NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6482 | 1j5h | 5343 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 10.831 9.270 -9.602 2 HA ALA 1 HA ALA 1 10.731 9.597 -6.726 3 1HB ALA 1 1HB ALA 1 9.110 7.446 -7.470 4 2HB ALA 1 2HB ALA 1 8.586 9.133 -7.248 5 3HB ALA 1 3HB ALA 1 9.031 8.545 -8.869 6 H ALA 2 H ALA 2 13.012 8.941 -6.380 7 HA ALA 2 HA ALA 2 13.728 6.250 -7.059 8 1HB ALA 2 1HB ALA 2 15.029 8.670 -6.299 9 2HB ALA 2 2HB ALA 2 15.439 7.445 -5.073 10 3HB ALA 2 3HB ALA 2 15.775 7.131 -6.793 11 HA PRO 3 HA PRO 3 13.020 5.759 -2.413 12 1HB PRO 3 1HB PRO 3 11.953 7.807 -0.954 13 2HB PRO 3 2HB PRO 3 13.686 7.503 -1.064 14 1HG PRO 3 1HG PRO 3 12.033 9.555 -2.390 15 2HG PRO 3 2HG PRO 3 13.813 9.547 -2.125 16 1HD PRO 3 1HD PRO 3 12.371 9.036 -4.546 17 2HD PRO 3 2HD PRO 3 14.113 8.860 -4.298 18 H THR 4 H THR 4 11.546 4.204 -2.870 19 HA THR 4 HA THR 4 8.950 4.625 -1.981 20 HB THR 4 HB THR 4 8.128 4.328 -4.611 21 HG1 THR 4 1HG THR 4 9.486 5.883 -5.754 22 1HG2 THR 4 1HG2 THR 4 8.464 7.169 -4.092 23 2HG2 THR 4 2HG2 THR 4 6.965 6.213 -4.054 24 3HG2 THR 4 3HG2 THR 4 7.966 6.359 -2.589 25 H ALA 5 H ALA 5 7.720 2.706 -1.959 26 HA ALA 5 HA ALA 5 9.352 0.376 -2.630 27 1HB ALA 5 1HB ALA 5 7.042 0.893 -0.733 28 2HB ALA 5 2HB ALA 5 7.595 -0.753 -1.126 29 3HB ALA 5 3HB ALA 5 8.704 0.396 -0.341 30 H THR 6 H THR 6 8.276 -1.516 -3.630 31 HA THR 6 HA THR 6 5.758 -1.013 -4.958 32 HB THR 6 HB THR 6 6.658 -1.151 -7.208 33 HG1 THR 6 1HG THR 6 8.987 -1.612 -7.390 34 1HG2 THR 6 1HG2 THR 6 8.281 0.708 -7.341 35 2HG2 THR 6 2HG2 THR 6 7.029 1.118 -6.145 36 3HG2 THR 6 3HG2 THR 6 8.629 0.559 -5.602 37 H VAL 7 H VAL 7 4.885 -2.948 -6.000 38 HA VAL 7 HA VAL 7 6.040 -5.340 -4.750 39 HB VAL 7 HB VAL 7 3.202 -5.022 -5.698 40 1HG1 VAL 7 1HG1 VAL 7 2.920 -7.083 -4.884 41 2HG1 VAL 7 2HG1 VAL 7 4.683 -7.172 -4.660 42 3HG1 VAL 7 3HG1 VAL 7 3.644 -6.627 -3.323 43 1HG2 VAL 7 1HG2 VAL 7 3.244 -4.736 -2.888 44 2HG2 VAL 7 2HG2 VAL 7 4.454 -3.595 -3.523 45 3HG2 VAL 7 3HG2 VAL 7 2.772 -3.524 -4.103 46 H THR 8 H THR 8 6.554 -7.110 -6.019 47 HA THR 8 HA THR 8 7.349 -6.868 -8.557 48 HB THR 8 HB THR 8 6.442 -9.078 -6.778 49 HG1 THR 8 1HG THR 8 8.530 -8.753 -8.812 50 1HG2 THR 8 1HG2 THR 8 7.051 -10.596 -8.928 51 2HG2 THR 8 2HG2 THR 8 5.365 -10.167 -8.552 52 3HG2 THR 8 3HG2 THR 8 6.262 -9.252 -9.786 53 HA PRO 9 HA PRO 9 3.130 -7.848 -10.354 54 1HB PRO 9 1HB PRO 9 0.953 -8.191 -8.739 55 2HB PRO 9 2HB PRO 9 1.926 -9.530 -9.343 56 1HG PRO 9 1HG PRO 9 1.864 -8.286 -6.668 57 2HG PRO 9 2HG PRO 9 2.474 -9.914 -7.135 58 1HD PRO 9 1HD PRO 9 3.979 -7.564 -6.491 59 2HD PRO 9 2HD PRO 9 4.622 -9.095 -7.101 60 H SER 10 H SER 10 0.908 -6.737 -10.781 61 HA SER 10 HA SER 10 0.692 -4.282 -9.367 62 1HB SER 10 1HB SER 10 2.505 -4.215 -11.412 63 2HB SER 10 2HB SER 10 1.026 -3.767 -12.282 64 HG SER 10 HG SER 10 2.558 -2.305 -10.488 65 H SER 11 H SER 11 -0.737 -6.865 -10.403 66 HA SER 11 HA SER 11 -3.242 -5.932 -10.507 67 1HB SER 11 1HB SER 11 -3.792 -6.154 -12.998 68 2HB SER 11 2HB SER 11 -2.932 -4.681 -12.515 69 HG SER 11 HG SER 11 -1.117 -5.360 -13.537 70 H GLY 12 H GLY 12 -4.836 -7.662 -11.223 71 1HA GLY 12 1HA GLY 12 -5.489 -9.806 -11.414 72 2HA GLY 12 2HA GLY 12 -3.962 -10.160 -12.199 73 H LEU 13 H LEU 13 -4.335 -8.771 -8.900 74 HA LEU 13 HA LEU 13 -2.869 -11.073 -7.885 75 1HB LEU 13 1HB LEU 13 -3.575 -8.519 -6.462 76 2HB LEU 13 2HB LEU 13 -2.360 -9.722 -5.998 77 HG LEU 13 HG LEU 13 -2.257 -7.570 -8.072 78 1HD1 LEU 13 1HD1 LEU 13 -1.254 -7.363 -5.775 79 2HD1 LEU 13 2HD1 LEU 13 -0.104 -8.643 -6.235 80 3HD1 LEU 13 3HD1 LEU 13 -0.123 -7.101 -7.125 81 1HD2 LEU 13 1HD2 LEU 13 -1.834 -9.967 -9.075 82 2HD2 LEU 13 2HD2 LEU 13 -0.777 -8.597 -9.488 83 3HD2 LEU 13 3HD2 LEU 13 -0.257 -9.787 -8.271 84 H SER 14 H SER 14 -3.961 -10.469 -5.115 85 HA SER 14 HA SER 14 -6.716 -11.214 -5.404 86 1HB SER 14 1HB SER 14 -5.155 -13.322 -5.468 87 2HB SER 14 2HB SER 14 -4.982 -13.042 -3.727 88 HG SER 14 HG SER 14 -6.715 -14.477 -4.046 89 H ASP 15 H ASP 15 -7.711 -11.487 -3.066 90 HA ASP 15 HA ASP 15 -7.124 -9.170 -1.682 91 1HB ASP 15 1HB ASP 15 -8.676 -10.037 0.021 92 2HB ASP 15 2HB ASP 15 -9.314 -10.338 -1.603 93 HD2 ASP 15 HD2 ASP 15 -8.603 -13.833 -1.166 94 H GLY 16 H GLY 16 -4.930 -9.066 -0.943 95 1HA GLY 16 1HA GLY 16 -3.537 -9.323 0.905 96 2HA GLY 16 2HA GLY 16 -4.281 -10.866 1.275 97 H THR 17 H THR 17 -3.160 -9.819 -1.981 98 HA THR 17 HA THR 17 -1.713 -12.222 -2.352 99 HB THR 17 HB THR 17 -2.280 -9.660 -3.826 100 HG1 THR 17 1HG THR 17 -2.079 -12.498 -4.536 101 1HG2 THR 17 1HG2 THR 17 -0.769 -10.848 -5.689 102 2HG2 THR 17 2HG2 THR 17 -0.038 -9.686 -4.557 103 3HG2 THR 17 3HG2 THR 17 0.135 -11.435 -4.273 104 H VAL 18 H VAL 18 -0.355 -12.325 -0.449 105 HA VAL 18 HA VAL 18 1.619 -10.320 -0.047 106 HB VAL 18 HB VAL 18 1.645 -13.164 0.957 107 1HG1 VAL 18 1HG1 VAL 18 3.123 -10.696 1.549 108 2HG1 VAL 18 2HG1 VAL 18 2.443 -11.481 2.994 109 3HG1 VAL 18 3HG1 VAL 18 3.525 -12.391 1.913 110 1HG2 VAL 18 1HG2 VAL 18 -0.483 -12.651 1.639 111 2HG2 VAL 18 2HG2 VAL 18 0.434 -11.931 2.982 112 3HG2 VAL 18 3HG2 VAL 18 -0.176 -10.899 1.667 113 H VAL 19 H VAL 19 2.892 -9.948 -1.854 114 HA VAL 19 HA VAL 19 4.404 -12.291 -2.786 115 HB VAL 19 HB VAL 19 4.535 -11.157 -4.965 116 1HG1 VAL 19 1HG1 VAL 19 2.898 -12.760 -5.069 117 2HG1 VAL 19 2HG1 VAL 19 1.935 -12.024 -3.765 118 3HG1 VAL 19 3HG1 VAL 19 1.915 -11.313 -5.398 119 1HG2 VAL 19 1HG2 VAL 19 3.311 -8.977 -3.467 120 2HG2 VAL 19 2HG2 VAL 19 4.134 -8.959 -5.045 121 3HG2 VAL 19 3HG2 VAL 19 2.402 -9.360 -4.950 122 H LYS 20 H LYS 20 6.495 -11.287 -4.056 123 HA LYS 20 HA LYS 20 8.040 -10.164 -1.988 124 1HB LYS 20 1HB LYS 20 8.572 -11.640 -4.167 125 2HB LYS 20 2HB LYS 20 9.033 -10.043 -4.785 126 1HG LYS 20 1HG LYS 20 10.351 -9.783 -2.570 127 2HG LYS 20 2HG LYS 20 10.127 -11.529 -2.365 128 1HD LYS 20 1HD LYS 20 11.995 -11.765 -3.616 129 2HD LYS 20 2HD LYS 20 11.011 -11.288 -5.011 130 1HE LYS 20 1HE LYS 20 11.628 -8.934 -4.666 131 2HE LYS 20 2HE LYS 20 12.536 -9.350 -3.205 132 1HZ LYS 20 1HZ LYS 20 13.480 -10.967 -5.197 133 2HZ LYS 20 2HZ LYS 20 13.342 -9.492 -5.885 134 3HZ LYS 20 3HZ LYS 20 14.240 -9.683 -4.535 135 H VAL 21 H VAL 21 8.810 -8.070 -1.648 136 HA VAL 21 HA VAL 21 7.962 -6.027 -3.536 137 HB VAL 21 HB VAL 21 7.176 -6.132 -0.621 138 1HG1 VAL 21 1HG1 VAL 21 7.196 -3.906 -0.525 139 2HG1 VAL 21 2HG1 VAL 21 7.887 -3.842 -2.164 140 3HG1 VAL 21 3HG1 VAL 21 6.121 -3.823 -1.942 141 1HG2 VAL 21 1HG2 VAL 21 4.944 -5.455 -2.053 142 2HG2 VAL 21 2HG2 VAL 21 5.778 -6.544 -3.189 143 3HG2 VAL 21 3HG2 VAL 21 5.369 -7.109 -1.552 144 H ALA 22 H ALA 22 9.368 -4.253 -3.599 145 HA ALA 22 HA ALA 22 11.432 -4.108 -1.560 146 1HB ALA 22 1HB ALA 22 11.909 -5.565 -3.861 147 2HB ALA 22 2HB ALA 22 12.520 -3.950 -4.298 148 3HB ALA 22 3HB ALA 22 13.158 -4.785 -2.860 149 H GLY 23 H GLY 23 12.571 -2.025 -1.610 150 1HA GLY 23 1HA GLY 23 12.841 0.117 -2.644 151 2HA GLY 23 2HA GLY 23 11.204 0.008 -3.261 152 H ALA 24 H ALA 24 11.789 2.295 -1.914 153 HA ALA 24 HA ALA 24 9.897 2.768 -0.175 154 1HB ALA 24 1HB ALA 24 10.201 1.161 1.440 155 2HB ALA 24 2HB ALA 24 11.956 1.054 1.159 156 3HB ALA 24 3HB ALA 24 11.285 2.408 2.100 157 H GLY 25 H GLY 25 11.146 4.196 1.970 158 1HA GLY 25 1HA GLY 25 11.933 6.532 0.691 159 2HA GLY 25 2HA GLY 25 12.188 6.142 2.380 160 H LEU 26 H LEU 26 13.661 3.594 0.914 161 HA LEU 26 HA LEU 26 15.777 3.017 0.648 162 1HB LEU 26 1HB LEU 26 15.542 3.970 -1.480 163 2HB LEU 26 2HB LEU 26 15.726 5.622 -0.862 164 HG LEU 26 HG LEU 26 18.101 4.323 -0.158 165 1HD1 LEU 26 1HD1 LEU 26 18.270 2.547 -1.505 166 2HD1 LEU 26 2HD1 LEU 26 16.942 3.093 -2.557 167 3HD1 LEU 26 3HD1 LEU 26 18.586 3.734 -2.793 168 1HD2 LEU 26 1HD2 LEU 26 18.548 6.425 -0.792 169 2HD2 LEU 26 2HD2 LEU 26 18.763 5.720 -2.412 170 3HD2 LEU 26 3HD2 LEU 26 17.210 6.466 -1.966 171 H GLN 27 H GLN 27 15.538 3.536 3.169 172 HA GLN 27 HA GLN 27 17.241 5.718 3.926 173 1HB GLN 27 1HB GLN 27 15.402 3.808 5.311 174 2HB GLN 27 2HB GLN 27 16.726 4.484 6.276 175 1HG GLN 27 1HG GLN 27 15.045 6.314 4.563 176 2HG GLN 27 2HG GLN 27 14.385 5.740 6.102 177 1HE2 GLN 27 1HE2 GLN 27 15.492 8.361 4.931 178 2HE2 GLN 27 2HE2 GLN 27 16.553 8.974 6.156 179 H ALA 28 H ALA 28 17.329 2.689 5.761 180 HA ALA 28 HA ALA 28 19.493 1.435 4.624 181 1HB ALA 28 1HB ALA 28 20.749 2.776 6.910 182 2HB ALA 28 2HB ALA 28 21.362 2.529 5.258 183 3HB ALA 28 3HB ALA 28 20.304 3.914 5.615 184 H GLY 29 H GLY 29 18.310 -0.374 5.319 185 1HA GLY 29 1HA GLY 29 17.621 -1.976 6.735 186 2HA GLY 29 2HA GLY 29 18.919 -1.458 7.793 187 H THR 30 H THR 30 16.583 1.012 6.961 188 HA THR 30 HA THR 30 15.701 1.091 9.709 189 HB THR 30 HB THR 30 15.240 2.825 7.229 190 HG1 THR 30 1HG THR 30 16.666 4.181 8.636 191 1HG2 THR 30 1HG2 THR 30 14.304 3.123 10.122 192 2HG2 THR 30 2HG2 THR 30 14.540 4.529 9.056 193 3HG2 THR 30 3HG2 THR 30 13.331 3.289 8.641 194 H ALA 31 H ALA 31 13.337 1.416 10.215 195 HA ALA 31 HA ALA 31 11.924 -0.807 9.047 196 1HB ALA 31 1HB ALA 31 10.295 -0.324 10.837 197 2HB ALA 31 2HB ALA 31 11.950 -0.407 11.486 198 3HB ALA 31 3HB ALA 31 11.170 1.173 11.236 199 H TYR 32 H TYR 32 9.925 -0.684 7.915 200 HA TYR 32 HA TYR 32 9.026 1.986 7.164 201 1HB TYR 32 1HB TYR 32 10.160 -0.276 5.459 202 2HB TYR 32 2HB TYR 32 8.931 0.779 4.750 203 HD1 TYR 32 1HD TYR 32 9.851 3.361 6.136 204 HD2 TYR 32 2HD TYR 32 11.988 0.299 4.049 205 HE1 TYR 32 1HE TYR 32 11.665 5.035 5.525 206 HE2 TYR 32 2HE TYR 32 13.794 1.982 3.444 207 HH TYR 32 HH TYR 32 13.881 4.497 3.144 208 H ASP 33 H ASP 33 7.287 1.259 8.684 209 HA ASP 33 HA ASP 33 5.817 -0.951 8.498 210 1HB ASP 33 1HB ASP 33 5.506 1.678 9.544 211 2HB ASP 33 2HB ASP 33 4.005 1.324 8.675 212 HD2 ASP 33 HD2 ASP 33 2.885 -0.538 11.297 213 H VAL 34 H VAL 34 4.747 -1.926 6.773 214 HA VAL 34 HA VAL 34 4.460 -0.702 4.296 215 HB VAL 34 HB VAL 34 3.132 -3.108 5.550 216 1HG1 VAL 34 1HG1 VAL 34 3.158 -2.274 2.628 217 2HG1 VAL 34 2HG1 VAL 34 2.532 -3.812 3.273 218 3HG1 VAL 34 3HG1 VAL 34 1.741 -2.277 3.706 219 1HG2 VAL 34 1HG2 VAL 34 5.675 -3.013 5.212 220 2HG2 VAL 34 2HG2 VAL 34 4.808 -4.407 4.524 221 3HG2 VAL 34 3HG2 VAL 34 5.324 -3.071 3.468 222 H GLY 35 H GLY 35 2.503 -0.060 3.132 223 1HA GLY 35 1HA GLY 35 0.226 0.655 4.847 224 2HA GLY 35 2HA GLY 35 1.055 1.923 3.966 225 H GLN 36 H GLN 36 -1.740 1.040 3.632 226 HA GLN 36 HA GLN 36 -1.570 0.549 0.799 227 1HB GLN 36 1HB GLN 36 -2.549 -1.411 2.764 228 2HB GLN 36 2HB GLN 36 -3.731 -1.068 1.489 229 1HG GLN 36 1HG GLN 36 -1.332 -1.291 0.092 230 2HG GLN 36 2HG GLN 36 -1.159 -2.518 1.354 231 1HE2 GLN 36 1HE2 GLN 36 -3.517 -1.222 -0.974 232 2HE2 GLN 36 2HE2 GLN 36 -4.222 -2.733 -1.443 233 H CYS 37 H CYS 37 -2.816 2.077 -0.185 234 HA CYS 37 HA CYS 37 -5.150 3.018 1.320 235 1HB CYS 37 1HB CYS 37 -3.471 4.693 -0.531 236 2HB CYS 37 2HB CYS 37 -4.808 5.236 0.498 237 H ALA 38 H ALA 38 -6.595 4.340 -0.493 238 HA ALA 38 HA ALA 38 -6.656 2.656 -2.897 239 1HB ALA 38 1HB ALA 38 -9.205 3.637 -1.646 240 2HB ALA 38 2HB ALA 38 -8.905 2.184 -2.629 241 3HB ALA 38 3HB ALA 38 -8.393 2.227 -0.924 242 H TRP 39 H TRP 39 -6.072 4.017 -4.523 243 HA TRP 39 HA TRP 39 -6.756 6.822 -4.312 244 1HB TRP 39 1HB TRP 39 -4.589 6.521 -5.040 245 2HB TRP 39 2HB TRP 39 -5.004 5.172 -6.100 246 HD1 TRP 39 HD TRP 39 -5.241 9.042 -5.991 247 HE1 TRP 39 1HE TRP 39 -5.470 10.041 -8.422 248 HE3 TRP 39 3HE TRP 39 -5.699 4.564 -8.354 249 HZ2 TRP 39 2HZ TRP 39 -5.809 8.872 -11.003 250 HZ3 TRP 39 3HZ TRP 39 -5.976 4.580 -10.831 251 HH2 TRP 39 HH TRP 39 -6.034 6.638 -12.150 252 H VAL 40 H VAL 40 -8.796 7.422 -4.913 253 HA VAL 40 HA VAL 40 -10.111 5.822 -6.978 254 HB VAL 40 HB VAL 40 -11.152 7.778 -4.922 255 1HG1 VAL 40 1HG1 VAL 40 -12.303 7.103 -7.412 256 2HG1 VAL 40 2HG1 VAL 40 -13.202 6.183 -6.182 257 3HG1 VAL 40 3HG1 VAL 40 -13.069 7.953 -6.048 258 1HG2 VAL 40 1HG2 VAL 40 -11.828 4.845 -5.119 259 2HG2 VAL 40 2HG2 VAL 40 -10.367 5.395 -4.263 260 3HG2 VAL 40 3HG2 VAL 40 -11.973 5.944 -3.726 261 H ASP 41 H ASP 41 -11.309 9.034 -6.401 262 HA ASP 41 HA ASP 41 -10.557 9.711 -9.084 263 1HB ASP 41 1HB ASP 41 -12.847 10.101 -7.819 264 2HB ASP 41 2HB ASP 41 -12.044 11.547 -7.187 265 HD2 ASP 41 HD2 ASP 41 -13.859 12.208 -10.334 266 H THR 42 H THR 42 -8.340 9.545 -7.254 267 HA THR 42 HA THR 42 -6.538 10.679 -6.616 268 HB THR 42 HB THR 42 -7.878 12.586 -8.543 269 HG1 THR 42 1HG THR 42 -5.889 11.983 -9.622 270 1HG2 THR 42 1HG2 THR 42 -6.742 13.989 -6.693 271 2HG2 THR 42 2HG2 THR 42 -5.224 13.179 -7.146 272 3HG2 THR 42 3HG2 THR 42 -6.077 14.198 -8.331 273 H GLY 43 H GLY 43 -9.147 13.202 -6.498 274 1HA GLY 43 1HA GLY 43 -8.247 14.299 -4.072 275 2HA GLY 43 2HA GLY 43 -9.824 14.516 -4.805 276 H VAL 44 H VAL 44 -9.875 11.307 -4.765 277 HA VAL 44 HA VAL 44 -10.769 11.171 -1.968 278 HB VAL 44 HB VAL 44 -11.840 9.493 -4.224 279 1HG1 VAL 44 1HG1 VAL 44 -13.036 8.565 -2.589 280 2HG1 VAL 44 2HG1 VAL 44 -12.280 9.651 -1.398 281 3HG1 VAL 44 3HG1 VAL 44 -13.771 10.148 -2.233 282 1HG2 VAL 44 1HG2 VAL 44 -13.029 12.130 -3.306 283 2HG2 VAL 44 2HG2 VAL 44 -12.081 11.921 -4.798 284 3HG2 VAL 44 3HG2 VAL 44 -13.626 11.061 -4.597 285 H LEU 45 H LEU 45 -8.860 10.376 -1.053 286 HA LEU 45 HA LEU 45 -8.039 7.756 -2.103 287 1HB LEU 45 1HB LEU 45 -6.387 9.471 -2.576 288 2HB LEU 45 2HB LEU 45 -6.304 9.894 -0.857 289 HG LEU 45 HG LEU 45 -5.754 7.063 -1.591 290 1HD1 LEU 45 1HD1 LEU 45 -4.348 9.265 -2.851 291 2HD1 LEU 45 2HD1 LEU 45 -3.257 8.286 -1.840 292 3HD1 LEU 45 3HD1 LEU 45 -4.212 7.512 -3.127 293 1HD2 LEU 45 1HD2 LEU 45 -3.765 7.979 0.081 294 2HD2 LEU 45 2HD2 LEU 45 -5.176 8.946 0.575 295 3HD2 LEU 45 3HD2 LEU 45 -5.267 7.167 0.585 296 H ALA 46 H ALA 46 -8.905 6.252 -0.768 297 HA ALA 46 HA ALA 46 -9.151 6.921 2.057 298 1HB ALA 46 1HB ALA 46 -10.766 5.571 0.195 299 2HB ALA 46 2HB ALA 46 -10.109 4.288 1.241 300 3HB ALA 46 3HB ALA 46 -11.006 5.649 1.958 301 H CYS 47 H CYS 47 -7.203 6.657 3.091 302 HA CYS 47 HA CYS 47 -5.397 4.620 2.292 303 1HB CYS 47 1HB CYS 47 -5.452 6.855 4.159 304 2HB CYS 47 2HB CYS 47 -4.577 5.450 4.793 305 H ASN 48 H ASN 48 -4.675 2.833 3.783 306 HA ASN 48 HA ASN 48 -6.953 1.913 5.350 307 1HB ASN 48 1HB ASN 48 -6.153 0.575 3.279 308 2HB ASN 48 2HB ASN 48 -4.717 0.161 4.226 309 1HD2 ASN 48 1HD2 ASN 48 -8.237 0.418 4.745 310 2HD2 ASN 48 2HD2 ASN 48 -8.457 -1.116 5.517 311 HA PRO 49 HA PRO 49 -3.645 2.550 8.355 312 1HB PRO 49 1HB PRO 49 -5.248 3.300 10.436 313 2HB PRO 49 2HB PRO 49 -4.542 4.449 9.300 314 1HG PRO 49 1HG PRO 49 -7.299 3.416 9.487 315 2HG PRO 49 2HG PRO 49 -6.712 4.907 8.667 316 1HD PRO 49 1HD PRO 49 -7.512 2.423 7.488 317 2HD PRO 49 2HD PRO 49 -6.789 3.805 6.651 318 H ALA 50 H ALA 50 -4.534 0.031 7.550 319 HA ALA 50 HA ALA 50 -4.469 -1.250 10.184 320 1HB ALA 50 1HB ALA 50 -5.999 -2.980 8.696 321 2HB ALA 50 2HB ALA 50 -6.651 -1.782 9.840 322 3HB ALA 50 3HB ALA 50 -6.571 -1.402 8.102 323 H ASP 51 H ASP 51 -2.899 -0.607 7.371 324 HA ASP 51 HA ASP 51 -2.231 -2.881 6.157 325 1HB ASP 51 1HB ASP 51 0.171 -1.823 6.076 326 2HB ASP 51 2HB ASP 51 -1.177 -0.954 5.325 327 HD2 ASP 51 HD2 ASP 51 0.523 0.573 8.578 328 H PHE 52 H PHE 52 -0.579 -1.470 9.092 329 HA PHE 52 HA PHE 52 0.476 -2.407 10.788 330 1HB PHE 52 1HB PHE 52 -1.480 -4.321 9.903 331 2HB PHE 52 2HB PHE 52 -0.004 -5.248 10.198 332 HD1 PHE 52 1HD PHE 52 -1.779 -2.423 11.897 333 HD2 PHE 52 2HD PHE 52 0.019 -6.250 12.261 334 HE1 PHE 52 1HE PHE 52 -2.295 -2.432 14.354 335 HE2 PHE 52 2HE PHE 52 -0.499 -6.259 14.717 336 HZ PHE 52 HZ PHE 52 -1.649 -4.350 15.734 337 H SER 53 H SER 53 0.686 -4.682 7.953 338 HA SER 53 HA SER 53 2.945 -5.897 8.301 339 1HB SER 53 1HB SER 53 1.790 -4.552 5.890 340 2HB SER 53 2HB SER 53 3.435 -5.196 5.738 341 HG SER 53 HG SER 53 1.079 -6.524 5.618 342 H SER 54 H SER 54 5.262 -5.543 7.940 343 HA SER 54 HA SER 54 6.036 -2.762 7.755 344 1HB SER 54 1HB SER 54 7.673 -3.112 9.649 345 2HB SER 54 2HB SER 54 5.973 -3.082 10.147 346 HG SER 54 HG SER 54 7.862 -5.181 10.192 347 H VAL 55 H VAL 55 7.874 -2.505 6.484 348 HA VAL 55 HA VAL 55 9.294 -4.987 5.796 349 HB VAL 55 HB VAL 55 7.834 -3.905 4.036 350 1HG1 VAL 55 1HG1 VAL 55 9.978 -1.767 4.229 351 2HG1 VAL 55 2HG1 VAL 55 8.873 -1.951 2.847 352 3HG1 VAL 55 3HG1 VAL 55 8.224 -1.572 4.460 353 1HG2 VAL 55 1HG2 VAL 55 9.771 -3.978 2.295 354 2HG2 VAL 55 2HG2 VAL 55 10.773 -4.468 3.682 355 3HG2 VAL 55 3HG2 VAL 55 9.366 -5.451 3.208 356 H THR 56 H THR 56 11.586 -4.895 5.639 357 HA THR 56 HA THR 56 12.720 -2.555 7.014 358 HB THR 56 HB THR 56 13.380 -5.522 6.895 359 HG1 THR 56 1HG THR 56 13.231 -3.415 8.934 360 1HG2 THR 56 1HG2 THR 56 15.595 -4.641 6.642 361 2HG2 THR 56 2HG2 THR 56 15.210 -3.186 7.593 362 3HG2 THR 56 3HG2 THR 56 15.381 -4.762 8.404 363 H ALA 57 H ALA 57 14.591 -1.529 6.242 364 HA ALA 57 HA ALA 57 14.784 -1.611 3.379 365 1HB ALA 57 1HB ALA 57 15.075 0.561 3.958 366 2HB ALA 57 2HB ALA 57 15.577 0.148 5.616 367 3HB ALA 57 3HB ALA 57 16.759 0.087 4.286 368 H ASP 58 H ASP 58 17.056 -1.640 2.352 369 HA ASP 58 HA ASP 58 18.656 -3.636 3.750 370 1HB ASP 58 1HB ASP 58 19.284 -4.385 1.351 371 2HB ASP 58 2HB ASP 58 17.690 -4.854 1.959 372 HD2 ASP 58 HD2 ASP 58 16.693 -3.678 -1.136 373 H ALA 59 H ALA 59 20.729 -2.834 4.121 374 HA ALA 59 HA ALA 59 22.292 -1.187 4.140 375 1HB ALA 59 1HB ALA 59 23.402 -1.420 1.648 376 2HB ALA 59 2HB ALA 59 23.622 -2.605 2.958 377 3HB ALA 59 3HB ALA 59 22.387 -2.881 1.705 378 H ASN 60 H ASN 60 21.696 -0.809 0.633 379 HA ASN 60 HA ASN 60 21.977 1.772 0.422 380 1HB ASN 60 1HB ASN 60 20.902 -0.182 -1.185 381 2HB ASN 60 2HB ASN 60 19.481 0.848 -0.951 382 1HD2 ASN 60 1HD2 ASN 60 20.981 0.344 -3.361 383 2HD2 ASN 60 2HD2 ASN 60 21.597 1.857 -3.936 384 H GLY 61 H GLY 61 18.924 0.107 1.461 385 1HA GLY 61 1HA GLY 61 17.832 1.296 3.372 386 2HA GLY 61 2HA GLY 61 17.866 2.722 2.354 387 H SER 62 H SER 62 17.510 0.106 0.264 388 HA SER 62 HA SER 62 14.775 0.759 -0.132 389 1HB SER 62 1HB SER 62 15.564 0.305 -2.199 390 2HB SER 62 2HB SER 62 16.914 -0.662 -1.579 391 HG SER 62 HG SER 62 15.816 -2.412 -2.112 392 H ALA 63 H ALA 63 12.961 -0.447 0.457 393 HA ALA 63 HA ALA 63 13.265 -2.380 2.475 394 1HB ALA 63 1HB ALA 63 10.944 -2.293 2.593 395 2HB ALA 63 2HB ALA 63 11.306 -0.726 1.830 396 3HB ALA 63 3HB ALA 63 10.755 -2.095 0.834 397 H SER 64 H SER 64 12.448 -4.656 2.378 398 HA SER 64 HA SER 64 12.246 -5.850 -0.178 399 1HB SER 64 1HB SER 64 14.211 -7.392 0.141 400 2HB SER 64 2HB SER 64 14.663 -5.707 -0.177 401 HG SER 64 HG SER 64 14.956 -5.455 2.154 402 H THR 65 H THR 65 10.451 -7.068 0.337 403 HA THR 65 HA THR 65 10.612 -9.321 1.922 404 HB THR 65 HB THR 65 10.534 -7.018 3.542 405 HG1 THR 65 1HG THR 65 10.226 -8.748 5.114 406 1HG2 THR 65 1HG2 THR 65 7.910 -8.459 3.968 407 2HG2 THR 65 2HG2 THR 65 8.395 -6.828 4.492 408 3HG2 THR 65 3HG2 THR 65 7.947 -7.120 2.795 409 H SER 66 H SER 66 8.137 -9.937 2.659 410 HA SER 66 HA SER 66 6.740 -9.642 0.149 411 1HB SER 66 1HB SER 66 5.778 -11.372 2.421 412 2HB SER 66 2HB SER 66 5.624 -11.639 0.675 413 HG SER 66 HG SER 66 8.250 -11.593 1.181 414 H LEU 67 H LEU 67 4.971 -8.309 -0.071 415 HA LEU 67 HA LEU 67 3.763 -7.333 2.423 416 1HB LEU 67 1HB LEU 67 4.635 -5.992 -0.060 417 2HB LEU 67 2HB LEU 67 3.101 -5.440 0.638 418 HG LEU 67 HG LEU 67 4.162 -4.757 2.649 419 1HD1 LEU 67 1HD1 LEU 67 6.623 -6.215 1.657 420 2HD1 LEU 67 2HD1 LEU 67 6.602 -5.114 3.056 421 3HD1 LEU 67 3HD1 LEU 67 5.625 -6.602 3.079 422 1HD2 LEU 67 1HD2 LEU 67 4.695 -2.905 1.542 423 2HD2 LEU 67 2HD2 LEU 67 6.336 -3.570 1.359 424 3HD2 LEU 67 3HD2 LEU 67 5.126 -3.821 0.079 425 H THR 68 H THR 68 1.509 -7.328 2.603 426 HA THR 68 HA THR 68 0.185 -9.149 0.788 427 HB THR 68 HB THR 68 -0.109 -9.332 3.246 428 HG1 THR 68 1HG THR 68 -2.060 -9.912 2.339 429 1HG2 THR 68 1HG2 THR 68 -0.099 -6.558 3.299 430 2HG2 THR 68 2HG2 THR 68 -1.841 -6.912 3.384 431 3HG2 THR 68 3HG2 THR 68 -0.737 -7.580 4.609 432 H VAL 69 H VAL 69 -0.544 -8.462 -1.124 433 HA VAL 69 HA VAL 69 -1.283 -5.687 -1.419 434 HB VAL 69 HB VAL 69 -1.488 -7.894 -3.461 435 1HG1 VAL 69 1HG1 VAL 69 -1.675 -4.952 -3.466 436 2HG1 VAL 69 2HG1 VAL 69 -0.621 -5.623 -4.733 437 3HG1 VAL 69 3HG1 VAL 69 -2.317 -6.148 -4.617 438 1HG2 VAL 69 1HG2 VAL 69 0.958 -6.370 -3.691 439 2HG2 VAL 69 2HG2 VAL 69 0.870 -7.157 -2.097 440 3HG2 VAL 69 3HG2 VAL 69 0.728 -8.132 -3.579 441 H ARG 70 H ARG 70 -2.996 -6.202 0.391 442 HA ARG 70 HA ARG 70 -5.097 -7.740 0.191 443 1HB ARG 70 1HB ARG 70 -5.279 -4.744 0.749 444 2HB ARG 70 2HB ARG 70 -6.431 -5.965 1.315 445 1HG ARG 70 1HG ARG 70 -5.147 -6.340 3.124 446 2HG ARG 70 2HG ARG 70 -3.781 -6.795 2.089 447 1HD ARG 70 1HD ARG 70 -4.172 -3.899 2.116 448 2HD ARG 70 2HD ARG 70 -3.976 -4.518 3.762 449 HE ARG 70 HE ARG 70 -2.031 -5.556 1.814 450 1HH1 ARG 70 1HH1 ARG 70 -2.729 -3.049 4.181 451 2HH1 ARG 70 2HH1 ARG 70 -1.063 -2.642 4.431 452 1HH2 ARG 70 1HH2 ARG 70 0.166 -5.022 2.143 453 2HH2 ARG 70 2HH2 ARG 70 0.594 -3.772 3.264 454 H ARG 71 H ARG 71 -7.351 -7.505 -0.682 455 HA ARG 71 HA ARG 71 -7.255 -6.125 -3.240 456 1HB ARG 71 1HB ARG 71 -7.527 -8.537 -3.492 457 2HB ARG 71 2HB ARG 71 -8.867 -8.562 -2.332 458 1HG ARG 71 1HG ARG 71 -9.351 -6.648 -4.483 459 2HG ARG 71 2HG ARG 71 -9.040 -8.266 -5.138 460 1HD ARG 71 1HD ARG 71 -10.927 -7.942 -2.802 461 2HD ARG 71 2HD ARG 71 -11.502 -7.541 -4.429 462 HE ARG 71 HE ARG 71 -10.184 -10.102 -4.439 463 1HH1 ARG 71 1HH1 ARG 71 -13.168 -8.553 -3.401 464 2HH1 ARG 71 2HH1 ARG 71 -14.106 -10.006 -3.502 465 1HH2 ARG 71 1HH2 ARG 71 -11.421 -12.020 -4.571 466 2HH2 ARG 71 2HH2 ARG 71 -13.107 -11.990 -4.171 467 H SER 72 H SER 72 -9.712 -7.296 -0.807 468 HA SER 72 HA SER 72 -11.053 -4.734 -1.197 469 1HB SER 72 1HB SER 72 -13.166 -5.888 -0.652 470 2HB SER 72 2HB SER 72 -12.387 -6.619 -2.067 471 HG SER 72 HG SER 72 -13.252 -7.911 0.030 472 H PHE 73 H PHE 73 -11.885 -3.671 0.708 473 HA PHE 73 HA PHE 73 -11.893 -4.806 3.240 474 1HB PHE 73 1HB PHE 73 -9.835 -3.735 4.155 475 2HB PHE 73 2HB PHE 73 -9.393 -4.816 2.828 476 HD1 PHE 73 1HD PHE 73 -8.597 -3.905 0.717 477 HD2 PHE 73 2HD PHE 73 -9.637 -1.340 3.932 478 HE1 PHE 73 1HE PHE 73 -7.414 -2.005 -0.418 479 HE2 PHE 73 2HE PHE 73 -8.454 0.562 2.798 480 HZ PHE 73 HZ PHE 73 -7.357 0.207 0.637 481 H GLU 74 H GLU 74 -11.229 -2.562 4.843 482 HA GLU 74 HA GLU 74 -13.126 -0.631 3.757 483 1HB GLU 74 1HB GLU 74 -13.276 -0.040 6.335 484 2HB GLU 74 2HB GLU 74 -14.190 -1.407 5.674 485 1HG GLU 74 1HG GLU 74 -12.626 -2.991 6.519 486 2HG GLU 74 2HG GLU 74 -11.385 -1.759 6.797 487 HE2 GLU 74 HE2 GLU 74 -12.519 -1.340 10.000 488 H GLY 75 H GLY 75 -12.239 1.293 3.153 489 1HA GLY 75 1HA GLY 75 -9.705 2.088 4.456 490 2HA GLY 75 2HA GLY 75 -10.145 2.446 2.798 491 H PHE 76 H PHE 76 -9.402 4.598 4.261 492 HA PHE 76 HA PHE 76 -11.901 6.040 4.476 493 1HB PHE 76 1HB PHE 76 -10.940 4.954 6.747 494 2HB PHE 76 2HB PHE 76 -9.798 6.300 6.668 495 HD1 PHE 76 1HD PHE 76 -12.743 5.275 8.108 496 HD2 PHE 76 2HD PHE 76 -11.104 8.633 6.096 497 HE1 PHE 76 1HE PHE 76 -14.445 6.762 9.201 498 HE2 PHE 76 2HE PHE 76 -12.806 10.119 7.189 499 HZ PHE 76 HZ PHE 76 -14.457 9.166 8.728 500 H LEU 77 H LEU 77 -11.689 8.228 3.934 501 HA LEU 77 HA LEU 77 -9.587 8.984 2.361 502 1HB LEU 77 1HB LEU 77 -11.758 10.394 3.819 503 2HB LEU 77 2HB LEU 77 -10.462 11.370 3.102 504 HG LEU 77 HG LEU 77 -12.468 11.155 1.670 505 1HD1 LEU 77 1HD1 LEU 77 -10.716 9.763 -0.119 506 2HD1 LEU 77 2HD1 LEU 77 -11.085 11.502 -0.025 507 3HD1 LEU 77 3HD1 LEU 77 -9.752 10.823 0.939 508 1HD2 LEU 77 1HD2 LEU 77 -11.767 8.211 1.695 509 2HD2 LEU 77 2HD2 LEU 77 -13.276 8.981 2.237 510 3HD2 LEU 77 3HD2 LEU 77 -12.855 8.968 0.508 511 H PHE 78 H PHE 78 -10.181 10.373 5.666 512 HA PHE 78 HA PHE 78 -7.786 9.764 6.789 513 1HB PHE 78 1HB PHE 78 -6.888 11.027 4.761 514 2HB PHE 78 2HB PHE 78 -7.764 12.461 5.306 515 HD1 PHE 78 1HD PHE 78 -6.701 13.974 6.713 516 HD2 PHE 78 2HD PHE 78 -5.159 10.033 6.399 517 HE1 PHE 78 1HE PHE 78 -4.714 14.641 8.096 518 HE2 PHE 78 2HE PHE 78 -3.172 10.700 7.781 519 HZ PHE 78 HZ PHE 78 -2.974 12.995 8.612 520 H ASP 79 H ASP 79 -10.391 12.103 6.234 521 HA ASP 79 HA ASP 79 -11.115 12.205 8.851 522 1HB ASP 79 1HB ASP 79 -8.783 13.596 8.675 523 2HB ASP 79 2HB ASP 79 -9.920 14.896 8.285 524 HD2 ASP 79 HD2 ASP 79 -9.741 15.231 11.753 525 H GLY 80 H GLY 80 -12.544 11.950 6.544 526 1HA GLY 80 1HA GLY 80 -14.243 14.275 6.537 527 2HA GLY 80 2HA GLY 80 -13.358 14.058 5.041 528 H THR 81 H THR 81 -13.336 11.566 4.279 529 HA THR 81 HA THR 81 -16.057 10.511 4.672 530 HB THR 81 HB THR 81 -14.454 10.895 2.091 531 HG1 THR 81 1HG THR 81 -17.103 11.696 3.072 532 1HG2 THR 81 1HG2 THR 81 -17.151 9.528 2.590 533 2HG2 THR 81 2HG2 THR 81 -16.521 9.974 0.986 534 3HG2 THR 81 3HG2 THR 81 -15.685 8.741 1.959 535 H ARG 82 H ARG 82 -16.230 8.161 3.983 536 HA ARG 82 HA ARG 82 -13.699 6.838 4.512 537 1HB ARG 82 1HB ARG 82 -14.991 6.797 6.598 538 2HB ARG 82 2HB ARG 82 -16.416 6.170 5.751 539 1HG ARG 82 1HG ARG 82 -14.728 4.245 5.035 540 2HG ARG 82 2HG ARG 82 -13.835 4.774 6.472 541 1HD ARG 82 1HD ARG 82 -15.279 3.059 7.257 542 2HD ARG 82 2HD ARG 82 -16.101 4.555 7.727 543 HE ARG 82 HE ARG 82 -16.987 3.779 5.117 544 1HH1 ARG 82 1HH1 ARG 82 -17.252 2.755 8.474 545 2HH1 ARG 82 2HH1 ARG 82 -18.794 1.998 8.255 546 1HH2 ARG 82 1HH2 ARG 82 -19.022 2.782 4.828 547 2HH2 ARG 82 2HH2 ARG 82 -19.808 2.014 6.167 548 H TRP 83 H TRP 83 -13.328 4.987 3.230 549 HA TRP 83 HA TRP 83 -14.920 4.682 0.931 550 1HB TRP 83 1HB TRP 83 -12.376 3.978 1.739 551 2HB TRP 83 2HB TRP 83 -13.191 2.422 1.570 552 HD1 TRP 83 HD TRP 83 -10.890 3.689 -0.478 553 HE1 TRP 83 1HE TRP 83 -11.342 3.768 -3.076 554 HE3 TRP 83 3HE TRP 83 -15.952 3.349 -0.138 555 HZ2 TRP 83 2HZ TRP 83 -13.712 3.680 -4.663 556 HZ3 TRP 83 3HZ TRP 83 -17.260 3.352 -2.260 557 HH2 TRP 83 HH TRP 83 -16.221 3.511 -4.466 558 H GLY 84 H GLY 84 -14.085 2.029 3.253 559 1HA GLY 84 1HA GLY 84 -15.957 1.131 4.606 560 2HA GLY 84 2HA GLY 84 -16.923 1.195 3.145 561 H THR 85 H THR 85 -16.515 -1.221 4.595 562 HA THR 85 HA THR 85 -14.376 -2.740 3.543 563 HB THR 85 HB THR 85 -16.971 -3.258 5.034 564 HG1 THR 85 1HG THR 85 -15.407 -3.357 6.619 565 1HG2 THR 85 1HG2 THR 85 -15.404 -5.616 5.110 566 2HG2 THR 85 2HG2 THR 85 -16.997 -5.438 4.335 567 3HG2 THR 85 3HG2 THR 85 -15.512 -5.204 3.381 568 H VAL 86 H VAL 86 -14.682 -1.833 1.258 569 HA VAL 86 HA VAL 86 -16.426 -3.721 -0.164 570 HB VAL 86 HB VAL 86 -17.311 -1.383 -0.096 571 1HG1 VAL 86 1HG1 VAL 86 -15.120 -0.222 -0.146 572 2HG1 VAL 86 2HG1 VAL 86 -14.901 -0.748 -1.832 573 3HG1 VAL 86 3HG1 VAL 86 -16.232 0.356 -1.409 574 1HG2 VAL 86 1HG2 VAL 86 -17.634 -3.139 -1.980 575 2HG2 VAL 86 2HG2 VAL 86 -18.092 -1.449 -2.297 576 3HG2 VAL 86 3HG2 VAL 86 -16.555 -2.088 -2.930 577 H ASP 87 H ASP 87 -15.653 -3.799 -2.609 578 HA ASP 87 HA ASP 87 -13.071 -4.802 -2.518 579 1HB ASP 87 1HB ASP 87 -14.276 -3.879 -5.115 580 2HB ASP 87 2HB ASP 87 -13.422 -5.389 -4.762 581 HD2 ASP 87 HD2 ASP 87 -16.375 -7.036 -4.326 582 H CYS 88 H CYS 88 -11.062 -3.862 -3.157 583 HA CYS 88 HA CYS 88 -11.148 -0.984 -3.528 584 1HB CYS 88 1HB CYS 88 -9.560 -2.633 -2.004 585 2HB CYS 88 2HB CYS 88 -8.509 -2.227 -3.373 586 H THR 89 H THR 89 -10.661 -4.027 -5.205 587 HA THR 89 HA THR 89 -8.931 -3.316 -7.234 588 HB THR 89 HB THR 89 -9.687 -5.617 -6.845 589 HG1 THR 89 1HG THR 89 -10.394 -5.972 -9.128 590 1HG2 THR 89 1HG2 THR 89 -11.948 -6.353 -7.209 591 2HG2 THR 89 2HG2 THR 89 -12.113 -4.895 -6.203 592 3HG2 THR 89 3HG2 THR 89 -12.411 -4.805 -7.955 593 H THR 90 H THR 90 -12.182 -2.181 -6.598 594 HA THR 90 HA THR 90 -12.635 -1.322 -9.305 595 HB THR 90 HB THR 90 -14.065 -1.491 -6.717 596 HG1 THR 90 1HG THR 90 -14.397 -2.599 -8.874 597 1HG2 THR 90 1HG2 THR 90 -14.813 0.746 -8.666 598 2HG2 THR 90 2HG2 THR 90 -15.621 0.332 -7.134 599 3HG2 THR 90 3HG2 THR 90 -13.994 1.055 -7.116 600 H ALA 91 H ALA 91 -10.950 -0.104 -6.495 601 HA ALA 91 HA ALA 91 -10.784 2.512 -7.831 602 1HB ALA 91 1HB ALA 91 -11.891 2.651 -5.657 603 2HB ALA 91 2HB ALA 91 -10.552 1.766 -4.887 604 3HB ALA 91 3HB ALA 91 -10.277 3.394 -5.552 605 H ALA 92 H ALA 92 -9.256 -0.192 -8.111 606 HA ALA 92 HA ALA 92 -7.135 -0.951 -8.023 607 1HB ALA 92 1HB ALA 92 -5.974 0.053 -9.745 608 2HB ALA 92 2HB ALA 92 -7.568 0.806 -9.992 609 3HB ALA 92 3HB ALA 92 -6.285 1.698 -9.141 610 H CYS 93 H CYS 93 -7.245 -0.750 -5.543 611 HA CYS 93 HA CYS 93 -6.233 1.370 -4.161 612 1HB CYS 93 1HB CYS 93 -6.763 -1.413 -3.687 613 2HB CYS 93 2HB CYS 93 -5.279 -0.926 -2.846 614 H GLN 94 H GLN 94 -3.943 0.928 -2.813 615 HA GLN 94 HA GLN 94 -1.921 0.040 -4.652 616 1HB GLN 94 1HB GLN 94 -0.627 2.163 -4.441 617 2HB GLN 94 2HB GLN 94 -2.151 2.377 -5.319 618 1HG GLN 94 1HG GLN 94 -2.047 2.823 -2.333 619 2HG GLN 94 2HG GLN 94 -1.454 4.088 -3.420 620 1HE2 GLN 94 1HE2 GLN 94 -3.212 5.290 -2.399 621 2HE2 GLN 94 2HE2 GLN 94 -4.811 5.194 -3.058 622 H VAL 95 H VAL 95 0.161 -0.341 -3.585 623 HA VAL 95 HA VAL 95 0.027 -0.139 -0.664 624 HB VAL 95 HB VAL 95 -0.633 -2.400 -1.399 625 1HG1 VAL 95 1HG1 VAL 95 1.427 -2.073 -3.290 626 2HG1 VAL 95 2HG1 VAL 95 1.984 -3.355 -2.188 627 3HG1 VAL 95 3HG1 VAL 95 0.419 -3.515 -3.021 628 1HG2 VAL 95 1HG2 VAL 95 0.694 -1.866 0.735 629 2HG2 VAL 95 2HG2 VAL 95 0.667 -3.560 0.187 630 3HG2 VAL 95 3HG2 VAL 95 2.100 -2.548 -0.116 631 H GLY 96 H GLY 96 1.751 0.959 0.107 632 1HA GLY 96 1HA GLY 96 4.294 0.738 -1.363 633 2HA GLY 96 2HA GLY 96 3.621 2.316 -1.008 634 H LEU 97 H LEU 97 5.909 2.299 0.119 635 HA LEU 97 HA LEU 97 5.918 0.917 2.649 636 1HB LEU 97 1HB LEU 97 8.098 1.161 2.559 637 2HB LEU 97 2HB LEU 97 7.854 1.690 0.885 638 HG LEU 97 HG LEU 97 9.370 3.183 2.025 639 1HD1 LEU 97 1HD1 LEU 97 8.495 4.743 0.713 640 2HD1 LEU 97 2HD1 LEU 97 6.873 4.024 0.853 641 3HD1 LEU 97 3HD1 LEU 97 7.426 5.214 2.056 642 1HD2 LEU 97 1HD2 LEU 97 9.137 4.013 4.107 643 2HD2 LEU 97 2HD2 LEU 97 7.381 4.256 3.935 644 3HD2 LEU 97 3HD2 LEU 97 8.024 2.638 4.308 645 H SER 98 H SER 98 5.831 1.903 4.716 646 HA SER 98 HA SER 98 5.064 4.701 4.682 647 1HB SER 98 1HB SER 98 3.256 2.564 5.100 648 2HB SER 98 2HB SER 98 3.549 3.257 6.706 649 HG SER 98 HG SER 98 2.684 5.185 6.069 650 H ASP 99 H ASP 99 5.865 5.877 6.463 651 HA ASP 99 HA ASP 99 7.644 4.342 8.150 652 1HB ASP 99 1HB ASP 99 7.818 7.122 8.740 653 2HB ASP 99 2HB ASP 99 8.988 6.139 7.846 654 HD2 ASP 99 HD2 ASP 99 7.867 7.398 4.782 655 H ALA 100 H ALA 100 7.814 5.563 10.515 656 HA ALA 100 HA ALA 100 5.198 5.259 11.657 657 1HB ALA 100 1HB ALA 100 6.890 4.321 12.967 658 2HB ALA 100 2HB ALA 100 8.014 5.666 12.662 659 3HB ALA 100 3HB ALA 100 6.635 5.892 13.764 660 H ALA 101 H ALA 101 6.319 7.657 9.821 661 HA ALA 101 HA ALA 101 5.321 9.769 11.607 662 1HB ALA 101 1HB ALA 101 6.833 11.244 10.641 663 2HB ALA 101 2HB ALA 101 7.767 9.729 10.594 664 3HB ALA 101 3HB ALA 101 6.941 10.311 9.129 665 H GLY 102 H GLY 102 4.647 7.763 8.914 666 1HA GLY 102 1HA GLY 102 2.886 7.715 7.511 667 2HA GLY 102 2HA GLY 102 2.178 9.055 8.393 668 H ASN 103 H ASN 103 5.339 8.855 6.623 669 HA ASN 103 HA ASN 103 5.303 11.337 5.621 670 1HB ASN 103 1HB ASN 103 6.688 10.341 3.687 671 2HB ASN 103 2HB ASN 103 7.270 9.973 5.317 672 1HD2 ASN 103 1HD2 ASN 103 7.842 8.522 2.955 673 2HD2 ASN 103 2HD2 ASN 103 7.202 6.920 3.106 674 H GLY 104 H GLY 104 5.290 11.589 2.913 675 1HA GLY 104 1HA GLY 104 2.747 11.897 2.078 676 2HA GLY 104 2HA GLY 104 4.085 11.558 0.998 677 HA PRO 105 HA PRO 105 1.065 8.040 1.028 678 1HB PRO 105 1HB PRO 105 -0.349 8.541 -1.254 679 2HB PRO 105 2HB PRO 105 -0.932 8.965 0.353 680 1HG PRO 105 1HG PRO 105 0.228 10.673 -1.754 681 2HG PRO 105 2HG PRO 105 -0.790 11.157 -0.350 682 1HD PRO 105 1HD PRO 105 2.035 11.475 -0.696 683 2HD PRO 105 2HD PRO 105 1.107 11.821 0.769 684 H GLU 106 H GLU 106 0.798 6.221 -0.593 685 HA GLU 106 HA GLU 106 3.387 5.939 -1.747 686 1HB GLU 106 1HB GLU 106 1.029 4.039 -1.985 687 2HB GLU 106 2HB GLU 106 2.749 3.642 -2.145 688 1HG GLU 106 1HG GLU 106 1.266 4.510 0.369 689 2HG GLU 106 2HG GLU 106 1.994 2.926 0.059 690 HE2 GLU 106 HE2 GLU 106 5.251 4.524 0.304 691 H GLY 107 H GLY 107 2.496 4.209 -4.003 692 1HA GLY 107 1HA GLY 107 0.848 5.715 -5.762 693 2HA GLY 107 2HA GLY 107 2.541 6.036 -6.078 694 H VAL 108 H VAL 108 1.429 2.918 -4.741 695 HA VAL 108 HA VAL 108 2.256 1.677 -7.266 696 HB VAL 108 HB VAL 108 2.380 0.899 -4.384 697 1HG1 VAL 108 1HG1 VAL 108 3.020 -1.463 -5.404 698 2HG1 VAL 108 2HG1 VAL 108 1.338 -1.058 -4.987 699 3HG1 VAL 108 3HG1 VAL 108 1.883 -0.961 -6.678 700 1HG2 VAL 108 1HG2 VAL 108 4.629 0.643 -4.756 701 2HG2 VAL 108 2HG2 VAL 108 4.409 0.154 -6.453 702 3HG2 VAL 108 3HG2 VAL 108 4.261 1.868 -5.994 703 H ALA 109 H ALA 109 0.142 2.242 -8.227 704 HA ALA 109 HA ALA 109 -2.220 1.166 -7.047 705 1HB ALA 109 1HB ALA 109 -1.555 3.058 -9.011 706 2HB ALA 109 2HB ALA 109 -2.366 1.749 -9.905 707 3HB ALA 109 3HB ALA 109 -3.192 2.540 -8.542 708 H ILE 110 H ILE 110 -2.369 -1.027 -6.819 709 HA ILE 110 HA ILE 110 -1.563 -2.631 -9.143 710 HB ILE 110 HB ILE 110 -1.644 -3.236 -6.194 711 1HG1 ILE 110 1HG1 ILE 110 0.453 -2.793 -8.249 712 2HG1 ILE 110 2HG1 ILE 110 0.431 -2.361 -6.530 713 1HG2 ILE 110 1HG2 ILE 110 -1.075 -5.255 -8.373 714 2HG2 ILE 110 2HG2 ILE 110 -1.217 -5.532 -6.620 715 3HG2 ILE 110 3HG2 ILE 110 -2.656 -5.092 -7.572 716 1HD1 ILE 110 1HD1 ILE 110 0.849 -4.702 -5.912 717 2HD1 ILE 110 2HD1 ILE 110 0.743 -5.197 -7.619 718 3HD1 ILE 110 3HD1 ILE 110 2.087 -4.165 -7.073 719 H SER 111 H SER 111 -3.021 -4.105 -10.047 720 HA SER 111 HA SER 111 -5.749 -3.483 -9.445 721 1HB SER 111 1HB SER 111 -4.556 -3.897 -11.776 722 2HB SER 111 2HB SER 111 -4.934 -5.595 -11.440 723 HG SER 111 HG SER 111 -6.586 -3.539 -12.275 724 H PHE 112 H PHE 112 -6.695 -4.536 -7.728 725 HA PHE 112 HA PHE 112 -5.740 -7.155 -6.991 726 1HB PHE 112 1HB PHE 112 -7.990 -5.329 -5.964 727 2HB PHE 112 2HB PHE 112 -7.382 -6.747 -5.103 728 HD1 PHE 112 1HD PHE 112 -4.462 -5.732 -6.283 729 HD2 PHE 112 2HD PHE 112 -7.491 -4.213 -3.729 730 HE1 PHE 112 1HE PHE 112 -2.764 -4.286 -5.129 731 HE2 PHE 112 2HE PHE 112 -5.793 -2.767 -2.575 732 HZ PHE 112 HZ PHE 112 -3.451 -2.821 -3.290 733 H ASN 113 H ASN 113 -6.988 -9.082 -6.970 734 HA ASN 113 HA ASN 113 -8.402 -9.736 -9.063 735 1HB ASN 113 1HB ASN 113 -7.799 -11.199 -7.060 736 2HB ASN 113 2HB ASN 113 -9.259 -10.606 -6.255 737 1HD2 ASN 113 1HD2 ASN 113 -10.019 -12.744 -6.172 738 2HD2 ASN 113 2HD2 ASN 113 -10.725 -13.526 -7.548 Start of MODEL 2 1 H ALA 1 H ALA 1 9.828 7.785 -8.520 2 HA ALA 1 HA ALA 1 11.420 9.320 -8.901 3 1HB ALA 1 1HB ALA 1 10.067 10.507 -6.761 4 2HB ALA 1 2HB ALA 1 11.759 10.436 -6.215 5 3HB ALA 1 3HB ALA 1 11.350 11.253 -7.743 6 H ALA 2 H ALA 2 11.409 7.520 -5.792 7 HA ALA 2 HA ALA 2 13.505 5.908 -6.327 8 1HB ALA 2 1HB ALA 2 15.362 7.172 -6.342 9 2HB ALA 2 2HB ALA 2 14.428 8.624 -5.911 10 3HB ALA 2 3HB ALA 2 15.058 7.560 -4.631 11 HA PRO 3 HA PRO 3 12.698 6.259 -1.685 12 1HB PRO 3 1HB PRO 3 11.355 8.410 -0.671 13 2HB PRO 3 2HB PRO 3 13.113 8.301 -0.704 14 1HG PRO 3 1HG PRO 3 11.277 9.839 -2.425 15 2HG PRO 3 2HG PRO 3 13.037 10.097 -2.150 16 1HD PRO 3 1HD PRO 3 11.742 8.952 -4.433 17 2HD PRO 3 2HD PRO 3 13.484 9.037 -4.141 18 H THR 4 H THR 4 11.359 4.653 -2.976 19 HA THR 4 HA THR 4 8.815 4.595 -1.699 20 HB THR 4 HB THR 4 7.680 4.527 -4.111 21 HG1 THR 4 1HG THR 4 10.017 6.284 -4.357 22 1HG2 THR 4 1HG2 THR 4 8.556 7.326 -3.462 23 2HG2 THR 4 2HG2 THR 4 6.919 6.696 -3.761 24 3HG2 THR 4 3HG2 THR 4 7.688 6.455 -2.174 25 H ALA 5 H ALA 5 7.760 2.556 -1.918 26 HA ALA 5 HA ALA 5 9.631 0.514 -2.860 27 1HB ALA 5 1HB ALA 5 8.154 -0.977 -1.427 28 2HB ALA 5 2HB ALA 5 9.045 0.284 -0.541 29 3HB ALA 5 3HB ALA 5 7.313 0.498 -0.893 30 H THR 6 H THR 6 8.460 -1.538 -3.746 31 HA THR 6 HA THR 6 5.993 -0.967 -5.139 32 HB THR 6 HB THR 6 6.917 -1.121 -7.358 33 HG1 THR 6 1HG THR 6 8.513 -2.695 -7.220 34 1HG2 THR 6 1HG2 THR 6 8.718 0.579 -7.463 35 2HG2 THR 6 2HG2 THR 6 7.475 1.102 -6.301 36 3HG2 THR 6 3HG2 THR 6 9.005 0.405 -5.715 37 H VAL 7 H VAL 7 5.087 -2.892 -6.189 38 HA VAL 7 HA VAL 7 5.987 -5.265 -4.737 39 HB VAL 7 HB VAL 7 3.397 -4.842 -6.226 40 1HG1 VAL 7 1HG1 VAL 7 3.102 -6.999 -5.725 41 2HG1 VAL 7 2HG1 VAL 7 4.585 -7.034 -4.740 42 3HG1 VAL 7 3HG1 VAL 7 3.042 -6.527 -4.010 43 1HG2 VAL 7 1HG2 VAL 7 4.186 -4.014 -3.437 44 2HG2 VAL 7 2HG2 VAL 7 3.279 -3.109 -4.672 45 3HG2 VAL 7 3HG2 VAL 7 2.504 -4.462 -3.813 46 H THR 8 H THR 8 7.177 -6.755 -5.799 47 HA THR 8 HA THR 8 8.221 -6.685 -8.197 48 HB THR 8 HB THR 8 7.247 -8.872 -6.413 49 HG1 THR 8 1HG THR 8 9.572 -9.381 -6.899 50 1HG2 THR 8 1HG2 THR 8 8.354 -10.466 -8.248 51 2HG2 THR 8 2HG2 THR 8 6.609 -10.123 -8.314 52 3HG2 THR 8 3HG2 THR 8 7.729 -9.246 -9.384 53 HA PRO 9 HA PRO 9 4.468 -8.250 -10.525 54 1HB PRO 9 1HB PRO 9 2.124 -8.793 -9.231 55 2HB PRO 9 2HB PRO 9 3.330 -10.025 -9.598 56 1HG PRO 9 1HG PRO 9 2.705 -8.682 -7.046 57 2HG PRO 9 2HG PRO 9 3.572 -10.237 -7.314 58 1HD PRO 9 1HD PRO 9 4.667 -7.687 -6.605 59 2HD PRO 9 2HD PRO 9 5.575 -9.149 -7.013 60 H SER 10 H SER 10 1.991 -7.112 -8.399 61 HA SER 10 HA SER 10 1.137 -5.070 -8.172 62 1HB SER 10 1HB SER 10 2.046 -3.141 -9.068 63 2HB SER 10 2HB SER 10 3.459 -4.213 -9.139 64 HG SER 10 HG SER 10 1.695 -3.373 -11.257 65 H SER 11 H SER 11 0.448 -7.426 -9.967 66 HA SER 11 HA SER 11 -1.862 -6.356 -11.047 67 1HB SER 11 1HB SER 11 -1.428 -6.696 -13.469 68 2HB SER 11 2HB SER 11 -0.428 -5.398 -12.790 69 HG SER 11 HG SER 11 1.365 -6.829 -12.756 70 H GLY 12 H GLY 12 -3.175 -8.092 -12.163 71 1HA GLY 12 1HA GLY 12 -3.983 -10.192 -12.159 72 2HA GLY 12 2HA GLY 12 -2.371 -10.671 -12.652 73 H LEU 13 H LEU 13 -3.410 -9.167 -9.527 74 HA LEU 13 HA LEU 13 -2.227 -11.477 -8.179 75 1HB LEU 13 1HB LEU 13 -2.960 -8.771 -7.078 76 2HB LEU 13 2HB LEU 13 -2.054 -10.048 -6.248 77 HG LEU 13 HG LEU 13 -1.148 -8.459 -8.665 78 1HD1 LEU 13 1HD1 LEU 13 0.017 -8.427 -5.876 79 2HD1 LEU 13 2HD1 LEU 13 0.370 -7.334 -7.235 80 3HD1 LEU 13 3HD1 LEU 13 -1.218 -7.273 -6.433 81 1HD2 LEU 13 1HD2 LEU 13 1.016 -9.843 -7.488 82 2HD2 LEU 13 2HD2 LEU 13 -0.294 -11.027 -7.706 83 3HD2 LEU 13 3HD2 LEU 13 0.294 -10.085 -9.097 84 H SER 14 H SER 14 -3.815 -10.521 -5.702 85 HA SER 14 HA SER 14 -6.507 -11.034 -6.399 86 1HB SER 14 1HB SER 14 -5.243 -13.333 -6.380 87 2HB SER 14 2HB SER 14 -5.289 -13.156 -4.617 88 HG SER 14 HG SER 14 -7.159 -14.243 -5.076 89 H ASP 15 H ASP 15 -7.906 -11.094 -4.336 90 HA ASP 15 HA ASP 15 -7.219 -9.003 -2.722 91 1HB ASP 15 1HB ASP 15 -9.096 -9.716 -1.299 92 2HB ASP 15 2HB ASP 15 -9.526 -9.884 -3.009 93 HD2 ASP 15 HD2 ASP 15 -9.749 -13.351 -2.734 94 H GLY 16 H GLY 16 -5.231 -9.136 -1.581 95 1HA GLY 16 1HA GLY 16 -4.171 -9.656 0.418 96 2HA GLY 16 2HA GLY 16 -5.107 -11.132 0.553 97 H THR 17 H THR 17 -3.304 -9.954 -2.347 98 HA THR 17 HA THR 17 -1.966 -12.506 -2.514 99 HB THR 17 HB THR 17 -2.154 -9.979 -4.213 100 HG1 THR 17 1HG THR 17 -2.807 -12.836 -4.383 101 1HG2 THR 17 1HG2 THR 17 -0.120 -10.590 -5.121 102 2HG2 THR 17 2HG2 THR 17 -0.142 -12.179 -4.320 103 3HG2 THR 17 3HG2 THR 17 -1.043 -11.933 -5.835 104 H VAL 18 H VAL 18 -0.589 -12.681 -0.741 105 HA VAL 18 HA VAL 18 1.195 -10.579 -0.071 106 HB VAL 18 HB VAL 18 1.526 -13.479 0.653 107 1HG1 VAL 18 1HG1 VAL 18 3.190 -12.509 1.820 108 2HG1 VAL 18 2HG1 VAL 18 2.500 -10.878 1.635 109 3HG1 VAL 18 3HG1 VAL 18 1.896 -11.960 2.913 110 1HG2 VAL 18 1HG2 VAL 18 -0.641 -13.469 1.300 111 2HG2 VAL 18 2HG2 VAL 18 -0.021 -12.533 2.681 112 3HG2 VAL 18 3HG2 VAL 18 -0.749 -11.692 1.291 113 H VAL 19 H VAL 19 2.350 -9.957 -1.937 114 HA VAL 19 HA VAL 19 4.066 -12.057 -3.061 115 HB VAL 19 HB VAL 19 4.295 -10.070 -4.825 116 1HG1 VAL 19 1HG1 VAL 19 2.039 -11.193 -5.819 117 2HG1 VAL 19 2HG1 VAL 19 3.630 -11.992 -5.828 118 3HG1 VAL 19 3HG1 VAL 19 2.448 -12.378 -4.555 119 1HG2 VAL 19 1HG2 VAL 19 2.681 -8.703 -3.324 120 2HG2 VAL 19 2HG2 VAL 19 2.411 -8.714 -5.083 121 3HG2 VAL 19 3HG2 VAL 19 1.408 -9.732 -4.022 122 H LYS 20 H LYS 20 6.243 -11.014 -3.927 123 HA LYS 20 HA LYS 20 7.496 -9.922 -1.598 124 1HB LYS 20 1HB LYS 20 8.392 -10.906 -4.282 125 2HB LYS 20 2HB LYS 20 9.507 -9.963 -3.275 126 1HG LYS 20 1HG LYS 20 9.538 -11.585 -1.579 127 2HG LYS 20 2HG LYS 20 7.990 -12.293 -2.073 128 1HD LYS 20 1HD LYS 20 8.981 -13.377 -3.955 129 2HD LYS 20 2HD LYS 20 10.460 -12.407 -3.849 130 1HE LYS 20 1HE LYS 20 10.564 -13.529 -1.413 131 2HE LYS 20 2HE LYS 20 9.584 -14.774 -2.201 132 1HZ LYS 20 1HZ LYS 20 11.326 -15.423 -3.390 133 2HZ LYS 20 2HZ LYS 20 11.837 -13.908 -3.724 134 3HZ LYS 20 3HZ LYS 20 12.243 -14.613 -2.308 135 H VAL 21 H VAL 21 8.421 -7.861 -1.337 136 HA VAL 21 HA VAL 21 7.881 -5.948 -3.480 137 HB VAL 21 HB VAL 21 7.072 -5.636 -0.582 138 1HG1 VAL 21 1HG1 VAL 21 6.861 -3.413 -0.861 139 2HG1 VAL 21 2HG1 VAL 21 7.972 -3.630 -2.234 140 3HG1 VAL 21 3HG1 VAL 21 6.214 -3.584 -2.510 141 1HG2 VAL 21 1HG2 VAL 21 5.599 -6.302 -3.087 142 2HG2 VAL 21 2HG2 VAL 21 5.289 -6.795 -1.405 143 3HG2 VAL 21 3HG2 VAL 21 4.815 -5.171 -1.958 144 H ALA 22 H ALA 22 9.471 -4.374 -3.703 145 HA ALA 22 HA ALA 22 11.516 -4.279 -1.616 146 1HB ALA 22 1HB ALA 22 11.786 -5.589 -4.156 147 2HB ALA 22 2HB ALA 22 12.799 -4.126 -4.171 148 3HB ALA 22 3HB ALA 22 13.018 -5.349 -2.895 149 H GLY 23 H GLY 23 12.856 -2.294 -1.763 150 1HA GLY 23 1HA GLY 23 13.258 -0.168 -2.692 151 2HA GLY 23 2HA GLY 23 11.672 -0.183 -3.437 152 H ALA 24 H ALA 24 12.028 2.093 -2.197 153 HA ALA 24 HA ALA 24 10.100 2.610 -0.538 154 1HB ALA 24 1HB ALA 24 11.300 2.373 1.813 155 2HB ALA 24 2HB ALA 24 10.407 1.005 1.110 156 3HB ALA 24 3HB ALA 24 12.182 1.065 0.989 157 H GLY 25 H GLY 25 11.320 4.104 1.626 158 1HA GLY 25 1HA GLY 25 12.122 6.406 0.247 159 2HA GLY 25 2HA GLY 25 12.264 6.113 1.969 160 H LEU 26 H LEU 26 13.829 3.519 0.553 161 HA LEU 26 HA LEU 26 15.973 2.944 0.554 162 1HB LEU 26 1HB LEU 26 15.835 3.725 -1.652 163 2HB LEU 26 2HB LEU 26 15.979 5.421 -1.158 164 HG LEU 26 HG LEU 26 18.328 4.318 -0.229 165 1HD1 LEU 26 1HD1 LEU 26 17.590 2.225 -1.554 166 2HD1 LEU 26 2HD1 LEU 26 18.028 3.173 -2.996 167 3HD1 LEU 26 3HD1 LEU 26 19.254 2.826 -1.754 168 1HD2 LEU 26 1HD2 LEU 26 17.640 5.802 -2.765 169 2HD2 LEU 26 2HD2 LEU 26 18.337 6.428 -1.252 170 3HD2 LEU 26 3HD2 LEU 26 19.318 5.402 -2.325 171 H GLN 27 H GLN 27 15.670 3.583 3.005 172 HA GLN 27 HA GLN 27 17.289 5.868 3.673 173 1HB GLN 27 1HB GLN 27 15.513 3.970 5.209 174 2HB GLN 27 2HB GLN 27 16.665 4.997 6.081 175 1HG GLN 27 1HG GLN 27 15.036 6.375 4.007 176 2HG GLN 27 2HG GLN 27 14.113 5.757 5.384 177 1HE2 GLN 27 1HE2 GLN 27 16.398 8.050 4.213 178 2HE2 GLN 27 2HE2 GLN 27 16.593 8.996 5.650 179 H ALA 28 H ALA 28 17.305 3.015 5.766 180 HA ALA 28 HA ALA 28 19.540 1.699 4.828 181 1HB ALA 28 1HB ALA 28 21.303 2.983 5.363 182 2HB ALA 28 2HB ALA 28 20.192 4.270 5.889 183 3HB ALA 28 3HB ALA 28 20.757 3.052 7.056 184 H GLY 29 H GLY 29 18.282 -0.058 5.559 185 1HA GLY 29 1HA GLY 29 17.560 -1.593 7.032 186 2HA GLY 29 2HA GLY 29 18.754 -0.963 8.149 187 H THR 30 H THR 30 16.529 1.452 7.019 188 HA THR 30 HA THR 30 15.426 1.726 9.647 189 HB THR 30 HB THR 30 15.010 3.140 6.965 190 HG1 THR 30 1HG THR 30 16.374 4.670 8.139 191 1HG2 THR 30 1HG2 THR 30 14.102 4.994 8.501 192 2HG2 THR 30 2HG2 THR 30 13.003 3.614 8.260 193 3HG2 THR 30 3HG2 THR 30 13.943 3.751 9.766 194 H ALA 31 H ALA 31 13.012 2.002 9.975 195 HA ALA 31 HA ALA 31 11.774 -0.413 8.976 196 1HB ALA 31 1HB ALA 31 10.062 1.183 10.654 197 2HB ALA 31 2HB ALA 31 10.846 -0.372 11.020 198 3HB ALA 31 3HB ALA 31 11.696 1.155 11.359 199 H TYR 32 H TYR 32 9.784 -0.474 7.805 200 HA TYR 32 HA TYR 32 8.809 2.085 6.800 201 1HB TYR 32 1HB TYR 32 9.966 -0.322 5.301 202 2HB TYR 32 2HB TYR 32 8.818 0.751 4.493 203 HD1 TYR 32 1HD TYR 32 11.763 0.136 3.744 204 HD2 TYR 32 2HD TYR 32 9.929 3.304 5.957 205 HE1 TYR 32 1HE TYR 32 13.675 1.691 3.117 206 HE2 TYR 32 2HE TYR 32 11.846 4.848 5.323 207 HH TYR 32 HH TYR 32 13.493 5.018 3.508 208 H ASP 33 H ASP 33 7.056 1.456 8.338 209 HA ASP 33 HA ASP 33 5.666 -0.847 8.257 210 1HB ASP 33 1HB ASP 33 5.309 1.794 9.258 211 2HB ASP 33 2HB ASP 33 3.806 1.390 8.414 212 HD2 ASP 33 HD2 ASP 33 2.823 -0.126 11.313 213 H VAL 34 H VAL 34 4.451 -1.862 6.648 214 HA VAL 34 HA VAL 34 4.135 -0.664 4.125 215 HB VAL 34 HB VAL 34 2.885 -3.118 5.375 216 1HG1 VAL 34 1HG1 VAL 34 3.150 -2.556 2.414 217 2HG1 VAL 34 2HG1 VAL 34 2.211 -3.832 3.224 218 3HG1 VAL 34 3HG1 VAL 34 1.690 -2.134 3.339 219 1HG2 VAL 34 1HG2 VAL 34 5.230 -2.951 3.461 220 2HG2 VAL 34 2HG2 VAL 34 5.408 -3.023 5.231 221 3HG2 VAL 34 3HG2 VAL 34 4.645 -4.374 4.357 222 H GLY 35 H GLY 35 2.193 0.004 3.028 223 1HA GLY 35 1HA GLY 35 -0.131 0.511 4.753 224 2HA GLY 35 2HA GLY 35 0.648 1.864 3.957 225 H GLN 36 H GLN 36 -2.102 0.592 3.610 226 HA GLN 36 HA GLN 36 -1.849 0.232 0.732 227 1HB GLN 36 1HB GLN 36 -3.268 -1.491 2.743 228 2HB GLN 36 2HB GLN 36 -3.998 -1.311 1.136 229 1HG GLN 36 1HG GLN 36 -1.243 -1.759 0.674 230 2HG GLN 36 2HG GLN 36 -1.681 -2.892 1.959 231 1HE2 GLN 36 1HE2 GLN 36 -3.415 -1.525 -0.836 232 2HE2 GLN 36 2HE2 GLN 36 -3.864 -3.027 -1.573 233 H CYS 37 H CYS 37 -2.853 1.931 -0.245 234 HA CYS 37 HA CYS 37 -5.304 2.902 1.034 235 1HB CYS 37 1HB CYS 37 -3.431 4.656 -0.522 236 2HB CYS 37 2HB CYS 37 -4.775 5.138 0.530 237 H ALA 38 H ALA 38 -6.658 4.187 -0.723 238 HA ALA 38 HA ALA 38 -6.252 3.056 -3.382 239 1HB ALA 38 1HB ALA 38 -7.849 1.661 -1.837 240 2HB ALA 38 2HB ALA 38 -8.996 2.992 -2.125 241 3HB ALA 38 3HB ALA 38 -8.361 2.051 -3.496 242 H TRP 39 H TRP 39 -5.915 4.935 -4.495 243 HA TRP 39 HA TRP 39 -7.258 7.341 -3.723 244 1HB TRP 39 1HB TRP 39 -5.765 8.388 -5.007 245 2HB TRP 39 2HB TRP 39 -4.893 6.861 -4.877 246 HD1 TRP 39 HD TRP 39 -5.565 5.087 -7.105 247 HE1 TRP 39 1HE TRP 39 -5.685 5.637 -9.683 248 HE3 TRP 39 3HE TRP 39 -6.159 10.106 -6.542 249 HZ2 TRP 39 2HZ TRP 39 -6.006 8.055 -11.164 250 HZ3 TRP 39 3HZ TRP 39 -6.368 11.489 -8.605 251 HH2 TRP 39 HH TRP 39 -6.300 10.541 -10.857 252 H VAL 40 H VAL 40 -9.319 7.855 -4.317 253 HA VAL 40 HA VAL 40 -10.391 6.481 -6.681 254 HB VAL 40 HB VAL 40 -11.910 7.694 -4.369 255 1HG1 VAL 40 1HG1 VAL 40 -13.623 7.420 -5.792 256 2HG1 VAL 40 2HG1 VAL 40 -12.651 6.434 -6.910 257 3HG1 VAL 40 3HG1 VAL 40 -13.430 5.675 -5.502 258 1HG2 VAL 40 1HG2 VAL 40 -12.256 5.211 -3.754 259 2HG2 VAL 40 2HG2 VAL 40 -10.812 4.907 -4.749 260 3HG2 VAL 40 3HG2 VAL 40 -10.705 5.972 -3.327 261 H ASP 41 H ASP 41 -9.647 9.556 -5.112 262 HA ASP 41 HA ASP 41 -9.833 10.920 -7.511 263 1HB ASP 41 1HB ASP 41 -12.330 10.662 -6.105 264 2HB ASP 41 2HB ASP 41 -11.813 12.351 -5.974 265 HD2 ASP 41 HD2 ASP 41 -13.778 11.875 -9.007 266 H THR 42 H THR 42 -9.742 13.478 -6.950 267 HA THR 42 HA THR 42 -7.626 13.888 -5.205 268 HB THR 42 HB THR 42 -9.754 15.814 -6.280 269 HG1 THR 42 1HG THR 42 -8.195 15.906 -8.007 270 1HG2 THR 42 1HG2 THR 42 -8.578 17.336 -5.001 271 2HG2 THR 42 2HG2 THR 42 -7.237 16.199 -4.725 272 3HG2 THR 42 3HG2 THR 42 -7.317 17.129 -6.240 273 H GLY 43 H GLY 43 -7.919 12.936 -3.183 274 1HA GLY 43 1HA GLY 43 -8.275 13.590 -0.945 275 2HA GLY 43 2HA GLY 43 -9.704 14.484 -1.428 276 H VAL 44 H VAL 44 -9.989 11.791 -3.292 277 HA VAL 44 HA VAL 44 -11.663 10.490 -1.281 278 HB VAL 44 HB VAL 44 -11.629 9.917 -4.232 279 1HG1 VAL 44 1HG1 VAL 44 -13.012 8.787 -2.137 280 2HG1 VAL 44 2HG1 VAL 44 -14.173 9.988 -2.753 281 3HG1 VAL 44 3HG1 VAL 44 -13.512 8.747 -3.845 282 1HG2 VAL 44 1HG2 VAL 44 -13.264 11.657 -4.622 283 2HG2 VAL 44 2HG2 VAL 44 -13.241 12.120 -2.903 284 3HG2 VAL 44 3HG2 VAL 44 -11.800 12.384 -3.917 285 H LEU 45 H LEU 45 -8.855 10.185 -0.969 286 HA LEU 45 HA LEU 45 -8.334 7.535 -2.079 287 1HB LEU 45 1HB LEU 45 -6.563 8.936 -2.531 288 2HB LEU 45 2HB LEU 45 -6.624 9.720 -0.943 289 HG LEU 45 HG LEU 45 -6.024 6.849 -0.822 290 1HD1 LEU 45 1HD1 LEU 45 -4.047 6.714 -1.958 291 2HD1 LEU 45 2HD1 LEU 45 -4.940 7.819 -3.030 292 3HD1 LEU 45 3HD1 LEU 45 -3.746 8.466 -1.879 293 1HD2 LEU 45 1HD2 LEU 45 -4.294 7.602 0.717 294 2HD2 LEU 45 2HD2 LEU 45 -4.581 9.293 0.242 295 3HD2 LEU 45 3HD2 LEU 45 -5.852 8.379 1.091 296 H ALA 46 H ALA 46 -9.050 5.857 -0.884 297 HA ALA 46 HA ALA 46 -9.424 6.235 1.961 298 1HB ALA 46 1HB ALA 46 -9.883 3.562 0.799 299 2HB ALA 46 2HB ALA 46 -10.982 4.608 1.731 300 3HB ALA 46 3HB ALA 46 -10.783 4.862 -0.019 301 H CYS 47 H CYS 47 -7.476 6.245 3.048 302 HA CYS 47 HA CYS 47 -5.418 4.414 2.258 303 1HB CYS 47 1HB CYS 47 -5.622 6.819 3.787 304 2HB CYS 47 2HB CYS 47 -4.805 5.583 4.759 305 H ASN 48 H ASN 48 -4.684 2.608 3.539 306 HA ASN 48 HA ASN 48 -6.665 1.775 5.510 307 1HB ASN 48 1HB ASN 48 -6.289 0.418 3.302 308 2HB ASN 48 2HB ASN 48 -4.768 -0.105 4.040 309 1HD2 ASN 48 1HD2 ASN 48 -5.897 -2.201 3.714 310 2HD2 ASN 48 2HD2 ASN 48 -6.904 -2.806 4.986 311 HA PRO 49 HA PRO 49 -2.691 2.290 7.669 312 1HB PRO 49 1HB PRO 49 -3.668 3.558 9.882 313 2HB PRO 49 2HB PRO 49 -3.045 4.418 8.474 314 1HG PRO 49 1HG PRO 49 -5.829 3.952 9.334 315 2HG PRO 49 2HG PRO 49 -5.196 5.204 8.204 316 1HD PRO 49 1HD PRO 49 -6.622 2.799 7.582 317 2HD PRO 49 2HD PRO 49 -5.881 3.916 6.427 318 H ALA 50 H ALA 50 -4.627 0.047 7.543 319 HA ALA 50 HA ALA 50 -4.139 -0.935 10.273 320 1HB ALA 50 1HB ALA 50 -6.128 -2.396 8.695 321 2HB ALA 50 2HB ALA 50 -6.267 -1.677 10.319 322 3HB ALA 50 3HB ALA 50 -6.546 -0.674 8.875 323 H ASP 51 H ASP 51 -2.898 -0.969 7.205 324 HA ASP 51 HA ASP 51 -2.709 -3.516 6.395 325 1HB ASP 51 1HB ASP 51 -1.581 -2.114 4.970 326 2HB ASP 51 2HB ASP 51 -0.941 -1.114 6.282 327 HD2 ASP 51 HD2 ASP 51 1.352 -3.803 4.648 328 H PHE 52 H PHE 52 -0.816 -1.810 8.965 329 HA PHE 52 HA PHE 52 0.319 -2.568 10.702 330 1HB PHE 52 1HB PHE 52 -0.537 -5.365 9.768 331 2HB PHE 52 2HB PHE 52 -0.047 -4.924 11.407 332 HD1 PHE 52 1HD PHE 52 -2.662 -6.262 10.312 333 HD2 PHE 52 2HD PHE 52 -1.662 -2.311 11.495 334 HE1 PHE 52 1HE PHE 52 -5.064 -5.827 10.895 335 HE2 PHE 52 2HE PHE 52 -4.064 -1.877 12.078 336 HZ PHE 52 HZ PHE 52 -5.738 -3.640 11.771 337 H SER 53 H SER 53 0.612 -4.828 7.877 338 HA SER 53 HA SER 53 2.939 -5.953 8.237 339 1HB SER 53 1HB SER 53 1.509 -4.902 5.894 340 2HB SER 53 2HB SER 53 3.255 -5.036 5.614 341 HG SER 53 HG SER 53 1.534 -7.149 6.606 342 H SER 54 H SER 54 5.228 -5.477 7.785 343 HA SER 54 HA SER 54 5.891 -2.710 7.424 344 1HB SER 54 1HB SER 54 5.756 -2.601 9.774 345 2HB SER 54 2HB SER 54 6.426 -4.227 9.993 346 HG SER 54 HG SER 54 8.450 -3.455 9.795 347 H VAL 55 H VAL 55 7.936 -2.474 6.428 348 HA VAL 55 HA VAL 55 9.449 -4.972 6.105 349 HB VAL 55 HB VAL 55 8.193 -4.438 4.089 350 1HG1 VAL 55 1HG1 VAL 55 9.727 -1.818 4.033 351 2HG1 VAL 55 2HG1 VAL 55 8.563 -2.401 2.819 352 3HG1 VAL 55 3HG1 VAL 55 8.007 -1.990 4.460 353 1HG2 VAL 55 1HG2 VAL 55 10.897 -5.011 4.260 354 2HG2 VAL 55 2HG2 VAL 55 9.887 -5.144 2.799 355 3HG2 VAL 55 3HG2 VAL 55 10.838 -3.668 3.092 356 H THR 56 H THR 56 11.762 -4.741 5.978 357 HA THR 56 HA THR 56 12.674 -2.204 7.156 358 HB THR 56 HB THR 56 13.479 -5.119 7.423 359 HG1 THR 56 1HG THR 56 12.343 -4.441 9.214 360 1HG2 THR 56 1HG2 THR 56 15.634 -3.979 7.000 361 2HG2 THR 56 2HG2 THR 56 15.173 -2.658 8.099 362 3HG2 THR 56 3HG2 THR 56 15.470 -4.290 8.745 363 H ALA 57 H ALA 57 14.579 -1.191 6.396 364 HA ALA 57 HA ALA 57 14.885 -1.480 3.566 365 1HB ALA 57 1HB ALA 57 15.122 0.730 4.057 366 2HB ALA 57 2HB ALA 57 15.669 0.405 5.719 367 3HB ALA 57 3HB ALA 57 16.819 0.286 4.365 368 H ASP 58 H ASP 58 17.279 -1.450 2.689 369 HA ASP 58 HA ASP 58 18.810 -3.380 4.241 370 1HB ASP 58 1HB ASP 58 19.511 -4.297 1.918 371 2HB ASP 58 2HB ASP 58 17.910 -4.746 2.526 372 HD2 ASP 58 HD2 ASP 58 16.978 -3.828 -0.677 373 H ALA 59 H ALA 59 20.878 -2.548 4.589 374 HA ALA 59 HA ALA 59 22.425 -0.886 4.524 375 1HB ALA 59 1HB ALA 59 23.588 -2.630 3.465 376 2HB ALA 59 2HB ALA 59 22.592 -2.531 1.993 377 3HB ALA 59 3HB ALA 59 23.799 -1.269 2.336 378 H ASN 60 H ASN 60 21.914 -0.775 0.986 379 HA ASN 60 HA ASN 60 22.180 1.788 0.594 380 1HB ASN 60 1HB ASN 60 20.908 -0.358 -0.788 381 2HB ASN 60 2HB ASN 60 19.782 1.005 -0.883 382 1HD2 ASN 60 1HD2 ASN 60 20.711 0.227 -3.183 383 2HD2 ASN 60 2HD2 ASN 60 21.942 1.262 -3.826 384 H GLY 61 H GLY 61 19.138 0.163 1.712 385 1HA GLY 61 1HA GLY 61 17.974 1.476 3.480 386 2HA GLY 61 2HA GLY 61 18.018 2.823 2.360 387 H SER 62 H SER 62 17.749 0.076 0.444 388 HA SER 62 HA SER 62 15.028 0.660 -0.082 389 1HB SER 62 1HB SER 62 17.090 -1.235 -1.199 390 2HB SER 62 2HB SER 62 15.389 -1.430 -1.662 391 HG SER 62 HG SER 62 15.897 0.038 -3.148 392 H ALA 63 H ALA 63 13.187 -0.553 0.466 393 HA ALA 63 HA ALA 63 13.528 -2.413 2.620 394 1HB ALA 63 1HB ALA 63 10.848 -2.220 1.467 395 2HB ALA 63 2HB ALA 63 11.419 -1.774 3.092 396 3HB ALA 63 3HB ALA 63 11.563 -0.615 1.750 397 H SER 64 H SER 64 12.587 -4.619 2.604 398 HA SER 64 HA SER 64 12.096 -5.753 0.032 399 1HB SER 64 1HB SER 64 13.905 -7.284 -0.046 400 2HB SER 64 2HB SER 64 14.652 -5.724 0.346 401 HG SER 64 HG SER 64 15.556 -7.119 1.808 402 H THR 65 H THR 65 10.245 -6.883 0.503 403 HA THR 65 HA THR 65 10.212 -9.073 2.198 404 HB THR 65 HB THR 65 10.314 -6.844 3.776 405 HG1 THR 65 1HG THR 65 10.265 -9.089 4.466 406 1HG2 THR 65 1HG2 THR 65 7.344 -7.532 3.501 407 2HG2 THR 65 2HG2 THR 65 8.068 -6.346 4.613 408 3HG2 THR 65 3HG2 THR 65 8.065 -6.037 2.859 409 H SER 66 H SER 66 7.916 -9.910 2.544 410 HA SER 66 HA SER 66 6.547 -9.382 0.074 411 1HB SER 66 1HB SER 66 5.445 -11.431 0.408 412 2HB SER 66 2HB SER 66 7.050 -11.716 1.106 413 HG SER 66 HG SER 66 5.591 -12.483 2.618 414 H LEU 67 H LEU 67 4.663 -8.187 -0.098 415 HA LEU 67 HA LEU 67 3.445 -7.350 2.439 416 1HB LEU 67 1HB LEU 67 3.952 -5.969 -0.152 417 2HB LEU 67 2HB LEU 67 2.563 -5.476 0.833 418 HG LEU 67 HG LEU 67 3.897 -4.621 2.516 419 1HD1 LEU 67 1HD1 LEU 67 6.278 -5.172 2.858 420 2HD1 LEU 67 2HD1 LEU 67 5.221 -6.601 2.963 421 3HD1 LEU 67 3HD1 LEU 67 6.193 -6.319 1.499 422 1HD2 LEU 67 1HD2 LEU 67 5.887 -3.453 1.307 423 2HD2 LEU 67 2HD2 LEU 67 5.194 -4.187 -0.158 424 3HD2 LEU 67 3HD2 LEU 67 4.215 -3.075 0.828 425 H THR 68 H THR 68 1.169 -7.419 2.658 426 HA THR 68 HA THR 68 -0.065 -9.400 0.938 427 HB THR 68 HB THR 68 -0.231 -9.499 3.439 428 HG1 THR 68 1HG THR 68 -1.987 -10.249 2.007 429 1HG2 THR 68 1HG2 THR 68 -2.139 -7.141 3.263 430 2HG2 THR 68 2HG2 THR 68 -1.384 -7.856 4.708 431 3HG2 THR 68 3HG2 THR 68 -0.415 -6.856 3.600 432 H VAL 69 H VAL 69 -0.592 -8.607 -1.043 433 HA VAL 69 HA VAL 69 -1.607 -5.970 -1.349 434 HB VAL 69 HB VAL 69 -1.716 -8.298 -3.274 435 1HG1 VAL 69 1HG1 VAL 69 -2.146 -5.350 -3.483 436 2HG1 VAL 69 2HG1 VAL 69 -1.309 -6.160 -4.830 437 3HG1 VAL 69 3HG1 VAL 69 -2.938 -6.692 -4.346 438 1HG2 VAL 69 1HG2 VAL 69 0.519 -6.265 -3.092 439 2HG2 VAL 69 2HG2 VAL 69 0.580 -7.833 -2.252 440 3HG2 VAL 69 3HG2 VAL 69 0.466 -7.778 -4.027 441 H ARG 70 H ARG 70 -3.227 -6.498 0.546 442 HA ARG 70 HA ARG 70 -5.385 -8.136 0.007 443 1HB ARG 70 1HB ARG 70 -6.521 -6.827 1.826 444 2HB ARG 70 2HB ARG 70 -4.886 -7.337 2.279 445 1HG ARG 70 1HG ARG 70 -4.608 -4.825 0.985 446 2HG ARG 70 2HG ARG 70 -5.991 -4.650 2.078 447 1HD ARG 70 1HD ARG 70 -4.382 -4.227 3.643 448 2HD ARG 70 2HD ARG 70 -4.209 -5.987 3.697 449 HE ARG 70 HE ARG 70 -2.584 -4.993 1.576 450 1HH1 ARG 70 1HH1 ARG 70 -2.733 -4.890 5.089 451 2HH1 ARG 70 2HH1 ARG 70 -1.022 -4.700 5.284 452 1HH2 ARG 70 1HH2 ARG 70 -0.327 -4.743 1.831 453 2HH2 ARG 70 2HH2 ARG 70 0.356 -4.615 3.418 454 H ARG 71 H ARG 71 -7.266 -7.832 -1.195 455 HA ARG 71 HA ARG 71 -7.388 -5.386 -2.686 456 1HB ARG 71 1HB ARG 71 -7.703 -7.435 -3.940 457 2HB ARG 71 2HB ARG 71 -8.956 -8.004 -2.825 458 1HG ARG 71 1HG ARG 71 -9.715 -5.408 -3.805 459 2HG ARG 71 2HG ARG 71 -9.257 -6.405 -5.198 460 1HD ARG 71 1HD ARG 71 -11.161 -7.346 -3.014 461 2HD ARG 71 2HD ARG 71 -11.720 -6.538 -4.487 462 HE ARG 71 HE ARG 71 -9.970 -8.746 -5.129 463 1HH1 ARG 71 1HH1 ARG 71 -13.246 -8.027 -4.064 464 2HH1 ARG 71 2HH1 ARG 71 -13.916 -9.481 -4.724 465 1HH2 ARG 71 1HH2 ARG 71 -10.853 -10.665 -5.998 466 2HH2 ARG 71 2HH2 ARG 71 -12.545 -10.993 -5.832 467 H SER 72 H SER 72 -9.962 -7.456 -1.146 468 HA SER 72 HA SER 72 -11.641 -5.236 -0.800 469 1HB SER 72 1HB SER 72 -13.083 -6.826 0.442 470 2HB SER 72 2HB SER 72 -12.529 -7.508 -1.099 471 HG SER 72 HG SER 72 -11.176 -7.997 1.407 472 H PHE 73 H PHE 73 -10.788 -3.611 0.529 473 HA PHE 73 HA PHE 73 -10.414 -4.394 3.317 474 1HB PHE 73 1HB PHE 73 -8.299 -3.302 3.392 475 2HB PHE 73 2HB PHE 73 -8.250 -4.035 1.785 476 HD1 PHE 73 1HD PHE 73 -8.510 -0.918 3.669 477 HD2 PHE 73 2HD PHE 73 -8.467 -2.647 -0.206 478 HE1 PHE 73 1HE PHE 73 -8.118 1.348 2.663 479 HE2 PHE 73 2HE PHE 73 -8.075 -0.381 -1.212 480 HZ PHE 73 HZ PHE 73 -7.904 1.589 0.235 481 H GLU 74 H GLU 74 -10.679 -2.571 4.842 482 HA GLU 74 HA GLU 74 -12.605 -0.717 3.757 483 1HB GLU 74 1HB GLU 74 -11.844 -0.842 6.670 484 2HB GLU 74 2HB GLU 74 -13.420 -0.478 5.944 485 1HG GLU 74 1HG GLU 74 -13.854 -2.631 6.613 486 2HG GLU 74 2HG GLU 74 -13.117 -3.019 5.052 487 HE2 GLU 74 HE2 GLU 74 -10.732 -4.843 6.696 488 H GLY 75 H GLY 75 -11.548 0.981 2.738 489 1HA GLY 75 1HA GLY 75 -9.261 2.209 4.106 490 2HA GLY 75 2HA GLY 75 -9.751 2.446 2.440 491 H PHE 76 H PHE 76 -9.205 4.481 4.559 492 HA PHE 76 HA PHE 76 -11.875 5.702 4.636 493 1HB PHE 76 1HB PHE 76 -9.499 5.541 6.524 494 2HB PHE 76 2HB PHE 76 -10.509 6.990 6.595 495 HD1 PHE 76 1HD PHE 76 -11.841 6.900 8.470 496 HD2 PHE 76 2HD PHE 76 -11.290 3.355 6.202 497 HE1 PHE 76 1HE PHE 76 -13.446 5.688 9.973 498 HE2 PHE 76 2HE PHE 76 -12.895 2.144 7.705 499 HZ PHE 76 HZ PHE 76 -13.954 3.325 9.572 500 H LEU 77 H LEU 77 -12.100 7.781 3.830 501 HA LEU 77 HA LEU 77 -10.228 8.716 2.025 502 1HB LEU 77 1HB LEU 77 -12.700 9.703 3.294 503 2HB LEU 77 2HB LEU 77 -11.643 10.938 2.587 504 HG LEU 77 HG LEU 77 -11.701 9.422 0.476 505 1HD1 LEU 77 1HD1 LEU 77 -14.284 8.497 1.752 506 2HD1 LEU 77 2HD1 LEU 77 -13.596 8.010 0.184 507 3HD1 LEU 77 3HD1 LEU 77 -12.798 7.519 1.698 508 1HD2 LEU 77 1HD2 LEU 77 -14.069 10.444 -0.054 509 2HD2 LEU 77 2HD2 LEU 77 -13.809 11.287 1.492 510 3HD2 LEU 77 3HD2 LEU 77 -12.643 11.487 0.161 511 H PHE 78 H PHE 78 -10.880 9.740 5.438 512 HA PHE 78 HA PHE 78 -9.500 10.594 6.949 513 1HB PHE 78 1HB PHE 78 -7.801 9.281 5.154 514 2HB PHE 78 2HB PHE 78 -7.162 10.928 5.103 515 HD1 PHE 78 1HD PHE 78 -6.040 11.867 7.020 516 HD2 PHE 78 2HD PHE 78 -7.713 7.972 7.205 517 HE1 PHE 78 1HE PHE 78 -4.766 11.421 9.136 518 HE2 PHE 78 2HE PHE 78 -6.439 7.525 9.321 519 HZ PHE 78 HZ PHE 78 -4.980 9.255 10.261 520 H ASP 79 H ASP 79 -10.855 12.067 4.505 521 HA ASP 79 HA ASP 79 -9.895 14.629 5.352 522 1HB ASP 79 1HB ASP 79 -8.872 13.512 2.996 523 2HB ASP 79 2HB ASP 79 -10.175 14.562 2.416 524 HD2 ASP 79 HD2 ASP 79 -7.085 16.464 2.620 525 H GLY 80 H GLY 80 -12.355 12.757 5.333 526 1HA GLY 80 1HA GLY 80 -14.351 14.689 4.949 527 2HA GLY 80 2HA GLY 80 -14.286 13.679 3.519 528 H THR 81 H THR 81 -13.935 11.151 4.183 529 HA THR 81 HA THR 81 -15.315 10.418 6.594 530 HB THR 81 HB THR 81 -16.641 9.728 3.931 531 HG1 THR 81 1HG THR 81 -17.175 11.821 5.923 532 1HG2 THR 81 1HG2 THR 81 -17.105 9.077 6.743 533 2HG2 THR 81 2HG2 THR 81 -18.463 10.037 6.108 534 3HG2 THR 81 3HG2 THR 81 -18.000 8.514 5.311 535 H ARG 82 H ARG 82 -16.141 7.828 5.236 536 HA ARG 82 HA ARG 82 -13.504 6.816 4.619 537 1HB ARG 82 1HB ARG 82 -13.694 4.971 6.186 538 2HB ARG 82 2HB ARG 82 -13.983 6.464 7.096 539 1HG ARG 82 1HG ARG 82 -16.505 5.628 6.073 540 2HG ARG 82 2HG ARG 82 -15.730 4.171 6.718 541 1HD ARG 82 1HD ARG 82 -15.169 5.834 8.749 542 2HD ARG 82 2HD ARG 82 -16.597 6.684 8.140 543 HE ARG 82 HE ARG 82 -17.322 3.975 8.276 544 1HH1 ARG 82 1HH1 ARG 82 -16.209 6.427 10.543 545 2HH1 ARG 82 2HH1 ARG 82 -17.038 5.734 11.897 546 1HH2 ARG 82 1HH2 ARG 82 -18.416 3.062 10.062 547 2HH2 ARG 82 2HH2 ARG 82 -18.302 3.806 11.622 548 H TRP 83 H TRP 83 -13.567 4.767 3.393 549 HA TRP 83 HA TRP 83 -15.911 4.598 1.760 550 1HB TRP 83 1HB TRP 83 -13.192 3.378 1.789 551 2HB TRP 83 2HB TRP 83 -14.467 2.573 0.870 552 HD1 TRP 83 HD TRP 83 -12.329 5.767 0.846 553 HE1 TRP 83 1HE TRP 83 -12.511 7.031 -1.464 554 HE3 TRP 83 3HE TRP 83 -16.079 2.891 -1.029 555 HZ2 TRP 83 2HZ TRP 83 -14.167 6.693 -3.764 556 HZ3 TRP 83 3HZ TRP 83 -16.922 3.424 -3.314 557 HH2 TRP 83 HH TRP 83 -16.027 5.251 -4.670 558 H GLY 84 H GLY 84 -14.045 2.120 3.673 559 1HA GLY 84 1HA GLY 84 -14.877 0.648 5.229 560 2HA GLY 84 2HA GLY 84 -16.516 1.142 4.852 561 H THR 85 H THR 85 -14.596 -1.492 4.783 562 HA THR 85 HA THR 85 -14.213 -3.162 3.225 563 HB THR 85 HB THR 85 -16.943 -2.974 4.407 564 HG1 THR 85 1HG THR 85 -14.955 -5.085 3.952 565 1HG2 THR 85 1HG2 THR 85 -16.355 -4.581 1.915 566 2HG2 THR 85 2HG2 THR 85 -17.256 -5.376 3.228 567 3HG2 THR 85 3HG2 THR 85 -17.902 -3.899 2.472 568 H VAL 86 H VAL 86 -13.459 -1.971 1.366 569 HA VAL 86 HA VAL 86 -15.487 -2.013 -0.756 570 HB VAL 86 HB VAL 86 -14.889 0.293 0.142 571 1HG1 VAL 86 1HG1 VAL 86 -12.750 0.900 0.292 572 2HG1 VAL 86 2HG1 VAL 86 -12.248 -0.672 -0.374 573 3HG1 VAL 86 3HG1 VAL 86 -12.565 0.696 -1.467 574 1HG2 VAL 86 1HG2 VAL 86 -15.982 -0.090 -2.030 575 2HG2 VAL 86 2HG2 VAL 86 -14.858 1.288 -2.097 576 3HG2 VAL 86 3HG2 VAL 86 -14.387 -0.278 -2.799 577 H ASP 87 H ASP 87 -14.663 -2.566 -2.873 578 HA ASP 87 HA ASP 87 -12.503 -4.394 -2.657 579 1HB ASP 87 1HB ASP 87 -12.992 -4.407 -5.287 580 2HB ASP 87 2HB ASP 87 -14.078 -5.216 -4.147 581 HD2 ASP 87 HD2 ASP 87 -15.716 -1.774 -4.919 582 H CYS 88 H CYS 88 -10.356 -3.783 -2.964 583 HA CYS 88 HA CYS 88 -9.670 -1.195 -3.747 584 1HB CYS 88 1HB CYS 88 -7.964 -1.947 -2.566 585 2HB CYS 88 2HB CYS 88 -8.293 -3.647 -2.950 586 H THR 89 H THR 89 -9.886 -4.364 -5.447 587 HA THR 89 HA THR 89 -8.639 -3.670 -7.821 588 HB THR 89 HB THR 89 -9.301 -5.974 -7.143 589 HG1 THR 89 1HG THR 89 -10.621 -6.247 -9.323 590 1HG2 THR 89 1HG2 THR 89 -11.549 -5.484 -6.156 591 2HG2 THR 89 2HG2 THR 89 -12.135 -4.979 -7.760 592 3HG2 THR 89 3HG2 THR 89 -11.678 -6.676 -7.472 593 H THR 90 H THR 90 -11.704 -2.595 -6.497 594 HA THR 90 HA THR 90 -12.682 -1.730 -9.078 595 HB THR 90 HB THR 90 -13.636 -1.721 -6.194 596 HG1 THR 90 1HG THR 90 -14.627 -2.503 -8.847 597 1HG2 THR 90 1HG2 THR 90 -14.478 0.118 -8.408 598 2HG2 THR 90 2HG2 THR 90 -15.793 -0.771 -7.603 599 3HG2 THR 90 3HG2 THR 90 -14.717 0.281 -6.652 600 H ALA 91 H ALA 91 -10.572 -0.536 -6.591 601 HA ALA 91 HA ALA 91 -10.703 2.100 -7.882 602 1HB ALA 91 1HB ALA 91 -9.903 2.829 -5.461 603 2HB ALA 91 2HB ALA 91 -11.633 2.610 -5.818 604 3HB ALA 91 3HB ALA 91 -10.729 1.328 -4.975 605 H ALA 92 H ALA 92 -9.067 -0.449 -8.300 606 HA ALA 92 HA ALA 92 -6.901 -1.133 -8.205 607 1HB ALA 92 1HB ALA 92 -7.309 1.322 -9.823 608 2HB ALA 92 2HB ALA 92 -5.609 0.897 -9.505 609 3HB ALA 92 3HB ALA 92 -6.686 -0.275 -10.302 610 H CYS 93 H CYS 93 -7.248 -0.542 -5.652 611 HA CYS 93 HA CYS 93 -6.031 1.633 -4.552 612 1HB CYS 93 1HB CYS 93 -6.096 0.543 -2.554 613 2HB CYS 93 2HB CYS 93 -7.342 -0.317 -3.474 614 H GLN 94 H GLN 94 -3.862 1.014 -2.993 615 HA GLN 94 HA GLN 94 -1.906 -0.259 -4.681 616 1HB GLN 94 1HB GLN 94 -0.368 1.807 -4.202 617 2HB GLN 94 2HB GLN 94 -1.527 1.888 -5.541 618 1HG GLN 94 1HG GLN 94 -2.564 2.746 -2.886 619 2HG GLN 94 2HG GLN 94 -1.302 3.785 -3.566 620 1HE2 GLN 94 1HE2 GLN 94 -1.680 3.811 -6.168 621 2HE2 GLN 94 2HE2 GLN 94 -3.240 4.413 -6.623 622 H VAL 95 H VAL 95 0.206 -0.599 -3.483 623 HA VAL 95 HA VAL 95 -0.131 -0.384 -0.585 624 HB VAL 95 HB VAL 95 -0.867 -2.588 -1.067 625 1HG1 VAL 95 1HG1 VAL 95 0.478 -4.208 -2.367 626 2HG1 VAL 95 2HG1 VAL 95 -0.040 -2.817 -3.349 627 3HG1 VAL 95 3HG1 VAL 95 1.636 -2.914 -2.758 628 1HG2 VAL 95 1HG2 VAL 95 0.326 -2.932 0.830 629 2HG2 VAL 95 2HG2 VAL 95 1.365 -3.891 -0.252 630 3HG2 VAL 95 3HG2 VAL 95 1.811 -2.217 0.156 631 H GLY 96 H GLY 96 1.414 1.203 -0.296 632 1HA GLY 96 1HA GLY 96 4.097 0.613 -1.394 633 2HA GLY 96 2HA GLY 96 3.453 2.222 -1.136 634 H LEU 97 H LEU 97 5.813 1.906 0.042 635 HA LEU 97 HA LEU 97 5.541 0.782 2.674 636 1HB LEU 97 1HB LEU 97 7.746 0.794 2.710 637 2HB LEU 97 2HB LEU 97 7.616 1.095 0.968 638 HG LEU 97 HG LEU 97 9.270 2.555 1.949 639 1HD1 LEU 97 1HD1 LEU 97 7.465 4.739 1.612 640 2HD1 LEU 97 2HD1 LEU 97 8.665 4.088 0.469 641 3HD1 LEU 97 3HD1 LEU 97 7.003 3.447 0.478 642 1HD2 LEU 97 1HD2 LEU 97 9.085 3.695 3.882 643 2HD2 LEU 97 2HD2 LEU 97 7.380 4.122 3.597 644 3HD2 LEU 97 3HD2 LEU 97 7.802 2.509 4.223 645 H SER 98 H SER 98 5.853 2.044 4.667 646 HA SER 98 HA SER 98 5.310 4.861 4.367 647 1HB SER 98 1HB SER 98 3.322 2.902 5.164 648 2HB SER 98 2HB SER 98 3.622 4.032 6.496 649 HG SER 98 HG SER 98 3.049 4.825 3.770 650 H ASP 99 H ASP 99 6.450 6.045 5.895 651 HA ASP 99 HA ASP 99 7.841 4.456 7.877 652 1HB ASP 99 1HB ASP 99 8.711 7.158 7.966 653 2HB ASP 99 2HB ASP 99 9.581 5.778 7.280 654 HD2 ASP 99 HD2 ASP 99 9.498 7.501 4.327 655 H ALA 100 H ALA 100 8.285 5.896 10.025 656 HA ALA 100 HA ALA 100 5.658 6.672 10.969 657 1HB ALA 100 1HB ALA 100 7.168 5.109 12.229 658 2HB ALA 100 2HB ALA 100 8.309 6.458 12.450 659 3HB ALA 100 3HB ALA 100 6.682 6.541 13.167 660 H ALA 101 H ALA 101 6.935 8.366 8.945 661 HA ALA 101 HA ALA 101 6.713 10.843 10.360 662 1HB ALA 101 1HB ALA 101 8.958 10.797 10.887 663 2HB ALA 101 2HB ALA 101 9.372 9.749 9.509 664 3HB ALA 101 3HB ALA 101 9.063 11.483 9.248 665 H GLY 102 H GLY 102 7.615 9.027 7.379 666 1HA GLY 102 1HA GLY 102 6.862 11.211 5.650 667 2HA GLY 102 2HA GLY 102 7.368 9.598 5.188 668 H ASN 103 H ASN 103 5.627 7.837 6.259 669 HA ASN 103 HA ASN 103 3.726 6.912 5.663 670 1HB ASN 103 1HB ASN 103 2.021 7.560 7.102 671 2HB ASN 103 2HB ASN 103 3.334 8.519 7.806 672 1HD2 ASN 103 1HD2 ASN 103 0.234 8.551 6.652 673 2HD2 ASN 103 2HD2 ASN 103 0.017 10.240 6.336 674 H GLY 104 H GLY 104 1.116 8.055 5.055 675 1HA GLY 104 1HA GLY 104 -0.005 9.373 3.526 676 2HA GLY 104 2HA GLY 104 1.515 9.898 2.829 677 HA PRO 105 HA PRO 105 -0.305 6.515 0.273 678 1HB PRO 105 1HB PRO 105 -1.194 7.958 -1.868 679 2HB PRO 105 2HB PRO 105 -2.245 7.441 -0.552 680 1HG PRO 105 1HG PRO 105 -1.089 10.093 -1.125 681 2HG PRO 105 2HG PRO 105 -2.508 9.687 -0.096 682 1HD PRO 105 1HD PRO 105 0.131 10.428 0.727 683 2HD PRO 105 2HD PRO 105 -1.185 9.883 1.773 684 H GLU 106 H GLU 106 1.075 5.296 -0.856 685 HA GLU 106 HA GLU 106 3.410 6.655 -1.744 686 1HB GLU 106 1HB GLU 106 2.826 4.095 -0.846 687 2HB GLU 106 2HB GLU 106 3.111 3.839 -2.576 688 1HG GLU 106 1HG GLU 106 5.196 3.624 -1.251 689 2HG GLU 106 2HG GLU 106 5.302 4.974 -2.393 690 HE2 GLU 106 HE2 GLU 106 4.442 6.348 1.209 691 H GLY 107 H GLY 107 0.848 4.615 -3.328 692 1HA GLY 107 1HA GLY 107 -0.176 5.472 -5.337 693 2HA GLY 107 2HA GLY 107 1.385 6.099 -5.829 694 H VAL 108 H VAL 108 1.545 3.024 -4.202 695 HA VAL 108 HA VAL 108 2.523 1.775 -6.559 696 HB VAL 108 HB VAL 108 2.001 0.942 -3.718 697 1HG1 VAL 108 1HG1 VAL 108 3.474 -1.120 -4.942 698 2HG1 VAL 108 2HG1 VAL 108 1.814 -1.205 -4.305 699 3HG1 VAL 108 3HG1 VAL 108 2.091 -0.815 -6.020 700 1HG2 VAL 108 1HG2 VAL 108 4.653 0.537 -4.921 701 2HG2 VAL 108 2HG2 VAL 108 4.113 2.234 -4.927 702 3HG2 VAL 108 3HG2 VAL 108 4.192 1.330 -3.396 703 H ALA 109 H ALA 109 0.473 2.307 -7.832 704 HA ALA 109 HA ALA 109 -1.937 1.017 -7.222 705 1HB ALA 109 1HB ALA 109 -2.484 2.449 -8.866 706 2HB ALA 109 2HB ALA 109 -0.776 2.646 -9.326 707 3HB ALA 109 3HB ALA 109 -1.739 1.322 -10.025 708 H ILE 110 H ILE 110 -2.376 -1.124 -7.163 709 HA ILE 110 HA ILE 110 -0.825 -2.833 -8.981 710 HB ILE 110 HB ILE 110 -1.674 -3.334 -6.130 711 1HG1 ILE 110 1HG1 ILE 110 1.057 -3.335 -7.429 712 2HG1 ILE 110 2HG1 ILE 110 0.392 -2.007 -6.465 713 1HG2 ILE 110 1HG2 ILE 110 -1.023 -5.228 -8.324 714 2HG2 ILE 110 2HG2 ILE 110 -0.277 -5.541 -6.739 715 3HG2 ILE 110 3HG2 ILE 110 -2.048 -5.436 -6.884 716 1HD1 ILE 110 1HD1 ILE 110 0.006 -4.204 -4.811 717 2HD1 ILE 110 2HD1 ILE 110 1.550 -4.588 -5.607 718 3HD1 ILE 110 3HD1 ILE 110 1.372 -3.067 -4.701 719 H SER 111 H SER 111 -1.962 -4.629 -9.922 720 HA SER 111 HA SER 111 -4.779 -4.037 -10.127 721 1HB SER 111 1HB SER 111 -2.814 -4.810 -11.959 722 2HB SER 111 2HB SER 111 -3.793 -6.273 -11.758 723 HG SER 111 HG SER 111 -4.500 -3.712 -12.803 724 H PHE 112 H PHE 112 -5.901 -4.963 -8.412 725 HA PHE 112 HA PHE 112 -5.113 -7.565 -7.459 726 1HB PHE 112 1HB PHE 112 -7.396 -5.603 -6.841 727 2HB PHE 112 2HB PHE 112 -7.086 -7.061 -5.892 728 HD1 PHE 112 1HD PHE 112 -5.920 -6.768 -3.934 729 HD2 PHE 112 2HD PHE 112 -5.212 -4.069 -7.130 730 HE1 PHE 112 1HE PHE 112 -4.335 -5.468 -2.486 731 HE2 PHE 112 2HE PHE 112 -3.628 -2.769 -5.682 732 HZ PHE 112 HZ PHE 112 -3.208 -3.484 -3.377 733 H ASN 113 H ASN 113 -6.424 -6.915 -10.264 734 HA ASN 113 HA ASN 113 -7.600 -9.280 -10.677 735 1HB ASN 113 1HB ASN 113 -9.340 -7.749 -9.050 736 2HB ASN 113 2HB ASN 113 -10.041 -7.640 -10.671 737 1HD2 ASN 113 1HD2 ASN 113 -11.809 -8.857 -9.932 738 2HD2 ASN 113 2HD2 ASN 113 -11.733 -10.578 -9.746 Start of MODEL 3 1 H ALA 1 H ALA 1 10.184 6.666 -9.804 2 HA ALA 1 HA ALA 1 12.061 7.742 -8.578 3 1HB ALA 1 1HB ALA 1 9.513 7.302 -6.973 4 2HB ALA 1 2HB ALA 1 10.621 8.689 -6.861 5 3HB ALA 1 3HB ALA 1 9.663 8.433 -8.339 6 H ALA 2 H ALA 2 13.050 7.872 -6.345 7 HA ALA 2 HA ALA 2 13.910 5.241 -5.600 8 1HB ALA 2 1HB ALA 2 14.856 7.208 -3.777 9 2HB ALA 2 2HB ALA 2 15.735 6.461 -5.133 10 3HB ALA 2 3HB ALA 2 14.827 7.972 -5.385 11 HA PRO 3 HA PRO 3 11.553 6.442 -1.688 12 1HB PRO 3 1HB PRO 3 10.104 8.757 -1.595 13 2HB PRO 3 2HB PRO 3 11.751 8.624 -0.980 14 1HG PRO 3 1HG PRO 3 10.752 9.841 -3.474 15 2HG PRO 3 2HG PRO 3 12.318 10.126 -2.635 16 1HD PRO 3 1HD PRO 3 11.820 8.597 -5.004 17 2HD PRO 3 2HD PRO 3 13.352 8.717 -4.128 18 H THR 4 H THR 4 10.561 4.589 -2.772 19 HA THR 4 HA THR 4 7.787 4.761 -2.560 20 HB THR 4 HB THR 4 7.712 4.290 -5.296 21 HG1 THR 4 1HG THR 4 9.765 5.058 -5.798 22 1HG2 THR 4 1HG2 THR 4 6.265 6.054 -5.186 23 2HG2 THR 4 2HG2 THR 4 6.788 6.319 -3.505 24 3HG2 THR 4 3HG2 THR 4 7.609 7.169 -4.837 25 H ALA 5 H ALA 5 6.824 2.733 -2.590 26 HA ALA 5 HA ALA 5 8.766 0.559 -2.896 27 1HB ALA 5 1HB ALA 5 7.500 1.070 -0.689 28 2HB ALA 5 2HB ALA 5 6.076 0.400 -1.517 29 3HB ALA 5 3HB ALA 5 7.518 -0.613 -1.270 30 H THR 6 H THR 6 7.879 -1.530 -3.792 31 HA THR 6 HA THR 6 5.530 -1.294 -5.451 32 HB THR 6 HB THR 6 6.617 -1.310 -7.545 33 HG1 THR 6 1HG THR 6 8.170 -2.902 -7.459 34 1HG2 THR 6 1HG2 THR 6 7.241 0.870 -6.510 35 2HG2 THR 6 2HG2 THR 6 8.638 0.100 -5.720 36 3HG2 THR 6 3HG2 THR 6 8.587 0.247 -7.493 37 H VAL 7 H VAL 7 5.032 -3.387 -6.564 38 HA VAL 7 HA VAL 7 6.136 -5.587 -4.956 39 HB VAL 7 HB VAL 7 3.393 -5.477 -6.203 40 1HG1 VAL 7 1HG1 VAL 7 3.637 -7.034 -3.785 41 2HG1 VAL 7 2HG1 VAL 7 3.168 -7.554 -5.421 42 3HG1 VAL 7 3HG1 VAL 7 4.885 -7.526 -4.955 43 1HG2 VAL 7 1HG2 VAL 7 2.562 -4.930 -3.893 44 2HG2 VAL 7 2HG2 VAL 7 4.245 -4.574 -3.435 45 3HG2 VAL 7 3HG2 VAL 7 3.443 -3.609 -4.698 46 H THR 8 H THR 8 6.979 -7.339 -6.034 47 HA THR 8 HA THR 8 8.019 -7.241 -8.463 48 HB THR 8 HB THR 8 6.999 -9.387 -6.668 49 HG1 THR 8 1HG THR 8 9.300 -8.923 -8.434 50 1HG2 THR 8 1HG2 THR 8 7.839 -10.066 -9.529 51 2HG2 THR 8 2HG2 THR 8 7.341 -11.200 -8.251 52 3HG2 THR 8 3HG2 THR 8 6.143 -10.110 -8.990 53 HA PRO 9 HA PRO 9 4.137 -8.560 -10.725 54 1HB PRO 9 1HB PRO 9 1.805 -9.042 -9.386 55 2HB PRO 9 2HB PRO 9 2.949 -10.311 -9.819 56 1HG PRO 9 1HG PRO 9 2.448 -9.018 -7.216 57 2HG PRO 9 2HG PRO 9 3.238 -10.600 -7.549 58 1HD PRO 9 1HD PRO 9 4.461 -8.121 -6.799 59 2HD PRO 9 2HD PRO 9 5.294 -9.608 -7.271 60 H SER 10 H SER 10 1.931 -7.284 -8.342 61 HA SER 10 HA SER 10 1.176 -5.223 -8.073 62 1HB SER 10 1HB SER 10 2.244 -3.392 -8.892 63 2HB SER 10 2HB SER 10 3.469 -4.567 -9.403 64 HG SER 10 HG SER 10 2.186 -2.875 -10.958 65 H SER 11 H SER 11 0.202 -7.520 -9.799 66 HA SER 11 HA SER 11 -2.132 -6.346 -10.667 67 1HB SER 11 1HB SER 11 -1.971 -6.455 -13.079 68 2HB SER 11 2HB SER 11 -0.652 -5.430 -12.485 69 HG SER 11 HG SER 11 0.416 -6.753 -13.862 70 H GLY 12 H GLY 12 -3.689 -7.983 -11.055 71 1HA GLY 12 1HA GLY 12 -4.526 -10.065 -11.314 72 2HA GLY 12 2HA GLY 12 -2.957 -10.621 -11.862 73 H LEU 13 H LEU 13 -3.511 -8.937 -8.742 74 HA LEU 13 HA LEU 13 -2.510 -11.322 -7.403 75 1HB LEU 13 1HB LEU 13 -2.942 -8.552 -6.306 76 2HB LEU 13 2HB LEU 13 -2.038 -9.876 -5.553 77 HG LEU 13 HG LEU 13 -1.282 -8.082 -7.837 78 1HD1 LEU 13 1HD1 LEU 13 0.665 -9.036 -5.809 79 2HD1 LEU 13 2HD1 LEU 13 0.433 -7.420 -6.519 80 3HD1 LEU 13 3HD1 LEU 13 -0.651 -7.987 -5.226 81 1HD2 LEU 13 1HD2 LEU 13 -0.581 -10.955 -7.563 82 2HD2 LEU 13 2HD2 LEU 13 -0.678 -9.921 -9.008 83 3HD2 LEU 13 3HD2 LEU 13 0.748 -9.835 -7.947 84 H SER 14 H SER 14 -3.754 -10.369 -4.820 85 HA SER 14 HA SER 14 -6.548 -10.544 -5.277 86 1HB SER 14 1HB SER 14 -5.479 -12.964 -5.398 87 2HB SER 14 2HB SER 14 -5.457 -12.828 -3.630 88 HG SER 14 HG SER 14 -7.676 -12.913 -5.442 89 H ASP 15 H ASP 15 -7.681 -10.823 -2.956 90 HA ASP 15 HA ASP 15 -6.651 -8.766 -1.394 91 1HB ASP 15 1HB ASP 15 -9.072 -9.670 -1.615 92 2HB ASP 15 2HB ASP 15 -8.603 -10.891 -0.424 93 HD2 ASP 15 HD2 ASP 15 -10.027 -8.370 1.577 94 H GLY 16 H GLY 16 -4.614 -9.147 -0.422 95 1HA GLY 16 1HA GLY 16 -3.539 -9.898 1.530 96 2HA GLY 16 2HA GLY 16 -4.498 -11.365 1.505 97 H THR 17 H THR 17 -3.067 -10.064 -1.484 98 HA THR 17 HA THR 17 -1.601 -12.515 -1.836 99 HB THR 17 HB THR 17 -2.165 -9.998 -3.457 100 HG1 THR 17 1HG THR 17 -3.593 -12.012 -3.090 101 1HG2 THR 17 1HG2 THR 17 -0.223 -10.407 -4.626 102 2HG2 THR 17 2HG2 THR 17 0.028 -11.974 -3.820 103 3HG2 THR 17 3HG2 THR 17 -1.069 -11.856 -5.217 104 H VAL 18 H VAL 18 -0.182 -12.393 0.032 105 HA VAL 18 HA VAL 18 1.677 -10.248 0.206 106 HB VAL 18 HB VAL 18 1.878 -12.999 1.432 107 1HG1 VAL 18 1HG1 VAL 18 3.496 -10.681 1.586 108 2HG1 VAL 18 2HG1 VAL 18 2.636 -10.805 3.138 109 3HG1 VAL 18 3HG1 VAL 18 3.617 -12.170 2.553 110 1HG2 VAL 18 1HG2 VAL 18 -0.154 -10.939 1.844 111 2HG2 VAL 18 2HG2 VAL 18 -0.096 -12.621 2.421 112 3HG2 VAL 18 3HG2 VAL 18 0.725 -11.337 3.341 113 H VAL 19 H VAL 19 2.822 -9.970 -1.714 114 HA VAL 19 HA VAL 19 4.425 -12.297 -2.526 115 HB VAL 19 HB VAL 19 4.514 -10.862 -4.720 116 1HG1 VAL 19 1HG1 VAL 19 1.977 -11.987 -5.018 117 2HG1 VAL 19 2HG1 VAL 19 3.541 -12.787 -5.312 118 3HG1 VAL 19 3HG1 VAL 19 2.740 -12.952 -3.731 119 1HG2 VAL 19 1HG2 VAL 19 1.759 -10.056 -3.785 120 2HG2 VAL 19 2HG2 VAL 19 3.172 -9.007 -3.521 121 3HG2 VAL 19 3HG2 VAL 19 2.696 -9.456 -5.175 122 H LYS 20 H LYS 20 6.543 -11.517 -3.685 123 HA LYS 20 HA LYS 20 8.046 -10.152 -1.783 124 1HB LYS 20 1HB LYS 20 8.547 -11.741 -3.948 125 2HB LYS 20 2HB LYS 20 9.118 -10.165 -4.527 126 1HG LYS 20 1HG LYS 20 10.407 -9.953 -2.348 127 2HG LYS 20 2HG LYS 20 9.973 -11.634 -1.992 128 1HD LYS 20 1HD LYS 20 11.047 -12.309 -4.161 129 2HD LYS 20 2HD LYS 20 11.570 -10.631 -4.395 130 1HE LYS 20 1HE LYS 20 13.365 -10.991 -3.079 131 2HE LYS 20 2HE LYS 20 12.326 -11.488 -1.735 132 1HZ LYS 20 1HZ LYS 20 13.976 -13.140 -2.689 133 2HZ LYS 20 2HZ LYS 20 12.459 -13.672 -2.399 134 3HZ LYS 20 3HZ LYS 20 12.924 -13.324 -3.925 135 H VAL 21 H VAL 21 8.526 -8.025 -1.434 136 HA VAL 21 HA VAL 21 7.741 -6.135 -3.526 137 HB VAL 21 HB VAL 21 6.975 -6.038 -0.604 138 1HG1 VAL 21 1HG1 VAL 21 6.517 -3.824 -0.730 139 2HG1 VAL 21 2HG1 VAL 21 7.745 -3.850 -2.019 140 3HG1 VAL 21 3HG1 VAL 21 6.015 -3.913 -2.434 141 1HG2 VAL 21 1HG2 VAL 21 4.666 -5.666 -1.852 142 2HG2 VAL 21 2HG2 VAL 21 5.497 -6.534 -3.164 143 3HG2 VAL 21 3HG2 VAL 21 5.312 -7.300 -1.568 144 H ALA 22 H ALA 22 9.127 -4.368 -3.741 145 HA ALA 22 HA ALA 22 11.212 -4.080 -1.721 146 1HB ALA 22 1HB ALA 22 12.569 -5.316 -3.075 147 2HB ALA 22 2HB ALA 22 11.539 -5.069 -4.507 148 3HB ALA 22 3HB ALA 22 12.679 -3.799 -4.000 149 H GLY 23 H GLY 23 12.271 -1.961 -1.821 150 1HA GLY 23 1HA GLY 23 12.447 0.183 -2.848 151 2HA GLY 23 2HA GLY 23 10.823 0.005 -3.480 152 H ALA 24 H ALA 24 11.322 2.325 -2.142 153 HA ALA 24 HA ALA 24 9.382 2.717 -0.416 154 1HB ALA 24 1HB ALA 24 10.867 2.479 1.846 155 2HB ALA 24 2HB ALA 24 9.759 1.214 1.262 156 3HB ALA 24 3HB ALA 24 11.500 1.101 0.915 157 H GLY 25 H GLY 25 10.635 4.212 1.727 158 1HA GLY 25 1HA GLY 25 11.252 6.587 0.397 159 2HA GLY 25 2HA GLY 25 11.540 6.236 2.089 160 H LEU 26 H LEU 26 13.125 3.757 0.571 161 HA LEU 26 HA LEU 26 15.270 3.289 0.307 162 1HB LEU 26 1HB LEU 26 14.953 4.235 -1.818 163 2HB LEU 26 2HB LEU 26 15.080 5.891 -1.200 164 HG LEU 26 HG LEU 26 17.516 4.765 -0.520 165 1HD1 LEU 26 1HD1 LEU 26 17.421 2.796 -1.731 166 2HD1 LEU 26 2HD1 LEU 26 16.510 3.536 -3.070 167 3HD1 LEU 26 3HD1 LEU 26 18.240 3.900 -2.863 168 1HD2 LEU 26 1HD2 LEU 26 18.051 6.032 -2.893 169 2HD2 LEU 26 2HD2 LEU 26 16.478 6.731 -2.438 170 3HD2 LEU 26 3HD2 LEU 26 17.854 6.830 -1.314 171 H GLN 27 H GLN 27 15.045 3.784 2.827 172 HA GLN 27 HA GLN 27 16.594 6.070 3.585 173 1HB GLN 27 1HB GLN 27 14.952 3.990 4.967 174 2HB GLN 27 2HB GLN 27 16.244 4.743 5.920 175 1HG GLN 27 1HG GLN 27 14.438 6.517 4.296 176 2HG GLN 27 2HG GLN 27 13.780 5.805 5.776 177 1HE2 GLN 27 1HE2 GLN 27 13.633 7.727 6.853 178 2HE2 GLN 27 2HE2 GLN 27 14.996 8.625 7.429 179 H ALA 28 H ALA 28 16.991 3.040 5.371 180 HA ALA 28 HA ALA 28 19.200 1.960 4.167 181 1HB ALA 28 1HB ALA 28 20.568 3.831 4.376 182 2HB ALA 28 2HB ALA 28 19.810 4.345 5.902 183 3HB ALA 28 3HB ALA 28 20.934 2.966 5.887 184 H GLY 29 H GLY 29 18.119 0.100 4.943 185 1HA GLY 29 1HA GLY 29 17.606 -1.521 6.410 186 2HA GLY 29 2HA GLY 29 18.955 -0.941 7.366 187 H THR 30 H THR 30 16.401 1.375 6.680 188 HA THR 30 HA THR 30 15.729 1.419 9.501 189 HB THR 30 HB THR 30 15.363 3.194 7.071 190 HG1 THR 30 1HG THR 30 16.197 3.399 9.881 191 1HG2 THR 30 1HG2 THR 30 13.966 3.566 9.773 192 2HG2 THR 30 2HG2 THR 30 13.977 4.730 8.427 193 3HG2 THR 30 3HG2 THR 30 13.124 3.177 8.253 194 H ALA 31 H ALA 31 13.393 1.661 10.155 195 HA ALA 31 HA ALA 31 11.994 -0.612 9.129 196 1HB ALA 31 1HB ALA 31 10.423 1.040 10.903 197 2HB ALA 31 2HB ALA 31 11.149 -0.556 11.209 198 3HB ALA 31 3HB ALA 31 12.087 0.923 11.522 199 H TYR 32 H TYR 32 9.935 -0.619 8.076 200 HA TYR 32 HA TYR 32 8.945 1.958 7.151 201 1HB TYR 32 1HB TYR 32 10.188 -0.335 5.585 202 2HB TYR 32 2HB TYR 32 8.849 0.535 4.831 203 HD1 TYR 32 1HD TYR 32 9.472 3.316 5.821 204 HD2 TYR 32 2HD TYR 32 12.002 0.264 4.212 205 HE1 TYR 32 1HE TYR 32 11.106 5.088 5.011 206 HE2 TYR 32 2HE TYR 32 13.627 2.046 3.406 207 HH TYR 32 HH TYR 32 12.820 5.452 3.626 208 H ASP 33 H ASP 33 7.227 1.323 8.698 209 HA ASP 33 HA ASP 33 5.847 -0.974 8.679 210 1HB ASP 33 1HB ASP 33 5.512 1.622 9.696 211 2HB ASP 33 2HB ASP 33 4.031 1.342 8.769 212 HD2 ASP 33 HD2 ASP 33 2.753 -0.347 11.435 213 H VAL 34 H VAL 34 4.744 -2.058 7.040 214 HA VAL 34 HA VAL 34 4.405 -1.037 4.501 215 HB VAL 34 HB VAL 34 3.066 -3.284 6.005 216 1HG1 VAL 34 1HG1 VAL 34 1.520 -2.651 4.263 217 2HG1 VAL 34 2HG1 VAL 34 2.832 -2.574 3.062 218 3HG1 VAL 34 3HG1 VAL 34 2.358 -4.141 3.765 219 1HG2 VAL 34 1HG2 VAL 34 5.514 -3.445 5.589 220 2HG2 VAL 34 2HG2 VAL 34 4.578 -4.711 4.758 221 3HG2 VAL 34 3HG2 VAL 34 5.198 -3.317 3.842 222 H GLY 35 H GLY 35 2.420 -0.471 3.314 223 1HA GLY 35 1HA GLY 35 0.294 0.622 5.045 224 2HA GLY 35 2HA GLY 35 1.073 1.629 3.840 225 H GLN 36 H GLN 36 -1.306 1.733 3.100 226 HA GLN 36 HA GLN 36 -1.580 0.456 0.737 227 1HB GLN 36 1HB GLN 36 -2.445 -1.234 2.993 228 2HB GLN 36 2HB GLN 36 -3.694 -1.035 1.752 229 1HG GLN 36 1HG GLN 36 -1.252 -1.459 0.364 230 2HG GLN 36 2HG GLN 36 -1.261 -2.636 1.685 231 1HE2 GLN 36 1HE2 GLN 36 -3.074 -1.336 -1.046 232 2HE2 GLN 36 2HE2 GLN 36 -4.021 -2.744 -1.392 233 H CYS 37 H CYS 37 -2.892 1.873 -0.327 234 HA CYS 37 HA CYS 37 -5.206 2.884 1.137 235 1HB CYS 37 1HB CYS 37 -3.482 4.635 -0.596 236 2HB CYS 37 2HB CYS 37 -4.841 5.124 0.429 237 H ALA 38 H ALA 38 -6.674 4.114 -0.633 238 HA ALA 38 HA ALA 38 -6.412 2.866 -3.245 239 1HB ALA 38 1HB ALA 38 -8.452 1.726 -3.184 240 2HB ALA 38 2HB ALA 38 -7.812 1.431 -1.549 241 3HB ALA 38 3HB ALA 38 -9.058 2.676 -1.806 242 H TRP 39 H TRP 39 -6.864 4.349 -4.805 243 HA TRP 39 HA TRP 39 -7.769 6.938 -3.968 244 1HB TRP 39 1HB TRP 39 -6.053 6.959 -5.538 245 2HB TRP 39 2HB TRP 39 -6.824 5.743 -6.559 246 HD1 TRP 39 HD TRP 39 -7.383 9.469 -5.536 247 HE1 TRP 39 1HE TRP 39 -8.574 10.794 -7.483 248 HE3 TRP 39 3HE TRP 39 -8.054 5.446 -8.575 249 HZ2 TRP 39 2HZ TRP 39 -9.638 10.029 -10.018 250 HZ3 TRP 39 3HZ TRP 39 -9.178 5.823 -10.768 251 HH2 TRP 39 HH TRP 39 -9.959 8.018 -11.506 252 H VAL 40 H VAL 40 -9.854 7.708 -4.083 253 HA VAL 40 HA VAL 40 -11.789 5.972 -5.453 254 HB VAL 40 HB VAL 40 -12.107 7.729 -3.013 255 1HG1 VAL 40 1HG1 VAL 40 -14.235 5.848 -3.986 256 2HG1 VAL 40 2HG1 VAL 40 -14.378 7.317 -2.991 257 3HG1 VAL 40 3HG1 VAL 40 -14.079 7.453 -4.741 258 1HG2 VAL 40 1HG2 VAL 40 -11.092 5.144 -3.210 259 2HG2 VAL 40 2HG2 VAL 40 -11.739 5.921 -1.744 260 3HG2 VAL 40 3HG2 VAL 40 -12.795 4.903 -2.752 261 H ASP 41 H ASP 41 -12.758 9.078 -4.162 262 HA ASP 41 HA ASP 41 -13.751 9.945 -6.546 263 1HB ASP 41 1HB ASP 41 -13.694 10.835 -3.916 264 2HB ASP 41 2HB ASP 41 -12.809 12.116 -4.759 265 HD2 ASP 41 HD2 ASP 41 -16.110 13.281 -4.966 266 H THR 42 H THR 42 -12.764 12.688 -6.778 267 HA THR 42 HA THR 42 -10.410 12.194 -8.342 268 HB THR 42 HB THR 42 -12.127 14.639 -7.689 269 HG1 THR 42 1HG THR 42 -13.164 13.680 -9.390 270 1HG2 THR 42 1HG2 THR 42 -9.803 15.391 -8.266 271 2HG2 THR 42 2HG2 THR 42 -9.839 14.347 -9.707 272 3HG2 THR 42 3HG2 THR 42 -10.944 15.738 -9.588 273 H GLY 43 H GLY 43 -11.179 13.964 -5.292 274 1HA GLY 43 1HA GLY 43 -8.262 14.100 -4.811 275 2HA GLY 43 2HA GLY 43 -9.406 15.323 -4.296 276 H VAL 44 H VAL 44 -10.104 11.810 -4.207 277 HA VAL 44 HA VAL 44 -9.880 11.938 -1.281 278 HB VAL 44 HB VAL 44 -11.995 10.442 -2.832 279 1HG1 VAL 44 1HG1 VAL 44 -13.064 10.722 -0.421 280 2HG1 VAL 44 2HG1 VAL 44 -11.931 9.400 -0.786 281 3HG1 VAL 44 3HG1 VAL 44 -11.358 10.854 0.065 282 1HG2 VAL 44 1HG2 VAL 44 -12.411 13.047 -1.344 283 2HG2 VAL 44 2HG2 VAL 44 -12.117 12.967 -3.097 284 3HG2 VAL 44 3HG2 VAL 44 -13.554 12.183 -2.400 285 H LEU 45 H LEU 45 -8.600 10.382 -0.403 286 HA LEU 45 HA LEU 45 -8.138 7.982 -2.015 287 1HB LEU 45 1HB LEU 45 -6.340 9.895 -2.081 288 2HB LEU 45 2HB LEU 45 -5.861 9.202 -0.522 289 HG LEU 45 HG LEU 45 -6.065 7.642 -3.112 290 1HD1 LEU 45 1HD1 LEU 45 -3.946 8.146 -3.666 291 2HD1 LEU 45 2HD1 LEU 45 -4.226 9.594 -2.668 292 3HD1 LEU 45 3HD1 LEU 45 -3.395 8.181 -1.973 293 1HD2 LEU 45 1HD2 LEU 45 -4.622 6.863 -0.573 294 2HD2 LEU 45 2HD2 LEU 45 -6.310 6.411 -0.908 295 3HD2 LEU 45 3HD2 LEU 45 -5.009 5.853 -1.987 296 H ALA 46 H ALA 46 -9.238 6.506 -0.795 297 HA ALA 46 HA ALA 46 -9.312 6.717 2.048 298 1HB ALA 46 1HB ALA 46 -10.973 5.174 1.858 299 2HB ALA 46 2HB ALA 46 -10.893 5.579 0.126 300 3HB ALA 46 3HB ALA 46 -10.031 4.150 0.746 301 H CYS 47 H CYS 47 -7.419 6.441 3.160 302 HA CYS 47 HA CYS 47 -5.495 4.540 2.194 303 1HB CYS 47 1HB CYS 47 -5.552 6.783 4.031 304 2HB CYS 47 2HB CYS 47 -4.658 5.404 4.696 305 H ASN 48 H ASN 48 -4.636 2.809 3.715 306 HA ASN 48 HA ASN 48 -6.855 1.778 5.298 307 1HB ASN 48 1HB ASN 48 -6.041 0.453 3.245 308 2HB ASN 48 2HB ASN 48 -4.535 0.165 4.129 309 1HD2 ASN 48 1HD2 ASN 48 -7.999 0.238 4.973 310 2HD2 ASN 48 2HD2 ASN 48 -8.077 -1.326 5.713 311 HA PRO 49 HA PRO 49 -3.504 2.630 8.228 312 1HB PRO 49 1HB PRO 49 -5.079 3.534 10.270 313 2HB PRO 49 2HB PRO 49 -4.363 4.597 9.061 314 1HG PRO 49 1HG PRO 49 -7.135 3.624 9.329 315 2HG PRO 49 2HG PRO 49 -6.530 5.053 8.414 316 1HD PRO 49 1HD PRO 49 -7.378 2.515 7.395 317 2HD PRO 49 2HD PRO 49 -6.640 3.831 6.471 318 H ALA 50 H ALA 50 -4.511 0.084 7.581 319 HA ALA 50 HA ALA 50 -4.421 -1.037 10.288 320 1HB ALA 50 1HB ALA 50 -6.346 -1.723 8.037 321 2HB ALA 50 2HB ALA 50 -6.075 -2.770 9.451 322 3HB ALA 50 3HB ALA 50 -6.744 -1.135 9.670 323 H ASP 51 H ASP 51 -2.863 -0.600 7.431 324 HA ASP 51 HA ASP 51 -2.253 -2.919 6.315 325 1HB ASP 51 1HB ASP 51 0.224 -1.946 6.329 326 2HB ASP 51 2HB ASP 51 -1.059 -1.136 5.417 327 HD2 ASP 51 HD2 ASP 51 0.490 0.661 8.599 328 H PHE 52 H PHE 52 -0.712 -1.534 9.312 329 HA PHE 52 HA PHE 52 0.286 -2.475 11.038 330 1HB PHE 52 1HB PHE 52 -1.572 -4.482 9.958 331 2HB PHE 52 2HB PHE 52 -0.165 -5.290 10.655 332 HD1 PHE 52 1HD PHE 52 -3.231 -5.076 11.501 333 HD2 PHE 52 2HD PHE 52 0.379 -3.328 12.885 334 HE1 PHE 52 1HE PHE 52 -4.235 -4.813 13.786 335 HE2 PHE 52 2HE PHE 52 -0.624 -3.065 15.170 336 HZ PHE 52 HZ PHE 52 -2.919 -3.810 15.593 337 H SER 53 H SER 53 0.551 -4.760 8.218 338 HA SER 53 HA SER 53 2.783 -6.017 8.686 339 1HB SER 53 1HB SER 53 1.706 -4.736 6.205 340 2HB SER 53 2HB SER 53 3.347 -5.402 6.116 341 HG SER 53 HG SER 53 2.345 -7.264 5.775 342 H SER 54 H SER 54 5.120 -5.697 8.289 343 HA SER 54 HA SER 54 5.904 -2.913 8.137 344 1HB SER 54 1HB SER 54 7.624 -3.418 9.979 345 2HB SER 54 2HB SER 54 5.942 -3.206 10.498 346 HG SER 54 HG SER 54 7.157 -5.777 9.954 347 H VAL 55 H VAL 55 7.849 -2.607 6.988 348 HA VAL 55 HA VAL 55 9.256 -5.067 6.220 349 HB VAL 55 HB VAL 55 7.909 -4.453 4.364 350 1HG1 VAL 55 1HG1 VAL 55 8.245 -2.104 3.330 351 2HG1 VAL 55 2HG1 VAL 55 7.191 -2.259 4.757 352 3HG1 VAL 55 3HG1 VAL 55 8.853 -1.644 4.938 353 1HG2 VAL 55 1HG2 VAL 55 10.167 -5.134 3.781 354 2HG2 VAL 55 2HG2 VAL 55 9.612 -3.873 2.653 355 3HG2 VAL 55 3HG2 VAL 55 10.751 -3.462 3.958 356 H THR 56 H THR 56 11.550 -4.656 5.540 357 HA THR 56 HA THR 56 12.615 -2.310 6.972 358 HB THR 56 HB THR 56 13.438 -5.235 6.878 359 HG1 THR 56 1HG THR 56 12.684 -4.848 8.920 360 1HG2 THR 56 1HG2 THR 56 15.461 -4.200 8.290 361 2HG2 THR 56 2HG2 THR 56 15.604 -4.367 6.523 362 3HG2 THR 56 3HG2 THR 56 15.191 -2.790 7.238 363 H ALA 57 H ALA 57 14.536 -1.323 6.118 364 HA ALA 57 HA ALA 57 14.499 -1.388 3.233 365 1HB ALA 57 1HB ALA 57 15.887 0.598 3.428 366 2HB ALA 57 2HB ALA 57 14.538 0.726 4.582 367 3HB ALA 57 3HB ALA 57 16.163 0.282 5.157 368 H ASP 58 H ASP 58 16.780 -1.253 2.127 369 HA ASP 58 HA ASP 58 18.495 -3.223 3.415 370 1HB ASP 58 1HB ASP 58 19.027 -3.945 0.985 371 2HB ASP 58 2HB ASP 58 17.485 -4.475 1.672 372 HD2 ASP 58 HD2 ASP 58 16.256 -3.331 -1.343 373 H ALA 59 H ALA 59 20.556 -2.349 3.678 374 HA ALA 59 HA ALA 59 22.043 -0.627 3.624 375 1HB ALA 59 1HB ALA 59 23.045 -2.399 2.336 376 2HB ALA 59 2HB ALA 59 22.116 -1.948 0.886 377 3HB ALA 59 3HB ALA 59 23.394 -0.870 1.495 378 H ASN 60 H ASN 60 21.331 -0.314 0.138 379 HA ASN 60 HA ASN 60 21.490 2.266 -0.121 380 1HB ASN 60 1HB ASN 60 19.794 0.191 -1.390 381 2HB ASN 60 2HB ASN 60 19.170 1.832 -1.621 382 1HD2 ASN 60 1HD2 ASN 60 20.006 3.040 -3.156 383 2HD2 ASN 60 2HD2 ASN 60 21.466 2.738 -4.038 384 H GLY 61 H GLY 61 18.535 0.511 1.053 385 1HA GLY 61 1HA GLY 61 17.484 1.690 2.995 386 2HA GLY 61 2HA GLY 61 17.422 3.099 1.955 387 H SER 62 H SER 62 17.078 0.461 -0.096 388 HA SER 62 HA SER 62 14.308 0.998 -0.381 389 1HB SER 62 1HB SER 62 16.183 -0.959 -1.760 390 2HB SER 62 2HB SER 62 14.490 -0.733 -2.232 391 HG SER 62 HG SER 62 16.715 0.785 -2.842 392 H ALA 63 H ALA 63 12.549 -0.341 0.173 393 HA ALA 63 HA ALA 63 12.996 -2.195 2.257 394 1HB ALA 63 1HB ALA 63 10.437 -2.062 0.675 395 2HB ALA 63 2HB ALA 63 10.677 -2.208 2.433 396 3HB ALA 63 3HB ALA 63 10.945 -0.646 1.625 397 H SER 64 H SER 64 12.193 -4.506 2.198 398 HA SER 64 HA SER 64 12.018 -5.752 -0.323 399 1HB SER 64 1HB SER 64 14.061 -7.231 0.053 400 2HB SER 64 2HB SER 64 14.402 -5.564 -0.444 401 HG SER 64 HG SER 64 14.750 -6.828 2.107 402 H THR 65 H THR 65 10.223 -6.926 0.335 403 HA THR 65 HA THR 65 10.515 -9.194 1.895 404 HB THR 65 HB THR 65 10.649 -7.061 3.587 405 HG1 THR 65 1HG THR 65 10.155 -8.738 5.070 406 1HG2 THR 65 1HG2 THR 65 7.691 -7.842 3.392 407 2HG2 THR 65 2HG2 THR 65 8.414 -6.895 4.715 408 3HG2 THR 65 3HG2 THR 65 8.358 -6.224 3.067 409 H SER 66 H SER 66 8.211 -10.048 2.601 410 HA SER 66 HA SER 66 6.659 -9.744 0.219 411 1HB SER 66 1HB SER 66 6.155 -11.470 2.676 412 2HB SER 66 2HB SER 66 5.350 -11.635 1.104 413 HG SER 66 HG SER 66 7.926 -11.744 0.527 414 H LEU 67 H LEU 67 4.965 -8.325 0.024 415 HA LEU 67 HA LEU 67 3.744 -7.390 2.528 416 1HB LEU 67 1HB LEU 67 4.760 -6.001 0.158 417 2HB LEU 67 2HB LEU 67 3.149 -5.476 0.678 418 HG LEU 67 HG LEU 67 4.004 -4.902 2.870 419 1HD1 LEU 67 1HD1 LEU 67 5.781 -5.903 3.736 420 2HD1 LEU 67 2HD1 LEU 67 6.134 -6.675 2.171 421 3HD1 LEU 67 3HD1 LEU 67 6.821 -5.077 2.550 422 1HD2 LEU 67 1HD2 LEU 67 4.489 -2.910 2.033 423 2HD2 LEU 67 2HD2 LEU 67 6.117 -3.478 1.594 424 3HD2 LEU 67 3HD2 LEU 67 4.776 -3.641 0.436 425 H THR 68 H THR 68 1.507 -7.441 2.714 426 HA THR 68 HA THR 68 0.174 -9.189 0.865 427 HB THR 68 HB THR 68 -0.325 -9.457 3.207 428 HG1 THR 68 1HG THR 68 -2.608 -8.962 3.069 429 1HG2 THR 68 1HG2 THR 68 -0.002 -7.633 4.566 430 2HG2 THR 68 2HG2 THR 68 -0.193 -6.497 3.208 431 3HG2 THR 68 3HG2 THR 68 -1.629 -7.125 4.052 432 H VAL 69 H VAL 69 -0.736 -8.616 -0.996 433 HA VAL 69 HA VAL 69 -1.258 -5.803 -1.445 434 HB VAL 69 HB VAL 69 -1.635 -8.135 -3.324 435 1HG1 VAL 69 1HG1 VAL 69 -1.690 -5.174 -3.561 436 2HG1 VAL 69 2HG1 VAL 69 -0.849 -6.054 -4.860 437 3HG1 VAL 69 3HG1 VAL 69 -2.553 -6.420 -4.495 438 1HG2 VAL 69 1HG2 VAL 69 0.806 -6.703 -3.821 439 2HG2 VAL 69 2HG2 VAL 69 0.798 -7.278 -2.136 440 3HG2 VAL 69 3HG2 VAL 69 0.569 -8.432 -3.473 441 H ARG 70 H ARG 70 -2.936 -6.111 0.452 442 HA ARG 70 HA ARG 70 -5.239 -7.537 -0.025 443 1HB ARG 70 1HB ARG 70 -5.004 -4.915 1.519 444 2HB ARG 70 2HB ARG 70 -6.223 -6.174 1.772 445 1HG ARG 70 1HG ARG 70 -4.838 -7.321 3.135 446 2HG ARG 70 2HG ARG 70 -3.532 -7.297 1.937 447 1HD ARG 70 1HD ARG 70 -4.073 -4.725 3.355 448 2HD ARG 70 2HD ARG 70 -3.401 -6.023 4.354 449 HE ARG 70 HE ARG 70 -1.869 -5.955 1.985 450 1HH1 ARG 70 1HH1 ARG 70 -2.574 -3.792 4.670 451 2HH1 ARG 70 2HH1 ARG 70 -1.058 -2.961 4.566 452 1HH2 ARG 70 1HH2 ARG 70 0.132 -4.859 1.848 453 2HH2 ARG 70 2HH2 ARG 70 0.492 -3.573 2.950 454 H ARG 71 H ARG 71 -7.269 -6.982 -0.976 455 HA ARG 71 HA ARG 71 -7.139 -4.561 -2.582 456 1HB ARG 71 1HB ARG 71 -9.187 -5.999 -3.697 457 2HB ARG 71 2HB ARG 71 -7.502 -6.130 -4.232 458 1HG ARG 71 1HG ARG 71 -7.168 -8.149 -3.100 459 2HG ARG 71 2HG ARG 71 -8.469 -7.845 -1.936 460 1HD ARG 71 1HD ARG 71 -9.274 -8.051 -4.807 461 2HD ARG 71 2HD ARG 71 -8.706 -9.550 -4.059 462 HE ARG 71 HE ARG 71 -10.559 -8.267 -2.293 463 1HH1 ARG 71 1HH1 ARG 71 -10.500 -9.952 -5.382 464 2HH1 ARG 71 2HH1 ARG 71 -12.129 -10.524 -5.246 465 1HH2 ARG 71 1HH2 ARG 71 -12.710 -9.021 -2.114 466 2HH2 ARG 71 2HH2 ARG 71 -13.395 -9.991 -3.375 467 H SER 72 H SER 72 -9.819 -6.759 -1.468 468 HA SER 72 HA SER 72 -11.553 -4.594 -1.104 469 1HB SER 72 1HB SER 72 -12.550 -6.675 -1.614 470 2HB SER 72 2HB SER 72 -11.639 -7.534 -0.360 471 HG SER 72 HG SER 72 -14.068 -6.185 -0.212 472 H PHE 73 H PHE 73 -10.376 -3.136 0.335 473 HA PHE 73 HA PHE 73 -10.533 -4.027 3.121 474 1HB PHE 73 1HB PHE 73 -8.335 -3.186 3.501 475 2HB PHE 73 2HB PHE 73 -8.168 -3.885 1.886 476 HD1 PHE 73 1HD PHE 73 -9.073 -0.655 3.528 477 HD2 PHE 73 2HD PHE 73 -7.205 -2.584 0.243 478 HE1 PHE 73 1HE PHE 73 -8.300 1.570 2.662 479 HE2 PHE 73 2HE PHE 73 -6.431 -0.358 -0.624 480 HZ PHE 73 HZ PHE 73 -6.988 1.692 0.596 481 H GLU 74 H GLU 74 -10.966 -2.329 4.670 482 HA GLU 74 HA GLU 74 -12.565 -0.282 3.525 483 1HB GLU 74 1HB GLU 74 -12.972 0.344 5.917 484 2HB GLU 74 2HB GLU 74 -13.306 -1.362 5.574 485 1HG GLU 74 1HG GLU 74 -10.534 -1.103 6.301 486 2HG GLU 74 2HG GLU 74 -11.495 -0.238 7.510 487 HE2 GLU 74 HE2 GLU 74 -12.280 -3.244 8.950 488 H GLY 75 H GLY 75 -11.877 1.718 2.900 489 1HA GLY 75 1HA GLY 75 -9.278 2.646 3.956 490 2HA GLY 75 2HA GLY 75 -9.945 3.040 2.384 491 H PHE 76 H PHE 76 -9.064 4.869 4.575 492 HA PHE 76 HA PHE 76 -11.648 6.130 5.160 493 1HB PHE 76 1HB PHE 76 -8.925 5.937 6.512 494 2HB PHE 76 2HB PHE 76 -9.954 7.326 6.878 495 HD1 PHE 76 1HD PHE 76 -11.058 7.111 8.878 496 HD2 PHE 76 2HD PHE 76 -10.460 3.634 6.521 497 HE1 PHE 76 1HE PHE 76 -12.267 5.738 10.596 498 HE2 PHE 76 2HE PHE 76 -11.670 2.261 8.240 499 HZ PHE 76 HZ PHE 76 -12.559 3.329 10.257 500 H LEU 77 H LEU 77 -12.033 8.200 4.427 501 HA LEU 77 HA LEU 77 -10.822 9.252 2.304 502 1HB LEU 77 1HB LEU 77 -12.319 10.407 4.589 503 2HB LEU 77 2HB LEU 77 -11.521 11.537 3.479 504 HG LEU 77 HG LEU 77 -12.759 10.410 1.599 505 1HD1 LEU 77 1HD1 LEU 77 -14.939 9.247 2.553 506 2HD1 LEU 77 2HD1 LEU 77 -13.446 8.329 2.241 507 3HD1 LEU 77 3HD1 LEU 77 -13.845 8.842 3.897 508 1HD2 LEU 77 1HD2 LEU 77 -15.040 11.329 3.075 509 2HD2 LEU 77 2HD2 LEU 77 -13.632 12.342 3.475 510 3HD2 LEU 77 3HD2 LEU 77 -14.132 12.141 1.778 511 H PHE 78 H PHE 78 -9.992 10.278 5.696 512 HA PHE 78 HA PHE 78 -7.389 10.022 5.752 513 1HB PHE 78 1HB PHE 78 -6.771 11.112 3.766 514 2HB PHE 78 2HB PHE 78 -8.224 12.119 3.755 515 HD1 PHE 78 1HD PHE 78 -8.053 14.363 4.334 516 HD2 PHE 78 2HD PHE 78 -4.970 11.699 5.522 517 HE1 PHE 78 1HE PHE 78 -6.693 16.304 5.160 518 HE2 PHE 78 2HE PHE 78 -3.611 13.640 6.348 519 HZ PHE 78 HZ PHE 78 -4.489 15.920 6.156 520 H ASP 79 H ASP 79 -10.193 12.049 6.258 521 HA ASP 79 HA ASP 79 -8.830 13.456 8.391 522 1HB ASP 79 1HB ASP 79 -11.264 13.881 6.730 523 2HB ASP 79 2HB ASP 79 -11.421 14.389 8.419 524 HD2 ASP 79 HD2 ASP 79 -10.053 17.046 6.226 525 H GLY 80 H GLY 80 -11.553 11.219 7.620 526 1HA GLY 80 1HA GLY 80 -11.450 9.844 10.048 527 2HA GLY 80 2HA GLY 80 -12.685 11.079 10.197 528 H THR 81 H THR 81 -13.405 11.103 7.311 529 HA THR 81 HA THR 81 -15.403 9.147 7.364 530 HB THR 81 HB THR 81 -14.283 10.526 4.882 531 HG1 THR 81 1HG THR 81 -14.564 12.282 6.235 532 1HG2 THR 81 1HG2 THR 81 -16.229 9.311 4.259 533 2HG2 THR 81 2HG2 THR 81 -16.991 9.541 5.851 534 3HG2 THR 81 3HG2 THR 81 -16.900 10.898 4.703 535 H ARG 82 H ARG 82 -15.740 7.474 5.583 536 HA ARG 82 HA ARG 82 -13.432 6.355 4.454 537 1HB ARG 82 1HB ARG 82 -13.479 4.187 5.712 538 2HB ARG 82 2HB ARG 82 -13.016 5.549 6.747 539 1HG ARG 82 1HG ARG 82 -15.933 5.007 6.616 540 2HG ARG 82 2HG ARG 82 -14.981 3.704 7.348 541 1HD ARG 82 1HD ARG 82 -14.138 5.148 9.052 542 2HD ARG 82 2HD ARG 82 -14.629 6.611 8.185 543 HE ARG 82 HE ARG 82 -16.957 5.047 8.692 544 1HH1 ARG 82 1HH1 ARG 82 -14.551 6.893 10.476 545 2HH1 ARG 82 2HH1 ARG 82 -15.626 7.279 11.778 546 1HH2 ARG 82 1HH2 ARG 82 -18.377 5.556 10.409 547 2HH2 ARG 82 2HH2 ARG 82 -17.817 6.514 11.740 548 H TRP 83 H TRP 83 -14.004 4.282 3.228 549 HA TRP 83 HA TRP 83 -16.815 4.421 2.451 550 1HB TRP 83 1HB TRP 83 -14.634 2.897 1.053 551 2HB TRP 83 2HB TRP 83 -16.181 3.450 0.409 552 HD1 TRP 83 HD TRP 83 -12.592 4.587 0.878 553 HE1 TRP 83 1HE TRP 83 -12.165 6.980 -0.145 554 HE3 TRP 83 3HE TRP 83 -17.490 5.689 0.066 555 HZ2 TRP 83 2HZ TRP 83 -13.884 9.022 -1.158 556 HZ3 TRP 83 3HZ TRP 83 -18.029 7.904 -0.944 557 HH2 TRP 83 HH TRP 83 -16.321 9.543 -1.550 558 H GLY 84 H GLY 84 -14.226 1.914 3.002 559 1HA GLY 84 1HA GLY 84 -14.480 0.179 4.583 560 2HA GLY 84 2HA GLY 84 -16.223 0.294 4.435 561 H THR 85 H THR 85 -14.270 -2.025 4.052 562 HA THR 85 HA THR 85 -13.662 -3.526 2.439 563 HB THR 85 HB THR 85 -16.016 -3.959 3.549 564 HG1 THR 85 1HG THR 85 -15.529 -5.891 2.580 565 1HG2 THR 85 1HG2 THR 85 -17.915 -3.712 2.251 566 2HG2 THR 85 2HG2 THR 85 -16.966 -2.438 1.446 567 3HG2 THR 85 3HG2 THR 85 -17.040 -4.073 0.744 568 H VAL 86 H VAL 86 -13.001 -1.167 1.291 569 HA VAL 86 HA VAL 86 -14.386 -0.887 -1.211 570 HB VAL 86 HB VAL 86 -12.929 0.763 0.408 571 1HG1 VAL 86 1HG1 VAL 86 -10.804 -0.256 -0.293 572 2HG1 VAL 86 2HG1 VAL 86 -11.178 0.125 -1.991 573 3HG1 VAL 86 3HG1 VAL 86 -10.918 1.441 -0.820 574 1HG2 VAL 86 1HG2 VAL 86 -13.429 2.438 -1.139 575 2HG2 VAL 86 2HG2 VAL 86 -13.195 1.359 -2.535 576 3HG2 VAL 86 3HG2 VAL 86 -14.636 1.182 -1.506 577 H ASP 87 H ASP 87 -14.041 -2.136 -2.969 578 HA ASP 87 HA ASP 87 -11.994 -4.051 -2.927 579 1HB ASP 87 1HB ASP 87 -14.169 -3.175 -4.772 580 2HB ASP 87 2HB ASP 87 -12.813 -4.012 -5.545 581 HD2 ASP 87 HD2 ASP 87 -14.740 -6.207 -2.843 582 H CYS 88 H CYS 88 -9.853 -3.309 -3.127 583 HA CYS 88 HA CYS 88 -9.009 -0.987 -4.206 584 1HB CYS 88 1HB CYS 88 -7.682 -3.672 -4.032 585 2HB CYS 88 2HB CYS 88 -6.828 -2.253 -4.665 586 H THR 89 H THR 89 -9.772 -4.103 -5.833 587 HA THR 89 HA THR 89 -8.748 -3.474 -8.357 588 HB THR 89 HB THR 89 -9.512 -5.738 -7.414 589 HG1 THR 89 1HG THR 89 -9.456 -6.081 -9.598 590 1HG2 THR 89 1HG2 THR 89 -11.980 -6.199 -8.140 591 2HG2 THR 89 2HG2 THR 89 -11.737 -5.365 -6.586 592 3HG2 THR 89 3HG2 THR 89 -12.201 -4.436 -8.032 593 H THR 90 H THR 90 -11.612 -2.337 -6.659 594 HA THR 90 HA THR 90 -12.929 -1.463 -9.058 595 HB THR 90 HB THR 90 -13.360 -0.969 -6.067 596 HG1 THR 90 1HG THR 90 -14.553 -2.589 -8.207 597 1HG2 THR 90 1HG2 THR 90 -14.675 0.764 -6.943 598 2HG2 THR 90 2HG2 THR 90 -14.824 -0.021 -8.534 599 3HG2 THR 90 3HG2 THR 90 -15.798 -0.600 -7.160 600 H ALA 91 H ALA 91 -10.526 -0.177 -6.811 601 HA ALA 91 HA ALA 91 -10.505 2.256 -8.448 602 1HB ALA 91 1HB ALA 91 -11.286 2.056 -5.711 603 2HB ALA 91 2HB ALA 91 -9.684 2.832 -5.748 604 3HB ALA 91 3HB ALA 91 -11.034 3.530 -6.677 605 H ALA 92 H ALA 92 -8.978 -0.192 -8.762 606 HA ALA 92 HA ALA 92 -6.862 -1.033 -8.381 607 1HB ALA 92 1HB ALA 92 -7.291 0.553 -10.526 608 2HB ALA 92 2HB ALA 92 -5.945 1.444 -9.777 609 3HB ALA 92 3HB ALA 92 -5.739 -0.266 -10.228 610 H CYS 93 H CYS 93 -7.154 -0.381 -5.916 611 HA CYS 93 HA CYS 93 -5.972 1.874 -4.899 612 1HB CYS 93 1HB CYS 93 -6.288 0.953 -2.893 613 2HB CYS 93 2HB CYS 93 -7.270 -0.193 -3.823 614 H GLN 94 H GLN 94 -3.861 1.176 -3.205 615 HA GLN 94 HA GLN 94 -1.872 -0.079 -4.877 616 1HB GLN 94 1HB GLN 94 -0.291 1.880 -4.335 617 2HB GLN 94 2HB GLN 94 -1.514 2.159 -5.587 618 1HG GLN 94 1HG GLN 94 -1.965 2.875 -2.668 619 2HG GLN 94 2HG GLN 94 -1.207 4.006 -3.801 620 1HE2 GLN 94 1HE2 GLN 94 -2.428 4.225 -5.927 621 2HE2 GLN 94 2HE2 GLN 94 -4.147 4.427 -5.832 622 H VAL 95 H VAL 95 0.170 -0.558 -3.626 623 HA VAL 95 HA VAL 95 -0.193 -0.402 -0.737 624 HB VAL 95 HB VAL 95 -1.173 -2.517 -1.344 625 1HG1 VAL 95 1HG1 VAL 95 0.055 -2.704 -3.551 626 2HG1 VAL 95 2HG1 VAL 95 1.452 -3.314 -2.632 627 3HG1 VAL 95 3HG1 VAL 95 -0.084 -4.214 -2.618 628 1HG2 VAL 95 1HG2 VAL 95 -0.123 -3.774 0.258 629 2HG2 VAL 95 2HG2 VAL 95 1.507 -3.401 -0.356 630 3HG2 VAL 95 3HG2 VAL 95 0.618 -2.191 0.601 631 H GLY 96 H GLY 96 1.580 0.683 -0.062 632 1HA GLY 96 1HA GLY 96 4.183 -0.178 -1.139 633 2HA GLY 96 2HA GLY 96 3.752 1.520 -1.152 634 H LEU 97 H LEU 97 5.849 1.469 0.247 635 HA LEU 97 HA LEU 97 5.585 0.461 2.893 636 1HB LEU 97 1HB LEU 97 7.747 0.873 3.044 637 2HB LEU 97 2HB LEU 97 7.660 1.125 1.292 638 HG LEU 97 HG LEU 97 8.964 2.875 2.307 639 1HD1 LEU 97 1HD1 LEU 97 6.792 4.682 1.884 640 2HD1 LEU 97 2HD1 LEU 97 8.144 4.276 0.800 641 3HD1 LEU 97 3HD1 LEU 97 6.639 3.329 0.739 642 1HD2 LEU 97 1HD2 LEU 97 8.498 3.978 4.215 643 2HD2 LEU 97 2HD2 LEU 97 6.753 4.064 3.875 644 3HD2 LEU 97 3HD2 LEU 97 7.459 2.567 4.530 645 H SER 98 H SER 98 5.524 1.764 4.872 646 HA SER 98 HA SER 98 4.493 4.434 4.477 647 1HB SER 98 1HB SER 98 2.887 2.140 5.264 648 2HB SER 98 2HB SER 98 2.893 3.356 6.553 649 HG SER 98 HG SER 98 1.289 4.128 5.303 650 H ASP 99 H ASP 99 6.314 5.364 5.473 651 HA ASP 99 HA ASP 99 7.192 4.241 7.964 652 1HB ASP 99 1HB ASP 99 8.636 6.553 7.642 653 2HB ASP 99 2HB ASP 99 9.114 4.984 6.976 654 HD2 ASP 99 HD2 ASP 99 9.338 6.871 4.076 655 H ALA 100 H ALA 100 7.912 6.328 9.563 656 HA ALA 100 HA ALA 100 5.361 7.543 10.213 657 1HB ALA 100 1HB ALA 100 6.658 6.414 11.966 658 2HB ALA 100 2HB ALA 100 8.046 7.482 11.648 659 3HB ALA 100 3HB ALA 100 6.538 8.156 12.310 660 H ALA 101 H ALA 101 7.311 8.286 7.858 661 HA ALA 101 HA ALA 101 6.801 11.064 8.010 662 1HB ALA 101 1HB ALA 101 8.952 11.950 8.325 663 2HB ALA 101 2HB ALA 101 8.883 10.640 9.529 664 3HB ALA 101 3HB ALA 101 9.749 10.393 7.994 665 H GLY 102 H GLY 102 5.946 9.142 6.234 666 1HA GLY 102 1HA GLY 102 6.902 10.149 3.764 667 2HA GLY 102 2HA GLY 102 7.578 8.560 4.063 668 H ASN 103 H ASN 103 5.302 7.526 5.639 669 HA ASN 103 HA ASN 103 3.898 6.283 3.742 670 1HB ASN 103 1HB ASN 103 2.042 6.096 5.526 671 2HB ASN 103 2HB ASN 103 3.655 5.575 6.035 672 1HD2 ASN 103 1HD2 ASN 103 2.230 6.017 8.068 673 2HD2 ASN 103 2HD2 ASN 103 2.459 7.560 8.820 674 H GLY 104 H GLY 104 1.257 6.567 3.586 675 1HA GLY 104 1HA GLY 104 -0.500 8.221 3.558 676 2HA GLY 104 2HA GLY 104 0.688 9.430 3.112 677 HA PRO 105 HA PRO 105 -0.975 8.164 -0.837 678 1HB PRO 105 1HB PRO 105 -0.880 10.629 -2.007 679 2HB PRO 105 2HB PRO 105 -2.291 10.028 -1.142 680 1HG PRO 105 1HG PRO 105 -0.244 11.980 -0.307 681 2HG PRO 105 2HG PRO 105 -1.899 11.738 0.355 682 1HD PRO 105 1HD PRO 105 0.607 10.950 1.496 683 2HD PRO 105 2HD PRO 105 -1.004 10.550 2.108 684 H GLU 106 H GLU 106 0.687 6.787 -1.403 685 HA GLU 106 HA GLU 106 2.284 7.725 -3.421 686 1HB GLU 106 1HB GLU 106 3.343 8.338 -0.801 687 2HB GLU 106 2HB GLU 106 4.420 7.185 -1.612 688 1HG GLU 106 1HG GLU 106 4.711 8.647 -3.491 689 2HG GLU 106 2HG GLU 106 3.376 9.696 -2.987 690 HE2 GLU 106 HE2 GLU 106 5.373 11.298 -0.607 691 H GLY 107 H GLY 107 0.582 5.495 -2.749 692 1HA GLY 107 1HA GLY 107 2.338 3.227 -2.254 693 2HA GLY 107 2HA GLY 107 0.595 3.215 -2.442 694 H VAL 108 H VAL 108 1.991 1.260 -3.765 695 HA VAL 108 HA VAL 108 2.386 2.221 -6.489 696 HB VAL 108 HB VAL 108 4.090 0.813 -5.378 697 1HG1 VAL 108 1HG1 VAL 108 3.639 -1.122 -4.344 698 2HG1 VAL 108 2HG1 VAL 108 1.923 -0.667 -4.466 699 3HG1 VAL 108 3HG1 VAL 108 2.657 -1.714 -5.704 700 1HG2 VAL 108 1HG2 VAL 108 4.177 -0.949 -7.265 701 2HG2 VAL 108 2HG2 VAL 108 2.693 -0.171 -7.869 702 3HG2 VAL 108 3HG2 VAL 108 4.197 0.771 -7.722 703 H ALA 109 H ALA 109 0.732 2.161 -7.911 704 HA ALA 109 HA ALA 109 -1.747 1.048 -7.241 705 1HB ALA 109 1HB ALA 109 -1.045 2.929 -8.925 706 2HB ALA 109 2HB ALA 109 -0.856 1.586 -10.077 707 3HB ALA 109 3HB ALA 109 -2.437 1.890 -9.314 708 H ILE 110 H ILE 110 -2.143 -1.093 -6.979 709 HA ILE 110 HA ILE 110 -0.813 -2.911 -8.866 710 HB ILE 110 HB ILE 110 -1.670 -3.304 -6.001 711 1HG1 ILE 110 1HG1 ILE 110 1.027 -3.443 -7.366 712 2HG1 ILE 110 2HG1 ILE 110 0.466 -2.153 -6.288 713 1HG2 ILE 110 1HG2 ILE 110 -1.345 -5.262 -8.165 714 2HG2 ILE 110 2HG2 ILE 110 -0.365 -5.608 -6.719 715 3HG2 ILE 110 3HG2 ILE 110 -2.128 -5.417 -6.574 716 1HD1 ILE 110 1HD1 ILE 110 1.426 -4.904 -5.659 717 2HD1 ILE 110 2HD1 ILE 110 1.535 -3.413 -4.694 718 3HD1 ILE 110 3HD1 ILE 110 0.023 -4.350 -4.715 719 H SER 111 H SER 111 -2.068 -4.608 -9.809 720 HA SER 111 HA SER 111 -4.871 -3.885 -9.897 721 1HB SER 111 1HB SER 111 -2.948 -4.730 -11.832 722 2HB SER 111 2HB SER 111 -4.195 -5.987 -11.757 723 HG SER 111 HG SER 111 -4.533 -4.107 -13.282 724 H PHE 112 H PHE 112 -6.007 -4.931 -8.275 725 HA PHE 112 HA PHE 112 -5.222 -7.599 -7.513 726 1HB PHE 112 1HB PHE 112 -7.599 -5.841 -6.691 727 2HB PHE 112 2HB PHE 112 -6.948 -7.196 -5.764 728 HD1 PHE 112 1HD PHE 112 -5.095 -6.889 -4.308 729 HD2 PHE 112 2HD PHE 112 -6.295 -3.740 -6.886 730 HE1 PHE 112 1HE PHE 112 -3.603 -5.301 -3.062 731 HE2 PHE 112 2HE PHE 112 -4.804 -2.151 -5.640 732 HZ PHE 112 HZ PHE 112 -3.475 -2.951 -3.743 733 H ASN 113 H ASN 113 -6.183 -9.478 -8.172 734 HA ASN 113 HA ASN 113 -7.463 -10.831 -9.284 735 1HB ASN 113 1HB ASN 113 -9.150 -10.155 -7.583 736 2HB ASN 113 2HB ASN 113 -9.678 -8.819 -8.618 737 1HD2 ASN 113 1HD2 ASN 113 -10.005 -12.084 -7.798 738 2HD2 ASN 113 2HD2 ASN 113 -11.075 -12.601 -9.058 Start of MODEL 4 1 H ALA 1 H ALA 1 8.117 11.959 -7.330 2 HA ALA 1 HA ALA 1 9.330 10.199 -8.443 3 1HB ALA 1 1HB ALA 1 10.901 11.336 -9.748 4 2HB ALA 1 2HB ALA 1 11.438 12.360 -8.394 5 3HB ALA 1 3HB ALA 1 11.917 10.647 -8.460 6 H ALA 2 H ALA 2 11.958 11.513 -6.466 7 HA ALA 2 HA ALA 2 12.791 10.844 -4.524 8 1HB ALA 2 1HB ALA 2 10.243 11.889 -4.079 9 2HB ALA 2 2HB ALA 2 10.250 10.377 -3.140 10 3HB ALA 2 3HB ALA 2 11.496 11.614 -2.847 11 HA PRO 3 HA PRO 3 12.625 6.542 -4.053 12 1HB PRO 3 1HB PRO 3 13.026 6.071 -1.391 13 2HB PRO 3 2HB PRO 3 14.327 6.491 -2.504 14 1HG PRO 3 1HG PRO 3 12.947 8.143 -0.486 15 2HG PRO 3 2HG PRO 3 14.552 8.418 -1.256 16 1HD PRO 3 1HD PRO 3 12.074 9.748 -1.788 17 2HD PRO 3 2HD PRO 3 13.587 9.942 -2.681 18 H THR 4 H THR 4 11.640 4.523 -3.070 19 HA THR 4 HA THR 4 9.434 4.596 -1.472 20 HB THR 4 HB THR 4 8.017 5.912 -2.752 21 HG1 THR 4 1HG THR 4 8.100 3.527 -4.447 22 1HG2 THR 4 1HG2 THR 4 9.946 5.218 -4.952 23 2HG2 THR 4 2HG2 THR 4 8.268 5.548 -5.444 24 3HG2 THR 4 3HG2 THR 4 9.195 6.785 -4.561 25 H ALA 5 H ALA 5 7.990 2.611 -1.775 26 HA ALA 5 HA ALA 5 9.669 0.500 -2.945 27 1HB ALA 5 1HB ALA 5 9.119 -0.871 -1.146 28 2HB ALA 5 2HB ALA 5 9.194 0.724 -0.357 29 3HB ALA 5 3HB ALA 5 7.618 0.018 -0.791 30 H THR 6 H THR 6 8.428 -1.412 -3.789 31 HA THR 6 HA THR 6 5.655 -0.945 -4.433 32 HB THR 6 HB THR 6 5.924 -0.624 -6.761 33 HG1 THR 6 1HG THR 6 7.541 -1.803 -7.723 34 1HG2 THR 6 1HG2 THR 6 8.490 0.563 -5.578 35 2HG2 THR 6 2HG2 THR 6 7.801 0.986 -7.164 36 3HG2 THR 6 3HG2 THR 6 6.918 1.392 -5.672 37 H VAL 7 H VAL 7 4.738 -2.836 -5.694 38 HA VAL 7 HA VAL 7 5.995 -5.236 -4.613 39 HB VAL 7 HB VAL 7 3.290 -5.058 -5.910 40 1HG1 VAL 7 1HG1 VAL 7 3.536 -6.697 -3.526 41 2HG1 VAL 7 2HG1 VAL 7 3.046 -7.153 -5.175 42 3HG1 VAL 7 3HG1 VAL 7 4.770 -7.132 -4.734 43 1HG2 VAL 7 1HG2 VAL 7 4.159 -3.758 -3.418 44 2HG2 VAL 7 2HG2 VAL 7 2.694 -3.506 -4.396 45 3HG2 VAL 7 3HG2 VAL 7 2.758 -4.838 -3.218 46 H THR 8 H THR 8 6.821 -6.862 -5.894 47 HA THR 8 HA THR 8 7.862 -6.399 -8.320 48 HB THR 8 HB THR 8 7.016 -8.781 -6.739 49 HG1 THR 8 1HG THR 8 9.290 -9.180 -7.292 50 1HG2 THR 8 1HG2 THR 8 7.491 -8.885 -9.757 51 2HG2 THR 8 2HG2 THR 8 7.840 -10.267 -8.690 52 3HG2 THR 8 3HG2 THR 8 6.175 -9.654 -8.839 53 HA PRO 9 HA PRO 9 3.979 -7.725 -10.592 54 1HB PRO 9 1HB PRO 9 1.696 -8.354 -9.231 55 2HB PRO 9 2HB PRO 9 2.860 -9.561 -9.771 56 1HG PRO 9 1HG PRO 9 2.392 -8.448 -7.078 57 2HG PRO 9 2HG PRO 9 3.215 -9.984 -7.531 58 1HD PRO 9 1HD PRO 9 4.392 -7.525 -6.654 59 2HD PRO 9 2HD PRO 9 5.251 -8.957 -7.240 60 H SER 10 H SER 10 1.706 -6.827 -11.214 61 HA SER 10 HA SER 10 1.182 -4.416 -9.765 62 1HB SER 10 1HB SER 10 1.647 -2.863 -11.466 63 2HB SER 10 2HB SER 10 3.050 -3.946 -11.513 64 HG SER 10 HG SER 10 2.544 -4.045 -13.605 65 H SER 11 H SER 11 0.014 -7.128 -10.789 66 HA SER 11 HA SER 11 -2.571 -6.303 -11.041 67 1HB SER 11 1HB SER 11 -3.053 -6.773 -13.439 68 2HB SER 11 2HB SER 11 -2.013 -5.354 -13.224 69 HG SER 11 HG SER 11 -1.223 -8.025 -14.013 70 H GLY 12 H GLY 12 -4.050 -8.203 -11.642 71 1HA GLY 12 1HA GLY 12 -4.601 -10.383 -11.557 72 2HA GLY 12 2HA GLY 12 -2.989 -10.775 -12.119 73 H LEU 13 H LEU 13 -3.753 -8.904 -9.142 74 HA LEU 13 HA LEU 13 -2.272 -10.885 -7.627 75 1HB LEU 13 1HB LEU 13 -3.415 -8.267 -6.686 76 2HB LEU 13 2HB LEU 13 -2.152 -9.243 -5.916 77 HG LEU 13 HG LEU 13 -2.002 -7.390 -8.258 78 1HD1 LEU 13 1HD1 LEU 13 -1.313 -6.549 -6.109 79 2HD1 LEU 13 2HD1 LEU 13 -0.227 -7.938 -5.866 80 3HD1 LEU 13 3HD1 LEU 13 0.122 -6.749 -7.144 81 1HD2 LEU 13 1HD2 LEU 13 0.213 -9.373 -7.889 82 2HD2 LEU 13 2HD2 LEU 13 -1.212 -9.818 -8.860 83 3HD2 LEU 13 3HD2 LEU 13 -0.232 -8.404 -9.315 84 H SER 14 H SER 14 -3.902 -9.861 -5.177 85 HA SER 14 HA SER 14 -6.492 -10.869 -5.600 86 1HB SER 14 1HB SER 14 -4.837 -12.933 -5.460 87 2HB SER 14 2HB SER 14 -4.911 -12.620 -3.718 88 HG SER 14 HG SER 14 -6.602 -14.078 -5.060 89 H ASP 15 H ASP 15 -7.743 -10.904 -3.458 90 HA ASP 15 HA ASP 15 -7.119 -8.617 -2.030 91 1HB ASP 15 1HB ASP 15 -9.396 -9.614 -2.286 92 2HB ASP 15 2HB ASP 15 -8.920 -10.954 -1.233 93 HD2 ASP 15 HD2 ASP 15 -10.551 -8.902 1.068 94 H GLY 16 H GLY 16 -5.048 -8.729 -0.995 95 1HA GLY 16 1HA GLY 16 -3.927 -9.087 1.002 96 2HA GLY 16 2HA GLY 16 -4.914 -10.498 1.328 97 H THR 17 H THR 17 -3.298 -9.813 -1.808 98 HA THR 17 HA THR 17 -1.966 -12.375 -1.635 99 HB THR 17 HB THR 17 -2.946 -10.544 -3.672 100 HG1 THR 17 1HG THR 17 -3.032 -13.008 -3.213 101 1HG2 THR 17 1HG2 THR 17 -0.993 -11.137 -5.282 102 2HG2 THR 17 2HG2 THR 17 -0.710 -9.782 -4.165 103 3HG2 THR 17 3HG2 THR 17 -0.013 -11.383 -3.818 104 H VAL 18 H VAL 18 -0.344 -12.349 -0.128 105 HA VAL 18 HA VAL 18 1.439 -10.126 0.034 106 HB VAL 18 HB VAL 18 1.907 -12.867 1.176 107 1HG1 VAL 18 1HG1 VAL 18 2.352 -10.655 2.965 108 2HG1 VAL 18 2HG1 VAL 18 3.516 -11.841 2.328 109 3HG1 VAL 18 3HG1 VAL 18 3.178 -10.348 1.419 110 1HG2 VAL 18 1HG2 VAL 18 -0.377 -11.095 1.688 111 2HG2 VAL 18 2HG2 VAL 18 -0.123 -12.800 2.132 112 3HG2 VAL 18 3HG2 VAL 18 0.544 -11.506 3.155 113 H VAL 19 H VAL 19 2.655 -9.716 -1.775 114 HA VAL 19 HA VAL 19 4.117 -12.018 -2.874 115 HB VAL 19 HB VAL 19 4.286 -10.170 -4.817 116 1HG1 VAL 19 1HG1 VAL 19 2.975 -12.617 -4.400 117 2HG1 VAL 19 2HG1 VAL 19 1.740 -11.538 -5.091 118 3HG1 VAL 19 3HG1 VAL 19 3.274 -11.804 -5.955 119 1HG2 VAL 19 1HG2 VAL 19 1.520 -9.720 -3.651 120 2HG2 VAL 19 2HG2 VAL 19 2.872 -8.571 -3.505 121 3HG2 VAL 19 3HG2 VAL 19 2.215 -8.972 -5.110 122 H LYS 20 H LYS 20 6.285 -11.261 -3.928 123 HA LYS 20 HA LYS 20 7.826 -10.141 -1.861 124 1HB LYS 20 1HB LYS 20 8.298 -11.726 -4.022 125 2HB LYS 20 2HB LYS 20 9.001 -10.193 -4.567 126 1HG LYS 20 1HG LYS 20 10.443 -10.085 -2.636 127 2HG LYS 20 2HG LYS 20 9.598 -11.427 -1.843 128 1HD LYS 20 1HD LYS 20 10.546 -13.028 -3.272 129 2HD LYS 20 2HD LYS 20 10.888 -11.849 -4.550 130 1HE LYS 20 1HE LYS 20 12.939 -11.423 -3.701 131 2HE LYS 20 2HE LYS 20 12.295 -11.166 -2.073 132 1HZ LYS 20 1HZ LYS 20 13.747 -13.021 -2.078 133 2HZ LYS 20 2HZ LYS 20 12.232 -13.593 -1.864 134 3HZ LYS 20 3HZ LYS 20 12.963 -13.740 -3.316 135 H VAL 21 H VAL 21 8.348 -8.064 -1.380 136 HA VAL 21 HA VAL 21 7.813 -6.064 -3.460 137 HB VAL 21 HB VAL 21 7.056 -6.001 -0.536 138 1HG1 VAL 21 1HG1 VAL 21 7.869 -3.825 -2.198 139 2HG1 VAL 21 2HG1 VAL 21 6.113 -3.695 -1.938 140 3HG1 VAL 21 3HG1 VAL 21 7.215 -3.778 -0.543 141 1HG2 VAL 21 1HG2 VAL 21 4.841 -5.270 -1.948 142 2HG2 VAL 21 2HG2 VAL 21 5.599 -6.417 -3.077 143 3HG2 VAL 21 3HG2 VAL 21 5.197 -6.934 -1.422 144 H ALA 22 H ALA 22 9.353 -4.432 -3.650 145 HA ALA 22 HA ALA 22 11.464 -4.376 -1.635 146 1HB ALA 22 1HB ALA 22 11.707 -5.682 -4.146 147 2HB ALA 22 2HB ALA 22 12.612 -4.156 -4.279 148 3HB ALA 22 3HB ALA 22 13.001 -5.309 -2.981 149 H GLY 23 H GLY 23 12.818 -2.374 -1.847 150 1HA GLY 23 1HA GLY 23 13.137 -0.224 -2.747 151 2HA GLY 23 2HA GLY 23 11.506 -0.241 -3.388 152 H ALA 24 H ALA 24 12.119 2.006 -2.040 153 HA ALA 24 HA ALA 24 10.228 2.473 -0.269 154 1HB ALA 24 1HB ALA 24 10.640 0.866 1.338 155 2HB ALA 24 2HB ALA 24 12.396 0.867 1.047 156 3HB ALA 24 3HB ALA 24 11.647 2.188 1.975 157 H GLY 25 H GLY 25 11.593 3.923 1.835 158 1HA GLY 25 1HA GLY 25 12.308 6.253 0.435 159 2HA GLY 25 2HA GLY 25 12.524 5.945 2.146 160 H LEU 26 H LEU 26 14.024 3.375 0.594 161 HA LEU 26 HA LEU 26 16.161 2.796 0.469 162 1HB LEU 26 1HB LEU 26 15.930 3.707 -1.688 163 2HB LEU 26 2HB LEU 26 16.139 5.368 -1.102 164 HG LEU 26 HG LEU 26 18.502 4.262 -0.342 165 1HD1 LEU 26 1HD1 LEU 26 18.079 3.005 -3.042 166 2HD1 LEU 26 2HD1 LEU 26 19.341 2.689 -1.826 167 3HD1 LEU 26 3HD1 LEU 26 17.676 2.123 -1.549 168 1HD2 LEU 26 1HD2 LEU 26 19.047 5.112 -2.921 169 2HD2 LEU 26 2HD2 LEU 26 17.544 5.970 -2.505 170 3HD2 LEU 26 3HD2 LEU 26 18.977 6.130 -1.461 171 H GLN 27 H GLN 27 15.970 3.287 2.954 172 HA GLN 27 HA GLN 27 17.653 5.522 3.669 173 1HB GLN 27 1HB GLN 27 15.871 3.620 5.201 174 2HB GLN 27 2HB GLN 27 17.051 4.626 6.058 175 1HG GLN 27 1HG GLN 27 15.381 6.042 4.043 176 2HG GLN 27 2HG GLN 27 14.491 5.416 5.437 177 1HE2 GLN 27 1HE2 GLN 27 14.561 8.063 5.049 178 2HE2 GLN 27 2HE2 GLN 27 15.569 8.866 6.207 179 H ALA 28 H ALA 28 17.645 2.666 5.727 180 HA ALA 28 HA ALA 28 19.810 1.288 4.667 181 1HB ALA 28 1HB ALA 28 21.510 2.718 5.077 182 2HB ALA 28 2HB ALA 28 20.492 3.764 6.096 183 3HB ALA 28 3HB ALA 28 21.268 2.325 6.796 184 H GLY 29 H GLY 29 18.285 -0.344 5.353 185 1HA GLY 29 1HA GLY 29 17.548 -1.920 6.775 186 2HA GLY 29 2HA GLY 29 18.849 -1.464 7.857 187 H THR 30 H THR 30 16.801 1.202 6.996 188 HA THR 30 HA THR 30 15.862 1.410 9.691 189 HB THR 30 HB THR 30 16.453 3.148 7.597 190 HG1 THR 30 1HG THR 30 16.148 4.427 9.391 191 1HG2 THR 30 1HG2 THR 30 14.212 2.728 6.532 192 2HG2 THR 30 2HG2 THR 30 13.425 3.134 8.075 193 3HG2 THR 30 3HG2 THR 30 14.333 4.379 7.183 194 H ALA 31 H ALA 31 13.573 1.699 10.298 195 HA ALA 31 HA ALA 31 12.084 -0.529 9.393 196 1HB ALA 31 1HB ALA 31 12.132 0.595 11.712 197 2HB ALA 31 2HB ALA 31 11.040 1.814 11.012 198 3HB ALA 31 3HB ALA 31 10.541 0.107 11.082 199 H TYR 32 H TYR 32 10.061 -0.557 8.247 200 HA TYR 32 HA TYR 32 9.254 1.912 6.956 201 1HB TYR 32 1HB TYR 32 10.484 -0.588 5.711 202 2HB TYR 32 2HB TYR 32 9.295 0.324 4.774 203 HD1 TYR 32 1HD TYR 32 12.097 -0.132 3.855 204 HD2 TYR 32 2HD TYR 32 10.424 3.005 6.235 205 HE1 TYR 32 1HE TYR 32 13.935 1.446 3.080 206 HE2 TYR 32 2HE TYR 32 12.267 4.572 5.452 207 HH TYR 32 HH TYR 32 13.764 4.800 3.592 208 H ASP 33 H ASP 33 7.381 1.529 8.367 209 HA ASP 33 HA ASP 33 5.946 -0.767 8.451 210 1HB ASP 33 1HB ASP 33 5.646 1.906 9.281 211 2HB ASP 33 2HB ASP 33 4.205 1.597 8.300 212 HD2 ASP 33 HD2 ASP 33 2.764 0.164 11.034 213 H VAL 34 H VAL 34 4.596 -1.834 6.968 214 HA VAL 34 HA VAL 34 4.518 -0.934 4.297 215 HB VAL 34 HB VAL 34 3.140 -3.140 5.825 216 1HG1 VAL 34 1HG1 VAL 34 2.264 -4.029 3.789 217 2HG1 VAL 34 2HG1 VAL 34 1.763 -2.324 3.865 218 3HG1 VAL 34 3HG1 VAL 34 3.113 -2.808 2.811 219 1HG2 VAL 34 1HG2 VAL 34 4.689 -4.592 4.616 220 2HG2 VAL 34 2HG2 VAL 34 5.363 -3.190 3.754 221 3HG2 VAL 34 3HG2 VAL 34 5.581 -3.341 5.514 222 H GLY 35 H GLY 35 2.759 -0.134 3.049 223 1HA GLY 35 1HA GLY 35 0.540 0.963 4.672 224 2HA GLY 35 2HA GLY 35 1.337 1.857 3.394 225 H GLN 36 H GLN 36 -1.121 1.887 2.754 226 HA GLN 36 HA GLN 36 -1.427 0.558 0.438 227 1HB GLN 36 1HB GLN 36 -2.089 -1.164 2.730 228 2HB GLN 36 2HB GLN 36 -3.416 -1.035 1.564 229 1HG GLN 36 1HG GLN 36 -0.972 -1.337 0.093 230 2HG GLN 36 2HG GLN 36 -0.975 -2.565 1.366 231 1HE2 GLN 36 1HE2 GLN 36 -2.894 -1.120 -1.232 232 2HE2 GLN 36 2HE2 GLN 36 -3.805 -2.531 -1.656 233 H CYS 37 H CYS 37 -2.774 1.993 -0.549 234 HA CYS 37 HA CYS 37 -5.090 2.888 1.004 235 1HB CYS 37 1HB CYS 37 -3.551 4.628 -0.908 236 2HB CYS 37 2HB CYS 37 -4.881 5.108 0.160 237 H ALA 38 H ALA 38 -6.687 4.031 -0.752 238 HA ALA 38 HA ALA 38 -6.549 2.737 -3.331 239 1HB ALA 38 1HB ALA 38 -9.076 2.285 -1.765 240 2HB ALA 38 2HB ALA 38 -8.387 1.342 -3.109 241 3HB ALA 38 3HB ALA 38 -7.687 1.210 -1.478 242 H TRP 39 H TRP 39 -7.236 4.186 -4.832 243 HA TRP 39 HA TRP 39 -8.311 6.671 -3.935 244 1HB TRP 39 1HB TRP 39 -7.024 7.141 -5.688 245 2HB TRP 39 2HB TRP 39 -7.205 5.538 -6.406 246 HD1 TRP 39 HD TRP 39 -9.191 8.888 -6.191 247 HE1 TRP 39 1HE TRP 39 -10.714 9.203 -8.323 248 HE3 TRP 39 3HE TRP 39 -8.167 4.349 -8.240 249 HZ2 TRP 39 2HZ TRP 39 -11.307 7.555 -10.575 250 HZ3 TRP 39 3HZ TRP 39 -9.258 3.780 -10.408 251 HH2 TRP 39 HH TRP 39 -10.782 5.297 -11.571 252 H VAL 40 H VAL 40 -10.420 7.538 -4.525 253 HA VAL 40 HA VAL 40 -12.342 5.527 -5.428 254 HB VAL 40 HB VAL 40 -12.565 7.260 -2.961 255 1HG1 VAL 40 1HG1 VAL 40 -14.634 6.486 -4.712 256 2HG1 VAL 40 2HG1 VAL 40 -14.744 5.393 -3.311 257 3HG1 VAL 40 3HG1 VAL 40 -14.791 7.155 -3.071 258 1HG2 VAL 40 1HG2 VAL 40 -12.136 5.430 -1.722 259 2HG2 VAL 40 2HG2 VAL 40 -13.101 4.370 -2.777 260 3HG2 VAL 40 3HG2 VAL 40 -11.424 4.776 -3.216 261 H ASP 41 H ASP 41 -13.553 8.500 -4.099 262 HA ASP 41 HA ASP 41 -14.670 9.276 -6.473 263 1HB ASP 41 1HB ASP 41 -14.520 10.210 -3.774 264 2HB ASP 41 2HB ASP 41 -14.154 11.597 -4.811 265 HD2 ASP 41 HD2 ASP 41 -17.552 10.547 -6.180 266 H THR 42 H THR 42 -14.195 11.485 -7.614 267 HA THR 42 HA THR 42 -11.548 11.487 -8.564 268 HB THR 42 HB THR 42 -13.837 13.513 -8.764 269 HG1 THR 42 1HG THR 42 -14.402 12.127 -10.442 270 1HG2 THR 42 1HG2 THR 42 -12.304 14.807 -9.883 271 2HG2 THR 42 2HG2 THR 42 -11.082 13.514 -9.844 272 3HG2 THR 42 3HG2 THR 42 -12.318 13.530 -11.124 273 H GLY 43 H GLY 43 -10.075 11.633 -6.847 274 1HA GLY 43 1HA GLY 43 -8.557 13.338 -6.078 275 2HA GLY 43 2HA GLY 43 -9.934 14.345 -5.677 276 H VAL 44 H VAL 44 -11.291 11.594 -4.794 277 HA VAL 44 HA VAL 44 -10.381 11.858 -2.055 278 HB VAL 44 HB VAL 44 -12.607 10.174 -3.213 279 1HG1 VAL 44 1HG1 VAL 44 -11.587 10.690 -0.501 280 2HG1 VAL 44 2HG1 VAL 44 -13.341 10.931 -0.673 281 3HG1 VAL 44 3HG1 VAL 44 -12.610 9.369 -1.113 282 1HG2 VAL 44 1HG2 VAL 44 -12.780 12.641 -3.756 283 2HG2 VAL 44 2HG2 VAL 44 -14.132 11.964 -2.817 284 3HG2 VAL 44 3HG2 VAL 44 -12.883 12.940 -2.005 285 H LEU 45 H LEU 45 -8.979 10.478 -1.084 286 HA LEU 45 HA LEU 45 -8.614 7.860 -2.352 287 1HB LEU 45 1HB LEU 45 -6.853 9.561 -2.958 288 2HB LEU 45 2HB LEU 45 -6.346 9.517 -1.261 289 HG LEU 45 HG LEU 45 -6.509 6.836 -2.292 290 1HD1 LEU 45 1HD1 LEU 45 -5.458 6.821 -4.270 291 2HD1 LEU 45 2HD1 LEU 45 -5.984 8.518 -4.384 292 3HD1 LEU 45 3HD1 LEU 45 -4.346 8.133 -3.805 293 1HD2 LEU 45 1HD2 LEU 45 -5.143 7.143 -0.453 294 2HD2 LEU 45 2HD2 LEU 45 -3.962 7.037 -1.782 295 3HD2 LEU 45 3HD2 LEU 45 -4.407 8.625 -1.109 296 H ALA 46 H ALA 46 -9.235 6.332 -0.930 297 HA ALA 46 HA ALA 46 -9.142 6.998 1.904 298 1HB ALA 46 1HB ALA 46 -10.615 5.040 0.161 299 2HB ALA 46 2HB ALA 46 -10.383 4.650 1.883 300 3HB ALA 46 3HB ALA 46 -11.238 6.139 1.416 301 H CYS 47 H CYS 47 -7.311 6.500 2.996 302 HA CYS 47 HA CYS 47 -5.520 4.550 1.902 303 1HB CYS 47 1HB CYS 47 -5.446 6.648 3.943 304 2HB CYS 47 2HB CYS 47 -4.494 5.210 4.350 305 H ASN 48 H ASN 48 -4.584 2.851 3.554 306 HA ASN 48 HA ASN 48 -6.878 1.707 4.939 307 1HB ASN 48 1HB ASN 48 -5.750 0.464 2.950 308 2HB ASN 48 2HB ASN 48 -4.390 0.180 4.046 309 1HD2 ASN 48 1HD2 ASN 48 -5.309 -2.028 3.233 310 2HD2 ASN 48 2HD2 ASN 48 -6.390 -2.832 4.321 311 HA PRO 49 HA PRO 49 -3.875 2.701 8.175 312 1HB PRO 49 1HB PRO 49 -5.687 3.434 10.084 313 2HB PRO 49 2HB PRO 49 -4.950 4.579 8.963 314 1HG PRO 49 1HG PRO 49 -7.653 3.397 8.962 315 2HG PRO 49 2HG PRO 49 -7.079 4.889 8.133 316 1HD PRO 49 1HD PRO 49 -7.640 2.322 6.994 317 2HD PRO 49 2HD PRO 49 -6.925 3.710 6.164 318 H ALA 50 H ALA 50 -4.565 0.107 7.404 319 HA ALA 50 HA ALA 50 -4.579 -1.076 10.076 320 1HB ALA 50 1HB ALA 50 -6.269 -2.658 9.511 321 2HB ALA 50 2HB ALA 50 -6.909 -1.078 9.001 322 3HB ALA 50 3HB ALA 50 -6.235 -2.197 7.793 323 H ASP 51 H ASP 51 -2.928 -0.478 7.325 324 HA ASP 51 HA ASP 51 -2.183 -2.707 6.122 325 1HB ASP 51 1HB ASP 51 0.252 -1.679 6.301 326 2HB ASP 51 2HB ASP 51 -1.011 -0.819 5.408 327 HD2 ASP 51 HD2 ASP 51 -0.630 0.804 8.968 328 H PHE 52 H PHE 52 -0.674 -1.425 9.193 329 HA PHE 52 HA PHE 52 0.258 -2.437 10.917 330 1HB PHE 52 1HB PHE 52 -1.736 -4.231 9.919 331 2HB PHE 52 2HB PHE 52 -0.312 -5.242 10.193 332 HD1 PHE 52 1HD PHE 52 -0.400 -6.352 12.199 333 HD2 PHE 52 2HD PHE 52 -1.957 -2.410 12.004 334 HE1 PHE 52 1HE PHE 52 -0.964 -6.454 14.643 335 HE2 PHE 52 2HE PHE 52 -2.520 -2.511 14.448 336 HZ PHE 52 HZ PHE 52 -2.017 -4.532 15.738 337 H SER 53 H SER 53 0.558 -4.541 7.970 338 HA SER 53 HA SER 53 2.777 -5.863 8.465 339 1HB SER 53 1HB SER 53 1.714 -4.539 6.000 340 2HB SER 53 2HB SER 53 3.357 -5.203 5.910 341 HG SER 53 HG SER 53 2.262 -7.005 5.441 342 H SER 54 H SER 54 5.109 -5.542 8.169 343 HA SER 54 HA SER 54 5.950 -2.799 7.896 344 1HB SER 54 1HB SER 54 7.458 -3.071 9.933 345 2HB SER 54 2HB SER 54 5.730 -2.875 10.281 346 HG SER 54 HG SER 54 6.756 -4.594 11.527 347 H VAL 55 H VAL 55 8.102 -2.622 7.068 348 HA VAL 55 HA VAL 55 9.502 -5.166 6.678 349 HB VAL 55 HB VAL 55 8.436 -4.903 4.622 350 1HG1 VAL 55 1HG1 VAL 55 9.111 -1.945 4.758 351 2HG1 VAL 55 2HG1 VAL 55 8.373 -2.758 3.357 352 3HG1 VAL 55 3HG1 VAL 55 7.500 -2.686 4.907 353 1HG2 VAL 55 1HG2 VAL 55 10.871 -5.283 4.430 354 2HG2 VAL 55 2HG2 VAL 55 10.217 -4.394 3.033 355 3HG2 VAL 55 3HG2 VAL 55 11.124 -3.526 4.295 356 H THR 56 H THR 56 11.854 -4.732 5.973 357 HA THR 56 HA THR 56 12.792 -2.236 7.226 358 HB THR 56 HB THR 56 13.519 -5.132 7.702 359 HG1 THR 56 1HG THR 56 12.757 -4.296 9.602 360 1HG2 THR 56 1HG2 THR 56 15.726 -4.366 7.133 361 2HG2 THR 56 2HG2 THR 56 15.411 -2.741 7.785 362 3HG2 THR 56 3HG2 THR 56 15.613 -4.121 8.891 363 H ALA 57 H ALA 57 14.655 -1.264 6.343 364 HA ALA 57 HA ALA 57 14.873 -1.667 3.538 365 1HB ALA 57 1HB ALA 57 16.674 0.109 3.817 366 2HB ALA 57 2HB ALA 57 15.060 0.555 4.424 367 3HB ALA 57 3HB ALA 57 16.335 0.064 5.565 368 H ASP 58 H ASP 58 17.304 -1.701 2.626 369 HA ASP 58 HA ASP 58 18.730 -3.759 4.107 370 1HB ASP 58 1HB ASP 58 19.341 -4.675 1.760 371 2HB ASP 58 2HB ASP 58 17.722 -5.035 2.381 372 HD2 ASP 58 HD2 ASP 58 16.763 -3.990 -0.766 373 H ALA 59 H ALA 59 20.832 -3.027 4.460 374 HA ALA 59 HA ALA 59 22.459 -1.437 4.396 375 1HB ALA 59 1HB ALA 59 23.823 -1.910 2.222 376 2HB ALA 59 2HB ALA 59 23.530 -3.251 3.355 377 3HB ALA 59 3HB ALA 59 22.551 -3.106 1.875 378 H ASN 60 H ASN 60 21.932 -1.340 0.855 379 HA ASN 60 HA ASN 60 22.352 1.190 0.416 380 1HB ASN 60 1HB ASN 60 20.458 -0.787 -0.768 381 2HB ASN 60 2HB ASN 60 20.128 0.897 -1.203 382 1HD2 ASN 60 1HD2 ASN 60 21.004 1.463 -3.028 383 2HD2 ASN 60 2HD2 ASN 60 22.528 0.954 -3.673 384 H GLY 61 H GLY 61 19.202 -0.200 1.567 385 1HA GLY 61 1HA GLY 61 18.176 1.215 3.358 386 2HA GLY 61 2HA GLY 61 18.291 2.539 2.215 387 H SER 62 H SER 62 17.802 -0.167 0.311 388 HA SER 62 HA SER 62 15.086 0.567 -0.097 389 1HB SER 62 1HB SER 62 17.049 -1.312 -1.392 390 2HB SER 62 2HB SER 62 15.326 -1.492 -1.765 391 HG SER 62 HG SER 62 15.417 0.262 -2.991 392 H ALA 63 H ALA 63 13.215 -0.723 0.306 393 HA ALA 63 HA ALA 63 13.525 -2.580 2.468 394 1HB ALA 63 1HB ALA 63 11.637 -0.781 1.870 395 2HB ALA 63 2HB ALA 63 10.931 -2.175 1.017 396 3HB ALA 63 3HB ALA 63 11.258 -2.272 2.764 397 H SER 64 H SER 64 12.658 -4.805 2.424 398 HA SER 64 HA SER 64 12.212 -5.952 -0.144 399 1HB SER 64 1HB SER 64 14.061 -7.599 0.013 400 2HB SER 64 2HB SER 64 14.669 -5.940 -0.138 401 HG SER 64 HG SER 64 15.564 -6.080 1.813 402 H THR 65 H THR 65 10.344 -7.028 0.423 403 HA THR 65 HA THR 65 10.396 -9.293 2.016 404 HB THR 65 HB THR 65 10.576 -7.087 3.661 405 HG1 THR 65 1HG THR 65 10.097 -8.741 5.161 406 1HG2 THR 65 1HG2 THR 65 8.304 -6.248 3.118 407 2HG2 THR 65 2HG2 THR 65 7.624 -7.866 3.409 408 3HG2 THR 65 3HG2 THR 65 8.312 -6.935 4.760 409 H SER 66 H SER 66 8.060 -10.048 2.550 410 HA SER 66 HA SER 66 6.596 -9.531 0.142 411 1HB SER 66 1HB SER 66 5.960 -11.411 2.451 412 2HB SER 66 2HB SER 66 5.201 -11.433 0.848 413 HG SER 66 HG SER 66 7.837 -12.226 1.647 414 H LEU 67 H LEU 67 4.835 -8.175 -0.007 415 HA LEU 67 HA LEU 67 3.679 -7.269 2.539 416 1HB LEU 67 1HB LEU 67 4.566 -5.849 0.114 417 2HB LEU 67 2HB LEU 67 3.033 -5.303 0.815 418 HG LEU 67 HG LEU 67 4.046 -4.544 2.755 419 1HD1 LEU 67 1HD1 LEU 67 5.205 -6.361 3.615 420 2HD1 LEU 67 2HD1 LEU 67 6.216 -6.539 2.160 421 3HD1 LEU 67 3HD1 LEU 67 6.501 -5.186 3.281 422 1HD2 LEU 67 1HD2 LEU 67 6.521 -3.831 1.543 423 2HD2 LEU 67 2HD2 LEU 67 5.268 -3.832 0.279 424 3HD2 LEU 67 3HD2 LEU 67 5.051 -2.848 1.746 425 H THR 68 H THR 68 1.436 -7.267 2.760 426 HA THR 68 HA THR 68 0.056 -9.008 0.930 427 HB THR 68 HB THR 68 -0.382 -9.292 3.287 428 HG1 THR 68 1HG THR 68 -2.481 -9.358 2.589 429 1HG2 THR 68 1HG2 THR 68 -0.191 -6.358 3.323 430 2HG2 THR 68 2HG2 THR 68 -1.691 -6.916 4.100 431 3HG2 THR 68 3HG2 THR 68 -0.115 -7.500 4.686 432 H VAL 69 H VAL 69 -0.907 -8.414 -0.898 433 HA VAL 69 HA VAL 69 -1.434 -5.590 -1.293 434 HB VAL 69 HB VAL 69 -1.904 -7.819 -3.258 435 1HG1 VAL 69 1HG1 VAL 69 -1.922 -4.915 -3.315 436 2HG1 VAL 69 2HG1 VAL 69 -0.769 -5.576 -4.498 437 3HG1 VAL 69 3HG1 VAL 69 -2.476 -6.081 -4.539 438 1HG2 VAL 69 1HG2 VAL 69 0.728 -6.460 -3.344 439 2HG2 VAL 69 2HG2 VAL 69 0.497 -7.607 -2.002 440 3HG2 VAL 69 3HG2 VAL 69 0.294 -8.153 -3.683 441 H ARG 70 H ARG 70 -3.078 -6.033 0.645 442 HA ARG 70 HA ARG 70 -5.328 -7.454 0.340 443 1HB ARG 70 1HB ARG 70 -5.174 -4.623 1.471 444 2HB ARG 70 2HB ARG 70 -6.394 -5.838 1.890 445 1HG ARG 70 1HG ARG 70 -5.029 -6.727 3.446 446 2HG ARG 70 2HG ARG 70 -3.732 -6.947 2.258 447 1HD ARG 70 1HD ARG 70 -4.126 -4.139 3.110 448 2HD ARG 70 2HD ARG 70 -3.648 -5.217 4.431 449 HE ARG 70 HE ARG 70 -1.964 -5.814 2.244 450 1HH1 ARG 70 1HH1 ARG 70 -2.634 -3.051 4.317 451 2HH1 ARG 70 2HH1 ARG 70 -1.041 -2.386 4.162 452 1HH2 ARG 70 1HH2 ARG 70 0.137 -4.939 2.040 453 2HH2 ARG 70 2HH2 ARG 70 0.545 -3.467 2.858 454 H ARG 71 H ARG 71 -7.319 -7.239 -0.761 455 HA ARG 71 HA ARG 71 -7.354 -5.064 -2.684 456 1HB ARG 71 1HB ARG 71 -7.384 -7.272 -3.716 457 2HB ARG 71 2HB ARG 71 -8.729 -7.795 -2.688 458 1HG ARG 71 1HG ARG 71 -9.954 -5.707 -3.766 459 2HG ARG 71 2HG ARG 71 -8.732 -5.893 -5.039 460 1HD ARG 71 1HD ARG 71 -10.045 -7.494 -5.943 461 2HD ARG 71 2HD ARG 71 -9.699 -8.511 -4.536 462 HE ARG 71 HE ARG 71 -11.727 -6.814 -3.676 463 1HH1 ARG 71 1HH1 ARG 71 -11.356 -9.056 -6.363 464 2HH1 ARG 71 2HH1 ARG 71 -13.046 -9.422 -6.457 465 1HH2 ARG 71 1HH2 ARG 71 -13.957 -7.298 -3.799 466 2HH2 ARG 71 2HH2 ARG 71 -14.536 -8.416 -4.989 467 H SER 72 H SER 72 -9.954 -7.207 -1.326 468 HA SER 72 HA SER 72 -11.689 -4.973 -1.140 469 1HB SER 72 1HB SER 72 -12.340 -7.365 -1.727 470 2HB SER 72 2HB SER 72 -12.136 -7.766 -0.013 471 HG SER 72 HG SER 72 -13.894 -5.693 -1.012 472 H PHE 73 H PHE 73 -10.832 -3.512 0.414 473 HA PHE 73 HA PHE 73 -11.050 -4.484 3.158 474 1HB PHE 73 1HB PHE 73 -8.886 -3.605 3.689 475 2HB PHE 73 2HB PHE 73 -8.618 -4.341 2.105 476 HD1 PHE 73 1HD PHE 73 -8.242 -2.952 0.153 477 HD2 PHE 73 2HD PHE 73 -8.924 -1.200 3.957 478 HE1 PHE 73 1HE PHE 73 -7.409 -0.748 -0.714 479 HE2 PHE 73 2HE PHE 73 -8.091 1.005 3.091 480 HZ PHE 73 HZ PHE 73 -7.343 1.204 0.766 481 H GLU 74 H GLU 74 -11.096 -2.574 4.750 482 HA GLU 74 HA GLU 74 -12.927 -0.675 3.665 483 1HB GLU 74 1HB GLU 74 -12.906 0.148 6.109 484 2HB GLU 74 2HB GLU 74 -13.522 -1.486 5.814 485 1HG GLU 74 1HG GLU 74 -10.618 -1.451 6.231 486 2HG GLU 74 2HG GLU 74 -11.483 -0.754 7.609 487 HE2 GLU 74 HE2 GLU 74 -12.942 -3.821 8.409 488 H GLY 75 H GLY 75 -12.338 1.256 2.782 489 1HA GLY 75 1HA GLY 75 -9.630 2.249 3.314 490 2HA GLY 75 2HA GLY 75 -10.685 2.703 1.991 491 H PHE 76 H PHE 76 -9.221 4.308 4.167 492 HA PHE 76 HA PHE 76 -11.596 5.670 5.230 493 1HB PHE 76 1HB PHE 76 -8.723 5.244 6.202 494 2HB PHE 76 2HB PHE 76 -9.737 6.505 6.910 495 HD1 PHE 76 1HD PHE 76 -9.678 2.841 6.236 496 HD2 PHE 76 2HD PHE 76 -11.102 5.978 8.713 497 HE1 PHE 76 1HE PHE 76 -10.641 1.151 7.822 498 HE2 PHE 76 2HE PHE 76 -12.065 4.288 10.299 499 HZ PHE 76 HZ PHE 76 -11.823 1.894 9.835 500 H LEU 77 H LEU 77 -11.964 7.704 4.478 501 HA LEU 77 HA LEU 77 -10.677 8.869 2.442 502 1HB LEU 77 1HB LEU 77 -12.099 10.090 4.788 503 2HB LEU 77 2HB LEU 77 -11.535 11.057 3.413 504 HG LEU 77 HG LEU 77 -13.740 9.030 3.572 505 1HD1 LEU 77 1HD1 LEU 77 -15.020 10.823 3.322 506 2HD1 LEU 77 2HD1 LEU 77 -13.562 11.843 3.355 507 3HD1 LEU 77 3HD1 LEU 77 -14.195 11.245 1.803 508 1HD2 LEU 77 1HD2 LEU 77 -12.036 9.597 1.164 509 2HD2 LEU 77 2HD2 LEU 77 -12.691 8.052 1.758 510 3HD2 LEU 77 3HD2 LEU 77 -13.769 9.233 0.978 511 H PHE 78 H PHE 78 -10.136 10.101 5.815 512 HA PHE 78 HA PHE 78 -7.569 9.768 6.209 513 1HB PHE 78 1HB PHE 78 -6.686 10.577 4.188 514 2HB PHE 78 2HB PHE 78 -8.075 11.625 3.888 515 HD1 PHE 78 1HD PHE 78 -8.227 13.789 5.221 516 HD2 PHE 78 2HD PHE 78 -4.697 11.443 5.046 517 HE1 PHE 78 1HE PHE 78 -6.874 15.770 5.959 518 HE2 PHE 78 2HE PHE 78 -3.344 13.424 5.784 519 HZ PHE 78 HZ PHE 78 -4.449 15.564 6.232 520 H ASP 79 H ASP 79 -10.290 11.983 6.090 521 HA ASP 79 HA ASP 79 -9.123 13.665 8.110 522 1HB ASP 79 1HB ASP 79 -10.421 14.790 6.423 523 2HB ASP 79 2HB ASP 79 -11.776 13.669 6.613 524 HD2 ASP 79 HD2 ASP 79 -13.155 15.559 9.122 525 H GLY 80 H GLY 80 -12.418 12.152 7.701 526 1HA GLY 80 1HA GLY 80 -12.197 10.717 10.202 527 2HA GLY 80 2HA GLY 80 -13.279 12.095 10.253 528 H THR 81 H THR 81 -12.792 10.387 7.187 529 HA THR 81 HA THR 81 -15.362 9.009 7.575 530 HB THR 81 HB THR 81 -14.436 10.745 5.228 531 HG1 THR 81 1HG THR 81 -15.418 11.774 7.138 532 1HG2 THR 81 1HG2 THR 81 -16.944 9.019 5.585 533 2HG2 THR 81 2HG2 THR 81 -16.730 10.245 4.311 534 3HG2 THR 81 3HG2 THR 81 -15.693 8.798 4.338 535 H ARG 82 H ARG 82 -15.712 7.250 5.914 536 HA ARG 82 HA ARG 82 -13.376 6.271 4.662 537 1HB ARG 82 1HB ARG 82 -13.484 4.034 5.942 538 2HB ARG 82 2HB ARG 82 -12.769 5.399 6.819 539 1HG ARG 82 1HG ARG 82 -14.253 4.955 8.463 540 2HG ARG 82 2HG ARG 82 -15.514 5.583 7.388 541 1HD ARG 82 1HD ARG 82 -16.302 3.483 6.888 542 2HD ARG 82 2HD ARG 82 -14.692 2.747 6.915 543 HE ARG 82 HE ARG 82 -15.354 3.519 9.573 544 1HH1 ARG 82 1HH1 ARG 82 -16.433 1.224 7.134 545 2HH1 ARG 82 2HH1 ARG 82 -17.013 0.072 8.290 546 1HH2 ARG 82 1HH2 ARG 82 -16.119 1.999 11.100 547 2HH2 ARG 82 2HH2 ARG 82 -16.833 0.516 10.560 548 H TRP 83 H TRP 83 -13.921 4.688 3.060 549 HA TRP 83 HA TRP 83 -16.689 4.591 2.396 550 1HB TRP 83 1HB TRP 83 -14.361 3.115 1.170 551 2HB TRP 83 2HB TRP 83 -15.959 3.341 0.456 552 HD1 TRP 83 HD TRP 83 -12.587 4.897 0.469 553 HE1 TRP 83 1HE TRP 83 -12.529 7.277 -0.670 554 HE3 TRP 83 3HE TRP 83 -17.629 5.549 0.364 555 HZ2 TRP 83 2HZ TRP 83 -14.553 9.124 -1.469 556 HZ3 TRP 83 3HZ TRP 83 -18.505 7.669 -0.613 557 HH2 TRP 83 HH TRP 83 -17.056 9.421 -1.509 558 H GLY 84 H GLY 84 -14.173 2.241 3.539 559 1HA GLY 84 1HA GLY 84 -14.442 0.427 4.881 560 2HA GLY 84 2HA GLY 84 -16.168 0.724 4.955 561 H THR 85 H THR 85 -14.977 -1.883 4.609 562 HA THR 85 HA THR 85 -14.593 -3.453 2.895 563 HB THR 85 HB THR 85 -17.400 -2.945 3.832 564 HG1 THR 85 1HG THR 85 -16.846 -4.972 4.772 565 1HG2 THR 85 1HG2 THR 85 -17.837 -5.290 2.605 566 2HG2 THR 85 2HG2 THR 85 -18.183 -3.759 1.765 567 3HG2 THR 85 3HG2 THR 85 -16.672 -4.636 1.428 568 H VAL 86 H VAL 86 -13.591 -1.926 1.292 569 HA VAL 86 HA VAL 86 -15.427 -1.644 -0.987 570 HB VAL 86 HB VAL 86 -14.713 0.493 0.102 571 1HG1 VAL 86 1HG1 VAL 86 -12.006 -0.587 -0.637 572 2HG1 VAL 86 2HG1 VAL 86 -12.291 1.170 -0.650 573 3HG1 VAL 86 3HG1 VAL 86 -12.535 0.241 0.848 574 1HG2 VAL 86 1HG2 VAL 86 -15.460 0.497 -2.199 575 2HG2 VAL 86 2HG2 VAL 86 -14.074 1.602 -2.039 576 3HG2 VAL 86 3HG2 VAL 86 -13.849 -0.006 -2.767 577 H ASP 87 H ASP 87 -14.649 -2.304 -3.027 578 HA ASP 87 HA ASP 87 -12.564 -4.234 -2.829 579 1HB ASP 87 1HB ASP 87 -13.594 -3.480 -5.513 580 2HB ASP 87 2HB ASP 87 -13.444 -5.084 -4.781 581 HD2 ASP 87 HD2 ASP 87 -16.784 -5.156 -4.114 582 H CYS 88 H CYS 88 -10.409 -3.652 -3.126 583 HA CYS 88 HA CYS 88 -9.684 -1.105 -4.019 584 1HB CYS 88 1HB CYS 88 -8.011 -1.823 -2.768 585 2HB CYS 88 2HB CYS 88 -8.341 -3.534 -3.092 586 H THR 89 H THR 89 -9.951 -4.347 -5.556 587 HA THR 89 HA THR 89 -8.672 -3.738 -7.962 588 HB THR 89 HB THR 89 -9.278 -6.026 -7.089 589 HG1 THR 89 1HG THR 89 -10.580 -5.232 -9.597 590 1HG2 THR 89 1HG2 THR 89 -12.017 -4.875 -7.388 591 2HG2 THR 89 2HG2 THR 89 -11.804 -6.484 -8.120 592 3HG2 THR 89 3HG2 THR 89 -11.470 -6.243 -6.388 593 H THR 90 H THR 90 -11.737 -2.675 -6.670 594 HA THR 90 HA THR 90 -12.804 -2.041 -9.284 595 HB THR 90 HB THR 90 -13.699 -1.696 -6.386 596 HG1 THR 90 1HG THR 90 -13.827 -3.781 -7.587 597 1HG2 THR 90 1HG2 THR 90 -15.832 -0.840 -7.226 598 2HG2 THR 90 2HG2 THR 90 -14.550 0.234 -7.836 599 3HG2 THR 90 3HG2 THR 90 -15.276 -0.984 -8.911 600 H ALA 91 H ALA 91 -10.736 -0.570 -6.884 601 HA ALA 91 HA ALA 91 -10.922 1.930 -8.419 602 1HB ALA 91 1HB ALA 91 -11.669 1.552 -5.744 603 2HB ALA 91 2HB ALA 91 -10.042 2.267 -5.653 604 3HB ALA 91 3HB ALA 91 -11.334 3.107 -6.543 605 H ALA 92 H ALA 92 -9.207 -0.578 -8.615 606 HA ALA 92 HA ALA 92 -7.027 -1.191 -8.452 607 1HB ALA 92 1HB ALA 92 -7.656 0.441 -10.529 608 2HB ALA 92 2HB ALA 92 -6.313 1.363 -9.811 609 3HB ALA 92 3HB ALA 92 -6.060 -0.321 -10.331 610 H CYS 93 H CYS 93 -7.332 -0.567 -5.955 611 HA CYS 93 HA CYS 93 -6.283 1.723 -4.917 612 1HB CYS 93 1HB CYS 93 -6.219 0.668 -2.895 613 2HB CYS 93 2HB CYS 93 -7.419 -0.294 -3.777 614 H GLN 94 H GLN 94 -4.053 1.366 -3.395 615 HA GLN 94 HA GLN 94 -2.023 0.305 -5.176 616 1HB GLN 94 1HB GLN 94 -0.651 2.284 -4.998 617 2HB GLN 94 2HB GLN 94 -2.250 2.783 -5.577 618 1HG GLN 94 1HG GLN 94 -1.659 2.784 -2.615 619 2HG GLN 94 2HG GLN 94 -1.048 4.112 -3.614 620 1HE2 GLN 94 1HE2 GLN 94 -2.291 5.795 -3.312 621 2HE2 GLN 94 2HE2 GLN 94 -4.023 5.837 -3.330 622 H VAL 95 H VAL 95 0.058 -0.148 -4.055 623 HA VAL 95 HA VAL 95 -0.172 -0.146 -1.140 624 HB VAL 95 HB VAL 95 -0.968 -2.304 -1.774 625 1HG1 VAL 95 1HG1 VAL 95 -0.411 -2.937 -3.874 626 2HG1 VAL 95 2HG1 VAL 95 1.176 -2.133 -3.811 627 3HG1 VAL 95 3HG1 VAL 95 0.958 -3.733 -3.062 628 1HG2 VAL 95 1HG2 VAL 95 1.860 -3.016 -1.130 629 2HG2 VAL 95 2HG2 VAL 95 1.001 -1.936 -0.006 630 3HG2 VAL 95 3HG2 VAL 95 0.340 -3.549 -0.371 631 H GLY 96 H GLY 96 1.560 0.938 -0.375 632 1HA GLY 96 1HA GLY 96 4.143 0.519 -1.741 633 2HA GLY 96 2HA GLY 96 3.565 2.136 -1.389 634 H LEU 97 H LEU 97 5.517 2.403 -0.042 635 HA LEU 97 HA LEU 97 5.525 0.816 2.399 636 1HB LEU 97 1HB LEU 97 7.545 1.355 0.884 637 2HB LEU 97 2HB LEU 97 7.525 2.934 1.690 638 HG LEU 97 HG LEU 97 7.398 1.033 3.753 639 1HD1 LEU 97 1HD1 LEU 97 9.792 -0.018 2.911 640 2HD1 LEU 97 2HD1 LEU 97 8.223 -0.859 2.895 641 3HD1 LEU 97 3HD1 LEU 97 8.813 -0.049 1.424 642 1HD2 LEU 97 1HD2 LEU 97 10.079 2.068 3.164 643 2HD2 LEU 97 2HD2 LEU 97 8.805 3.311 3.133 644 3HD2 LEU 97 3HD2 LEU 97 9.036 2.308 4.585 645 H SER 98 H SER 98 5.937 2.073 4.500 646 HA SER 98 HA SER 98 4.867 4.724 4.479 647 1HB SER 98 1HB SER 98 3.105 2.556 4.881 648 2HB SER 98 2HB SER 98 3.402 3.211 6.501 649 HG SER 98 HG SER 98 1.583 4.165 5.165 650 H ASP 99 H ASP 99 6.245 5.816 5.827 651 HA ASP 99 HA ASP 99 8.179 4.751 7.299 652 1HB ASP 99 1HB ASP 99 6.756 7.087 8.535 653 2HB ASP 99 2HB ASP 99 8.483 6.881 8.203 654 HD2 ASP 99 HD2 ASP 99 8.158 8.865 5.457 655 H ALA 100 H ALA 100 8.347 4.961 9.892 656 HA ALA 100 HA ALA 100 6.584 3.093 10.989 657 1HB ALA 100 1HB ALA 100 7.950 4.866 12.901 658 2HB ALA 100 2HB ALA 100 8.108 3.109 12.658 659 3HB ALA 100 3HB ALA 100 9.028 4.236 11.633 660 H ALA 101 H ALA 101 6.124 6.387 10.216 661 HA ALA 101 HA ALA 101 4.017 6.611 12.254 662 1HB ALA 101 1HB ALA 101 6.021 8.489 11.138 663 2HB ALA 101 2HB ALA 101 4.371 9.144 11.265 664 3HB ALA 101 3HB ALA 101 5.188 8.504 12.711 665 H GLY 102 H GLY 102 4.729 6.021 8.958 666 1HA GLY 102 1HA GLY 102 3.363 5.715 7.190 667 2HA GLY 102 2HA GLY 102 1.983 5.977 8.237 668 H ASN 103 H ASN 103 4.783 8.115 7.337 669 HA ASN 103 HA ASN 103 3.367 10.421 7.313 670 1HB ASN 103 1HB ASN 103 5.969 9.578 6.625 671 2HB ASN 103 2HB ASN 103 5.376 10.369 5.156 672 1HD2 ASN 103 1HD2 ASN 103 6.422 12.240 5.173 673 2HD2 ASN 103 2HD2 ASN 103 6.364 13.435 6.426 674 H GLY 104 H GLY 104 3.655 11.673 4.776 675 1HA GLY 104 1HA GLY 104 1.402 11.340 3.425 676 2HA GLY 104 2HA GLY 104 2.911 11.722 2.619 677 HA PRO 105 HA PRO 105 1.378 7.384 1.626 678 1HB PRO 105 1HB PRO 105 -0.638 7.721 -0.185 679 2HB PRO 105 2HB PRO 105 -0.923 7.374 1.519 680 1HG PRO 105 1HG PRO 105 -1.163 9.911 0.036 681 2HG PRO 105 2HG PRO 105 -1.900 9.461 1.615 682 1HD PRO 105 1HD PRO 105 0.339 11.176 1.119 683 2HD PRO 105 2HD PRO 105 -0.247 10.637 2.698 684 H GLU 106 H GLU 106 1.156 6.303 -0.717 685 HA GLU 106 HA GLU 106 1.901 7.501 -2.933 686 1HB GLU 106 1HB GLU 106 4.110 7.698 -1.032 687 2HB GLU 106 2HB GLU 106 4.609 6.860 -2.512 688 1HG GLU 106 1HG GLU 106 3.045 9.461 -2.586 689 2HG GLU 106 2HG GLU 106 4.810 9.456 -2.447 690 HE2 GLU 106 HE2 GLU 106 3.118 8.464 -5.898 691 H GLY 107 H GLY 107 0.523 5.239 -2.317 692 1HA GLY 107 1HA GLY 107 2.123 2.866 -2.479 693 2HA GLY 107 2HA GLY 107 0.378 2.994 -2.579 694 H VAL 108 H VAL 108 1.678 1.216 -4.269 695 HA VAL 108 HA VAL 108 1.846 2.621 -6.832 696 HB VAL 108 HB VAL 108 3.779 1.345 -6.381 697 1HG1 VAL 108 1HG1 VAL 108 3.623 -0.251 -4.812 698 2HG1 VAL 108 2HG1 VAL 108 1.889 -0.505 -5.121 699 3HG1 VAL 108 3HG1 VAL 108 3.103 -1.331 -6.129 700 1HG2 VAL 108 1HG2 VAL 108 3.906 -0.002 -8.279 701 2HG2 VAL 108 2HG2 VAL 108 2.229 -0.572 -8.114 702 3HG2 VAL 108 3HG2 VAL 108 2.554 1.091 -8.661 703 H ALA 109 H ALA 109 0.094 2.606 -8.137 704 HA ALA 109 HA ALA 109 -2.231 1.207 -7.449 705 1HB ALA 109 1HB ALA 109 -1.239 2.886 -9.718 706 2HB ALA 109 2HB ALA 109 -2.667 1.867 -10.021 707 3HB ALA 109 3HB ALA 109 -2.693 3.071 -8.710 708 H ILE 110 H ILE 110 -2.339 -0.991 -7.405 709 HA ILE 110 HA ILE 110 -1.265 -2.378 -9.762 710 HB ILE 110 HB ILE 110 -1.217 -3.208 -6.863 711 1HG1 ILE 110 1HG1 ILE 110 0.983 -2.757 -8.889 712 2HG1 ILE 110 2HG1 ILE 110 0.582 -1.692 -7.531 713 1HG2 ILE 110 1HG2 ILE 110 -1.276 -4.841 -9.299 714 2HG2 ILE 110 2HG2 ILE 110 0.123 -5.168 -8.247 715 3HG2 ILE 110 3HG2 ILE 110 -1.530 -5.296 -7.596 716 1HD1 ILE 110 1HD1 ILE 110 0.944 -4.437 -6.614 717 2HD1 ILE 110 2HD1 ILE 110 2.368 -3.889 -7.530 718 3HD1 ILE 110 3HD1 ILE 110 1.809 -2.964 -6.116 719 H SER 111 H SER 111 -2.495 -4.220 -10.508 720 HA SER 111 HA SER 111 -5.286 -3.814 -9.988 721 1HB SER 111 1HB SER 111 -3.627 -4.951 -12.119 722 2HB SER 111 2HB SER 111 -5.037 -5.967 -11.768 723 HG SER 111 HG SER 111 -6.332 -3.951 -11.979 724 H PHE 112 H PHE 112 -6.345 -4.949 -8.407 725 HA PHE 112 HA PHE 112 -5.091 -7.394 -7.443 726 1HB PHE 112 1HB PHE 112 -7.405 -5.608 -6.493 727 2HB PHE 112 2HB PHE 112 -6.819 -7.006 -5.586 728 HD1 PHE 112 1HD PHE 112 -5.559 -6.432 -3.757 729 HD2 PHE 112 2HD PHE 112 -5.265 -4.030 -7.245 730 HE1 PHE 112 1HE PHE 112 -3.883 -4.961 -2.604 731 HE2 PHE 112 2HE PHE 112 -3.590 -2.560 -6.090 732 HZ PHE 112 HZ PHE 112 -2.919 -3.042 -3.784 733 H ASN 113 H ASN 113 -5.890 -9.393 -7.909 734 HA ASN 113 HA ASN 113 -7.131 -10.934 -8.806 735 1HB ASN 113 1HB ASN 113 -8.569 -10.025 -6.764 736 2HB ASN 113 2HB ASN 113 -9.667 -9.456 -8.029 737 1HD2 ASN 113 1HD2 ASN 113 -11.219 -10.896 -7.150 738 2HD2 ASN 113 2HD2 ASN 113 -11.207 -12.585 -7.532 Start of MODEL 5 1 H ALA 1 H ALA 1 17.038 9.946 -8.205 2 HA ALA 1 HA ALA 1 17.624 8.553 -5.745 3 1HB ALA 1 1HB ALA 1 18.035 10.753 -4.933 4 2HB ALA 1 2HB ALA 1 16.669 11.432 -5.849 5 3HB ALA 1 3HB ALA 1 16.365 10.379 -4.446 6 H ALA 2 H ALA 2 15.955 7.179 -5.269 7 HA ALA 2 HA ALA 2 13.295 7.843 -6.206 8 1HB ALA 2 1HB ALA 2 13.271 5.373 -7.161 9 2HB ALA 2 2HB ALA 2 13.865 6.722 -8.160 10 3HB ALA 2 3HB ALA 2 15.021 5.650 -7.333 11 HA PRO 3 HA PRO 3 13.696 5.637 -2.220 12 1HB PRO 3 1HB PRO 3 12.876 7.636 -0.547 13 2HB PRO 3 2HB PRO 3 14.572 7.274 -0.858 14 1HG PRO 3 1HG PRO 3 12.881 9.460 -1.889 15 2HG PRO 3 2HG PRO 3 14.677 9.370 -1.816 16 1HD PRO 3 1HD PRO 3 12.971 9.054 -4.094 17 2HD PRO 3 2HD PRO 3 14.720 8.799 -4.042 18 H THR 4 H THR 4 12.116 4.168 -2.622 19 HA THR 4 HA THR 4 9.654 4.611 -1.427 20 HB THR 4 HB THR 4 8.538 4.556 -3.966 21 HG1 THR 4 1HG THR 4 10.503 5.066 -5.025 22 1HG2 THR 4 1HG2 THR 4 7.519 6.426 -3.140 23 2HG2 THR 4 2HG2 THR 4 8.670 6.411 -1.783 24 3HG2 THR 4 3HG2 THR 4 9.047 7.332 -3.259 25 H ALA 5 H ALA 5 8.299 2.754 -1.482 26 HA ALA 5 HA ALA 5 9.730 0.432 -2.565 27 1HB ALA 5 1HB ALA 5 7.562 0.422 -0.445 28 2HB ALA 5 2HB ALA 5 8.788 -0.823 -0.786 29 3HB ALA 5 3HB ALA 5 9.270 0.722 -0.045 30 H THR 6 H THR 6 8.476 -1.261 -3.615 31 HA THR 6 HA THR 6 5.741 -0.616 -4.324 32 HB THR 6 HB THR 6 6.137 -0.307 -6.643 33 HG1 THR 6 1HG THR 6 8.762 -1.436 -5.964 34 1HG2 THR 6 1HG2 THR 6 8.709 0.736 -5.342 35 2HG2 THR 6 2HG2 THR 6 8.077 1.232 -6.931 36 3HG2 THR 6 3HG2 THR 6 7.179 1.639 -5.449 37 H VAL 7 H VAL 7 4.669 -2.415 -5.483 38 HA VAL 7 HA VAL 7 5.629 -4.894 -4.364 39 HB VAL 7 HB VAL 7 3.122 -3.834 -5.559 40 1HG1 VAL 7 1HG1 VAL 7 2.173 -5.909 -6.109 41 2HG1 VAL 7 2HG1 VAL 7 3.799 -5.976 -6.831 42 3HG1 VAL 7 3HG1 VAL 7 3.469 -6.823 -5.301 43 1HG2 VAL 7 1HG2 VAL 7 2.118 -4.715 -3.590 44 2HG2 VAL 7 2HG2 VAL 7 3.529 -5.744 -3.243 45 3HG2 VAL 7 3HG2 VAL 7 3.654 -3.976 -3.080 46 H THR 8 H THR 8 7.065 -6.154 -5.417 47 HA THR 8 HA THR 8 8.143 -5.783 -7.835 48 HB THR 8 HB THR 8 7.690 -8.086 -5.999 49 HG1 THR 8 1HG THR 8 9.984 -7.969 -6.226 50 1HG2 THR 8 1HG2 THR 8 8.742 -8.549 -8.836 51 2HG2 THR 8 2HG2 THR 8 8.599 -9.755 -7.536 52 3HG2 THR 8 3HG2 THR 8 7.134 -9.087 -8.293 53 HA PRO 9 HA PRO 9 4.816 -8.155 -10.119 54 1HB PRO 9 1HB PRO 9 2.681 -9.238 -8.802 55 2HB PRO 9 2HB PRO 9 4.138 -10.150 -9.189 56 1HG PRO 9 1HG PRO 9 3.247 -8.998 -6.624 57 2HG PRO 9 2HG PRO 9 4.451 -10.306 -6.910 58 1HD PRO 9 1HD PRO 9 4.928 -7.574 -6.199 59 2HD PRO 9 2HD PRO 9 6.147 -8.780 -6.625 60 H SER 10 H SER 10 2.167 -7.637 -7.958 61 HA SER 10 HA SER 10 0.662 -6.067 -7.836 62 1HB SER 10 1HB SER 10 1.131 -3.809 -8.274 63 2HB SER 10 2HB SER 10 2.733 -4.493 -7.947 64 HG SER 10 HG SER 10 2.743 -4.800 -10.429 65 H SER 11 H SER 11 0.494 -8.120 -9.784 66 HA SER 11 HA SER 11 -1.270 -6.826 -11.626 67 1HB SER 11 1HB SER 11 -0.245 -7.978 -13.612 68 2HB SER 11 2HB SER 11 0.768 -6.693 -12.933 69 HG SER 11 HG SER 11 1.319 -9.361 -13.265 70 H GLY 12 H GLY 12 -3.023 -8.176 -12.086 71 1HA GLY 12 1HA GLY 12 -4.417 -9.912 -11.679 72 2HA GLY 12 2HA GLY 12 -3.143 -10.844 -12.439 73 H LEU 13 H LEU 13 -3.147 -9.115 -9.252 74 HA LEU 13 HA LEU 13 -2.075 -11.470 -8.007 75 1HB LEU 13 1HB LEU 13 -2.847 -8.778 -6.895 76 2HB LEU 13 2HB LEU 13 -1.985 -10.048 -6.009 77 HG LEU 13 HG LEU 13 -1.028 -8.268 -8.233 78 1HD1 LEU 13 1HD1 LEU 13 0.976 -8.659 -6.340 79 2HD1 LEU 13 2HD1 LEU 13 -0.110 -7.255 -6.479 80 3HD1 LEU 13 3HD1 LEU 13 -0.528 -8.599 -5.389 81 1HD2 LEU 13 1HD2 LEU 13 0.866 -9.633 -8.684 82 2HD2 LEU 13 2HD2 LEU 13 0.427 -10.786 -7.399 83 3HD2 LEU 13 3HD2 LEU 13 -0.576 -10.661 -8.865 84 H SER 14 H SER 14 -3.475 -10.878 -5.407 85 HA SER 14 HA SER 14 -6.193 -11.570 -6.043 86 1HB SER 14 1HB SER 14 -4.380 -13.619 -5.620 87 2HB SER 14 2HB SER 14 -5.072 -13.395 -4.004 88 HG SER 14 HG SER 14 -6.837 -14.379 -4.686 89 H ASP 15 H ASP 15 -7.424 -11.905 -3.774 90 HA ASP 15 HA ASP 15 -7.022 -9.533 -2.380 91 1HB ASP 15 1HB ASP 15 -9.197 -10.735 -2.592 92 2HB ASP 15 2HB ASP 15 -8.576 -12.035 -1.563 93 HD2 ASP 15 HD2 ASP 15 -8.602 -9.130 0.898 94 H GLY 16 H GLY 16 -5.229 -9.231 -1.037 95 1HA GLY 16 1HA GLY 16 -3.978 -9.539 0.841 96 2HA GLY 16 2HA GLY 16 -4.791 -11.059 1.151 97 H THR 17 H THR 17 -3.349 -10.308 -2.026 98 HA THR 17 HA THR 17 -1.742 -12.663 -1.892 99 HB THR 17 HB THR 17 -1.960 -10.360 -3.901 100 HG1 THR 17 1HG THR 17 -3.729 -12.090 -3.171 101 1HG2 THR 17 1HG2 THR 17 -0.334 -11.405 -5.117 102 2HG2 THR 17 2HG2 THR 17 -0.077 -12.551 -3.780 103 3HG2 THR 17 3HG2 THR 17 -1.268 -12.918 -5.050 104 H VAL 18 H VAL 18 -0.418 -12.359 -0.026 105 HA VAL 18 HA VAL 18 1.263 -10.119 0.231 106 HB VAL 18 HB VAL 18 1.838 -12.849 1.349 107 1HG1 VAL 18 1HG1 VAL 18 2.090 -10.064 2.535 108 2HG1 VAL 18 2HG1 VAL 18 2.626 -11.589 3.279 109 3HG1 VAL 18 3HG1 VAL 18 3.417 -10.995 1.799 110 1HG2 VAL 18 1HG2 VAL 18 -0.396 -12.853 1.898 111 2HG2 VAL 18 2HG2 VAL 18 0.261 -11.933 3.274 112 3HG2 VAL 18 3HG2 VAL 18 -0.511 -11.077 1.917 113 H VAL 19 H VAL 19 2.056 -9.890 -2.005 114 HA VAL 19 HA VAL 19 3.844 -11.962 -2.932 115 HB VAL 19 HB VAL 19 4.047 -10.569 -4.901 116 1HG1 VAL 19 1HG1 VAL 19 1.298 -11.119 -3.808 117 2HG1 VAL 19 2HG1 VAL 19 1.486 -10.330 -5.392 118 3HG1 VAL 19 3HG1 VAL 19 2.188 -11.942 -5.112 119 1HG2 VAL 19 1HG2 VAL 19 2.770 -8.507 -3.142 120 2HG2 VAL 19 2HG2 VAL 19 4.104 -8.347 -4.310 121 3HG2 VAL 19 3HG2 VAL 19 2.425 -8.475 -4.888 122 H LYS 20 H LYS 20 5.928 -10.580 -4.095 123 HA LYS 20 HA LYS 20 7.395 -9.790 -1.720 124 1HB LYS 20 1HB LYS 20 8.021 -10.901 -4.378 125 2HB LYS 20 2HB LYS 20 9.202 -9.734 -3.757 126 1HG LYS 20 1HG LYS 20 9.480 -11.029 -1.718 127 2HG LYS 20 2HG LYS 20 8.155 -12.117 -2.162 128 1HD LYS 20 1HD LYS 20 9.450 -12.906 -4.109 129 2HD LYS 20 2HD LYS 20 10.767 -11.786 -3.714 130 1HE LYS 20 1HE LYS 20 10.551 -13.071 -1.337 131 2HE LYS 20 2HE LYS 20 9.967 -14.362 -2.396 132 1HZ LYS 20 1HZ LYS 20 12.312 -14.497 -2.171 133 2HZ LYS 20 2HZ LYS 20 11.992 -14.032 -3.703 134 3HZ LYS 20 3HZ LYS 20 12.527 -12.940 -2.613 135 H VAL 21 H VAL 21 8.426 -7.771 -1.447 136 HA VAL 21 HA VAL 21 7.841 -5.752 -3.467 137 HB VAL 21 HB VAL 21 7.129 -5.496 -0.538 138 1HG1 VAL 21 1HG1 VAL 21 6.220 -3.466 -2.497 139 2HG1 VAL 21 2HG1 VAL 21 6.792 -3.275 -0.823 140 3HG1 VAL 21 3HG1 VAL 21 7.965 -3.474 -2.147 141 1HG2 VAL 21 1HG2 VAL 21 5.287 -6.621 -1.226 142 2HG2 VAL 21 2HG2 VAL 21 4.817 -5.035 -1.886 143 3HG2 VAL 21 3HG2 VAL 21 5.571 -6.253 -2.945 144 H ALA 22 H ALA 22 9.377 -4.054 -3.519 145 HA ALA 22 HA ALA 22 11.484 -4.142 -1.514 146 1HB ALA 22 1HB ALA 22 13.220 -4.582 -3.018 147 2HB ALA 22 2HB ALA 22 11.943 -5.683 -3.591 148 3HB ALA 22 3HB ALA 22 12.239 -4.146 -4.437 149 H GLY 23 H GLY 23 12.867 -2.174 -1.617 150 1HA GLY 23 1HA GLY 23 13.260 -0.023 -2.564 151 2HA GLY 23 2HA GLY 23 11.593 0.037 -3.102 152 H ALA 24 H ALA 24 12.366 2.223 -1.742 153 HA ALA 24 HA ALA 24 10.627 2.771 0.121 154 1HB ALA 24 1HB ALA 24 12.730 0.990 1.352 155 2HB ALA 24 2HB ALA 24 11.956 2.260 2.330 156 3HB ALA 24 3HB ALA 24 10.966 0.982 1.586 157 H GLY 25 H GLY 25 12.147 4.007 2.244 158 1HA GLY 25 1HA GLY 25 13.029 6.326 0.950 159 2HA GLY 25 2HA GLY 25 13.298 5.898 2.628 160 H LEU 26 H LEU 26 14.510 3.278 0.991 161 HA LEU 26 HA LEU 26 16.583 2.537 0.727 162 1HB LEU 26 1HB LEU 26 16.326 3.473 -1.407 163 2HB LEU 26 2HB LEU 26 16.656 5.115 -0.827 164 HG LEU 26 HG LEU 26 18.955 3.649 -0.197 165 1HD1 LEU 26 1HD1 LEU 26 19.198 1.963 -1.612 166 2HD1 LEU 26 2HD1 LEU 26 17.594 2.299 -2.309 167 3HD1 LEU 26 3HD1 LEU 26 19.042 3.084 -2.986 168 1HD2 LEU 26 1HD2 LEU 26 19.641 4.972 -2.481 169 2HD2 LEU 26 2HD2 LEU 26 18.156 5.831 -2.007 170 3HD2 LEU 26 3HD2 LEU 26 19.519 5.714 -0.869 171 H GLN 27 H GLN 27 16.427 3.186 3.257 172 HA GLN 27 HA GLN 27 18.404 5.188 3.857 173 1HB GLN 27 1HB GLN 27 16.384 3.604 5.420 174 2HB GLN 27 2HB GLN 27 17.767 4.289 6.291 175 1HG GLN 27 1HG GLN 27 16.162 6.007 4.393 176 2HG GLN 27 2HG GLN 27 15.546 5.698 6.024 177 1HE2 GLN 27 1HE2 GLN 27 16.914 7.972 4.346 178 2HE2 GLN 27 2HE2 GLN 27 18.027 8.690 5.463 179 H ALA 28 H ALA 28 18.117 2.357 5.947 180 HA ALA 28 HA ALA 28 20.098 0.748 4.863 181 1HB ALA 28 1HB ALA 28 21.888 1.422 6.667 182 2HB ALA 28 2HB ALA 28 21.788 2.336 5.142 183 3HB ALA 28 3HB ALA 28 21.061 2.998 6.626 184 H GLY 29 H GLY 29 18.553 -0.795 5.586 185 1HA GLY 29 1HA GLY 29 17.747 -2.309 7.040 186 2HA GLY 29 2HA GLY 29 18.990 -1.816 8.172 187 H THR 30 H THR 30 17.035 0.826 7.054 188 HA THR 30 HA THR 30 15.946 1.189 9.674 189 HB THR 30 HB THR 30 15.736 2.650 6.997 190 HG1 THR 30 1HG THR 30 17.723 2.532 8.472 191 1HG2 THR 30 1HG2 THR 30 14.492 3.244 9.715 192 2HG2 THR 30 2HG2 THR 30 14.965 4.563 8.616 193 3HG2 THR 30 3HG2 THR 30 13.740 3.376 8.106 194 H ALA 31 H ALA 31 13.632 1.535 10.132 195 HA ALA 31 HA ALA 31 12.151 -0.683 9.071 196 1HB ALA 31 1HB ALA 31 11.057 1.438 10.921 197 2HB ALA 31 2HB ALA 31 10.707 -0.306 10.874 198 3HB ALA 31 3HB ALA 31 12.266 0.271 11.509 199 H TYR 32 H TYR 32 10.204 -0.582 7.858 200 HA TYR 32 HA TYR 32 9.396 2.046 6.899 201 1HB TYR 32 1HB TYR 32 10.484 -0.355 5.335 202 2HB TYR 32 2HB TYR 32 9.424 0.816 4.541 203 HD1 TYR 32 1HD TYR 32 10.595 3.256 6.103 204 HD2 TYR 32 2HD TYR 32 12.383 0.046 3.911 205 HE1 TYR 32 1HE TYR 32 12.616 4.714 5.602 206 HE2 TYR 32 2HE TYR 32 14.397 1.516 3.416 207 HH TYR 32 HH TYR 32 14.366 4.895 4.072 208 H ASP 33 H ASP 33 7.584 1.409 8.380 209 HA ASP 33 HA ASP 33 6.094 -0.775 8.273 210 1HB ASP 33 1HB ASP 33 5.789 1.801 9.244 211 2HB ASP 33 2HB ASP 33 4.436 1.684 8.109 212 HD2 ASP 33 HD2 ASP 33 2.832 -0.696 10.125 213 H VAL 34 H VAL 34 4.590 -1.739 6.827 214 HA VAL 34 HA VAL 34 4.615 -0.766 4.140 215 HB VAL 34 HB VAL 34 3.513 -3.129 5.610 216 1HG1 VAL 34 1HG1 VAL 34 1.728 -2.327 4.040 217 2HG1 VAL 34 2HG1 VAL 34 2.879 -2.546 2.700 218 3HG1 VAL 34 3HG1 VAL 34 2.359 -3.948 3.666 219 1HG2 VAL 34 1HG2 VAL 34 5.081 -3.209 3.051 220 2HG2 VAL 34 2HG2 VAL 34 5.911 -2.797 4.571 221 3HG2 VAL 34 3HG2 VAL 34 5.063 -4.354 4.414 222 H GLY 35 H GLY 35 2.672 -0.247 2.875 223 1HA GLY 35 1HA GLY 35 0.495 0.840 4.558 224 2HA GLY 35 2HA GLY 35 1.203 1.739 3.231 225 H GLN 36 H GLN 36 -1.172 1.717 2.524 226 HA GLN 36 HA GLN 36 -1.524 0.303 0.309 227 1HB GLN 36 1HB GLN 36 -1.554 -1.847 1.180 228 2HB GLN 36 2HB GLN 36 -2.331 -1.353 2.693 229 1HG GLN 36 1HG GLN 36 -4.346 -1.889 1.844 230 2HG GLN 36 2HG GLN 36 -4.117 -0.755 0.505 231 1HE2 GLN 36 1HE2 GLN 36 -3.960 -1.531 -1.464 232 2HE2 GLN 36 2HE2 GLN 36 -3.669 -3.179 -1.914 233 H CYS 37 H CYS 37 -2.806 1.892 -0.542 234 HA CYS 37 HA CYS 37 -5.221 2.545 0.985 235 1HB CYS 37 1HB CYS 37 -3.629 4.439 -0.736 236 2HB CYS 37 2HB CYS 37 -5.099 4.825 0.178 237 H ALA 38 H ALA 38 -6.751 3.830 -0.809 238 HA ALA 38 HA ALA 38 -6.676 2.174 -3.236 239 1HB ALA 38 1HB ALA 38 -8.443 1.691 -1.312 240 2HB ALA 38 2HB ALA 38 -9.277 3.088 -2.035 241 3HB ALA 38 3HB ALA 38 -8.923 1.652 -3.025 242 H TRP 39 H TRP 39 -6.743 3.317 -5.122 243 HA TRP 39 HA TRP 39 -7.006 6.202 -4.873 244 1HB TRP 39 1HB TRP 39 -5.258 4.631 -6.238 245 2HB TRP 39 2HB TRP 39 -6.425 5.017 -7.504 246 HD1 TRP 39 HD TRP 39 -7.016 8.080 -6.573 247 HE1 TRP 39 1HE TRP 39 -5.240 9.996 -6.945 248 HE3 TRP 39 3HE TRP 39 -2.991 4.995 -6.956 249 HZ2 TRP 39 2HZ TRP 39 -2.415 10.006 -7.350 250 HZ3 TRP 39 3HZ TRP 39 -0.761 6.039 -7.340 251 HH2 TRP 39 HH TRP 39 -0.437 8.454 -7.536 252 H VAL 40 H VAL 40 -9.076 6.974 -4.991 253 HA VAL 40 HA VAL 40 -11.007 5.471 -6.567 254 HB VAL 40 HB VAL 40 -11.368 7.839 -4.721 255 1HG1 VAL 40 1HG1 VAL 40 -13.554 7.813 -5.213 256 2HG1 VAL 40 2HG1 VAL 40 -13.113 6.823 -6.625 257 3HG1 VAL 40 3HG1 VAL 40 -13.639 6.038 -5.117 258 1HG2 VAL 40 1HG2 VAL 40 -10.538 5.361 -3.937 259 2HG2 VAL 40 2HG2 VAL 40 -11.509 6.465 -2.936 260 3HG2 VAL 40 3HG2 VAL 40 -12.306 5.171 -3.862 261 H ASP 41 H ASP 41 -11.910 8.731 -6.286 262 HA ASP 41 HA ASP 41 -11.427 9.063 -9.096 263 1HB ASP 41 1HB ASP 41 -13.489 9.766 -7.374 264 2HB ASP 41 2HB ASP 41 -12.652 11.310 -7.597 265 HD2 ASP 41 HD2 ASP 41 -13.578 10.146 -11.177 266 H THR 42 H THR 42 -9.072 9.101 -7.391 267 HA THR 42 HA THR 42 -7.205 10.279 -7.106 268 HB THR 42 HB THR 42 -8.677 11.727 -9.231 269 HG1 THR 42 1HG THR 42 -6.380 11.610 -9.983 270 1HG2 THR 42 1HG2 THR 42 -6.495 13.142 -7.609 271 2HG2 THR 42 2HG2 THR 42 -7.077 13.660 -9.209 272 3HG2 THR 42 3HG2 THR 42 -8.171 13.709 -7.806 273 H GLY 43 H GLY 43 -9.948 12.652 -6.906 274 1HA GLY 43 1HA GLY 43 -8.798 14.112 -4.787 275 2HA GLY 43 2HA GLY 43 -10.473 14.137 -5.301 276 H VAL 44 H VAL 44 -10.196 10.945 -4.883 277 HA VAL 44 HA VAL 44 -10.542 11.058 -1.970 278 HB VAL 44 HB VAL 44 -12.203 9.417 -3.885 279 1HG1 VAL 44 1HG1 VAL 44 -12.046 8.445 -1.665 280 2HG1 VAL 44 2HG1 VAL 44 -12.472 10.004 -0.917 281 3HG1 VAL 44 3HG1 VAL 44 -13.672 9.131 -1.901 282 1HG2 VAL 44 1HG2 VAL 44 -13.114 11.428 -4.418 283 2HG2 VAL 44 2HG2 VAL 44 -13.975 11.189 -2.879 284 3HG2 VAL 44 3HG2 VAL 44 -12.522 12.216 -2.935 285 H LEU 45 H LEU 45 -9.319 9.598 -0.870 286 HA LEU 45 HA LEU 45 -8.372 7.266 -2.357 287 1HB LEU 45 1HB LEU 45 -6.727 9.211 -2.333 288 2HB LEU 45 2HB LEU 45 -6.531 8.874 -0.604 289 HG LEU 45 HG LEU 45 -6.171 6.394 -1.759 290 1HD1 LEU 45 1HD1 LEU 45 -4.352 7.981 -3.451 291 2HD1 LEU 45 2HD1 LEU 45 -5.219 6.465 -3.791 292 3HD1 LEU 45 3HD1 LEU 45 -6.064 8.026 -3.935 293 1HD2 LEU 45 1HD2 LEU 45 -4.071 8.465 -1.061 294 2HD2 LEU 45 2HD2 LEU 45 -4.860 7.333 0.064 295 3HD2 LEU 45 3HD2 LEU 45 -3.796 6.714 -1.222 296 H ALA 46 H ALA 46 -9.163 5.537 -1.291 297 HA ALA 46 HA ALA 46 -9.782 5.805 1.523 298 1HB ALA 46 1HB ALA 46 -10.955 4.506 -0.623 299 2HB ALA 46 2HB ALA 46 -10.134 3.178 0.232 300 3HB ALA 46 3HB ALA 46 -11.315 4.196 1.092 301 H CYS 47 H CYS 47 -7.738 5.946 2.546 302 HA CYS 47 HA CYS 47 -5.664 4.143 1.935 303 1HB CYS 47 1HB CYS 47 -6.149 6.341 3.762 304 2HB CYS 47 2HB CYS 47 -5.204 5.050 4.521 305 H ASN 48 H ASN 48 -4.822 2.453 3.484 306 HA ASN 48 HA ASN 48 -7.070 1.215 4.866 307 1HB ASN 48 1HB ASN 48 -5.958 0.029 2.840 308 2HB ASN 48 2HB ASN 48 -4.557 -0.223 3.893 309 1HD2 ASN 48 1HD2 ASN 48 -6.062 -2.268 2.720 310 2HD2 ASN 48 2HD2 ASN 48 -6.860 -3.186 3.953 311 HA PRO 49 HA PRO 49 -3.994 2.251 8.037 312 1HB PRO 49 1HB PRO 49 -5.760 3.061 9.957 313 2HB PRO 49 2HB PRO 49 -5.012 4.168 8.806 314 1HG PRO 49 1HG PRO 49 -7.742 3.054 8.864 315 2HG PRO 49 2HG PRO 49 -7.144 4.515 8.000 316 1HD PRO 49 1HD PRO 49 -7.784 1.942 6.916 317 2HD PRO 49 2HD PRO 49 -7.048 3.300 6.051 318 H ALA 50 H ALA 50 -4.624 -0.331 7.344 319 HA ALA 50 HA ALA 50 -4.673 -1.468 10.027 320 1HB ALA 50 1HB ALA 50 -6.195 -3.186 8.315 321 2HB ALA 50 2HB ALA 50 -6.726 -2.341 9.789 322 3HB ALA 50 3HB ALA 50 -6.886 -1.549 8.203 323 H ASP 51 H ASP 51 -3.028 -0.939 7.277 324 HA ASP 51 HA ASP 51 -2.365 -3.321 6.196 325 1HB ASP 51 1HB ASP 51 -0.185 -1.336 6.832 326 2HB ASP 51 2HB ASP 51 -0.457 -2.235 5.332 327 HD2 ASP 51 HD2 ASP 51 -1.680 1.398 5.499 328 H PHE 52 H PHE 52 -0.558 -1.568 8.847 329 HA PHE 52 HA PHE 52 0.513 -2.313 10.634 330 1HB PHE 52 1HB PHE 52 -1.463 -4.256 10.127 331 2HB PHE 52 2HB PHE 52 0.015 -5.222 10.181 332 HD1 PHE 52 1HD PHE 52 0.315 -6.237 12.217 333 HD2 PHE 52 2HD PHE 52 -1.343 -2.332 12.134 334 HE1 PHE 52 1HE PHE 52 0.209 -6.229 14.725 335 HE2 PHE 52 2HE PHE 52 -1.448 -2.324 14.643 336 HZ PHE 52 HZ PHE 52 -0.671 -4.271 15.907 337 H SER 53 H SER 53 0.741 -4.551 7.800 338 HA SER 53 HA SER 53 2.998 -5.817 8.191 339 1HB SER 53 1HB SER 53 1.839 -4.481 5.779 340 2HB SER 53 2HB SER 53 3.488 -5.118 5.627 341 HG SER 53 HG SER 53 1.292 -6.685 6.661 342 H SER 54 H SER 54 5.324 -5.440 7.624 343 HA SER 54 HA SER 54 6.104 -2.686 7.440 344 1HB SER 54 1HB SER 54 6.127 -2.658 9.764 345 2HB SER 54 2HB SER 54 6.539 -4.376 9.898 346 HG SER 54 HG SER 54 8.638 -3.895 9.806 347 H VAL 55 H VAL 55 8.158 -2.464 6.438 348 HA VAL 55 HA VAL 55 9.505 -5.007 5.837 349 HB VAL 55 HB VAL 55 8.301 -4.246 3.896 350 1HG1 VAL 55 1HG1 VAL 55 9.179 -1.618 4.795 351 2HG1 VAL 55 2HG1 VAL 55 9.524 -1.877 3.068 352 3HG1 VAL 55 3HG1 VAL 55 7.864 -2.064 3.682 353 1HG2 VAL 55 1HG2 VAL 55 10.321 -5.282 3.289 354 2HG2 VAL 55 2HG2 VAL 55 10.309 -3.769 2.351 355 3HG2 VAL 55 3HG2 VAL 55 11.301 -3.895 3.824 356 H THR 56 H THR 56 11.820 -4.929 5.718 357 HA THR 56 HA THR 56 12.925 -2.543 7.049 358 HB THR 56 HB THR 56 13.487 -5.528 7.216 359 HG1 THR 56 1HG THR 56 13.486 -4.646 9.535 360 1HG2 THR 56 1HG2 THR 56 15.491 -4.954 8.598 361 2HG2 THR 56 2HG2 THR 56 15.722 -4.448 6.907 362 3HG2 THR 56 3HG2 THR 56 15.304 -3.242 8.149 363 H ALA 57 H ALA 57 14.854 -1.619 6.312 364 HA ALA 57 HA ALA 57 15.196 -1.818 3.502 365 1HB ALA 57 1HB ALA 57 16.630 -0.349 5.739 366 2HB ALA 57 2HB ALA 57 17.119 -0.214 4.033 367 3HB ALA 57 3HB ALA 57 15.495 0.311 4.538 368 H ASP 58 H ASP 58 17.533 -2.077 2.580 369 HA ASP 58 HA ASP 58 18.838 -4.247 4.017 370 1HB ASP 58 1HB ASP 58 19.378 -5.141 1.642 371 2HB ASP 58 2HB ASP 58 17.743 -5.411 2.267 372 HD2 ASP 58 HD2 ASP 58 16.870 -4.238 -0.868 373 H ALA 59 H ALA 59 20.989 -3.674 4.372 374 HA ALA 59 HA ALA 59 22.736 -2.229 4.337 375 1HB ALA 59 1HB ALA 59 23.589 -4.096 3.151 376 2HB ALA 59 2HB ALA 59 22.669 -3.690 1.682 377 3HB ALA 59 3HB ALA 59 24.056 -2.688 2.170 378 H ASN 60 H ASN 60 22.125 -1.892 0.823 379 HA ASN 60 HA ASN 60 22.722 0.638 0.538 380 1HB ASN 60 1HB ASN 60 20.752 -1.167 -0.768 381 2HB ASN 60 2HB ASN 60 20.453 0.550 -1.069 382 1HD2 ASN 60 1HD2 ASN 60 21.286 -1.531 -2.901 383 2HD2 ASN 60 2HD2 ASN 60 22.802 -1.056 -3.589 384 H GLY 61 H GLY 61 19.514 -0.642 1.646 385 1HA GLY 61 1HA GLY 61 18.580 0.731 3.518 386 2HA GLY 61 2HA GLY 61 18.749 2.103 2.441 387 H SER 62 H SER 62 18.103 -0.481 0.415 388 HA SER 62 HA SER 62 15.439 0.414 0.046 389 1HB SER 62 1HB SER 62 17.432 -1.043 -1.437 390 2HB SER 62 2HB SER 62 15.927 -1.977 -1.453 391 HG SER 62 HG SER 62 15.683 0.804 -1.919 392 H ALA 63 H ALA 63 13.502 -0.660 0.571 393 HA ALA 63 HA ALA 63 13.698 -2.620 2.637 394 1HB ALA 63 1HB ALA 63 11.483 -2.117 3.005 395 2HB ALA 63 2HB ALA 63 11.945 -0.658 2.095 396 3HB ALA 63 3HB ALA 63 11.109 -1.995 1.269 397 H SER 64 H SER 64 12.546 -4.745 2.546 398 HA SER 64 HA SER 64 11.968 -5.795 -0.016 399 1HB SER 64 1HB SER 64 13.694 -7.541 -0.048 400 2HB SER 64 2HB SER 64 14.444 -5.933 -0.078 401 HG SER 64 HG SER 64 14.963 -6.157 2.141 402 H THR 65 H THR 65 10.210 -7.074 0.408 403 HA THR 65 HA THR 65 10.246 -9.191 2.216 404 HB THR 65 HB THR 65 10.269 -7.188 3.843 405 HG1 THR 65 1HG THR 65 8.578 -8.328 5.071 406 1HG2 THR 65 1HG2 THR 65 7.358 -7.007 2.910 407 2HG2 THR 65 2HG2 THR 65 8.106 -6.083 4.234 408 3HG2 THR 65 3HG2 THR 65 8.593 -5.777 2.549 409 H SER 66 H SER 66 7.356 -8.916 2.928 410 HA SER 66 HA SER 66 6.309 -9.115 0.213 411 1HB SER 66 1HB SER 66 5.301 -10.820 2.502 412 2HB SER 66 2HB SER 66 5.087 -11.079 0.760 413 HG SER 66 HG SER 66 6.776 -12.386 2.081 414 H LEU 67 H LEU 67 4.292 -8.125 -0.139 415 HA LEU 67 HA LEU 67 3.062 -6.925 2.245 416 1HB LEU 67 1HB LEU 67 3.744 -5.768 -0.417 417 2HB LEU 67 2HB LEU 67 2.332 -5.156 0.462 418 HG LEU 67 HG LEU 67 3.722 -4.461 2.306 419 1HD1 LEU 67 1HD1 LEU 67 6.331 -4.671 1.793 420 2HD1 LEU 67 2HD1 LEU 67 5.426 -5.916 2.686 421 3HD1 LEU 67 3HD1 LEU 67 5.778 -6.140 0.955 422 1HD2 LEU 67 1HD2 LEU 67 3.691 -2.674 0.904 423 2HD2 LEU 67 2HD2 LEU 67 5.440 -3.004 0.876 424 3HD2 LEU 67 3HD2 LEU 67 4.404 -3.577 -0.454 425 H THR 68 H THR 68 0.861 -7.179 2.485 426 HA THR 68 HA THR 68 -0.357 -9.163 0.806 427 HB THR 68 HB THR 68 -0.852 -9.309 3.141 428 HG1 THR 68 1HG THR 68 -3.014 -9.353 2.661 429 1HG2 THR 68 1HG2 THR 68 -2.179 -7.005 3.945 430 2HG2 THR 68 2HG2 THR 68 -0.489 -7.381 4.355 431 3HG2 THR 68 3HG2 THR 68 -0.854 -6.335 2.962 432 H VAL 69 H VAL 69 -0.777 -8.532 -1.256 433 HA VAL 69 HA VAL 69 -1.689 -5.919 -1.856 434 HB VAL 69 HB VAL 69 -1.758 -8.473 -3.475 435 1HG1 VAL 69 1HG1 VAL 69 -1.779 -6.939 -5.432 436 2HG1 VAL 69 2HG1 VAL 69 -3.242 -6.805 -4.428 437 3HG1 VAL 69 3HG1 VAL 69 -1.971 -5.564 -4.319 438 1HG2 VAL 69 1HG2 VAL 69 0.446 -6.864 -2.572 439 2HG2 VAL 69 2HG2 VAL 69 0.463 -8.328 -3.584 440 3HG2 VAL 69 3HG2 VAL 69 0.302 -6.725 -4.341 441 H ARG 70 H ARG 70 -3.368 -6.195 0.056 442 HA ARG 70 HA ARG 70 -5.529 -7.755 -0.088 443 1HB ARG 70 1HB ARG 70 -5.315 -4.821 0.700 444 2HB ARG 70 2HB ARG 70 -6.774 -5.779 1.006 445 1HG ARG 70 1HG ARG 70 -5.818 -6.862 2.757 446 2HG ARG 70 2HG ARG 70 -4.286 -7.107 1.899 447 1HD ARG 70 1HD ARG 70 -4.963 -4.319 2.787 448 2HD ARG 70 2HD ARG 70 -4.499 -5.475 4.044 449 HE ARG 70 HE ARG 70 -2.607 -5.722 1.956 450 1HH1 ARG 70 1HH1 ARG 70 -3.659 -3.256 4.236 451 2HH1 ARG 70 2HH1 ARG 70 -2.119 -2.465 4.287 452 1HH2 ARG 70 1HH2 ARG 70 -0.575 -4.678 2.024 453 2HH2 ARG 70 2HH2 ARG 70 -0.352 -3.280 3.021 454 H ARG 71 H ARG 71 -7.383 -7.931 -1.368 455 HA ARG 71 HA ARG 71 -7.398 -6.378 -3.741 456 1HB ARG 71 1HB ARG 71 -8.582 -8.853 -2.761 457 2HB ARG 71 2HB ARG 71 -9.819 -7.873 -3.567 458 1HG ARG 71 1HG ARG 71 -8.432 -7.718 -5.576 459 2HG ARG 71 2HG ARG 71 -7.098 -8.564 -4.771 460 1HD ARG 71 1HD ARG 71 -8.251 -10.166 -6.167 461 2HD ARG 71 2HD ARG 71 -8.664 -10.555 -4.491 462 HE ARG 71 HE ARG 71 -10.595 -8.719 -5.578 463 1HH1 ARG 71 1HH1 ARG 71 -9.604 -12.090 -5.787 464 2HH1 ARG 71 2HH1 ARG 71 -11.177 -12.656 -6.245 465 1HH2 ARG 71 1HH2 ARG 71 -12.668 -9.466 -6.182 466 2HH2 ARG 71 2HH2 ARG 71 -12.930 -11.153 -6.472 467 H SER 72 H SER 72 -9.686 -6.930 -0.964 468 HA SER 72 HA SER 72 -10.686 -4.246 -1.460 469 1HB SER 72 1HB SER 72 -12.987 -4.969 -1.092 470 2HB SER 72 2HB SER 72 -12.290 -5.894 -2.435 471 HG SER 72 HG SER 72 -13.384 -7.351 -1.089 472 H PHE 73 H PHE 73 -11.824 -3.328 0.522 473 HA PHE 73 HA PHE 73 -11.816 -4.586 2.977 474 1HB PHE 73 1HB PHE 73 -9.779 -3.428 3.959 475 2HB PHE 73 2HB PHE 73 -9.341 -4.610 2.720 476 HD1 PHE 73 1HD PHE 73 -10.139 -0.975 3.048 477 HD2 PHE 73 2HD PHE 73 -7.836 -3.959 1.099 478 HE1 PHE 73 1HE PHE 73 -8.875 0.807 1.815 479 HE2 PHE 73 2HE PHE 73 -6.571 -2.176 -0.134 480 HZ PHE 73 HZ PHE 73 -7.105 0.186 0.238 481 H GLU 74 H GLU 74 -11.354 -2.549 4.781 482 HA GLU 74 HA GLU 74 -13.116 -0.477 3.727 483 1HB GLU 74 1HB GLU 74 -13.814 -0.136 6.102 484 2HB GLU 74 2HB GLU 74 -14.184 -1.763 5.505 485 1HG GLU 74 1HG GLU 74 -13.006 -2.625 7.218 486 2HG GLU 74 2HG GLU 74 -11.540 -1.850 6.599 487 HE2 GLU 74 HE2 GLU 74 -12.662 -0.623 9.979 488 H GLY 75 H GLY 75 -11.670 1.098 3.016 489 1HA GLY 75 1HA GLY 75 -9.451 1.843 4.778 490 2HA GLY 75 2HA GLY 75 -9.688 2.317 3.107 491 H PHE 76 H PHE 76 -9.148 4.519 4.087 492 HA PHE 76 HA PHE 76 -11.654 5.749 4.978 493 1HB PHE 76 1HB PHE 76 -8.837 5.767 6.074 494 2HB PHE 76 2HB PHE 76 -9.702 7.307 6.129 495 HD1 PHE 76 1HD PHE 76 -11.092 7.752 7.932 496 HD2 PHE 76 2HD PHE 76 -10.066 3.723 7.087 497 HE1 PHE 76 1HE PHE 76 -12.227 7.020 10.048 498 HE2 PHE 76 2HE PHE 76 -11.201 2.990 9.203 499 HZ PHE 76 HZ PHE 76 -12.267 4.648 10.658 500 H LEU 77 H LEU 77 -12.234 7.580 3.860 501 HA LEU 77 HA LEU 77 -11.070 8.202 1.468 502 1HB LEU 77 1HB LEU 77 -12.992 9.456 3.313 503 2HB LEU 77 2HB LEU 77 -12.244 10.545 2.130 504 HG LEU 77 HG LEU 77 -12.964 8.627 0.444 505 1HD1 LEU 77 1HD1 LEU 77 -15.218 7.731 1.145 506 2HD1 LEU 77 2HD1 LEU 77 -13.810 7.018 1.967 507 3HD1 LEU 77 3HD1 LEU 77 -14.812 8.229 2.805 508 1HD2 LEU 77 1HD2 LEU 77 -14.444 10.130 -0.321 509 2HD2 LEU 77 2HD2 LEU 77 -15.322 10.211 1.225 510 3HD2 LEU 77 3HD2 LEU 77 -13.828 11.153 0.999 511 H PHE 78 H PHE 78 -10.489 9.695 4.710 512 HA PHE 78 HA PHE 78 -8.577 10.572 5.477 513 1HB PHE 78 1HB PHE 78 -7.648 9.255 3.294 514 2HB PHE 78 2HB PHE 78 -7.475 10.897 2.661 515 HD1 PHE 78 1HD PHE 78 -5.922 12.473 3.770 516 HD2 PHE 78 2HD PHE 78 -6.175 8.405 4.954 517 HE1 PHE 78 1HE PHE 78 -3.723 12.683 4.961 518 HE2 PHE 78 2HE PHE 78 -3.975 8.616 6.145 519 HZ PHE 78 HZ PHE 78 -2.775 10.752 6.134 520 H ASP 79 H ASP 79 -10.985 11.862 3.877 521 HA ASP 79 HA ASP 79 -10.147 14.496 4.416 522 1HB ASP 79 1HB ASP 79 -9.328 13.765 1.970 523 2HB ASP 79 2HB ASP 79 -11.005 14.139 1.547 524 HD2 ASP 79 HD2 ASP 79 -9.686 17.443 3.032 525 H GLY 80 H GLY 80 -12.253 12.481 5.094 526 1HA GLY 80 1HA GLY 80 -14.543 14.145 4.953 527 2HA GLY 80 2HA GLY 80 -14.669 12.852 3.778 528 H THR 81 H THR 81 -13.852 10.573 4.769 529 HA THR 81 HA THR 81 -14.044 10.031 7.458 530 HB THR 81 HB THR 81 -16.598 10.781 6.302 531 HG1 THR 81 1HG THR 81 -16.172 11.278 8.458 532 1HG2 THR 81 1HG2 THR 81 -17.956 8.873 6.848 533 2HG2 THR 81 2HG2 THR 81 -16.645 8.212 5.841 534 3HG2 THR 81 3HG2 THR 81 -16.589 8.025 7.611 535 H ARG 82 H ARG 82 -14.712 7.608 7.828 536 HA ARG 82 HA ARG 82 -13.009 6.125 6.337 537 1HB ARG 82 1HB ARG 82 -14.093 4.153 7.350 538 2HB ARG 82 2HB ARG 82 -13.969 5.453 8.550 539 1HG ARG 82 1HG ARG 82 -16.435 5.860 7.218 540 2HG ARG 82 2HG ARG 82 -16.341 4.113 7.501 541 1HD ARG 82 1HD ARG 82 -16.202 4.389 9.845 542 2HD ARG 82 2HD ARG 82 -15.682 6.076 9.721 543 HE ARG 82 HE ARG 82 -18.360 5.534 8.635 544 1HH1 ARG 82 1HH1 ARG 82 -16.505 6.452 11.481 545 2HH1 ARG 82 2HH1 ARG 82 -17.850 7.205 12.272 546 1HH2 ARG 82 1HH2 ARG 82 -20.135 6.528 9.678 547 2HH2 ARG 82 2HH2 ARG 82 -19.928 7.248 11.239 548 H TRP 83 H TRP 83 -13.218 4.686 4.533 549 HA TRP 83 HA TRP 83 -15.283 5.398 2.694 550 1HB TRP 83 1HB TRP 83 -12.708 4.494 2.493 551 2HB TRP 83 2HB TRP 83 -13.635 3.055 2.065 552 HD1 TRP 83 HD TRP 83 -12.172 5.981 0.435 553 HE1 TRP 83 1HE TRP 83 -13.176 6.511 -1.947 554 HE3 TRP 83 3HE TRP 83 -16.277 3.021 0.929 555 HZ2 TRP 83 2HZ TRP 83 -15.523 5.653 -3.326 556 HZ3 TRP 83 3HZ TRP 83 -17.875 2.923 -0.982 557 HH2 TRP 83 HH TRP 83 -17.550 4.178 -3.055 558 H GLY 84 H GLY 84 -14.194 2.058 3.570 559 1HA GLY 84 1HA GLY 84 -16.013 0.906 5.009 560 2HA GLY 84 2HA GLY 84 -17.017 1.241 3.613 561 H THR 85 H THR 85 -16.494 -1.409 4.510 562 HA THR 85 HA THR 85 -14.334 -2.606 3.156 563 HB THR 85 HB THR 85 -16.943 -3.524 4.424 564 HG1 THR 85 1HG THR 85 -15.432 -3.858 6.023 565 1HG2 THR 85 1HG2 THR 85 -15.394 -5.807 4.145 566 2HG2 THR 85 2HG2 THR 85 -16.814 -5.437 3.138 567 3HG2 THR 85 3HG2 THR 85 -15.180 -5.037 2.555 568 H VAL 86 H VAL 86 -14.520 -1.348 1.095 569 HA VAL 86 HA VAL 86 -16.485 -2.639 -0.667 570 HB VAL 86 HB VAL 86 -16.680 -0.171 -0.303 571 1HG1 VAL 86 1HG1 VAL 86 -13.925 -0.230 -1.542 572 2HG1 VAL 86 2HG1 VAL 86 -14.981 1.196 -1.682 573 3HG1 VAL 86 3HG1 VAL 86 -14.479 0.616 -0.076 574 1HG2 VAL 86 1HG2 VAL 86 -17.173 -1.614 -2.509 575 2HG2 VAL 86 2HG2 VAL 86 -17.448 0.143 -2.428 576 3HG2 VAL 86 3HG2 VAL 86 -15.965 -0.491 -3.181 577 H ASP 87 H ASP 87 -15.600 -2.672 -3.059 578 HA ASP 87 HA ASP 87 -13.329 -4.303 -2.962 579 1HB ASP 87 1HB ASP 87 -14.221 -3.022 -5.530 580 2HB ASP 87 2HB ASP 87 -13.757 -4.702 -5.229 581 HD2 ASP 87 HD2 ASP 87 -17.031 -5.489 -4.182 582 H CYS 88 H CYS 88 -11.146 -3.795 -3.499 583 HA CYS 88 HA CYS 88 -10.609 -0.951 -3.806 584 1HB CYS 88 1HB CYS 88 -9.512 -2.855 -2.168 585 2HB CYS 88 2HB CYS 88 -8.312 -2.735 -3.468 586 H THR 89 H THR 89 -10.194 -4.188 -5.298 587 HA THR 89 HA THR 89 -8.386 -3.589 -7.289 588 HB THR 89 HB THR 89 -8.988 -5.869 -6.989 589 HG1 THR 89 1HG THR 89 -9.029 -5.057 -9.278 590 1HG2 THR 89 1HG2 THR 89 -11.038 -6.377 -6.113 591 2HG2 THR 89 2HG2 THR 89 -11.659 -4.760 -6.520 592 3HG2 THR 89 3HG2 THR 89 -11.730 -6.069 -7.723 593 H THR 90 H THR 90 -11.857 -2.784 -7.066 594 HA THR 90 HA THR 90 -12.042 -1.957 -9.788 595 HB THR 90 HB THR 90 -13.715 -1.891 -7.275 596 HG1 THR 90 1HG THR 90 -14.118 -3.626 -8.653 597 1HG2 THR 90 1HG2 THR 90 -14.103 -0.143 -9.745 598 2HG2 THR 90 2HG2 THR 90 -15.494 -0.746 -8.812 599 3HG2 THR 90 3HG2 THR 90 -14.293 0.314 -8.034 600 H ALA 91 H ALA 91 -10.743 -0.536 -6.872 601 HA ALA 91 HA ALA 91 -10.708 2.072 -8.224 602 1HB ALA 91 1HB ALA 91 -9.909 2.060 -5.416 603 2HB ALA 91 2HB ALA 91 -11.194 2.988 -6.225 604 3HB ALA 91 3HB ALA 91 -11.521 1.338 -5.640 605 H ALA 92 H ALA 92 -8.957 -0.442 -8.592 606 HA ALA 92 HA ALA 92 -6.792 -1.026 -8.568 607 1HB ALA 92 1HB ALA 92 -5.376 0.773 -9.681 608 2HB ALA 92 2HB ALA 92 -6.890 0.362 -10.523 609 3HB ALA 92 3HB ALA 92 -6.787 1.850 -9.551 610 H CYS 93 H CYS 93 -6.962 -1.160 -6.097 611 HA CYS 93 HA CYS 93 -6.166 0.836 -4.421 612 1HB CYS 93 1HB CYS 93 -6.747 -1.859 -4.228 613 2HB CYS 93 2HB CYS 93 -5.085 -1.746 -3.619 614 H GLN 94 H GLN 94 -3.864 0.288 -3.048 615 HA GLN 94 HA GLN 94 -1.720 -0.264 -4.817 616 1HB GLN 94 1HB GLN 94 -0.629 1.947 -4.644 617 2HB GLN 94 2HB GLN 94 -2.174 2.057 -5.505 618 1HG GLN 94 1HG GLN 94 -2.390 2.415 -2.575 619 2HG GLN 94 2HG GLN 94 -1.400 3.652 -3.366 620 1HE2 GLN 94 1HE2 GLN 94 -2.315 5.137 -4.675 621 2HE2 GLN 94 2HE2 GLN 94 -4.018 5.315 -4.939 622 H VAL 95 H VAL 95 0.287 -0.580 -3.663 623 HA VAL 95 HA VAL 95 0.057 -0.266 -0.757 624 HB VAL 95 HB VAL 95 0.815 -2.718 -2.338 625 1HG1 VAL 95 1HG1 VAL 95 1.799 -1.821 0.307 626 2HG1 VAL 95 2HG1 VAL 95 1.184 -3.490 0.246 627 3HG1 VAL 95 3HG1 VAL 95 2.494 -2.984 -0.847 628 1HG2 VAL 95 1HG2 VAL 95 -1.247 -3.370 -1.796 629 2HG2 VAL 95 2HG2 VAL 95 -0.799 -3.292 -0.075 630 3HG2 VAL 95 3HG2 VAL 95 -1.511 -1.871 -0.874 631 H GLY 96 H GLY 96 1.569 1.236 -0.247 632 1HA GLY 96 1HA GLY 96 4.185 1.025 -1.618 633 2HA GLY 96 2HA GLY 96 3.432 2.544 -1.172 634 H LEU 97 H LEU 97 5.559 2.855 0.004 635 HA LEU 97 HA LEU 97 5.696 1.312 2.480 636 1HB LEU 97 1HB LEU 97 7.837 1.328 2.046 637 2HB LEU 97 2HB LEU 97 7.609 2.418 0.666 638 HG LEU 97 HG LEU 97 7.617 3.652 3.372 639 1HD1 LEU 97 1HD1 LEU 97 9.632 1.803 2.756 640 2HD1 LEU 97 2HD1 LEU 97 10.345 3.404 2.450 641 3HD1 LEU 97 3HD1 LEU 97 9.641 3.035 4.041 642 1HD2 LEU 97 1HD2 LEU 97 9.350 5.014 1.689 643 2HD2 LEU 97 2HD2 LEU 97 8.081 4.411 0.597 644 3HD2 LEU 97 3HD2 LEU 97 7.643 5.409 2.004 645 H SER 98 H SER 98 5.990 2.465 4.546 646 HA SER 98 HA SER 98 5.322 5.233 4.562 647 1HB SER 98 1HB SER 98 3.073 4.427 4.388 648 2HB SER 98 2HB SER 98 3.357 3.144 5.577 649 HG SER 98 HG SER 98 2.269 4.768 6.674 650 H ASP 99 H ASP 99 6.764 6.003 6.056 651 HA ASP 99 HA ASP 99 7.646 4.184 8.106 652 1HB ASP 99 1HB ASP 99 8.812 6.798 8.367 653 2HB ASP 99 2HB ASP 99 9.600 5.301 7.844 654 HD2 ASP 99 HD2 ASP 99 10.121 6.827 4.837 655 H ALA 100 H ALA 100 8.004 5.315 10.395 656 HA ALA 100 HA ALA 100 5.468 6.533 11.105 657 1HB ALA 100 1HB ALA 100 6.299 4.619 12.399 658 2HB ALA 100 2HB ALA 100 7.803 5.498 12.765 659 3HB ALA 100 3HB ALA 100 6.251 6.077 13.417 660 H ALA 101 H ALA 101 7.340 8.082 9.458 661 HA ALA 101 HA ALA 101 7.149 10.532 10.495 662 1HB ALA 101 1HB ALA 101 9.659 10.768 11.357 663 2HB ALA 101 2HB ALA 101 8.348 10.276 12.456 664 3HB ALA 101 3HB ALA 101 9.433 9.049 11.761 665 H GLY 102 H GLY 102 7.165 9.182 8.008 666 1HA GLY 102 1HA GLY 102 9.333 10.650 6.662 667 2HA GLY 102 2HA GLY 102 9.093 8.948 6.320 668 H ASN 103 H ASN 103 6.423 8.519 6.142 669 HA ASN 103 HA ASN 103 5.019 10.574 4.880 670 1HB ASN 103 1HB ASN 103 6.856 9.656 3.143 671 2HB ASN 103 2HB ASN 103 5.658 8.377 2.901 672 1HD2 ASN 103 1HD2 ASN 103 6.003 11.908 3.119 673 2HD2 ASN 103 2HD2 ASN 103 4.836 12.322 1.907 674 H GLY 104 H GLY 104 3.404 8.862 3.132 675 1HA GLY 104 1HA GLY 104 2.581 6.627 4.850 676 2HA GLY 104 2HA GLY 104 1.418 7.890 4.497 677 HA PRO 105 HA PRO 105 0.598 5.988 0.688 678 1HB PRO 105 1HB PRO 105 -0.283 8.074 -0.838 679 2HB PRO 105 2HB PRO 105 -1.293 7.259 0.355 680 1HG PRO 105 1HG PRO 105 0.075 9.870 0.494 681 2HG PRO 105 2HG PRO 105 -1.309 9.273 1.479 682 1HD PRO 105 1HD PRO 105 1.437 9.536 2.243 683 2HD PRO 105 2HD PRO 105 0.145 8.795 3.194 684 H GLU 106 H GLU 106 1.405 5.326 -1.297 685 HA GLU 106 HA GLU 106 3.750 6.904 -2.026 686 1HB GLU 106 1HB GLU 106 4.048 4.519 -1.030 687 2HB GLU 106 2HB GLU 106 3.471 3.939 -2.603 688 1HG GLU 106 1HG GLU 106 5.842 5.803 -2.150 689 2HG GLU 106 2HG GLU 106 5.964 4.071 -2.496 690 HE2 GLU 106 HE2 GLU 106 5.477 6.581 -5.459 691 H GLY 107 H GLY 107 1.227 4.603 -3.267 692 1HA GLY 107 1HA GLY 107 -0.163 5.350 -5.086 693 2HA GLY 107 2HA GLY 107 1.230 6.148 -5.788 694 H VAL 108 H VAL 108 1.608 2.977 -4.238 695 HA VAL 108 HA VAL 108 2.615 1.881 -6.661 696 HB VAL 108 HB VAL 108 1.999 0.681 -3.953 697 1HG1 VAL 108 1HG1 VAL 108 2.065 -0.936 -5.943 698 2HG1 VAL 108 2HG1 VAL 108 3.795 -0.533 -6.063 699 3HG1 VAL 108 3HG1 VAL 108 3.154 -1.279 -4.578 700 1HG2 VAL 108 1HG2 VAL 108 3.699 2.387 -3.796 701 2HG2 VAL 108 2HG2 VAL 108 4.481 0.792 -3.675 702 3HG2 VAL 108 3HG2 VAL 108 4.568 1.714 -5.196 703 H ALA 109 H ALA 109 0.666 2.303 -8.015 704 HA ALA 109 HA ALA 109 -1.799 1.133 -7.490 705 1HB ALA 109 1HB ALA 109 -1.591 2.836 -9.162 706 2HB ALA 109 2HB ALA 109 -0.360 1.908 -10.051 707 3HB ALA 109 3HB ALA 109 -2.048 1.344 -10.019 708 H ILE 110 H ILE 110 -2.135 -0.990 -7.039 709 HA ILE 110 HA ILE 110 -0.581 -2.926 -8.607 710 HB ILE 110 HB ILE 110 -1.739 -3.022 -5.832 711 1HG1 ILE 110 1HG1 ILE 110 0.986 -3.966 -6.317 712 2HG1 ILE 110 2HG1 ILE 110 0.749 -2.267 -6.763 713 1HG2 ILE 110 1HG2 ILE 110 -0.629 -5.438 -6.007 714 2HG2 ILE 110 2HG2 ILE 110 -2.341 -5.142 -6.393 715 3HG2 ILE 110 3HG2 ILE 110 -1.141 -5.262 -7.703 716 1HD1 ILE 110 1HD1 ILE 110 1.264 -2.057 -4.498 717 2HD1 ILE 110 2HD1 ILE 110 -0.511 -2.180 -4.411 718 3HD1 ILE 110 3HD1 ILE 110 0.498 -3.608 -4.075 719 H SER 111 H SER 111 -1.663 -4.675 -9.618 720 HA SER 111 HA SER 111 -4.400 -4.027 -10.207 721 1HB SER 111 1HB SER 111 -3.020 -6.426 -11.367 722 2HB SER 111 2HB SER 111 -4.134 -5.289 -12.146 723 HG SER 111 HG SER 111 -1.792 -5.180 -12.781 724 H PHE 112 H PHE 112 -5.564 -4.640 -8.313 725 HA PHE 112 HA PHE 112 -5.151 -7.274 -7.231 726 1HB PHE 112 1HB PHE 112 -7.239 -5.074 -6.741 727 2HB PHE 112 2HB PHE 112 -6.962 -6.450 -5.669 728 HD1 PHE 112 1HD PHE 112 -5.383 -3.389 -7.046 729 HD2 PHE 112 2HD PHE 112 -5.323 -6.334 -3.989 730 HE1 PHE 112 1HE PHE 112 -3.683 -2.043 -5.781 731 HE2 PHE 112 2HE PHE 112 -3.624 -4.987 -2.725 732 HZ PHE 112 HZ PHE 112 -2.824 -2.858 -3.636 733 H ASN 113 H ASN 113 -6.377 -9.089 -7.606 734 HA ASN 113 HA ASN 113 -8.005 -9.137 -9.839 735 1HB ASN 113 1HB ASN 113 -7.121 -10.988 -7.724 736 2HB ASN 113 2HB ASN 113 -8.761 -11.360 -8.275 737 1HD2 ASN 113 1HD2 ASN 113 -7.144 -13.275 -8.774 738 2HD2 ASN 113 2HD2 ASN 113 -6.582 -13.344 -10.411 Start of MODEL 6 1 H ALA 1 H ALA 1 9.035 9.813 -9.648 2 HA ALA 1 HA ALA 1 10.394 11.327 -8.708 3 1HB ALA 1 1HB ALA 1 9.481 13.266 -9.637 4 2HB ALA 1 2HB ALA 1 7.894 13.009 -8.871 5 3HB ALA 1 3HB ALA 1 9.275 13.563 -7.894 6 H ALA 2 H ALA 2 11.177 11.272 -6.613 7 HA ALA 2 HA ALA 2 11.107 11.194 -4.364 8 1HB ALA 2 1HB ALA 2 8.640 12.194 -4.782 9 2HB ALA 2 2HB ALA 2 8.186 10.581 -4.181 10 3HB ALA 2 3HB ALA 2 9.194 11.651 -3.179 11 HA PRO 3 HA PRO 3 11.224 6.899 -3.879 12 1HB PRO 3 1HB PRO 3 11.156 6.559 -1.168 13 2HB PRO 3 2HB PRO 3 12.610 7.035 -2.045 14 1HG PRO 3 1HG PRO 3 10.771 8.654 -0.400 15 2HG PRO 3 2HG PRO 3 12.469 9.019 -0.877 16 1HD PRO 3 1HD PRO 3 10.047 10.137 -1.918 17 2HD PRO 3 2HD PRO 3 11.684 10.411 -2.529 18 H THR 4 H THR 4 10.195 4.850 -3.192 19 HA THR 4 HA THR 4 7.698 4.856 -1.983 20 HB THR 4 HB THR 4 6.621 4.350 -4.492 21 HG1 THR 4 1HG THR 4 7.580 5.945 -5.854 22 1HG2 THR 4 1HG2 THR 4 6.383 6.396 -2.468 23 2HG2 THR 4 2HG2 THR 4 6.462 7.203 -4.053 24 3HG2 THR 4 3HG2 THR 4 5.209 5.978 -3.739 25 H ALA 5 H ALA 5 6.588 2.739 -2.177 26 HA ALA 5 HA ALA 5 8.601 0.699 -2.795 27 1HB ALA 5 1HB ALA 5 7.002 1.208 -0.521 28 2HB ALA 5 2HB ALA 5 6.296 -0.231 -1.293 29 3HB ALA 5 3HB ALA 5 8.015 -0.222 -0.830 30 H THR 6 H THR 6 7.764 -1.377 -3.723 31 HA THR 6 HA THR 6 5.207 -1.231 -5.059 32 HB THR 6 HB THR 6 6.085 -1.226 -7.300 33 HG1 THR 6 1HG THR 6 8.243 -1.847 -7.613 34 1HG2 THR 6 1HG2 THR 6 6.306 1.059 -6.263 35 2HG2 THR 6 2HG2 THR 6 7.935 0.618 -5.697 36 3HG2 THR 6 3HG2 THR 6 7.601 0.737 -7.441 37 H VAL 7 H VAL 7 4.629 -3.287 -6.111 38 HA VAL 7 HA VAL 7 6.137 -5.488 -4.876 39 HB VAL 7 HB VAL 7 3.727 -4.833 -4.107 40 1HG1 VAL 7 1HG1 VAL 7 1.983 -6.112 -5.368 41 2HG1 VAL 7 2HG1 VAL 7 2.650 -4.724 -6.259 42 3HG1 VAL 7 3HG1 VAL 7 3.177 -6.376 -6.662 43 1HG2 VAL 7 1HG2 VAL 7 3.236 -7.430 -3.999 44 2HG2 VAL 7 2HG2 VAL 7 4.903 -7.544 -4.613 45 3HG2 VAL 7 3HG2 VAL 7 4.576 -6.708 -3.076 46 H THR 8 H THR 8 6.800 -7.164 -6.191 47 HA THR 8 HA THR 8 7.336 -6.864 -8.779 48 HB THR 8 HB THR 8 6.835 -9.161 -6.942 49 HG1 THR 8 1HG THR 8 9.009 -9.373 -7.553 50 1HG2 THR 8 1HG2 THR 8 7.495 -10.591 -9.141 51 2HG2 THR 8 2HG2 THR 8 5.797 -10.387 -8.647 52 3HG2 THR 8 3HG2 THR 8 6.478 -9.363 -9.933 53 HA PRO 9 HA PRO 9 3.149 -8.372 -10.249 54 1HB PRO 9 1HB PRO 9 1.170 -9.010 -8.476 55 2HB PRO 9 2HB PRO 9 2.261 -10.204 -9.174 56 1HG PRO 9 1HG PRO 9 2.244 -8.994 -6.484 57 2HG PRO 9 2HG PRO 9 3.028 -10.523 -7.022 58 1HD PRO 9 1HD PRO 9 4.256 -7.998 -6.460 59 2HD PRO 9 2HD PRO 9 5.044 -9.427 -7.141 60 H SER 10 H SER 10 0.509 -7.722 -9.893 61 HA SER 10 HA SER 10 -0.341 -5.658 -8.670 62 1HB SER 10 1HB SER 10 1.423 -4.155 -8.837 63 2HB SER 10 2HB SER 10 1.835 -4.641 -10.492 64 HG SER 10 HG SER 10 0.214 -3.365 -11.304 65 H SER 11 H SER 11 -1.182 -7.777 -10.381 66 HA SER 11 HA SER 11 -3.188 -6.472 -11.794 67 1HB SER 11 1HB SER 11 -2.578 -7.235 -14.105 68 2HB SER 11 2HB SER 11 -1.510 -5.967 -13.478 69 HG SER 11 HG SER 11 -0.316 -8.172 -12.725 70 H GLY 12 H GLY 12 -4.899 -7.901 -11.761 71 1HA GLY 12 1HA GLY 12 -6.049 -9.824 -11.607 72 2HA GLY 12 2HA GLY 12 -4.744 -10.601 -12.481 73 H LEU 13 H LEU 13 -4.266 -8.902 -9.366 74 HA LEU 13 HA LEU 13 -3.169 -11.306 -8.253 75 1HB LEU 13 1HB LEU 13 -3.592 -8.573 -7.055 76 2HB LEU 13 2HB LEU 13 -2.629 -9.882 -6.350 77 HG LEU 13 HG LEU 13 -2.011 -8.009 -8.578 78 1HD1 LEU 13 1HD1 LEU 13 -1.092 -8.065 -6.137 79 2HD1 LEU 13 2HD1 LEU 13 -0.032 -9.351 -6.763 80 3HD1 LEU 13 3HD1 LEU 13 0.008 -7.728 -7.495 81 1HD2 LEU 13 1HD2 LEU 13 -0.398 -9.484 -9.616 82 2HD2 LEU 13 2HD2 LEU 13 -0.849 -10.807 -8.513 83 3HD2 LEU 13 3HD2 LEU 13 -2.023 -10.203 -9.709 84 H SER 14 H SER 14 -4.230 -10.249 -5.497 85 HA SER 14 HA SER 14 -6.995 -10.785 -5.616 86 1HB SER 14 1HB SER 14 -5.691 -13.087 -5.802 87 2HB SER 14 2HB SER 14 -5.504 -12.889 -4.050 88 HG SER 14 HG SER 14 -7.415 -13.975 -4.223 89 H ASP 15 H ASP 15 -7.927 -10.857 -3.288 90 HA ASP 15 HA ASP 15 -6.779 -8.771 -1.859 91 1HB ASP 15 1HB ASP 15 -8.515 -9.231 -0.195 92 2HB ASP 15 2HB ASP 15 -9.203 -9.376 -1.819 93 HD2 ASP 15 HD2 ASP 15 -9.443 -12.393 0.630 94 H GLY 16 H GLY 16 -4.685 -9.170 -1.011 95 1HA GLY 16 1HA GLY 16 -3.553 -9.874 0.946 96 2HA GLY 16 2HA GLY 16 -4.493 -11.353 0.959 97 H THR 17 H THR 17 -3.319 -10.166 -2.151 98 HA THR 17 HA THR 17 -1.899 -12.553 -2.644 99 HB THR 17 HB THR 17 -2.481 -9.934 -3.995 100 HG1 THR 17 1HG THR 17 -2.796 -11.773 -5.667 101 1HG2 THR 17 1HG2 THR 17 -0.220 -9.917 -4.710 102 2HG2 THR 17 2HG2 THR 17 -0.071 -11.686 -4.582 103 3HG2 THR 17 3HG2 THR 17 -0.980 -10.965 -5.932 104 H VAL 18 H VAL 18 -0.509 -12.754 -0.769 105 HA VAL 18 HA VAL 18 1.492 -10.807 -0.292 106 HB VAL 18 HB VAL 18 1.438 -13.723 0.499 107 1HG1 VAL 18 1HG1 VAL 18 2.489 -12.043 2.533 108 2HG1 VAL 18 2HG1 VAL 18 3.346 -13.260 1.556 109 3HG1 VAL 18 3HG1 VAL 18 3.273 -11.569 1.006 110 1HG2 VAL 18 1HG2 VAL 18 -0.491 -13.232 1.544 111 2HG2 VAL 18 2HG2 VAL 18 0.522 -12.309 2.679 112 3HG2 VAL 18 3HG2 VAL 18 -0.275 -11.479 1.322 113 H VAL 19 H VAL 19 3.153 -10.342 -1.631 114 HA VAL 19 HA VAL 19 4.509 -12.592 -2.900 115 HB VAL 19 HB VAL 19 4.678 -11.064 -4.964 116 1HG1 VAL 19 1HG1 VAL 19 3.552 -12.970 -5.483 117 2HG1 VAL 19 2HG1 VAL 19 2.447 -12.829 -4.095 118 3HG1 VAL 19 3HG1 VAL 19 2.168 -11.853 -5.555 119 1HG2 VAL 19 1HG2 VAL 19 3.577 -9.127 -4.973 120 2HG2 VAL 19 2HG2 VAL 19 2.041 -9.985 -4.701 121 3HG2 VAL 19 3HG2 VAL 19 3.013 -9.440 -3.313 122 H LYS 20 H LYS 20 6.478 -11.231 -4.265 123 HA LYS 20 HA LYS 20 8.007 -10.209 -2.067 124 1HB LYS 20 1HB LYS 20 8.634 -11.702 -4.202 125 2HB LYS 20 2HB LYS 20 9.063 -10.106 -4.845 126 1HG LYS 20 1HG LYS 20 10.778 -9.817 -3.335 127 2HG LYS 20 2HG LYS 20 9.969 -10.736 -2.055 128 1HD LYS 20 1HD LYS 20 10.528 -12.839 -3.146 129 2HD LYS 20 2HD LYS 20 11.171 -11.992 -4.564 130 1HE LYS 20 1HE LYS 20 12.615 -10.857 -2.491 131 2HE LYS 20 2HE LYS 20 12.427 -12.526 -1.929 132 1HZ LYS 20 1HZ LYS 20 14.375 -12.099 -3.361 133 2HZ LYS 20 2HZ LYS 20 13.404 -13.290 -3.915 134 3HZ LYS 20 3HZ LYS 20 13.370 -11.815 -4.617 135 H VAL 21 H VAL 21 8.562 -8.101 -1.627 136 HA VAL 21 HA VAL 21 7.640 -6.098 -3.560 137 HB VAL 21 HB VAL 21 6.037 -6.443 -1.662 138 1HG1 VAL 21 1HG1 VAL 21 7.430 -4.904 0.315 139 2HG1 VAL 21 2HG1 VAL 21 6.748 -6.543 0.447 140 3HG1 VAL 21 3HG1 VAL 21 8.422 -6.318 -0.115 141 1HG2 VAL 21 1HG2 VAL 21 7.394 -3.790 -2.153 142 2HG2 VAL 21 2HG2 VAL 21 5.842 -4.390 -2.785 143 3HG2 VAL 21 3HG2 VAL 21 5.988 -3.931 -1.071 144 H ALA 22 H ALA 22 9.002 -4.309 -3.807 145 HA ALA 22 HA ALA 22 11.308 -4.165 -2.026 146 1HB ALA 22 1HB ALA 22 12.314 -3.707 -4.623 147 2HB ALA 22 2HB ALA 22 12.653 -5.099 -3.567 148 3HB ALA 22 3HB ALA 22 11.327 -5.182 -4.750 149 H GLY 23 H GLY 23 12.380 -2.045 -2.117 150 1HA GLY 23 1HA GLY 23 12.494 0.180 -2.739 151 2HA GLY 23 2HA GLY 23 10.979 0.040 -3.607 152 H ALA 24 H ALA 24 10.984 2.239 -2.176 153 HA ALA 24 HA ALA 24 8.877 2.332 -0.615 154 1HB ALA 24 1HB ALA 24 9.927 2.160 1.775 155 2HB ALA 24 2HB ALA 24 9.455 0.665 0.931 156 3HB ALA 24 3HB ALA 24 11.164 1.160 0.976 157 H GLY 25 H GLY 25 10.104 3.762 1.765 158 1HA GLY 25 1HA GLY 25 10.340 6.310 0.587 159 2HA GLY 25 2HA GLY 25 10.689 5.879 2.250 160 H LEU 26 H LEU 26 12.514 3.751 0.418 161 HA LEU 26 HA LEU 26 14.703 3.557 0.133 162 1HB LEU 26 1HB LEU 26 14.162 4.704 -1.880 163 2HB LEU 26 2HB LEU 26 14.261 6.284 -1.082 164 HG LEU 26 HG LEU 26 16.765 5.255 -0.634 165 1HD1 LEU 26 1HD1 LEU 26 16.456 3.301 -1.988 166 2HD1 LEU 26 2HD1 LEU 26 15.844 4.274 -3.347 167 3HD1 LEU 26 3HD1 LEU 26 17.547 4.414 -2.848 168 1HD2 LEU 26 1HD2 LEU 26 16.914 7.386 -1.322 169 2HD2 LEU 26 2HD2 LEU 26 17.156 6.666 -2.932 170 3HD2 LEU 26 3HD2 LEU 26 15.541 7.233 -2.444 171 H GLN 27 H GLN 27 14.193 4.016 2.747 172 HA GLN 27 HA GLN 27 15.478 6.308 3.729 173 1HB GLN 27 1HB GLN 27 13.780 5.137 5.027 174 2HB GLN 27 2HB GLN 27 14.763 3.664 5.071 175 1HG GLN 27 1HG GLN 27 15.292 4.580 7.134 176 2HG GLN 27 2HG GLN 27 16.570 5.313 6.149 177 1HE2 GLN 27 1HE2 GLN 27 15.205 6.156 8.643 178 2HE2 GLN 27 2HE2 GLN 27 14.591 7.751 8.355 179 H ALA 28 H ALA 28 16.582 3.323 5.212 180 HA ALA 28 HA ALA 28 18.889 2.809 3.802 181 1HB ALA 28 1HB ALA 28 20.327 4.464 4.283 182 2HB ALA 28 2HB ALA 28 19.028 5.327 5.142 183 3HB ALA 28 3HB ALA 28 20.080 4.195 6.025 184 H GLY 29 H GLY 29 17.828 0.790 4.520 185 1HA GLY 29 1HA GLY 29 17.587 -0.977 5.892 186 2HA GLY 29 2HA GLY 29 19.144 -0.506 6.544 187 H THR 30 H THR 30 15.767 0.856 6.686 188 HA THR 30 HA THR 30 15.917 0.655 9.605 189 HB THR 30 HB THR 30 16.203 3.076 8.053 190 HG1 THR 30 1HG THR 30 15.682 2.334 10.845 191 1HG2 THR 30 1HG2 THR 30 14.411 4.427 9.116 192 2HG2 THR 30 2HG2 THR 30 13.687 3.183 8.070 193 3HG2 THR 30 3HG2 THR 30 13.713 2.956 9.834 194 H ALA 31 H ALA 31 13.771 0.865 10.654 195 HA ALA 31 HA ALA 31 11.962 -0.873 9.544 196 1HB ALA 31 1HB ALA 31 10.689 -0.420 11.428 197 2HB ALA 31 2HB ALA 31 12.275 0.194 11.955 198 3HB ALA 31 3HB ALA 31 11.030 1.326 11.372 199 H TYR 32 H TYR 32 9.881 -0.596 8.529 200 HA TYR 32 HA TYR 32 9.244 2.048 7.534 201 1HB TYR 32 1HB TYR 32 10.598 -0.145 6.075 202 2HB TYR 32 2HB TYR 32 9.063 0.266 5.300 203 HD1 TYR 32 1HD TYR 32 9.227 3.280 6.131 204 HD2 TYR 32 2HD TYR 32 11.971 0.600 4.236 205 HE1 TYR 32 1HE TYR 32 10.357 5.243 4.977 206 HE2 TYR 32 2HE TYR 32 13.092 2.572 3.088 207 HH TYR 32 HH TYR 32 12.119 5.884 3.834 208 H ASP 33 H ASP 33 7.389 1.688 8.954 209 HA ASP 33 HA ASP 33 5.780 -0.462 8.959 210 1HB ASP 33 1HB ASP 33 5.693 2.117 9.956 211 2HB ASP 33 2HB ASP 33 4.300 2.114 8.864 212 HD2 ASP 33 HD2 ASP 33 2.429 0.553 11.241 213 H VAL 34 H VAL 34 4.675 -1.497 7.293 214 HA VAL 34 HA VAL 34 4.462 -0.343 4.736 215 HB VAL 34 HB VAL 34 3.005 -2.725 5.895 216 1HG1 VAL 34 1HG1 VAL 34 2.895 -3.529 3.605 217 2HG1 VAL 34 2HG1 VAL 34 2.159 -1.912 3.708 218 3HG1 VAL 34 3HG1 VAL 34 3.793 -2.105 3.028 219 1HG2 VAL 34 1HG2 VAL 34 4.877 -3.977 5.793 220 2HG2 VAL 34 2HG2 VAL 34 5.443 -3.192 4.299 221 3HG2 VAL 34 3HG2 VAL 34 5.727 -2.415 5.875 222 H GLY 35 H GLY 35 2.538 0.281 3.555 223 1HA GLY 35 1HA GLY 35 0.182 0.870 5.208 224 2HA GLY 35 2HA GLY 35 0.992 2.191 4.390 225 H GLN 36 H GLN 36 -1.738 0.691 4.064 226 HA GLN 36 HA GLN 36 -1.436 0.358 1.184 227 1HB GLN 36 1HB GLN 36 -2.695 -1.425 3.208 228 2HB GLN 36 2HB GLN 36 -3.609 -1.210 1.705 229 1HG GLN 36 1HG GLN 36 -0.929 -1.576 0.900 230 2HG GLN 36 2HG GLN 36 -1.168 -2.748 2.203 231 1HE2 GLN 36 1HE2 GLN 36 -3.007 -1.382 -0.532 232 2HE2 GLN 36 2HE2 GLN 36 -3.598 -2.881 -1.168 233 H CYS 37 H CYS 37 -2.626 1.823 0.043 234 HA CYS 37 HA CYS 37 -5.127 2.724 1.235 235 1HB CYS 37 1HB CYS 37 -3.181 4.646 -0.014 236 2HB CYS 37 2HB CYS 37 -4.691 5.023 0.834 237 H ALA 38 H ALA 38 -6.294 4.148 -0.623 238 HA ALA 38 HA ALA 38 -5.627 3.076 -3.253 239 1HB ALA 38 1HB ALA 38 -7.582 1.926 -3.531 240 2HB ALA 38 2HB ALA 38 -7.513 1.812 -1.756 241 3HB ALA 38 3HB ALA 38 -8.516 3.062 -2.529 242 H TRP 39 H TRP 39 -5.207 4.938 -4.348 243 HA TRP 39 HA TRP 39 -6.685 7.330 -3.667 244 1HB TRP 39 1HB TRP 39 -5.083 8.502 -4.794 245 2HB TRP 39 2HB TRP 39 -4.161 7.135 -4.163 246 HD1 TRP 39 HD TRP 39 -3.213 5.372 -6.003 247 HE1 TRP 39 1HE TRP 39 -2.847 5.424 -8.615 248 HE3 TRP 39 3HE TRP 39 -6.150 9.433 -6.863 249 HZ2 TRP 39 2HZ TRP 39 -3.806 7.118 -10.702 250 HZ3 TRP 39 3HZ TRP 39 -6.382 10.221 -9.216 251 HH2 TRP 39 HH TRP 39 -5.268 9.133 -11.100 252 H VAL 40 H VAL 40 -8.555 7.897 -4.697 253 HA VAL 40 HA VAL 40 -9.096 6.561 -7.259 254 HB VAL 40 HB VAL 40 -11.010 7.632 -5.176 255 1HG1 VAL 40 1HG1 VAL 40 -11.722 5.874 -7.527 256 2HG1 VAL 40 2HG1 VAL 40 -12.791 6.859 -6.498 257 3HG1 VAL 40 3HG1 VAL 40 -11.700 7.649 -7.662 258 1HG2 VAL 40 1HG2 VAL 40 -9.973 4.861 -5.768 259 2HG2 VAL 40 2HG2 VAL 40 -10.112 5.703 -4.205 260 3HG2 VAL 40 3HG2 VAL 40 -11.573 5.105 -5.029 261 H ASP 41 H ASP 41 -8.744 9.599 -5.492 262 HA ASP 41 HA ASP 41 -8.399 11.037 -7.810 263 1HB ASP 41 1HB ASP 41 -11.021 10.582 -7.664 264 2HB ASP 41 2HB ASP 41 -10.976 11.913 -6.498 265 HD2 ASP 41 HD2 ASP 41 -11.319 14.027 -9.156 266 H THR 42 H THR 42 -6.751 11.081 -5.785 267 HA THR 42 HA THR 42 -5.792 12.213 -4.126 268 HB THR 42 HB THR 42 -7.416 14.321 -5.595 269 HG1 THR 42 1HG THR 42 -4.577 13.863 -5.020 270 1HG2 THR 42 1HG2 THR 42 -5.830 15.954 -4.321 271 2HG2 THR 42 2HG2 THR 42 -7.269 15.385 -3.441 272 3HG2 THR 42 3HG2 THR 42 -5.678 14.659 -3.109 273 H GLY 43 H GLY 43 -8.825 14.108 -3.869 274 1HA GLY 43 1HA GLY 43 -8.967 13.762 -1.081 275 2HA GLY 43 2HA GLY 43 -10.222 14.390 -2.130 276 H VAL 44 H VAL 44 -9.722 11.598 -3.675 277 HA VAL 44 HA VAL 44 -11.647 10.169 -1.985 278 HB VAL 44 HB VAL 44 -11.064 9.755 -4.918 279 1HG1 VAL 44 1HG1 VAL 44 -12.938 8.397 -4.985 280 2HG1 VAL 44 2HG1 VAL 44 -12.283 8.017 -3.375 281 3HG1 VAL 44 3HG1 VAL 44 -13.659 9.134 -3.533 282 1HG2 VAL 44 1HG2 VAL 44 -11.783 12.057 -4.656 283 2HG2 VAL 44 2HG2 VAL 44 -13.108 11.099 -5.358 284 3HG2 VAL 44 3HG2 VAL 44 -13.152 11.550 -3.637 285 H LEU 45 H LEU 45 -8.988 10.104 -1.130 286 HA LEU 45 HA LEU 45 -7.998 7.544 -2.147 287 1HB LEU 45 1HB LEU 45 -6.389 9.253 -2.308 288 2HB LEU 45 2HB LEU 45 -6.689 9.809 -0.652 289 HG LEU 45 HG LEU 45 -5.776 7.004 -0.939 290 1HD1 LEU 45 1HD1 LEU 45 -4.497 8.684 -2.611 291 2HD1 LEU 45 2HD1 LEU 45 -3.566 8.973 -1.121 292 3HD1 LEU 45 3HD1 LEU 45 -3.704 7.324 -1.780 293 1HD2 LEU 45 1HD2 LEU 45 -5.589 7.389 1.243 294 2HD2 LEU 45 2HD2 LEU 45 -4.161 8.381 0.862 295 3HD2 LEU 45 3HD2 LEU 45 -5.760 9.147 1.026 296 H ALA 46 H ALA 46 -8.743 5.803 -1.063 297 HA ALA 46 HA ALA 46 -9.502 6.152 1.725 298 1HB ALA 46 1HB ALA 46 -9.794 3.523 0.363 299 2HB ALA 46 2HB ALA 46 -10.957 4.433 1.356 300 3HB ALA 46 3HB ALA 46 -10.712 4.870 -0.351 301 H CYS 47 H CYS 47 -7.715 6.118 3.046 302 HA CYS 47 HA CYS 47 -5.555 4.332 2.426 303 1HB CYS 47 1HB CYS 47 -5.999 6.650 4.114 304 2HB CYS 47 2HB CYS 47 -5.085 5.381 4.949 305 H ASN 48 H ASN 48 -4.906 2.542 3.809 306 HA ASN 48 HA ASN 48 -7.127 1.594 5.439 307 1HB ASN 48 1HB ASN 48 -6.462 0.212 3.415 308 2HB ASN 48 2HB ASN 48 -4.877 -0.047 4.161 309 1HD2 ASN 48 1HD2 ASN 48 -5.348 -2.289 4.077 310 2HD2 ASN 48 2HD2 ASN 48 -6.346 -3.051 5.270 311 HA PRO 49 HA PRO 49 -3.730 2.335 8.339 312 1HB PRO 49 1HB PRO 49 -5.265 3.226 10.414 313 2HB PRO 49 2HB PRO 49 -4.553 4.300 9.211 314 1HG PRO 49 1HG PRO 49 -7.333 3.357 9.502 315 2HG PRO 49 2HG PRO 49 -6.722 4.791 8.600 316 1HD PRO 49 1HD PRO 49 -7.615 2.281 7.554 317 2HD PRO 49 2HD PRO 49 -6.873 3.600 6.640 318 H ALA 50 H ALA 50 -5.025 -0.168 7.670 319 HA ALA 50 HA ALA 50 -4.801 -1.345 10.353 320 1HB ALA 50 1HB ALA 50 -6.585 -2.658 8.359 321 2HB ALA 50 2HB ALA 50 -6.769 -2.486 10.121 322 3HB ALA 50 3HB ALA 50 -7.170 -1.125 9.047 323 H ASP 51 H ASP 51 -3.362 -0.931 7.415 324 HA ASP 51 HA ASP 51 -2.881 -3.364 6.372 325 1HB ASP 51 1HB ASP 51 -0.465 -2.323 5.989 326 2HB ASP 51 2HB ASP 51 -1.880 -1.640 5.173 327 HD2 ASP 51 HD2 ASP 51 -1.446 1.388 6.704 328 H PHE 52 H PHE 52 -1.077 -1.657 9.035 329 HA PHE 52 HA PHE 52 0.100 -2.419 10.740 330 1HB PHE 52 1HB PHE 52 -0.826 -5.190 9.791 331 2HB PHE 52 2HB PHE 52 -0.218 -4.816 11.406 332 HD1 PHE 52 1HD PHE 52 -1.758 -2.181 11.705 333 HD2 PHE 52 2HD PHE 52 -2.935 -6.053 10.429 334 HE1 PHE 52 1HE PHE 52 -4.106 -1.718 12.463 335 HE2 PHE 52 2HE PHE 52 -5.282 -5.589 11.186 336 HZ PHE 52 HZ PHE 52 -5.839 -3.427 12.195 337 H SER 53 H SER 53 0.344 -4.619 7.869 338 HA SER 53 HA SER 53 2.578 -5.846 8.069 339 1HB SER 53 1HB SER 53 1.568 -4.136 5.813 340 2HB SER 53 2HB SER 53 3.154 -4.908 5.635 341 HG SER 53 HG SER 53 1.216 -6.653 6.604 342 H SER 54 H SER 54 4.870 -5.529 8.069 343 HA SER 54 HA SER 54 5.756 -2.775 8.053 344 1HB SER 54 1HB SER 54 7.137 -3.178 10.100 345 2HB SER 54 2HB SER 54 5.395 -3.210 10.422 346 HG SER 54 HG SER 54 5.709 -5.154 11.242 347 H VAL 55 H VAL 55 7.828 -2.538 7.141 348 HA VAL 55 HA VAL 55 9.404 -4.962 6.767 349 HB VAL 55 HB VAL 55 8.160 -3.282 4.624 350 1HG1 VAL 55 1HG1 VAL 55 10.756 -4.826 4.309 351 2HG1 VAL 55 2HG1 VAL 55 9.818 -4.075 2.996 352 3HG1 VAL 55 3HG1 VAL 55 10.575 -3.056 4.244 353 1HG2 VAL 55 1HG2 VAL 55 7.967 -5.550 3.540 354 2HG2 VAL 55 2HG2 VAL 55 8.620 -6.249 5.041 355 3HG2 VAL 55 3HG2 VAL 55 7.074 -5.369 5.069 356 H THR 56 H THR 56 11.653 -4.355 5.894 357 HA THR 56 HA THR 56 12.379 -1.689 6.917 358 HB THR 56 HB THR 56 13.586 -4.448 7.342 359 HG1 THR 56 1HG THR 56 12.725 -3.828 9.282 360 1HG2 THR 56 1HG2 THR 56 15.468 -3.070 8.508 361 2HG2 THR 56 2HG2 THR 56 15.574 -3.233 6.739 362 3HG2 THR 56 3HG2 THR 56 14.959 -1.725 7.459 363 H ALA 57 H ALA 57 14.255 -0.680 5.927 364 HA ALA 57 HA ALA 57 14.229 -1.179 3.089 365 1HB ALA 57 1HB ALA 57 15.160 0.956 4.968 366 2HB ALA 57 2HB ALA 57 15.994 0.828 3.401 367 3HB ALA 57 3HB ALA 57 14.234 1.090 3.453 368 H ASP 58 H ASP 58 16.647 -0.805 2.081 369 HA ASP 58 HA ASP 58 18.395 -2.612 3.547 370 1HB ASP 58 1HB ASP 58 19.091 -3.468 1.215 371 2HB ASP 58 2HB ASP 58 17.527 -4.021 1.836 372 HD2 ASP 58 HD2 ASP 58 16.503 -3.136 -1.349 373 H ALA 59 H ALA 59 20.428 -1.658 3.787 374 HA ALA 59 HA ALA 59 21.798 0.166 3.707 375 1HB ALA 59 1HB ALA 59 23.278 -1.166 2.616 376 2HB ALA 59 2HB ALA 59 22.066 -1.702 1.427 377 3HB ALA 59 3HB ALA 59 22.902 -0.146 1.207 378 H ASN 60 H ASN 60 21.060 0.187 0.192 379 HA ASN 60 HA ASN 60 21.138 2.753 -0.258 380 1HB ASN 60 1HB ASN 60 19.841 0.505 -1.478 381 2HB ASN 60 2HB ASN 60 18.689 1.847 -1.541 382 1HD2 ASN 60 1HD2 ASN 60 20.062 0.556 -3.711 383 2HD2 ASN 60 2HD2 ASN 60 21.025 1.745 -4.525 384 H GLY 61 H GLY 61 18.253 0.980 1.057 385 1HA GLY 61 1HA GLY 61 17.154 2.230 2.916 386 2HA GLY 61 2HA GLY 61 17.069 3.585 1.809 387 H SER 62 H SER 62 16.793 0.818 -0.091 388 HA SER 62 HA SER 62 13.956 1.234 -0.267 389 1HB SER 62 1HB SER 62 16.015 -0.227 -1.931 390 2HB SER 62 2HB SER 62 14.285 -0.486 -2.217 391 HG SER 62 HG SER 62 14.501 1.243 -3.475 392 H ALA 63 H ALA 63 12.365 -0.413 0.083 393 HA ALA 63 HA ALA 63 13.074 -2.316 2.061 394 1HB ALA 63 1HB ALA 63 10.803 -2.528 2.322 395 2HB ALA 63 2HB ALA 63 10.813 -0.990 1.425 396 3HB ALA 63 3HB ALA 63 10.492 -2.518 0.570 397 H SER 64 H SER 64 12.166 -4.707 1.711 398 HA SER 64 HA SER 64 12.193 -5.796 -0.811 399 1HB SER 64 1HB SER 64 14.427 -6.989 -0.720 400 2HB SER 64 2HB SER 64 14.526 -5.249 -1.043 401 HG SER 64 HG SER 64 14.613 -5.944 1.678 402 H THR 65 H THR 65 10.699 -7.340 -0.218 403 HA THR 65 HA THR 65 11.400 -9.593 1.207 404 HB THR 65 HB THR 65 11.546 -8.070 3.180 405 HG1 THR 65 1HG THR 65 10.156 -9.471 4.389 406 1HG2 THR 65 1HG2 THR 65 8.660 -7.697 3.492 407 2HG2 THR 65 2HG2 THR 65 9.959 -6.487 3.630 408 3HG2 THR 65 3HG2 THR 65 9.240 -6.844 2.041 409 H SER 66 H SER 66 8.525 -9.422 2.546 410 HA SER 66 HA SER 66 7.105 -9.785 0.029 411 1HB SER 66 1HB SER 66 6.842 -11.550 2.497 412 2HB SER 66 2HB SER 66 5.952 -11.749 0.977 413 HG SER 66 HG SER 66 8.052 -12.095 -0.072 414 H LEU 67 H LEU 67 5.106 -8.762 -0.041 415 HA LEU 67 HA LEU 67 4.047 -7.813 2.528 416 1HB LEU 67 1HB LEU 67 4.844 -6.326 0.138 417 2HB LEU 67 2HB LEU 67 3.222 -5.930 0.730 418 HG LEU 67 HG LEU 67 5.890 -5.594 2.087 419 1HD1 LEU 67 1HD1 LEU 67 5.220 -3.303 2.328 420 2HD1 LEU 67 2HD1 LEU 67 4.966 -3.789 0.635 421 3HD1 LEU 67 3HD1 LEU 67 3.579 -3.667 1.743 422 1HD2 LEU 67 1HD2 LEU 67 4.857 -6.482 3.919 423 2HD2 LEU 67 2HD2 LEU 67 4.315 -4.792 4.060 424 3HD2 LEU 67 3HD2 LEU 67 3.228 -6.021 3.371 425 H THR 68 H THR 68 1.714 -7.626 2.632 426 HA THR 68 HA THR 68 0.444 -9.598 0.914 427 HB THR 68 HB THR 68 0.204 -9.679 3.407 428 HG1 THR 68 1HG THR 68 -2.046 -8.881 1.709 429 1HG2 THR 68 1HG2 THR 68 -0.303 -7.810 4.616 430 2HG2 THR 68 2HG2 THR 68 -0.233 -6.850 3.117 431 3HG2 THR 68 3HG2 THR 68 -1.774 -7.569 3.644 432 H VAL 69 H VAL 69 -0.078 -8.847 -1.069 433 HA VAL 69 HA VAL 69 -0.850 -6.156 -1.488 434 HB VAL 69 HB VAL 69 -1.272 -8.562 -3.268 435 1HG1 VAL 69 1HG1 VAL 69 -1.464 -5.614 -3.623 436 2HG1 VAL 69 2HG1 VAL 69 -0.684 -6.527 -4.936 437 3HG1 VAL 69 3HG1 VAL 69 -2.343 -6.931 -4.435 438 1HG2 VAL 69 1HG2 VAL 69 0.918 -8.373 -4.080 439 2HG2 VAL 69 2HG2 VAL 69 1.153 -6.765 -3.353 440 3HG2 VAL 69 3HG2 VAL 69 1.106 -8.212 -2.317 441 H ARG 70 H ARG 70 -2.450 -6.379 0.474 442 HA ARG 70 HA ARG 70 -4.751 -7.816 0.244 443 1HB ARG 70 1HB ARG 70 -4.436 -5.027 1.444 444 2HB ARG 70 2HB ARG 70 -5.711 -6.185 1.856 445 1HG ARG 70 1HG ARG 70 -4.328 -7.414 3.193 446 2HG ARG 70 2HG ARG 70 -2.935 -7.231 2.109 447 1HD ARG 70 1HD ARG 70 -3.858 -4.765 3.529 448 2HD ARG 70 2HD ARG 70 -3.120 -6.013 4.546 449 HE ARG 70 HE ARG 70 -1.653 -5.277 2.081 450 1HH1 ARG 70 1HH1 ARG 70 -1.997 -4.873 5.560 451 2HH1 ARG 70 2HH1 ARG 70 -0.396 -4.246 5.774 452 1HH2 ARG 70 1HH2 ARG 70 0.459 -4.450 2.363 453 2HH2 ARG 70 2HH2 ARG 70 1.010 -4.004 3.944 454 H ARG 71 H ARG 71 -6.879 -7.349 -0.595 455 HA ARG 71 HA ARG 71 -6.867 -5.139 -2.491 456 1HB ARG 71 1HB ARG 71 -6.944 -7.233 -3.700 457 2HB ARG 71 2HB ARG 71 -8.208 -7.879 -2.641 458 1HG ARG 71 1HG ARG 71 -9.660 -5.911 -3.454 459 2HG ARG 71 2HG ARG 71 -8.436 -5.657 -4.711 460 1HD ARG 71 1HD ARG 71 -9.390 -7.284 -5.947 461 2HD ARG 71 2HD ARG 71 -9.077 -8.461 -4.665 462 HE ARG 71 HE ARG 71 -11.385 -6.855 -4.019 463 1HH1 ARG 71 1HH1 ARG 71 -10.357 -9.485 -6.120 464 2HH1 ARG 71 2HH1 ARG 71 -11.943 -10.170 -6.252 465 1HH2 ARG 71 1HH2 ARG 71 -13.476 -7.758 -4.193 466 2HH2 ARG 71 2HH2 ARG 71 -13.729 -9.180 -5.149 467 H SER 72 H SER 72 -9.394 -7.362 -1.104 468 HA SER 72 HA SER 72 -11.258 -5.294 -0.923 469 1HB SER 72 1HB SER 72 -11.796 -7.724 -1.140 470 2HB SER 72 2HB SER 72 -11.245 -7.979 0.526 471 HG SER 72 HG SER 72 -12.945 -6.617 1.266 472 H PHE 73 H PHE 73 -11.191 -3.611 0.518 473 HA PHE 73 HA PHE 73 -10.794 -4.189 3.299 474 1HB PHE 73 1HB PHE 73 -8.761 -2.970 3.537 475 2HB PHE 73 2HB PHE 73 -8.494 -3.795 1.998 476 HD1 PHE 73 1HD PHE 73 -9.384 -2.403 -0.103 477 HD2 PHE 73 2HD PHE 73 -8.290 -0.731 3.641 478 HE1 PHE 73 1HE PHE 73 -8.994 -0.183 -1.208 479 HE2 PHE 73 2HE PHE 73 -7.900 1.489 2.536 480 HZ PHE 73 HZ PHE 73 -8.256 1.736 0.125 481 H GLU 74 H GLU 74 -10.779 -1.899 4.534 482 HA GLU 74 HA GLU 74 -12.593 -0.147 3.076 483 1HB GLU 74 1HB GLU 74 -13.576 0.179 5.545 484 2HB GLU 74 2HB GLU 74 -14.183 -1.086 4.461 485 1HG GLU 74 1HG GLU 74 -13.019 -2.783 5.596 486 2HG GLU 74 2HG GLU 74 -11.840 -1.662 6.292 487 HE2 GLU 74 HE2 GLU 74 -13.922 -0.922 8.970 488 H GLY 75 H GLY 75 -11.032 1.453 2.675 489 1HA GLY 75 1HA GLY 75 -9.426 2.416 4.924 490 2HA GLY 75 2HA GLY 75 -9.234 2.815 3.227 491 H PHE 76 H PHE 76 -9.108 4.989 4.717 492 HA PHE 76 HA PHE 76 -11.825 6.094 4.783 493 1HB PHE 76 1HB PHE 76 -10.742 7.738 6.365 494 2HB PHE 76 2HB PHE 76 -10.557 6.078 6.941 495 HD1 PHE 76 1HD PHE 76 -8.359 4.966 6.775 496 HD2 PHE 76 2HD PHE 76 -8.859 9.045 5.719 497 HE1 PHE 76 1HE PHE 76 -5.875 5.302 6.899 498 HE2 PHE 76 2HE PHE 76 -6.375 9.382 5.842 499 HZ PHE 76 HZ PHE 76 -4.913 7.506 6.430 500 H LEU 77 H LEU 77 -12.346 7.793 3.454 501 HA LEU 77 HA LEU 77 -10.738 8.411 1.294 502 1HB LEU 77 1HB LEU 77 -13.208 9.462 2.527 503 2HB LEU 77 2HB LEU 77 -12.363 10.547 1.408 504 HG LEU 77 HG LEU 77 -12.468 8.088 0.080 505 1HD1 LEU 77 1HD1 LEU 77 -14.141 7.451 1.899 506 2HD1 LEU 77 2HD1 LEU 77 -15.237 8.637 1.151 507 3HD1 LEU 77 3HD1 LEU 77 -14.657 7.243 0.209 508 1HD2 LEU 77 1HD2 LEU 77 -14.604 10.072 -0.484 509 2HD2 LEU 77 2HD2 LEU 77 -12.926 10.663 -0.522 510 3HD2 LEU 77 3HD2 LEU 77 -13.418 9.312 -1.571 511 H PHE 78 H PHE 78 -11.236 10.188 4.409 512 HA PHE 78 HA PHE 78 -9.758 11.437 5.527 513 1HB PHE 78 1HB PHE 78 -8.081 10.076 3.904 514 2HB PHE 78 2HB PHE 78 -7.958 11.632 3.076 515 HD1 PHE 78 1HD PHE 78 -5.771 12.298 3.550 516 HD2 PHE 78 2HD PHE 78 -8.261 10.980 6.724 517 HE1 PHE 78 1HE PHE 78 -4.038 13.028 5.214 518 HE2 PHE 78 2HE PHE 78 -6.528 11.710 8.386 519 HZ PHE 78 HZ PHE 78 -4.437 12.725 7.611 520 H ASP 79 H ASP 79 -11.763 12.194 3.211 521 HA ASP 79 HA ASP 79 -11.317 14.981 3.537 522 1HB ASP 79 1HB ASP 79 -10.104 13.887 1.335 523 2HB ASP 79 2HB ASP 79 -11.697 14.269 0.661 524 HD2 ASP 79 HD2 ASP 79 -10.390 17.371 0.032 525 H GLY 80 H GLY 80 -13.299 12.752 4.103 526 1HA GLY 80 1HA GLY 80 -15.687 14.120 3.446 527 2HA GLY 80 2HA GLY 80 -15.478 12.750 2.374 528 H THR 81 H THR 81 -14.573 10.660 3.697 529 HA THR 81 HA THR 81 -15.232 10.300 6.355 530 HB THR 81 HB THR 81 -17.559 10.497 4.597 531 HG1 THR 81 1HG THR 81 -17.111 11.283 6.856 532 1HG2 THR 81 1HG2 THR 81 -18.699 8.467 5.094 533 2HG2 THR 81 2HG2 THR 81 -17.079 7.898 4.626 534 3HG2 THR 81 3HG2 THR 81 -17.521 8.009 6.346 535 H ARG 82 H ARG 82 -15.696 7.807 6.785 536 HA ARG 82 HA ARG 82 -13.523 6.539 5.549 537 1HB ARG 82 1HB ARG 82 -14.187 6.091 7.888 538 2HB ARG 82 2HB ARG 82 -15.732 5.412 7.344 539 1HG ARG 82 1HG ARG 82 -13.714 4.050 5.887 540 2HG ARG 82 2HG ARG 82 -13.121 4.133 7.556 541 1HD ARG 82 1HD ARG 82 -15.963 3.468 7.485 542 2HD ARG 82 2HD ARG 82 -15.035 2.326 6.500 543 HE ARG 82 HE ARG 82 -13.697 2.762 9.006 544 1HH1 ARG 82 1HH1 ARG 82 -16.537 1.172 7.670 545 2HH1 ARG 82 2HH1 ARG 82 -16.605 -0.034 8.913 546 1HH2 ARG 82 1HH2 ARG 82 -13.786 1.174 10.646 547 2HH2 ARG 82 2HH2 ARG 82 -15.030 -0.032 10.617 548 H TRP 83 H TRP 83 -13.503 5.346 3.661 549 HA TRP 83 HA TRP 83 -15.654 5.163 1.976 550 1HB TRP 83 1HB TRP 83 -12.967 4.060 2.152 551 2HB TRP 83 2HB TRP 83 -14.089 2.973 1.332 552 HD1 TRP 83 HD TRP 83 -11.999 6.005 0.687 553 HE1 TRP 83 1HE TRP 83 -12.423 7.061 -1.694 554 HE3 TRP 83 3HE TRP 83 -16.225 3.360 -0.314 555 HZ2 TRP 83 2HZ TRP 83 -14.432 6.679 -3.684 556 HZ3 TRP 83 3HZ TRP 83 -17.357 3.762 -2.498 557 HH2 TRP 83 HH TRP 83 -16.526 5.355 -4.155 558 H GLY 84 H GLY 84 -14.222 2.101 3.203 559 1HA GLY 84 1HA GLY 84 -15.338 0.628 4.703 560 2HA GLY 84 2HA GLY 84 -16.879 1.297 4.203 561 H THR 85 H THR 85 -16.046 -1.539 4.189 562 HA THR 85 HA THR 85 -15.388 -3.131 2.536 563 HB THR 85 HB THR 85 -18.276 -2.352 2.881 564 HG1 THR 85 1HG THR 85 -18.084 -4.680 3.613 565 1HG2 THR 85 1HG2 THR 85 -18.546 -4.746 1.609 566 2HG2 THR 85 2HG2 THR 85 -18.754 -3.195 0.761 567 3HG2 THR 85 3HG2 THR 85 -17.207 -4.068 0.652 568 H VAL 86 H VAL 86 -13.952 -1.710 1.194 569 HA VAL 86 HA VAL 86 -15.271 -1.236 -1.390 570 HB VAL 86 HB VAL 86 -14.537 0.797 -0.047 571 1HG1 VAL 86 1HG1 VAL 86 -12.451 0.083 0.863 572 2HG1 VAL 86 2HG1 VAL 86 -11.821 -0.355 -0.743 573 3HG1 VAL 86 3HG1 VAL 86 -12.083 1.355 -0.326 574 1HG2 VAL 86 1HG2 VAL 86 -13.004 1.185 -2.462 575 2HG2 VAL 86 2HG2 VAL 86 -14.456 0.216 -2.811 576 3HG2 VAL 86 3HG2 VAL 86 -14.615 1.809 -2.033 577 H ASP 87 H ASP 87 -14.408 -2.293 -3.131 578 HA ASP 87 HA ASP 87 -12.363 -4.179 -2.550 579 1HB ASP 87 1HB ASP 87 -13.163 -3.706 -5.378 580 2HB ASP 87 2HB ASP 87 -13.066 -5.229 -4.481 581 HD2 ASP 87 HD2 ASP 87 -16.522 -3.353 -4.780 582 H CYS 88 H CYS 88 -10.195 -3.575 -2.656 583 HA CYS 88 HA CYS 88 -9.219 -1.216 -3.492 584 1HB CYS 88 1HB CYS 88 -8.098 -3.921 -3.140 585 2HB CYS 88 2HB CYS 88 -7.110 -2.793 -4.088 586 H THR 89 H THR 89 -9.693 -4.239 -5.435 587 HA THR 89 HA THR 89 -8.565 -3.397 -7.807 588 HB THR 89 HB THR 89 -9.423 -5.712 -7.134 589 HG1 THR 89 1HG THR 89 -10.492 -4.494 -9.581 590 1HG2 THR 89 1HG2 THR 89 -11.735 -6.265 -7.500 591 2HG2 THR 89 2HG2 THR 89 -11.784 -4.794 -6.500 592 3HG2 THR 89 3HG2 THR 89 -12.070 -4.688 -8.254 593 H THR 90 H THR 90 -11.691 -2.524 -6.346 594 HA THR 90 HA THR 90 -12.761 -1.389 -8.718 595 HB THR 90 HB THR 90 -13.395 -0.946 -5.752 596 HG1 THR 90 1HG THR 90 -14.484 -2.657 -7.875 597 1HG2 THR 90 1HG2 THR 90 -15.428 0.002 -6.411 598 2HG2 THR 90 2HG2 THR 90 -14.410 0.578 -7.754 599 3HG2 THR 90 3HG2 THR 90 -15.436 -0.861 -7.969 600 H ALA 91 H ALA 91 -10.419 -0.316 -6.326 601 HA ALA 91 HA ALA 91 -10.382 2.272 -7.714 602 1HB ALA 91 1HB ALA 91 -9.432 2.752 -5.133 603 2HB ALA 91 2HB ALA 91 -11.036 3.198 -5.763 604 3HB ALA 91 3HB ALA 91 -10.822 1.668 -4.879 605 H ALA 92 H ALA 92 -8.925 -0.377 -8.051 606 HA ALA 92 HA ALA 92 -6.805 -1.210 -7.872 607 1HB ALA 92 1HB ALA 92 -6.024 1.328 -9.283 608 2HB ALA 92 2HB ALA 92 -5.682 -0.365 -9.714 609 3HB ALA 92 3HB ALA 92 -7.304 0.313 -9.991 610 H CYS 93 H CYS 93 -7.101 -0.426 -5.365 611 HA CYS 93 HA CYS 93 -5.746 1.738 -4.416 612 1HB CYS 93 1HB CYS 93 -5.860 0.786 -2.349 613 2HB CYS 93 2HB CYS 93 -7.163 -0.056 -3.208 614 H GLN 94 H GLN 94 -3.589 1.231 -2.891 615 HA GLN 94 HA GLN 94 -1.720 -0.252 -4.543 616 1HB GLN 94 1HB GLN 94 -0.050 1.625 -4.232 617 2HB GLN 94 2HB GLN 94 -1.399 2.007 -5.316 618 1HG GLN 94 1HG GLN 94 -1.341 2.723 -2.355 619 2HG GLN 94 2HG GLN 94 -0.805 3.829 -3.630 620 1HE2 GLN 94 1HE2 GLN 94 -2.813 4.502 -1.902 621 2HE2 GLN 94 2HE2 GLN 94 -4.337 4.574 -2.722 622 H VAL 95 H VAL 95 0.351 -0.756 -3.350 623 HA VAL 95 HA VAL 95 0.009 -0.582 -0.446 624 HB VAL 95 HB VAL 95 -0.816 -2.758 -1.221 625 1HG1 VAL 95 1HG1 VAL 95 1.211 -2.629 -3.097 626 2HG1 VAL 95 2HG1 VAL 95 1.807 -3.852 -1.949 627 3HG1 VAL 95 3HG1 VAL 95 0.219 -4.059 -2.728 628 1HG2 VAL 95 1HG2 VAL 95 1.004 -2.248 0.829 629 2HG2 VAL 95 2HG2 VAL 95 -0.032 -3.686 0.659 630 3HG2 VAL 95 3HG2 VAL 95 1.636 -3.713 0.038 631 H GLY 96 H GLY 96 1.693 0.635 0.240 632 1HA GLY 96 1HA GLY 96 4.346 0.025 -0.908 633 2HA GLY 96 2HA GLY 96 3.787 1.675 -0.723 634 H LEU 97 H LEU 97 5.710 1.962 0.694 635 HA LEU 97 HA LEU 97 5.226 0.842 3.366 636 1HB LEU 97 1HB LEU 97 7.586 0.983 1.701 637 2HB LEU 97 2HB LEU 97 7.852 1.757 3.272 638 HG LEU 97 HG LEU 97 7.338 -0.269 4.435 639 1HD1 LEU 97 1HD1 LEU 97 6.186 -1.111 1.819 640 2HD1 LEU 97 2HD1 LEU 97 6.923 -2.365 2.845 641 3HD1 LEU 97 3HD1 LEU 97 5.592 -1.367 3.478 642 1HD2 LEU 97 1HD2 LEU 97 9.545 0.049 2.864 643 2HD2 LEU 97 2HD2 LEU 97 9.314 -1.256 4.051 644 3HD2 LEU 97 3HD2 LEU 97 8.957 -1.543 2.331 645 H SER 98 H SER 98 5.817 2.302 5.195 646 HA SER 98 HA SER 98 5.926 5.084 4.485 647 1HB SER 98 1HB SER 98 3.457 3.819 5.184 648 2HB SER 98 2HB SER 98 3.919 4.859 6.543 649 HG SER 98 HG SER 98 2.615 5.899 4.817 650 H ASP 99 H ASP 99 6.906 6.350 6.142 651 HA ASP 99 HA ASP 99 8.256 4.783 8.098 652 1HB ASP 99 1HB ASP 99 8.377 7.747 8.282 653 2HB ASP 99 2HB ASP 99 9.700 6.572 8.234 654 HD2 ASP 99 HD2 ASP 99 10.344 7.488 5.021 655 H ALA 100 H ALA 100 8.416 6.072 10.427 656 HA ALA 100 HA ALA 100 5.923 5.798 11.628 657 1HB ALA 100 1HB ALA 100 8.643 6.772 12.368 658 2HB ALA 100 2HB ALA 100 7.302 7.296 13.415 659 3HB ALA 100 3HB ALA 100 7.606 5.561 13.159 660 H ALA 101 H ALA 101 7.197 8.316 9.651 661 HA ALA 101 HA ALA 101 5.318 10.250 10.806 662 1HB ALA 101 1HB ALA 101 7.275 11.429 10.703 663 2HB ALA 101 2HB ALA 101 7.949 10.406 9.411 664 3HB ALA 101 3HB ALA 101 6.767 11.677 9.015 665 H GLY 102 H GLY 102 5.687 7.916 8.343 666 1HA GLY 102 1HA GLY 102 4.311 7.370 6.638 667 2HA GLY 102 2HA GLY 102 3.256 8.699 7.077 668 H ASN 103 H ASN 103 6.761 9.019 6.343 669 HA ASN 103 HA ASN 103 6.353 11.144 4.647 670 1HB ASN 103 1HB ASN 103 8.716 9.243 4.404 671 2HB ASN 103 2HB ASN 103 8.712 11.000 4.192 672 1HD2 ASN 103 1HD2 ASN 103 10.565 9.837 5.779 673 2HD2 ASN 103 2HD2 ASN 103 10.282 10.185 7.451 674 H GLY 104 H GLY 104 6.917 11.186 2.221 675 1HA GLY 104 1HA GLY 104 6.491 10.519 0.118 676 2HA GLY 104 2HA GLY 104 7.126 8.958 0.600 677 HA PRO 105 HA PRO 105 2.559 8.715 -0.180 678 1HB PRO 105 1HB PRO 105 2.506 7.701 -2.716 679 2HB PRO 105 2HB PRO 105 2.282 9.412 -2.357 680 1HG PRO 105 1HG PRO 105 4.635 7.992 -3.427 681 2HG PRO 105 2HG PRO 105 4.246 9.748 -3.519 682 1HD PRO 105 1HD PRO 105 6.149 8.430 -1.833 683 2HD PRO 105 2HD PRO 105 5.690 10.138 -1.773 684 H GLU 106 H GLU 106 1.531 6.517 -1.576 685 HA GLU 106 HA GLU 106 2.166 4.561 0.331 686 1HB GLU 106 1HB GLU 106 0.631 4.318 -2.286 687 2HB GLU 106 2HB GLU 106 0.602 3.134 -0.968 688 1HG GLU 106 1HG GLU 106 -1.287 4.346 -0.428 689 2HG GLU 106 2HG GLU 106 -0.092 5.306 0.459 690 HE2 GLU 106 HE2 GLU 106 -1.414 7.953 -1.327 691 H GLY 107 H GLY 107 1.838 2.772 -2.477 692 1HA GLY 107 1HA GLY 107 4.761 2.555 -2.869 693 2HA GLY 107 2HA GLY 107 3.738 1.149 -2.651 694 H VAL 108 H VAL 108 2.052 0.666 -4.276 695 HA VAL 108 HA VAL 108 2.132 2.183 -6.723 696 HB VAL 108 HB VAL 108 4.089 0.808 -7.009 697 1HG1 VAL 108 1HG1 VAL 108 2.404 -1.685 -6.716 698 2HG1 VAL 108 2HG1 VAL 108 4.176 -1.532 -6.761 699 3HG1 VAL 108 3HG1 VAL 108 3.270 -0.965 -5.338 700 1HG2 VAL 108 1HG2 VAL 108 3.564 -0.200 -9.104 701 2HG2 VAL 108 2HG2 VAL 108 1.866 -0.455 -8.636 702 3HG2 VAL 108 3HG2 VAL 108 2.474 1.194 -8.922 703 H ALA 109 H ALA 109 0.340 1.652 -8.124 704 HA ALA 109 HA ALA 109 -1.871 0.581 -6.635 705 1HB ALA 109 1HB ALA 109 -3.191 1.575 -8.289 706 2HB ALA 109 2HB ALA 109 -1.749 2.620 -8.290 707 3HB ALA 109 3HB ALA 109 -1.947 1.375 -9.546 708 H ILE 110 H ILE 110 -2.144 -1.587 -6.459 709 HA ILE 110 HA ILE 110 -1.215 -3.245 -8.675 710 HB ILE 110 HB ILE 110 -1.763 -3.702 -5.767 711 1HG1 ILE 110 1HG1 ILE 110 0.538 -4.986 -6.995 712 2HG1 ILE 110 2HG1 ILE 110 0.531 -3.235 -7.275 713 1HG2 ILE 110 1HG2 ILE 110 -2.372 -5.575 -7.896 714 2HG2 ILE 110 2HG2 ILE 110 -1.093 -6.198 -6.826 715 3HG2 ILE 110 3HG2 ILE 110 -2.660 -5.700 -6.144 716 1HD1 ILE 110 1HD1 ILE 110 1.598 -3.347 -5.204 717 2HD1 ILE 110 2HD1 ILE 110 -0.094 -3.166 -4.682 718 3HD1 ILE 110 3HD1 ILE 110 0.668 -4.774 -4.686 719 H SER 111 H SER 111 -2.588 -4.530 -9.899 720 HA SER 111 HA SER 111 -5.368 -3.810 -9.628 721 1HB SER 111 1HB SER 111 -3.582 -4.488 -11.797 722 2HB SER 111 2HB SER 111 -4.985 -5.572 -11.840 723 HG SER 111 HG SER 111 -5.519 -2.823 -11.400 724 H PHE 112 H PHE 112 -5.977 -5.077 -7.771 725 HA PHE 112 HA PHE 112 -5.363 -7.820 -7.583 726 1HB PHE 112 1HB PHE 112 -7.731 -6.279 -6.394 727 2HB PHE 112 2HB PHE 112 -6.907 -7.663 -5.669 728 HD1 PHE 112 1HD PHE 112 -6.703 -4.062 -6.362 729 HD2 PHE 112 2HD PHE 112 -4.854 -7.369 -4.450 730 HE1 PHE 112 1HE PHE 112 -5.223 -2.493 -5.079 731 HE2 PHE 112 2HE PHE 112 -3.374 -5.799 -3.167 732 HZ PHE 112 HZ PHE 112 -3.576 -3.379 -3.497 733 H ASN 113 H ASN 113 -6.229 -9.515 -8.674 734 HA ASN 113 HA ASN 113 -7.581 -10.726 -9.858 735 1HB ASN 113 1HB ASN 113 -9.292 -9.407 -7.934 736 2HB ASN 113 2HB ASN 113 -10.191 -9.566 -9.452 737 1HD2 ASN 113 1HD2 ASN 113 -11.570 -11.138 -8.881 738 2HD2 ASN 113 2HD2 ASN 113 -11.126 -12.756 -8.452 Start of MODEL 7 1 H ALA 1 H ALA 1 17.159 11.431 -3.853 2 HA ALA 1 HA ALA 1 15.546 10.451 -2.700 3 1HB ALA 1 1HB ALA 1 14.583 13.228 -3.049 4 2HB ALA 1 2HB ALA 1 13.304 12.044 -2.687 5 3HB ALA 1 3HB ALA 1 14.686 12.227 -1.580 6 H ALA 2 H ALA 2 14.123 8.804 -3.188 7 HA ALA 2 HA ALA 2 12.392 9.103 -5.489 8 1HB ALA 2 1HB ALA 2 13.618 6.586 -5.871 9 2HB ALA 2 2HB ALA 2 13.770 8.028 -6.902 10 3HB ALA 2 3HB ALA 2 14.950 7.734 -5.603 11 HA PRO 3 HA PRO 3 10.833 6.677 -1.954 12 1HB PRO 3 1HB PRO 3 8.779 8.320 -1.216 13 2HB PRO 3 2HB PRO 3 10.361 8.349 -0.441 14 1HG PRO 3 1HG PRO 3 9.178 10.203 -2.405 15 2HG PRO 3 2HG PRO 3 10.554 10.489 -1.279 16 1HD PRO 3 1HD PRO 3 10.632 10.004 -4.100 17 2HD PRO 3 2HD PRO 3 12.021 10.119 -3.011 18 H THR 4 H THR 4 10.122 4.934 -3.062 19 HA THR 4 HA THR 4 7.369 5.030 -3.807 20 HB THR 4 HB THR 4 8.064 4.314 -6.263 21 HG1 THR 4 1HG THR 4 10.148 5.206 -6.782 22 1HG2 THR 4 1HG2 THR 4 7.067 6.652 -5.364 23 2HG2 THR 4 2HG2 THR 4 8.709 7.221 -5.750 24 3HG2 THR 4 3HG2 THR 4 7.692 6.503 -7.023 25 H ALA 5 H ALA 5 6.452 3.040 -3.664 26 HA ALA 5 HA ALA 5 8.326 0.878 -3.051 27 1HB ALA 5 1HB ALA 5 5.367 1.296 -2.471 28 2HB ALA 5 2HB ALA 5 6.273 -0.179 -2.055 29 3HB ALA 5 3HB ALA 5 6.712 1.376 -1.308 30 H THR 6 H THR 6 7.553 -1.373 -3.797 31 HA THR 6 HA THR 6 5.971 -1.369 -6.212 32 HB THR 6 HB THR 6 7.723 -1.890 -7.724 33 HG1 THR 6 1HG THR 6 9.827 -2.582 -6.746 34 1HG2 THR 6 1HG2 THR 6 9.644 -0.344 -7.291 35 2HG2 THR 6 2HG2 THR 6 8.091 0.470 -6.987 36 3HG2 THR 6 3HG2 THR 6 9.073 -0.113 -5.622 37 H VAL 7 H VAL 7 5.460 -3.538 -6.960 38 HA VAL 7 HA VAL 7 6.020 -5.556 -4.903 39 HB VAL 7 HB VAL 7 3.388 -5.248 -6.345 40 1HG1 VAL 7 1HG1 VAL 7 2.767 -7.115 -5.283 41 2HG1 VAL 7 2HG1 VAL 7 4.476 -7.336 -4.841 42 3HG1 VAL 7 3HG1 VAL 7 3.368 -6.508 -3.721 43 1HG2 VAL 7 1HG2 VAL 7 3.929 -4.334 -3.509 44 2HG2 VAL 7 2HG2 VAL 7 3.980 -3.234 -4.907 45 3HG2 VAL 7 3HG2 VAL 7 2.469 -4.078 -4.494 46 H THR 8 H THR 8 6.428 -7.648 -5.666 47 HA THR 8 HA THR 8 7.712 -8.053 -7.961 48 HB THR 8 HB THR 8 6.126 -9.706 -6.063 49 HG1 THR 8 1HG THR 8 8.238 -10.912 -6.486 50 1HG2 THR 8 1HG2 THR 8 5.301 -10.554 -8.339 51 2HG2 THR 8 2HG2 THR 8 7.003 -10.878 -8.751 52 3HG2 THR 8 3HG2 THR 8 6.232 -11.747 -7.401 53 HA PRO 9 HA PRO 9 3.845 -8.861 -10.478 54 1HB PRO 9 1HB PRO 9 1.360 -8.677 -9.361 55 2HB PRO 9 2HB PRO 9 2.236 -10.199 -9.517 56 1HG PRO 9 1HG PRO 9 1.805 -8.492 -7.149 57 2HG PRO 9 2HG PRO 9 2.265 -10.231 -7.211 58 1HD PRO 9 1HD PRO 9 3.922 -7.973 -6.615 59 2HD PRO 9 2HD PRO 9 4.454 -9.647 -6.821 60 H SER 10 H SER 10 1.450 -7.587 -11.010 61 HA SER 10 HA SER 10 1.995 -4.826 -10.412 62 1HB SER 10 1HB SER 10 2.201 -4.076 -12.639 63 2HB SER 10 2HB SER 10 3.234 -5.515 -12.583 64 HG SER 10 HG SER 10 1.691 -6.690 -13.713 65 H SER 11 H SER 11 -0.023 -7.492 -11.529 66 HA SER 11 HA SER 11 -2.328 -6.206 -10.606 67 1HB SER 11 1HB SER 11 -3.582 -6.123 -12.757 68 2HB SER 11 2HB SER 11 -2.232 -4.973 -12.716 69 HG SER 11 HG SER 11 -0.983 -6.662 -13.894 70 H GLY 12 H GLY 12 -4.351 -7.663 -11.153 71 1HA GLY 12 1HA GLY 12 -5.310 -9.702 -11.378 72 2HA GLY 12 2HA GLY 12 -3.823 -10.329 -12.061 73 H LEU 13 H LEU 13 -3.675 -8.602 -8.977 74 HA LEU 13 HA LEU 13 -2.600 -10.902 -7.704 75 1HB LEU 13 1HB LEU 13 -3.476 -8.352 -6.381 76 2HB LEU 13 2HB LEU 13 -2.219 -9.487 -5.861 77 HG LEU 13 HG LEU 13 -2.148 -7.380 -7.996 78 1HD1 LEU 13 1HD1 LEU 13 -1.156 -6.485 -6.160 79 2HD1 LEU 13 2HD1 LEU 13 -0.649 -8.065 -5.517 80 3HD1 LEU 13 3HD1 LEU 13 0.262 -7.313 -6.848 81 1HD2 LEU 13 1HD2 LEU 13 -0.549 -8.360 -9.282 82 2HD2 LEU 13 2HD2 LEU 13 0.070 -9.369 -7.954 83 3HD2 LEU 13 3HD2 LEU 13 -1.437 -9.820 -8.787 84 H SER 14 H SER 14 -4.039 -10.033 -5.084 85 HA SER 14 HA SER 14 -6.717 -10.832 -5.540 86 1HB SER 14 1HB SER 14 -5.231 -12.987 -5.556 87 2HB SER 14 2HB SER 14 -5.134 -12.744 -3.803 88 HG SER 14 HG SER 14 -6.987 -13.827 -3.796 89 H ASP 15 H ASP 15 -7.947 -10.909 -3.387 90 HA ASP 15 HA ASP 15 -7.326 -8.711 -1.894 91 1HB ASP 15 1HB ASP 15 -9.561 -9.618 -1.904 92 2HB ASP 15 2HB ASP 15 -9.007 -11.176 -1.273 93 HD2 ASP 15 HD2 ASP 15 -10.418 -9.627 1.562 94 H GLY 16 H GLY 16 -5.125 -8.793 -1.099 95 1HA GLY 16 1HA GLY 16 -3.869 -9.101 0.845 96 2HA GLY 16 2HA GLY 16 -4.747 -10.574 1.200 97 H THR 17 H THR 17 -3.268 -9.594 -1.949 98 HA THR 17 HA THR 17 -2.015 -12.141 -2.208 99 HB THR 17 HB THR 17 -2.252 -9.563 -3.770 100 HG1 THR 17 1HG THR 17 -2.810 -11.457 -5.303 101 1HG2 THR 17 1HG2 THR 17 -0.853 -11.400 -5.400 102 2HG2 THR 17 2HG2 THR 17 -0.215 -9.859 -4.776 103 3HG2 THR 17 3HG2 THR 17 0.071 -11.370 -3.878 104 H VAL 18 H VAL 18 -0.750 -12.315 -0.264 105 HA VAL 18 HA VAL 18 1.300 -10.419 0.249 106 HB VAL 18 HB VAL 18 1.140 -13.269 1.223 107 1HG1 VAL 18 1HG1 VAL 18 2.058 -12.093 3.323 108 2HG1 VAL 18 2HG1 VAL 18 3.160 -12.302 1.940 109 3HG1 VAL 18 3HG1 VAL 18 2.401 -10.719 2.244 110 1HG2 VAL 18 1HG2 VAL 18 -0.062 -11.641 3.153 111 2HG2 VAL 18 2HG2 VAL 18 -0.780 -11.118 1.611 112 3HG2 VAL 18 3HG2 VAL 18 -0.868 -12.827 2.099 113 H VAL 19 H VAL 19 2.622 -10.106 -1.555 114 HA VAL 19 HA VAL 19 4.199 -12.471 -2.291 115 HB VAL 19 HB VAL 19 4.304 -11.513 -4.585 116 1HG1 VAL 19 1HG1 VAL 19 2.886 -13.326 -4.524 117 2HG1 VAL 19 2HG1 VAL 19 1.787 -12.569 -3.347 118 3HG1 VAL 19 3HG1 VAL 19 1.756 -12.057 -5.051 119 1HG2 VAL 19 1HG2 VAL 19 2.204 -9.637 -3.467 120 2HG2 VAL 19 2HG2 VAL 19 3.744 -9.223 -4.256 121 3HG2 VAL 19 3HG2 VAL 19 2.420 -9.933 -5.209 122 H LYS 20 H LYS 20 6.331 -11.698 -3.427 123 HA LYS 20 HA LYS 20 7.755 -10.214 -1.577 124 1HB LYS 20 1HB LYS 20 8.302 -11.002 -4.435 125 2HB LYS 20 2HB LYS 20 9.493 -10.140 -3.444 126 1HG LYS 20 1HG LYS 20 9.836 -11.955 -2.047 127 2HG LYS 20 2HG LYS 20 8.193 -12.584 -2.264 128 1HD LYS 20 1HD LYS 20 8.728 -13.597 -4.324 129 2HD LYS 20 2HD LYS 20 10.151 -12.573 -4.580 130 1HE LYS 20 1HE LYS 20 10.498 -14.023 -2.117 131 2HE LYS 20 2HE LYS 20 10.012 -15.179 -3.367 132 1HZ LYS 20 1HZ LYS 20 12.451 -13.796 -3.062 133 2HZ LYS 20 2HZ LYS 20 12.102 -15.074 -4.017 134 3HZ LYS 20 3HZ LYS 20 11.833 -13.556 -4.554 135 H VAL 21 H VAL 21 8.460 -8.063 -1.459 136 HA VAL 21 HA VAL 21 7.513 -6.249 -3.523 137 HB VAL 21 HB VAL 21 6.709 -6.124 -0.615 138 1HG1 VAL 21 1HG1 VAL 21 7.501 -3.932 -2.027 139 2HG1 VAL 21 2HG1 VAL 21 5.770 -3.993 -2.439 140 3HG1 VAL 21 3HG1 VAL 21 6.277 -3.909 -0.735 141 1HG2 VAL 21 1HG2 VAL 21 5.329 -6.739 -3.172 142 2HG2 VAL 21 2HG2 VAL 21 4.996 -7.307 -1.517 143 3HG2 VAL 21 3HG2 VAL 21 4.446 -5.694 -2.032 144 H ALA 22 H ALA 22 8.850 -4.445 -3.769 145 HA ALA 22 HA ALA 22 10.938 -4.083 -1.760 146 1HB ALA 22 1HB ALA 22 11.492 -4.368 -4.739 147 2HB ALA 22 2HB ALA 22 12.687 -4.119 -3.443 148 3HB ALA 22 3HB ALA 22 11.779 -5.648 -3.536 149 H GLY 23 H GLY 23 11.973 -1.940 -1.922 150 1HA GLY 23 1HA GLY 23 12.072 0.201 -2.952 151 2HA GLY 23 2HA GLY 23 10.442 -0.020 -3.556 152 H ALA 24 H ALA 24 10.886 2.321 -2.252 153 HA ALA 24 HA ALA 24 8.969 2.653 -0.478 154 1HB ALA 24 1HB ALA 24 11.315 1.337 0.887 155 2HB ALA 24 2HB ALA 24 10.315 2.510 1.778 156 3HB ALA 24 3HB ALA 24 9.573 1.041 1.098 157 H GLY 25 H GLY 25 10.342 4.186 1.632 158 1HA GLY 25 1HA GLY 25 10.763 6.588 0.237 159 2HA GLY 25 2HA GLY 25 11.123 6.274 1.923 160 H LEU 26 H LEU 26 12.743 3.846 0.328 161 HA LEU 26 HA LEU 26 14.901 3.459 0.015 162 1HB LEU 26 1HB LEU 26 14.486 4.346 -2.110 163 2HB LEU 26 2HB LEU 26 14.527 6.019 -1.525 164 HG LEU 26 HG LEU 26 17.038 5.239 -0.899 165 1HD1 LEU 26 1HD1 LEU 26 16.801 2.993 -1.787 166 2HD1 LEU 26 2HD1 LEU 26 16.313 3.642 -3.371 167 3HD1 LEU 26 3HD1 LEU 26 17.962 3.922 -2.765 168 1HD2 LEU 26 1HD2 LEU 26 15.998 7.132 -2.427 169 2HD2 LEU 26 2HD2 LEU 26 17.724 6.705 -2.510 170 3HD2 LEU 26 3HD2 LEU 26 16.592 6.077 -3.732 171 H GLN 27 H GLN 27 14.964 3.803 2.475 172 HA GLN 27 HA GLN 27 16.402 6.215 3.157 173 1HB GLN 27 1HB GLN 27 14.443 5.373 4.518 174 2HB GLN 27 2HB GLN 27 15.443 3.997 5.013 175 1HG GLN 27 1HG GLN 27 16.038 6.948 5.489 176 2HG GLN 27 2HG GLN 27 15.523 5.781 6.717 177 1HE2 GLN 27 1HE2 GLN 27 18.090 7.318 5.265 178 2HE2 GLN 27 2HE2 GLN 27 19.401 6.303 5.771 179 H ALA 28 H ALA 28 16.781 2.940 4.614 180 HA ALA 28 HA ALA 28 18.946 1.928 3.490 181 1HB ALA 28 1HB ALA 28 20.369 3.756 3.498 182 2HB ALA 28 2HB ALA 28 19.703 4.405 5.016 183 3HB ALA 28 3HB ALA 28 20.805 3.008 5.053 184 H GLY 29 H GLY 29 18.197 0.034 4.412 185 1HA GLY 29 1HA GLY 29 17.656 -1.462 6.015 186 2HA GLY 29 2HA GLY 29 19.123 -0.891 6.782 187 H THR 30 H THR 30 16.116 1.019 6.212 188 HA THR 30 HA THR 30 15.869 1.256 9.137 189 HB THR 30 HB THR 30 15.281 3.150 6.811 190 HG1 THR 30 1HG THR 30 16.763 4.390 8.338 191 1HG2 THR 30 1HG2 THR 30 13.467 3.249 8.636 192 2HG2 THR 30 2HG2 THR 30 14.767 3.646 9.785 193 3HG2 THR 30 3HG2 THR 30 14.409 4.744 8.431 194 H ALA 31 H ALA 31 13.711 1.373 10.053 195 HA ALA 31 HA ALA 31 12.088 -0.687 9.075 196 1HB ALA 31 1HB ALA 31 12.251 1.095 11.351 197 2HB ALA 31 2HB ALA 31 10.566 0.986 10.786 198 3HB ALA 31 3HB ALA 31 11.456 -0.492 11.223 199 H TYR 32 H TYR 32 9.999 -0.632 8.079 200 HA TYR 32 HA TYR 32 9.120 1.945 7.053 201 1HB TYR 32 1HB TYR 32 10.316 -0.414 5.592 202 2HB TYR 32 2HB TYR 32 8.892 0.305 4.834 203 HD1 TYR 32 1HD TYR 32 8.993 2.930 4.529 204 HD2 TYR 32 2HD TYR 32 12.418 0.427 5.094 205 HE1 TYR 32 1HE TYR 32 10.477 4.711 3.485 206 HE2 TYR 32 2HE TYR 32 13.890 2.216 4.048 207 HH TYR 32 HH TYR 32 13.165 4.288 2.199 208 H ASP 33 H ASP 33 7.428 1.439 8.692 209 HA ASP 33 HA ASP 33 5.921 -0.824 8.662 210 1HB ASP 33 1HB ASP 33 5.908 1.377 10.153 211 2HB ASP 33 2HB ASP 33 4.598 1.865 9.066 212 HD2 ASP 33 HD2 ASP 33 2.403 -0.440 10.478 213 H VAL 34 H VAL 34 4.581 -1.681 7.064 214 HA VAL 34 HA VAL 34 4.149 -0.435 4.637 215 HB VAL 34 HB VAL 34 2.511 -2.599 5.973 216 1HG1 VAL 34 1HG1 VAL 34 2.739 -1.619 3.135 217 2HG1 VAL 34 2HG1 VAL 34 2.331 -3.318 3.473 218 3HG1 VAL 34 3HG1 VAL 34 1.286 -2.012 4.083 219 1HG2 VAL 34 1HG2 VAL 34 4.622 -3.516 6.066 220 2HG2 VAL 34 2HG2 VAL 34 4.125 -4.017 4.431 221 3HG2 VAL 34 3HG2 VAL 34 5.200 -2.613 4.644 222 H GLY 35 H GLY 35 2.086 0.318 3.663 223 1HA GLY 35 1HA GLY 35 0.380 1.654 5.681 224 2HA GLY 35 2HA GLY 35 0.907 2.419 4.195 225 H GLN 36 H GLN 36 0.326 1.210 2.081 226 HA GLN 36 HA GLN 36 -1.127 0.296 0.746 227 1HB GLN 36 1HB GLN 36 -1.142 -1.793 1.784 228 2HB GLN 36 2HB GLN 36 -1.875 -1.178 3.274 229 1HG GLN 36 1HG GLN 36 -3.853 -1.921 2.478 230 2HG GLN 36 2HG GLN 36 -3.779 -0.628 1.270 231 1HE2 GLN 36 1HE2 GLN 36 -3.516 -1.112 -0.808 232 2HE2 GLN 36 2HE2 GLN 36 -3.263 -2.696 -1.461 233 H CYS 37 H CYS 37 -2.390 1.909 -0.096 234 HA CYS 37 HA CYS 37 -4.711 2.682 1.512 235 1HB CYS 37 1HB CYS 37 -3.093 4.515 -0.250 236 2HB CYS 37 2HB CYS 37 -4.533 4.955 0.688 237 H ALA 38 H ALA 38 -6.254 4.004 -0.234 238 HA ALA 38 HA ALA 38 -6.294 2.351 -2.665 239 1HB ALA 38 1HB ALA 38 -7.994 1.697 -0.895 240 2HB ALA 38 2HB ALA 38 -8.726 3.305 -1.110 241 3HB ALA 38 3HB ALA 38 -8.683 2.159 -2.470 242 H TRP 39 H TRP 39 -5.041 4.171 -3.597 243 HA TRP 39 HA TRP 39 -6.091 6.781 -3.621 244 1HB TRP 39 1HB TRP 39 -3.798 6.500 -4.024 245 2HB TRP 39 2HB TRP 39 -4.069 5.325 -5.312 246 HD1 TRP 39 HD TRP 39 -5.164 9.058 -4.792 247 HE1 TRP 39 1HE TRP 39 -4.803 10.434 -7.014 248 HE3 TRP 39 3HE TRP 39 -3.354 5.171 -7.524 249 HZ2 TRP 39 2HZ TRP 39 -3.824 9.757 -9.608 250 HZ3 TRP 39 3HZ TRP 39 -2.718 5.614 -9.894 251 HH2 TRP 39 HH TRP 39 -2.929 7.812 -10.940 252 H VAL 40 H VAL 40 -8.180 7.092 -4.341 253 HA VAL 40 HA VAL 40 -8.902 5.760 -6.856 254 HB VAL 40 HB VAL 40 -10.787 6.990 -4.852 255 1HG1 VAL 40 1HG1 VAL 40 -11.114 5.858 -7.424 256 2HG1 VAL 40 2HG1 VAL 40 -11.763 4.673 -6.266 257 3HG1 VAL 40 3HG1 VAL 40 -12.381 6.341 -6.271 258 1HG2 VAL 40 1HG2 VAL 40 -10.838 4.161 -4.607 259 2HG2 VAL 40 2HG2 VAL 40 -9.138 4.669 -4.461 260 3HG2 VAL 40 3HG2 VAL 40 -10.372 5.366 -3.383 261 H ASP 41 H ASP 41 -11.224 8.017 -6.370 262 HA ASP 41 HA ASP 41 -10.493 9.569 -8.474 263 1HB ASP 41 1HB ASP 41 -12.566 9.492 -6.493 264 2HB ASP 41 2HB ASP 41 -12.023 11.173 -6.613 265 HD2 ASP 41 HD2 ASP 41 -14.671 10.499 -9.041 266 H THR 42 H THR 42 -10.583 12.279 -7.865 267 HA THR 42 HA THR 42 -7.983 12.741 -6.774 268 HB THR 42 HB THR 42 -10.237 14.587 -7.727 269 HG1 THR 42 1HG THR 42 -9.100 14.316 -9.685 270 1HG2 THR 42 1HG2 THR 42 -7.620 15.152 -6.508 271 2HG2 THR 42 2HG2 THR 42 -7.689 15.730 -8.190 272 3HG2 THR 42 3HG2 THR 42 -8.892 16.294 -7.004 273 H GLY 43 H GLY 43 -7.928 12.063 -4.625 274 1HA GLY 43 1HA GLY 43 -7.868 13.100 -2.480 275 2HA GLY 43 2HA GLY 43 -9.419 13.848 -2.807 276 H VAL 44 H VAL 44 -9.864 10.901 -4.182 277 HA VAL 44 HA VAL 44 -11.170 9.896 -1.793 278 HB VAL 44 HB VAL 44 -11.239 8.886 -4.642 279 1HG1 VAL 44 1HG1 VAL 44 -13.655 8.339 -3.318 280 2HG1 VAL 44 2HG1 VAL 44 -12.378 7.180 -3.761 281 3HG1 VAL 44 3HG1 VAL 44 -12.375 7.934 -2.148 282 1HG2 VAL 44 1HG2 VAL 44 -12.001 11.180 -4.640 283 2HG2 VAL 44 2HG2 VAL 44 -13.412 10.105 -4.794 284 3HG2 VAL 44 3HG2 VAL 44 -13.047 10.876 -3.232 285 H LEU 45 H LEU 45 -8.592 9.756 -1.186 286 HA LEU 45 HA LEU 45 -7.640 7.131 -2.043 287 1HB LEU 45 1HB LEU 45 -6.016 8.761 -2.362 288 2HB LEU 45 2HB LEU 45 -6.330 9.533 -0.798 289 HG LEU 45 HG LEU 45 -5.349 6.717 -0.786 290 1HD1 LEU 45 1HD1 LEU 45 -3.923 8.878 -2.125 291 2HD1 LEU 45 2HD1 LEU 45 -2.996 8.183 -0.774 292 3HD1 LEU 45 3HD1 LEU 45 -3.586 7.131 -2.083 293 1HD2 LEU 45 1HD2 LEU 45 -5.285 7.235 1.373 294 2HD2 LEU 45 2HD2 LEU 45 -3.909 8.302 1.005 295 3HD2 LEU 45 3HD2 LEU 45 -5.562 8.961 1.038 296 H ALA 46 H ALA 46 -8.685 5.574 -0.864 297 HA ALA 46 HA ALA 46 -9.198 6.047 1.939 298 1HB ALA 46 1HB ALA 46 -9.646 3.380 0.675 299 2HB ALA 46 2HB ALA 46 -10.707 4.334 1.738 300 3HB ALA 46 3HB ALA 46 -10.576 4.744 0.011 301 H CYS 47 H CYS 47 -7.163 6.162 2.953 302 HA CYS 47 HA CYS 47 -5.118 4.320 2.399 303 1HB CYS 47 1HB CYS 47 -5.564 6.583 4.119 304 2HB CYS 47 2HB CYS 47 -4.723 5.294 5.000 305 H ASN 48 H ASN 48 -4.267 2.703 4.061 306 HA ASN 48 HA ASN 48 -6.551 1.447 5.366 307 1HB ASN 48 1HB ASN 48 -5.328 0.210 3.464 308 2HB ASN 48 2HB ASN 48 -3.935 0.089 4.551 309 1HD2 ASN 48 1HD2 ASN 48 -4.020 -2.130 4.616 310 2HD2 ASN 48 2HD2 ASN 48 -5.234 -3.020 5.475 311 HA PRO 49 HA PRO 49 -3.688 2.696 8.664 312 1HB PRO 49 1HB PRO 49 -5.579 3.568 10.433 313 2HB PRO 49 2HB PRO 49 -4.774 4.630 9.281 314 1HG PRO 49 1HG PRO 49 -7.489 3.479 9.225 315 2HG PRO 49 2HG PRO 49 -6.858 4.910 8.331 316 1HD PRO 49 1HD PRO 49 -7.399 2.282 7.331 317 2HD PRO 49 2HD PRO 49 -6.627 3.608 6.451 318 H ALA 50 H ALA 50 -4.750 0.066 7.975 319 HA ALA 50 HA ALA 50 -4.647 -0.974 10.710 320 1HB ALA 50 1HB ALA 50 -6.499 -2.196 8.664 321 2HB ALA 50 2HB ALA 50 -6.551 -2.302 10.440 322 3HB ALA 50 3HB ALA 50 -7.034 -0.796 9.624 323 H ASP 51 H ASP 51 -3.063 -0.648 7.915 324 HA ASP 51 HA ASP 51 -2.637 -3.137 6.906 325 1HB ASP 51 1HB ASP 51 -0.244 -2.175 6.450 326 2HB ASP 51 2HB ASP 51 -1.640 -1.374 5.710 327 HD2 ASP 51 HD2 ASP 51 0.392 0.535 8.546 328 H PHE 52 H PHE 52 -0.713 -1.341 9.435 329 HA PHE 52 HA PHE 52 0.439 -2.044 11.185 330 1HB PHE 52 1HB PHE 52 -0.633 -4.836 10.486 331 2HB PHE 52 2HB PHE 52 -0.037 -4.323 12.068 332 HD1 PHE 52 1HD PHE 52 -2.813 -5.496 11.031 333 HD2 PHE 52 2HD PHE 52 -1.442 -1.653 12.194 334 HE1 PHE 52 1HE PHE 52 -5.151 -4.860 11.685 335 HE2 PHE 52 2HE PHE 52 -3.779 -1.015 12.849 336 HZ PHE 52 HZ PHE 52 -5.606 -2.627 12.587 337 H SER 53 H SER 53 0.517 -4.245 8.335 338 HA SER 53 HA SER 53 2.720 -5.639 8.688 339 1HB SER 53 1HB SER 53 1.508 -4.289 6.326 340 2HB SER 53 2HB SER 53 3.165 -4.881 6.104 341 HG SER 53 HG SER 53 1.892 -6.613 5.554 342 H SER 54 H SER 54 5.045 -5.372 8.181 343 HA SER 54 HA SER 54 5.946 -2.654 7.934 344 1HB SER 54 1HB SER 54 7.585 -3.057 9.877 345 2HB SER 54 2HB SER 54 5.901 -2.710 10.309 346 HG SER 54 HG SER 54 7.037 -5.366 10.091 347 H VAL 55 H VAL 55 8.026 -2.529 6.949 348 HA VAL 55 HA VAL 55 9.344 -5.101 6.467 349 HB VAL 55 HB VAL 55 7.899 -4.479 4.552 350 1HG1 VAL 55 1HG1 VAL 55 8.020 -2.041 4.749 351 2HG1 VAL 55 2HG1 VAL 55 9.747 -2.080 4.323 352 3HG1 VAL 55 3HG1 VAL 55 8.525 -2.573 3.128 353 1HG2 VAL 55 1HG2 VAL 55 10.695 -4.157 3.542 354 2HG2 VAL 55 2HG2 VAL 55 10.310 -5.612 4.493 355 3HG2 VAL 55 3HG2 VAL 55 9.401 -5.254 3.005 356 H THR 56 H THR 56 11.630 -4.582 5.405 357 HA THR 56 HA THR 56 12.717 -2.227 6.802 358 HB THR 56 HB THR 56 13.642 -5.127 6.694 359 HG1 THR 56 1HG THR 56 12.999 -4.812 8.789 360 1HG2 THR 56 1HG2 THR 56 15.573 -3.488 6.128 361 2HG2 THR 56 2HG2 THR 56 15.292 -2.776 7.736 362 3HG2 THR 56 3HG2 THR 56 15.792 -4.479 7.591 363 H ALA 57 H ALA 57 14.498 -1.158 5.818 364 HA ALA 57 HA ALA 57 14.351 -1.311 2.948 365 1HB ALA 57 1HB ALA 57 14.822 0.677 4.874 366 2HB ALA 57 2HB ALA 57 16.387 0.464 4.054 367 3HB ALA 57 3HB ALA 57 14.932 0.858 3.107 368 H ASP 58 H ASP 58 16.453 -1.296 1.647 369 HA ASP 58 HA ASP 58 18.326 -3.135 2.916 370 1HB ASP 58 1HB ASP 58 18.739 -3.897 0.471 371 2HB ASP 58 2HB ASP 58 17.254 -4.447 1.260 372 HD2 ASP 58 HD2 ASP 58 15.830 -3.399 -1.707 373 H ALA 59 H ALA 59 20.388 -2.230 3.033 374 HA ALA 59 HA ALA 59 21.851 -0.501 2.861 375 1HB ALA 59 1HB ALA 59 22.724 -0.707 0.295 376 2HB ALA 59 2HB ALA 59 23.089 -1.909 1.556 377 3HB ALA 59 3HB ALA 59 21.754 -2.195 0.414 378 H ASN 60 H ASN 60 20.846 -0.214 -0.560 379 HA ASN 60 HA ASN 60 20.963 2.375 -0.830 380 1HB ASN 60 1HB ASN 60 19.178 0.283 -1.963 381 2HB ASN 60 2HB ASN 60 18.572 1.932 -2.179 382 1HD2 ASN 60 1HD2 ASN 60 19.377 0.201 -4.243 383 2HD2 ASN 60 2HD2 ASN 60 20.757 0.869 -5.049 384 H GLY 61 H GLY 61 18.169 0.567 0.609 385 1HA GLY 61 1HA GLY 61 17.196 1.678 2.589 386 2HA GLY 61 2HA GLY 61 17.108 3.136 1.622 387 H SER 62 H SER 62 16.609 0.374 -0.351 388 HA SER 62 HA SER 62 13.820 1.035 -0.498 389 1HB SER 62 1HB SER 62 14.364 0.695 -2.661 390 2HB SER 62 2HB SER 62 15.839 -0.197 -2.245 391 HG SER 62 HG SER 62 14.807 -2.034 -2.613 392 H ALA 63 H ALA 63 12.132 -0.269 0.235 393 HA ALA 63 HA ALA 63 12.651 -2.195 2.163 394 1HB ALA 63 1HB ALA 63 10.529 -0.763 1.591 395 2HB ALA 63 2HB ALA 63 10.103 -2.138 0.545 396 3HB ALA 63 3HB ALA 63 10.322 -2.385 2.294 397 H SER 64 H SER 64 11.838 -4.547 2.041 398 HA SER 64 HA SER 64 11.784 -5.777 -0.472 399 1HB SER 64 1HB SER 64 13.925 -7.186 0.047 400 2HB SER 64 2HB SER 64 14.112 -5.590 -0.702 401 HG SER 64 HG SER 64 14.069 -5.504 2.089 402 H THR 65 H THR 65 10.011 -6.976 0.238 403 HA THR 65 HA THR 65 10.406 -9.284 1.709 404 HB THR 65 HB THR 65 10.558 -7.179 3.456 405 HG1 THR 65 1HG THR 65 10.615 -9.022 4.684 406 1HG2 THR 65 1HG2 THR 65 7.954 -6.859 2.793 407 2HG2 THR 65 2HG2 THR 65 7.762 -8.203 3.945 408 3HG2 THR 65 3HG2 THR 65 8.510 -6.676 4.473 409 H SER 66 H SER 66 8.191 -10.261 2.421 410 HA SER 66 HA SER 66 6.517 -9.883 0.146 411 1HB SER 66 1HB SER 66 5.328 -11.837 0.941 412 2HB SER 66 2HB SER 66 7.065 -12.140 1.117 413 HG SER 66 HG SER 66 6.898 -12.047 3.302 414 H LEU 67 H LEU 67 4.976 -8.290 0.104 415 HA LEU 67 HA LEU 67 3.783 -7.532 2.675 416 1HB LEU 67 1HB LEU 67 4.209 -6.025 0.108 417 2HB LEU 67 2HB LEU 67 3.153 -5.441 1.407 418 HG LEU 67 HG LEU 67 6.129 -5.601 1.256 419 1HD1 LEU 67 1HD1 LEU 67 5.339 -3.495 2.889 420 2HD1 LEU 67 2HD1 LEU 67 5.761 -3.408 1.162 421 3HD1 LEU 67 3HD1 LEU 67 4.061 -3.593 1.656 422 1HD2 LEU 67 1HD2 LEU 67 6.242 -5.379 3.765 423 2HD2 LEU 67 2HD2 LEU 67 4.555 -5.947 3.816 424 3HD2 LEU 67 3HD2 LEU 67 5.830 -6.998 3.154 425 H THR 68 H THR 68 1.481 -7.268 2.816 426 HA THR 68 HA THR 68 0.088 -9.105 1.060 427 HB THR 68 HB THR 68 -0.343 -9.347 3.424 428 HG1 THR 68 1HG THR 68 -2.279 -9.344 2.115 429 1HG2 THR 68 1HG2 THR 68 -0.007 -7.519 4.770 430 2HG2 THR 68 2HG2 THR 68 -0.162 -6.398 3.396 431 3HG2 THR 68 3HG2 THR 68 -1.617 -6.974 4.241 432 H VAL 69 H VAL 69 -0.509 -8.386 -0.896 433 HA VAL 69 HA VAL 69 -1.159 -5.605 -1.243 434 HB VAL 69 HB VAL 69 -1.451 -7.851 -3.232 435 1HG1 VAL 69 1HG1 VAL 69 -1.583 -4.920 -3.310 436 2HG1 VAL 69 2HG1 VAL 69 -0.481 -5.610 -4.525 437 3HG1 VAL 69 3HG1 VAL 69 -2.183 -6.127 -4.472 438 1HG2 VAL 69 1HG2 VAL 69 1.081 -6.243 -2.959 439 2HG2 VAL 69 2HG2 VAL 69 0.835 -7.715 -1.990 440 3HG2 VAL 69 3HG2 VAL 69 0.813 -7.806 -3.767 441 H ARG 70 H ARG 70 -2.906 -5.968 0.559 442 HA ARG 70 HA ARG 70 -5.122 -7.453 0.139 443 1HB ARG 70 1HB ARG 70 -5.005 -4.642 1.327 444 2HB ARG 70 2HB ARG 70 -6.285 -5.827 1.631 445 1HG ARG 70 1HG ARG 70 -5.040 -6.905 3.183 446 2HG ARG 70 2HG ARG 70 -3.599 -6.917 2.149 447 1HD ARG 70 1HD ARG 70 -4.395 -4.283 3.324 448 2HD ARG 70 2HD ARG 70 -3.770 -5.486 4.462 449 HE ARG 70 HE ARG 70 -2.185 -5.061 2.000 450 1HH1 ARG 70 1HH1 ARG 70 -2.612 -4.312 5.411 451 2HH1 ARG 70 2HH1 ARG 70 -0.982 -3.764 5.626 452 1HH2 ARG 70 1HH2 ARG 70 -0.036 -4.339 2.282 453 2HH2 ARG 70 2HH2 ARG 70 0.492 -3.780 3.834 454 H ARG 71 H ARG 71 -7.203 -7.074 -0.861 455 HA ARG 71 HA ARG 71 -7.131 -4.883 -2.779 456 1HB ARG 71 1HB ARG 71 -6.995 -6.973 -3.983 457 2HB ARG 71 2HB ARG 71 -8.300 -7.694 -3.026 458 1HG ARG 71 1HG ARG 71 -9.749 -5.731 -3.966 459 2HG ARG 71 2HG ARG 71 -8.466 -5.558 -5.178 460 1HD ARG 71 1HD ARG 71 -9.479 -7.198 -6.354 461 2HD ARG 71 2HD ARG 71 -9.026 -8.335 -5.075 462 HE ARG 71 HE ARG 71 -11.456 -6.792 -4.506 463 1HH1 ARG 71 1HH1 ARG 71 -10.162 -9.703 -6.002 464 2HH1 ARG 71 2HH1 ARG 71 -11.659 -10.569 -5.906 465 1HH2 ARG 71 1HH2 ARG 71 -13.430 -7.936 -4.380 466 2HH2 ARG 71 2HH2 ARG 71 -13.530 -9.558 -4.978 467 H SER 72 H SER 72 -9.684 -7.230 -1.686 468 HA SER 72 HA SER 72 -11.557 -5.113 -1.516 469 1HB SER 72 1HB SER 72 -12.149 -7.411 -2.253 470 2HB SER 72 2HB SER 72 -11.793 -8.024 -0.629 471 HG SER 72 HG SER 72 -13.695 -5.902 -1.041 472 H PHE 73 H PHE 73 -11.084 -3.648 0.147 473 HA PHE 73 HA PHE 73 -11.428 -4.683 2.823 474 1HB PHE 73 1HB PHE 73 -9.276 -4.063 3.560 475 2HB PHE 73 2HB PHE 73 -8.881 -4.524 1.899 476 HD1 PHE 73 1HD PHE 73 -9.435 -2.389 0.217 477 HD2 PHE 73 2HD PHE 73 -8.199 -2.182 4.273 478 HE1 PHE 73 1HE PHE 73 -8.508 -0.091 -0.183 479 HE2 PHE 73 2HE PHE 73 -7.271 0.117 3.872 480 HZ PHE 73 HZ PHE 73 -7.436 1.134 1.649 481 H GLU 74 H GLU 74 -11.008 -2.522 4.371 482 HA GLU 74 HA GLU 74 -12.669 -0.504 3.076 483 1HB GLU 74 1HB GLU 74 -13.229 0.107 5.521 484 2HB GLU 74 2HB GLU 74 -13.918 -1.394 4.883 485 1HG GLU 74 1HG GLU 74 -11.231 -1.559 6.200 486 2HG GLU 74 2HG GLU 74 -12.620 -1.267 7.257 487 HE2 GLU 74 HE2 GLU 74 -12.451 -4.735 5.278 488 H GLY 75 H GLY 75 -11.647 1.385 2.593 489 1HA GLY 75 1HA GLY 75 -9.192 2.032 4.098 490 2HA GLY 75 2HA GLY 75 -9.558 2.529 2.459 491 H PHE 76 H PHE 76 -8.788 4.402 4.438 492 HA PHE 76 HA PHE 76 -11.332 5.774 4.956 493 1HB PHE 76 1HB PHE 76 -8.661 5.477 6.370 494 2HB PHE 76 2HB PHE 76 -9.544 6.990 6.607 495 HD1 PHE 76 1HD PHE 76 -11.058 7.107 8.348 496 HD2 PHE 76 2HD PHE 76 -10.066 3.296 6.767 497 HE1 PHE 76 1HE PHE 76 -12.429 6.008 10.140 498 HE2 PHE 76 2HE PHE 76 -11.437 2.196 8.560 499 HZ PHE 76 HZ PHE 76 -12.602 3.566 10.224 500 H LEU 77 H LEU 77 -11.634 7.804 4.096 501 HA LEU 77 HA LEU 77 -10.259 8.688 1.959 502 1HB LEU 77 1HB LEU 77 -11.954 9.990 4.020 503 2HB LEU 77 2HB LEU 77 -11.090 11.034 2.875 504 HG LEU 77 HG LEU 77 -12.883 8.761 2.002 505 1HD1 LEU 77 1HD1 LEU 77 -13.602 11.527 2.884 506 2HD1 LEU 77 2HD1 LEU 77 -14.474 10.807 1.510 507 3HD1 LEU 77 3HD1 LEU 77 -14.477 9.991 3.092 508 1HD2 LEU 77 1HD2 LEU 77 -12.420 9.371 -0.091 509 2HD2 LEU 77 2HD2 LEU 77 -12.634 11.100 0.273 510 3HD2 LEU 77 3HD2 LEU 77 -11.072 10.310 0.594 511 H PHE 78 H PHE 78 -9.750 9.945 5.335 512 HA PHE 78 HA PHE 78 -7.157 9.741 5.634 513 1HB PHE 78 1HB PHE 78 -6.354 10.734 3.671 514 2HB PHE 78 2HB PHE 78 -7.836 11.663 3.425 515 HD1 PHE 78 1HD PHE 78 -7.958 13.927 4.088 516 HD2 PHE 78 2HD PHE 78 -4.652 11.563 5.307 517 HE1 PHE 78 1HE PHE 78 -6.781 15.991 4.897 518 HE2 PHE 78 2HE PHE 78 -3.474 13.627 6.115 519 HZ PHE 78 HZ PHE 78 -4.553 15.817 5.901 520 H ASP 79 H ASP 79 -9.984 11.838 5.700 521 HA ASP 79 HA ASP 79 -8.849 13.397 7.842 522 1HB ASP 79 1HB ASP 79 -11.164 13.587 5.993 523 2HB ASP 79 2HB ASP 79 -11.496 14.173 7.630 524 HD2 ASP 79 HD2 ASP 79 -10.251 16.924 5.629 525 H GLY 80 H GLY 80 -12.131 11.908 7.283 526 1HA GLY 80 1HA GLY 80 -11.958 10.154 9.529 527 2HA GLY 80 2HA GLY 80 -12.868 11.602 9.915 528 H THR 81 H THR 81 -12.728 10.268 6.603 529 HA THR 81 HA THR 81 -15.442 9.199 6.957 530 HB THR 81 HB THR 81 -14.433 11.148 4.819 531 HG1 THR 81 1HG THR 81 -16.598 11.103 6.803 532 1HG2 THR 81 1HG2 THR 81 -16.535 10.938 3.722 533 2HG2 THR 81 2HG2 THR 81 -16.116 9.246 4.079 534 3HG2 THR 81 3HG2 THR 81 -17.278 10.112 5.113 535 H ARG 82 H ARG 82 -14.972 7.053 6.857 536 HA ARG 82 HA ARG 82 -13.147 6.210 4.802 537 1HB ARG 82 1HB ARG 82 -13.386 3.967 5.853 538 2HB ARG 82 2HB ARG 82 -12.968 5.195 7.061 539 1HG ARG 82 1HG ARG 82 -15.012 5.049 8.100 540 2HG ARG 82 2HG ARG 82 -15.888 4.732 6.593 541 1HD ARG 82 1HD ARG 82 -14.300 2.469 6.866 542 2HD ARG 82 2HD ARG 82 -14.716 2.837 8.546 543 HE ARG 82 HE ARG 82 -16.492 1.806 6.512 544 1HH1 ARG 82 1HH1 ARG 82 -16.416 3.947 9.302 545 2HH1 ARG 82 2HH1 ARG 82 -18.097 3.743 9.666 546 1HH2 ARG 82 1HH2 ARG 82 -18.710 1.535 6.992 547 2HH2 ARG 82 2HH2 ARG 82 -19.411 2.360 8.344 548 H TRP 83 H TRP 83 -13.792 4.325 3.347 549 HA TRP 83 HA TRP 83 -16.468 4.812 2.341 550 1HB TRP 83 1HB TRP 83 -14.181 3.167 1.253 551 2HB TRP 83 2HB TRP 83 -15.720 3.447 0.436 552 HD1 TRP 83 HD TRP 83 -12.315 4.972 0.853 553 HE1 TRP 83 1HE TRP 83 -12.091 7.311 -0.349 554 HE3 TRP 83 3HE TRP 83 -17.286 5.588 -0.021 555 HZ2 TRP 83 2HZ TRP 83 -13.977 9.115 -1.504 556 HZ3 TRP 83 3HZ TRP 83 -18.011 7.665 -1.191 557 HH2 TRP 83 HH TRP 83 -16.448 9.395 -1.926 558 H GLY 84 H GLY 84 -14.381 1.941 3.172 559 1HA GLY 84 1HA GLY 84 -15.030 0.219 4.599 560 2HA GLY 84 2HA GLY 84 -16.711 0.678 4.422 561 H THR 85 H THR 85 -15.571 -2.012 4.101 562 HA THR 85 HA THR 85 -15.049 -3.487 2.325 563 HB THR 85 HB THR 85 -17.908 -2.973 3.078 564 HG1 THR 85 1HG THR 85 -17.489 -5.243 3.697 565 1HG2 THR 85 1HG2 THR 85 -18.564 -3.638 0.920 566 2HG2 THR 85 2HG2 THR 85 -17.040 -4.505 0.618 567 3HG2 THR 85 3HG2 THR 85 -18.285 -5.230 1.665 568 H VAL 86 H VAL 86 -13.874 -2.008 0.857 569 HA VAL 86 HA VAL 86 -15.530 -1.502 -1.519 570 HB VAL 86 HB VAL 86 -14.802 0.539 -0.233 571 1HG1 VAL 86 1HG1 VAL 86 -12.648 0.069 0.556 572 2HG1 VAL 86 2HG1 VAL 86 -12.092 -0.529 -1.026 573 3HG1 VAL 86 3HG1 VAL 86 -12.365 1.212 -0.778 574 1HG2 VAL 86 1HG2 VAL 86 -14.798 1.730 -2.160 575 2HG2 VAL 86 2HG2 VAL 86 -13.462 0.789 -2.867 576 3HG2 VAL 86 3HG2 VAL 86 -15.120 0.143 -2.901 577 H ASP 87 H ASP 87 -14.625 -2.090 -3.527 578 HA ASP 87 HA ASP 87 -12.635 -4.107 -3.286 579 1HB ASP 87 1HB ASP 87 -13.440 -3.126 -5.983 580 2HB ASP 87 2HB ASP 87 -13.351 -4.785 -5.377 581 HD2 ASP 87 HD2 ASP 87 -16.674 -4.628 -4.230 582 H CYS 88 H CYS 88 -10.441 -3.605 -3.371 583 HA CYS 88 HA CYS 88 -9.534 -1.049 -4.020 584 1HB CYS 88 1HB CYS 88 -8.307 -3.676 -3.409 585 2HB CYS 88 2HB CYS 88 -7.279 -2.470 -4.207 586 H THR 89 H THR 89 -9.676 -4.187 -5.813 587 HA THR 89 HA THR 89 -8.252 -3.476 -8.063 588 HB THR 89 HB THR 89 -8.975 -5.768 -7.615 589 HG1 THR 89 1HG THR 89 -8.911 -4.855 -9.884 590 1HG2 THR 89 1HG2 THR 89 -11.097 -6.264 -6.931 591 2HG2 THR 89 2HG2 THR 89 -11.516 -4.537 -7.039 592 3HG2 THR 89 3HG2 THR 89 -11.746 -5.599 -8.449 593 H THR 90 H THR 90 -11.295 -2.220 -6.923 594 HA THR 90 HA THR 90 -12.038 -1.269 -9.568 595 HB THR 90 HB THR 90 -13.271 -1.105 -6.772 596 HG1 THR 90 1HG THR 90 -14.800 -2.512 -8.036 597 1HG2 THR 90 1HG2 THR 90 -14.529 -0.290 -9.439 598 2HG2 THR 90 2HG2 THR 90 -15.252 -0.152 -7.818 599 3HG2 THR 90 3HG2 THR 90 -13.885 0.893 -8.274 600 H ALA 91 H ALA 91 -10.057 -0.282 -6.921 601 HA ALA 91 HA ALA 91 -10.019 2.421 -8.068 602 1HB ALA 91 1HB ALA 91 -10.192 1.522 -5.189 603 2HB ALA 91 2HB ALA 91 -9.403 3.062 -5.604 604 3HB ALA 91 3HB ALA 91 -11.110 2.795 -6.030 605 H ALA 92 H ALA 92 -8.455 -0.290 -8.292 606 HA ALA 92 HA ALA 92 -6.328 -1.022 -8.126 607 1HB ALA 92 1HB ALA 92 -6.721 1.083 -9.966 608 2HB ALA 92 2HB ALA 92 -5.143 1.402 -9.207 609 3HB ALA 92 3HB ALA 92 -5.446 -0.159 -10.006 610 H CYS 93 H CYS 93 -6.607 -0.727 -5.633 611 HA CYS 93 HA CYS 93 -5.580 1.421 -4.292 612 1HB CYS 93 1HB CYS 93 -5.713 -1.503 -3.648 613 2HB CYS 93 2HB CYS 93 -4.989 -0.351 -2.511 614 H GLN 94 H GLN 94 -3.398 1.075 -2.839 615 HA GLN 94 HA GLN 94 -1.322 -0.016 -4.533 616 1HB GLN 94 1HB GLN 94 0.047 2.006 -4.361 617 2HB GLN 94 2HB GLN 94 -1.499 2.390 -5.139 618 1HG GLN 94 1HG GLN 94 -1.160 2.692 -2.146 619 2HG GLN 94 2HG GLN 94 -0.571 3.960 -3.233 620 1HE2 GLN 94 1HE2 GLN 94 -2.181 5.187 -1.973 621 2HE2 GLN 94 2HE2 GLN 94 -3.821 5.234 -2.525 622 H VAL 95 H VAL 95 0.739 -0.375 -3.342 623 HA VAL 95 HA VAL 95 0.285 -0.440 -0.438 624 HB VAL 95 HB VAL 95 0.125 -2.650 -1.591 625 1HG1 VAL 95 1HG1 VAL 95 1.975 -3.683 -2.619 626 2HG1 VAL 95 2HG1 VAL 95 1.953 -2.033 -3.286 627 3HG1 VAL 95 3HG1 VAL 95 3.114 -2.461 -2.006 628 1HG2 VAL 95 1HG2 VAL 95 2.227 -2.092 0.500 629 2HG2 VAL 95 2HG2 VAL 95 0.598 -2.783 0.696 630 3HG2 VAL 95 3HG2 VAL 95 1.891 -3.751 -0.050 631 H GLY 96 H GLY 96 1.442 1.325 0.251 632 1HA GLY 96 1HA GLY 96 4.178 1.626 -0.820 633 2HA GLY 96 2HA GLY 96 3.191 2.912 -0.157 634 H LEU 97 H LEU 97 5.785 2.497 0.816 635 HA LEU 97 HA LEU 97 5.343 1.122 3.367 636 1HB LEU 97 1HB LEU 97 7.744 1.683 1.685 637 2HB LEU 97 2HB LEU 97 7.933 1.460 3.433 638 HG LEU 97 HG LEU 97 8.342 -0.654 2.611 639 1HD1 LEU 97 1HD1 LEU 97 6.429 -0.559 4.294 640 2HD1 LEU 97 2HD1 LEU 97 5.347 -0.885 2.920 641 3HD1 LEU 97 3HD1 LEU 97 6.610 -2.061 3.357 642 1HD2 LEU 97 1HD2 LEU 97 6.535 -1.590 0.840 643 2HD2 LEU 97 2HD2 LEU 97 6.508 0.140 0.424 644 3HD2 LEU 97 3HD2 LEU 97 8.042 -0.763 0.378 645 H SER 98 H SER 98 5.666 2.203 5.338 646 HA SER 98 HA SER 98 5.970 5.088 5.022 647 1HB SER 98 1HB SER 98 3.833 3.567 6.184 648 2HB SER 98 2HB SER 98 4.630 4.462 7.491 649 HG SER 98 HG SER 98 3.085 5.852 6.663 650 H ASP 99 H ASP 99 7.299 6.178 6.577 651 HA ASP 99 HA ASP 99 8.946 4.328 8.099 652 1HB ASP 99 1HB ASP 99 10.149 6.860 8.179 653 2HB ASP 99 2HB ASP 99 10.623 5.513 7.132 654 HD2 ASP 99 HD2 ASP 99 9.313 7.063 4.321 655 H ALA 100 H ALA 100 10.023 5.838 10.086 656 HA ALA 100 HA ALA 100 7.741 6.485 11.717 657 1HB ALA 100 1HB ALA 100 10.498 6.967 12.715 658 2HB ALA 100 2HB ALA 100 9.154 6.062 13.452 659 3HB ALA 100 3HB ALA 100 10.155 5.300 12.192 660 H ALA 101 H ALA 101 8.928 8.142 9.264 661 HA ALA 101 HA ALA 101 9.024 10.685 10.740 662 1HB ALA 101 1HB ALA 101 11.008 9.670 9.205 663 2HB ALA 101 2HB ALA 101 10.058 10.494 7.945 664 3HB ALA 101 3HB ALA 101 10.681 11.415 9.334 665 H GLY 102 H GLY 102 7.201 8.627 8.707 666 1HA GLY 102 1HA GLY 102 5.178 8.941 7.754 667 2HA GLY 102 2HA GLY 102 5.157 10.583 8.365 668 H ASN 103 H ASN 103 7.498 8.917 6.145 669 HA ASN 103 HA ASN 103 7.943 11.046 4.551 670 1HB ASN 103 1HB ASN 103 8.276 8.131 4.394 671 2HB ASN 103 2HB ASN 103 7.999 8.825 2.790 672 1HD2 ASN 103 1HD2 ASN 103 10.240 7.941 2.604 673 2HD2 ASN 103 2HD2 ASN 103 11.567 8.990 2.980 674 H GLY 104 H GLY 104 7.334 10.471 1.868 675 1HA GLY 104 1HA GLY 104 4.700 11.399 1.588 676 2HA GLY 104 2HA GLY 104 5.735 10.776 0.318 677 HA PRO 105 HA PRO 105 2.433 7.695 1.618 678 1HB PRO 105 1HB PRO 105 0.168 8.510 0.328 679 2HB PRO 105 2HB PRO 105 0.470 8.821 2.036 680 1HG PRO 105 1HG PRO 105 0.665 10.632 -0.284 681 2HG PRO 105 2HG PRO 105 0.498 11.053 1.459 682 1HD PRO 105 1HD PRO 105 2.834 11.198 -0.191 683 2HD PRO 105 2HD PRO 105 2.757 11.471 1.553 684 H GLU 106 H GLU 106 0.570 6.740 -0.245 685 HA GLU 106 HA GLU 106 0.507 5.503 -2.028 686 1HB GLU 106 1HB GLU 106 1.820 7.960 -2.905 687 2HB GLU 106 2HB GLU 106 2.293 6.582 -3.915 688 1HG GLU 106 1HG GLU 106 -0.358 6.109 -3.783 689 2HG GLU 106 2HG GLU 106 -0.400 7.862 -3.535 690 HE2 GLU 106 HE2 GLU 106 -0.355 7.943 -7.000 691 H GLY 107 H GLY 107 2.271 4.513 -3.921 692 1HA GLY 107 1HA GLY 107 4.861 3.929 -3.065 693 2HA GLY 107 2HA GLY 107 3.809 2.686 -2.417 694 H VAL 108 H VAL 108 1.903 2.213 -4.321 695 HA VAL 108 HA VAL 108 2.716 2.227 -6.964 696 HB VAL 108 HB VAL 108 4.556 0.871 -6.528 697 1HG1 VAL 108 1HG1 VAL 108 4.296 -1.307 -5.189 698 2HG1 VAL 108 2HG1 VAL 108 4.301 0.222 -4.278 699 3HG1 VAL 108 3HG1 VAL 108 2.765 -0.617 -4.600 700 1HG2 VAL 108 1HG2 VAL 108 3.016 0.050 -8.352 701 2HG2 VAL 108 2HG2 VAL 108 4.117 -1.178 -7.683 702 3HG2 VAL 108 3HG2 VAL 108 2.405 -1.160 -7.197 703 H ALA 109 H ALA 109 0.786 2.086 -7.976 704 HA ALA 109 HA ALA 109 -1.397 0.814 -6.556 705 1HB ALA 109 1HB ALA 109 -2.638 2.369 -7.612 706 2HB ALA 109 2HB ALA 109 -1.110 3.073 -8.192 707 3HB ALA 109 3HB ALA 109 -1.989 1.902 -9.203 708 H ILE 110 H ILE 110 -1.706 -1.340 -6.798 709 HA ILE 110 HA ILE 110 -1.063 -2.467 -9.434 710 HB ILE 110 HB ILE 110 -0.779 -3.568 -6.654 711 1HG1 ILE 110 1HG1 ILE 110 1.286 -4.057 -8.673 712 2HG1 ILE 110 2HG1 ILE 110 1.007 -2.336 -8.350 713 1HG2 ILE 110 1HG2 ILE 110 -0.139 -5.736 -7.931 714 2HG2 ILE 110 2HG2 ILE 110 -1.855 -5.384 -7.611 715 3HG2 ILE 110 3HG2 ILE 110 -1.168 -5.077 -9.225 716 1HD1 ILE 110 1HD1 ILE 110 1.479 -4.450 -6.199 717 2HD1 ILE 110 2HD1 ILE 110 2.744 -3.384 -6.855 718 3HD1 ILE 110 3HD1 ILE 110 1.374 -2.690 -5.956 719 H SER 111 H SER 111 -2.509 -4.150 -10.241 720 HA SER 111 HA SER 111 -5.202 -3.617 -9.316 721 1HB SER 111 1HB SER 111 -3.933 -4.311 -11.890 722 2HB SER 111 2HB SER 111 -5.440 -5.194 -11.588 723 HG SER 111 HG SER 111 -6.370 -3.400 -12.303 724 H PHE 112 H PHE 112 -6.295 -5.128 -8.106 725 HA PHE 112 HA PHE 112 -5.017 -7.702 -7.736 726 1HB PHE 112 1HB PHE 112 -7.596 -6.588 -6.518 727 2HB PHE 112 2HB PHE 112 -6.514 -7.787 -5.799 728 HD1 PHE 112 1HD PHE 112 -6.862 -4.208 -6.661 729 HD2 PHE 112 2HD PHE 112 -4.684 -7.109 -4.460 730 HE1 PHE 112 1HE PHE 112 -5.690 -2.377 -5.407 731 HE2 PHE 112 2HE PHE 112 -3.511 -5.278 -3.206 732 HZ PHE 112 HZ PHE 112 -4.029 -2.934 -3.695 733 H ASN 113 H ASN 113 -5.705 -9.576 -8.668 734 HA ASN 113 HA ASN 113 -6.787 -10.816 -10.115 735 1HB ASN 113 1HB ASN 113 -8.415 -10.320 -7.802 736 2HB ASN 113 2HB ASN 113 -9.513 -10.417 -9.188 737 1HD2 ASN 113 1HD2 ASN 113 -9.859 -12.289 -7.417 738 2HD2 ASN 113 2HD2 ASN 113 -9.208 -13.825 -7.887 Start of MODEL 8 1 H ALA 1 H ALA 1 10.841 5.424 -10.348 2 HA ALA 1 HA ALA 1 13.003 6.402 -9.937 3 1HB ALA 1 1HB ALA 1 12.669 8.520 -11.179 4 2HB ALA 1 2HB ALA 1 11.730 7.187 -11.892 5 3HB ALA 1 3HB ALA 1 10.917 8.410 -10.886 6 H ALA 2 H ALA 2 10.595 6.984 -7.666 7 HA ALA 2 HA ALA 2 12.302 8.960 -6.317 8 1HB ALA 2 1HB ALA 2 10.509 10.283 -5.859 9 2HB ALA 2 2HB ALA 2 9.783 9.468 -7.265 10 3HB ALA 2 3HB ALA 2 9.420 8.896 -5.619 11 HA PRO 3 HA PRO 3 12.062 6.381 -2.830 12 1HB PRO 3 1HB PRO 3 11.242 7.901 -0.712 13 2HB PRO 3 2HB PRO 3 12.881 7.947 -1.355 14 1HG PRO 3 1HG PRO 3 10.661 9.861 -1.685 15 2HG PRO 3 2HG PRO 3 12.425 10.136 -1.922 16 1HD PRO 3 1HD PRO 3 10.392 9.809 -3.913 17 2HD PRO 3 2HD PRO 3 12.134 9.917 -4.193 18 H THR 4 H THR 4 10.851 4.608 -2.727 19 HA THR 4 HA THR 4 8.536 4.505 -1.276 20 HB THR 4 HB THR 4 7.116 5.733 -2.627 21 HG1 THR 4 1HG THR 4 6.110 4.205 -4.044 22 1HG2 THR 4 1HG2 THR 4 8.398 6.773 -4.279 23 2HG2 THR 4 2HG2 THR 4 9.263 5.272 -4.689 24 3HG2 THR 4 3HG2 THR 4 7.610 5.539 -5.292 25 H ALA 5 H ALA 5 7.320 2.428 -1.597 26 HA ALA 5 HA ALA 5 9.224 0.448 -2.618 27 1HB ALA 5 1HB ALA 5 8.782 0.126 -0.297 28 2HB ALA 5 2HB ALA 5 7.035 0.386 -0.515 29 3HB ALA 5 3HB ALA 5 7.800 -1.093 -1.143 30 H THR 6 H THR 6 8.225 -1.534 -3.645 31 HA THR 6 HA THR 6 5.603 -1.131 -4.805 32 HB THR 6 HB THR 6 6.377 -1.056 -7.092 33 HG1 THR 6 1HG THR 6 8.198 -2.308 -7.304 34 1HG2 THR 6 1HG2 THR 6 8.377 0.605 -5.469 35 2HG2 THR 6 2HG2 THR 6 7.972 0.845 -7.187 36 3HG2 THR 6 3HG2 THR 6 6.747 1.151 -5.932 37 H VAL 7 H VAL 7 4.822 -3.063 -5.956 38 HA VAL 7 HA VAL 7 5.970 -5.419 -4.680 39 HB VAL 7 HB VAL 7 3.422 -5.346 -6.261 40 1HG1 VAL 7 1HG1 VAL 7 3.057 -7.356 -5.345 41 2HG1 VAL 7 2HG1 VAL 7 4.757 -7.314 -4.816 42 3HG1 VAL 7 3HG1 VAL 7 3.468 -6.774 -3.713 43 1HG2 VAL 7 1HG2 VAL 7 3.108 -3.432 -4.891 44 2HG2 VAL 7 2HG2 VAL 7 2.265 -4.767 -4.069 45 3HG2 VAL 7 3HG2 VAL 7 3.855 -4.224 -3.481 46 H THR 8 H THR 8 7.025 -7.008 -5.800 47 HA THR 8 HA THR 8 8.254 -6.636 -8.139 48 HB THR 8 HB THR 8 7.393 -8.938 -6.489 49 HG1 THR 8 1HG THR 8 9.661 -9.272 -6.820 50 1HG2 THR 8 1HG2 THR 8 7.888 -10.663 -8.134 51 2HG2 THR 8 2HG2 THR 8 6.593 -9.657 -8.827 52 3HG2 THR 8 3HG2 THR 8 8.274 -9.446 -9.374 53 HA PRO 9 HA PRO 9 4.627 -8.174 -10.689 54 1HB PRO 9 1HB PRO 9 2.233 -8.766 -9.510 55 2HB PRO 9 2HB PRO 9 3.459 -9.982 -9.869 56 1HG PRO 9 1HG PRO 9 2.726 -8.726 -7.302 57 2HG PRO 9 2HG PRO 9 3.607 -10.270 -7.586 58 1HD PRO 9 1HD PRO 9 4.665 -7.746 -6.747 59 2HD PRO 9 2HD PRO 9 5.594 -9.191 -7.167 60 H SER 10 H SER 10 1.904 -7.523 -10.903 61 HA SER 10 HA SER 10 1.730 -4.827 -9.983 62 1HB SER 10 1HB SER 10 1.434 -3.854 -12.244 63 2HB SER 10 2HB SER 10 3.070 -4.494 -12.014 64 HG SER 10 HG SER 10 1.968 -5.028 -14.100 65 H SER 11 H SER 11 0.328 -7.486 -9.765 66 HA SER 11 HA SER 11 -2.278 -6.482 -10.110 67 1HB SER 11 1HB SER 11 -1.946 -9.031 -11.637 68 2HB SER 11 2HB SER 11 -3.098 -7.709 -11.891 69 HG SER 11 HG SER 11 -1.353 -6.453 -12.802 70 H GLY 12 H GLY 12 -1.246 -7.103 -7.766 71 1HA GLY 12 1HA GLY 12 -0.915 -9.607 -6.814 72 2HA GLY 12 2HA GLY 12 -1.714 -8.326 -5.923 73 H LEU 13 H LEU 13 -3.907 -8.196 -8.092 74 HA LEU 13 HA LEU 13 -6.027 -8.903 -8.063 75 1HB LEU 13 1HB LEU 13 -4.670 -11.526 -8.659 76 2HB LEU 13 2HB LEU 13 -6.322 -11.063 -9.103 77 HG LEU 13 HG LEU 13 -4.270 -9.220 -10.106 78 1HD1 LEU 13 1HD1 LEU 13 -3.191 -10.607 -11.669 79 2HD1 LEU 13 2HD1 LEU 13 -3.087 -11.478 -10.120 80 3HD1 LEU 13 3HD1 LEU 13 -4.282 -11.975 -11.341 81 1HD2 LEU 13 1HD2 LEU 13 -5.601 -10.012 -12.277 82 2HD2 LEU 13 2HD2 LEU 13 -6.768 -10.544 -11.043 83 3HD2 LEU 13 3HD2 LEU 13 -6.267 -8.837 -11.118 84 H SER 14 H SER 14 -4.846 -12.085 -6.922 85 HA SER 14 HA SER 14 -6.724 -12.671 -5.221 86 1HB SER 14 1HB SER 14 -4.059 -13.477 -5.609 87 2HB SER 14 2HB SER 14 -4.181 -13.183 -3.866 88 HG SER 14 HG SER 14 -4.746 -15.396 -4.598 89 H ASP 15 H ASP 15 -7.747 -11.667 -3.530 90 HA ASP 15 HA ASP 15 -6.853 -9.284 -2.500 91 1HB ASP 15 1HB ASP 15 -8.670 -9.472 -0.930 92 2HB ASP 15 2HB ASP 15 -9.213 -10.221 -2.439 93 HD2 ASP 15 HD2 ASP 15 -9.151 -13.419 -0.922 94 H GLY 16 H GLY 16 -4.984 -9.050 -1.255 95 1HA GLY 16 1HA GLY 16 -3.798 -9.256 0.708 96 2HA GLY 16 2HA GLY 16 -4.674 -10.719 1.111 97 H THR 17 H THR 17 -3.226 -10.187 -2.114 98 HA THR 17 HA THR 17 -1.756 -12.617 -1.908 99 HB THR 17 HB THR 17 -2.788 -11.784 -4.017 100 HG1 THR 17 1HG THR 17 -0.840 -13.081 -4.145 101 1HG2 THR 17 1HG2 THR 17 -1.390 -9.329 -3.280 102 2HG2 THR 17 2HG2 THR 17 -0.803 -9.907 -4.858 103 3HG2 THR 17 3HG2 THR 17 -2.539 -9.592 -4.614 104 H VAL 18 H VAL 18 -0.261 -12.602 -0.257 105 HA VAL 18 HA VAL 18 1.526 -10.384 0.023 106 HB VAL 18 HB VAL 18 1.856 -13.107 1.254 107 1HG1 VAL 18 1HG1 VAL 18 2.336 -11.289 3.209 108 2HG1 VAL 18 2HG1 VAL 18 3.584 -11.911 2.102 109 3HG1 VAL 18 3HG1 VAL 18 2.804 -10.345 1.775 110 1HG2 VAL 18 1HG2 VAL 18 -0.388 -12.855 1.755 111 2HG2 VAL 18 2HG2 VAL 18 0.372 -12.030 3.137 112 3HG2 VAL 18 3HG2 VAL 18 -0.296 -11.079 1.788 113 H VAL 19 H VAL 19 2.706 -10.093 -1.881 114 HA VAL 19 HA VAL 19 4.327 -12.406 -2.689 115 HB VAL 19 HB VAL 19 4.437 -11.407 -4.875 116 1HG1 VAL 19 1HG1 VAL 19 1.515 -11.149 -4.283 117 2HG1 VAL 19 2HG1 VAL 19 2.348 -12.039 -5.580 118 3HG1 VAL 19 3HG1 VAL 19 2.312 -12.699 -3.927 119 1HG2 VAL 19 1HG2 VAL 19 2.491 -9.238 -4.172 120 2HG2 VAL 19 2HG2 VAL 19 4.213 -9.001 -3.790 121 3HG2 VAL 19 3HG2 VAL 19 3.709 -9.308 -5.469 122 H LYS 20 H LYS 20 6.435 -11.392 -3.934 123 HA LYS 20 HA LYS 20 7.918 -10.224 -1.825 124 1HB LYS 20 1HB LYS 20 8.425 -11.220 -4.573 125 2HB LYS 20 2HB LYS 20 9.592 -10.056 -3.920 126 1HG LYS 20 1HG LYS 20 9.832 -11.490 -1.891 127 2HG LYS 20 2HG LYS 20 8.715 -12.668 -2.599 128 1HD LYS 20 1HD LYS 20 10.252 -13.070 -4.453 129 2HD LYS 20 2HD LYS 20 11.334 -11.781 -3.897 130 1HE LYS 20 1HE LYS 20 11.657 -13.080 -1.757 131 2HE LYS 20 2HE LYS 20 10.693 -14.394 -2.447 132 1HZ LYS 20 1HZ LYS 20 12.567 -15.080 -3.347 133 2HZ LYS 20 2HZ LYS 20 12.576 -13.766 -4.318 134 3HZ LYS 20 3HZ LYS 20 13.387 -13.739 -2.901 135 H VAL 21 H VAL 21 8.698 -8.123 -1.555 136 HA VAL 21 HA VAL 21 7.931 -6.167 -3.571 137 HB VAL 21 HB VAL 21 7.073 -6.120 -0.675 138 1HG1 VAL 21 1HG1 VAL 21 6.126 -3.871 -2.235 139 2HG1 VAL 21 2HG1 VAL 21 7.004 -3.887 -0.686 140 3HG1 VAL 21 3HG1 VAL 21 7.905 -3.918 -2.221 141 1HG2 VAL 21 1HG2 VAL 21 4.897 -5.483 -2.241 142 2HG2 VAL 21 2HG2 VAL 21 5.744 -6.693 -3.234 143 3HG2 VAL 21 3HG2 VAL 21 5.255 -7.092 -1.570 144 H ALA 22 H ALA 22 9.370 -4.428 -3.699 145 HA ALA 22 HA ALA 22 11.416 -4.261 -1.628 146 1HB ALA 22 1HB ALA 22 12.167 -4.350 -4.563 147 2HB ALA 22 2HB ALA 22 13.222 -4.508 -3.139 148 3HB ALA 22 3HB ALA 22 12.104 -5.825 -3.568 149 H GLY 23 H GLY 23 12.580 -2.180 -1.693 150 1HA GLY 23 1HA GLY 23 12.836 -0.024 -2.682 151 2HA GLY 23 2HA GLY 23 11.202 -0.128 -3.306 152 H ALA 24 H ALA 24 11.644 2.151 -1.994 153 HA ALA 24 HA ALA 24 9.776 2.530 -0.203 154 1HB ALA 24 1HB ALA 24 11.151 2.296 2.048 155 2HB ALA 24 2HB ALA 24 10.284 0.898 1.370 156 3HB ALA 24 3HB ALA 24 12.040 1.060 1.128 157 H GLY 25 H GLY 25 11.078 4.032 1.904 158 1HA GLY 25 1HA GLY 25 11.682 6.396 0.517 159 2HA GLY 25 2HA GLY 25 11.929 6.087 2.224 160 H LEU 26 H LEU 26 13.538 3.584 0.720 161 HA LEU 26 HA LEU 26 15.698 3.108 0.570 162 1HB LEU 26 1HB LEU 26 15.401 3.962 -1.601 163 2HB LEU 26 2HB LEU 26 15.534 5.642 -1.052 164 HG LEU 26 HG LEU 26 17.955 4.610 -0.294 165 1HD1 LEU 26 1HD1 LEU 26 17.513 2.459 -1.364 166 2HD1 LEU 26 2HD1 LEU 26 17.233 3.278 -2.919 167 3HD1 LEU 26 3HD1 LEU 26 18.847 3.319 -2.170 168 1HD2 LEU 26 1HD2 LEU 26 18.894 5.919 -2.053 169 2HD2 LEU 26 2HD2 LEU 26 17.401 5.810 -3.017 170 3HD2 LEU 26 3HD2 LEU 26 17.416 6.743 -1.501 171 H GLN 27 H GLN 27 15.474 3.673 3.054 172 HA GLN 27 HA GLN 27 17.080 5.984 3.694 173 1HB GLN 27 1HB GLN 27 15.079 5.682 5.014 174 2HB GLN 27 2HB GLN 27 15.517 4.013 5.415 175 1HG GLN 27 1HG GLN 27 16.376 4.935 7.309 176 2HG GLN 27 2HG GLN 27 17.746 5.387 6.284 177 1HE2 GLN 27 1HE2 GLN 27 16.942 6.722 8.624 178 2HE2 GLN 27 2HE2 GLN 27 16.430 8.328 8.223 179 H ALA 28 H ALA 28 17.187 3.202 5.844 180 HA ALA 28 HA ALA 28 19.421 1.899 4.803 181 1HB ALA 28 1HB ALA 28 21.161 2.773 6.358 182 2HB ALA 28 2HB ALA 28 20.606 4.002 5.197 183 3HB ALA 28 3HB ALA 28 20.027 4.042 6.880 184 H GLY 29 H GLY 29 18.322 0.045 5.474 185 1HA GLY 29 1HA GLY 29 17.516 -1.513 6.883 186 2HA GLY 29 2HA GLY 29 18.780 -0.981 7.975 187 H THR 30 H THR 30 16.420 1.436 7.007 188 HA THR 30 HA THR 30 15.487 1.598 9.736 189 HB THR 30 HB THR 30 15.384 3.245 7.204 190 HG1 THR 30 1HG THR 30 15.821 3.600 10.087 191 1HG2 THR 30 1HG2 THR 30 13.813 4.826 8.280 192 2HG2 THR 30 2HG2 THR 30 13.004 3.256 8.060 193 3HG2 THR 30 3HG2 THR 30 13.619 3.724 9.663 194 H ALA 31 H ALA 31 13.180 1.730 10.299 195 HA ALA 31 HA ALA 31 11.833 -0.538 9.233 196 1HB ALA 31 1HB ALA 31 10.393 1.443 10.939 197 2HB ALA 31 2HB ALA 31 10.521 -0.325 11.097 198 3HB ALA 31 3HB ALA 31 11.862 0.716 11.633 199 H TYR 32 H TYR 32 9.823 -0.586 8.076 200 HA TYR 32 HA TYR 32 8.933 1.957 6.962 201 1HB TYR 32 1HB TYR 32 10.169 -0.472 5.610 202 2HB TYR 32 2HB TYR 32 8.887 0.378 4.740 203 HD1 TYR 32 1HD TYR 32 9.709 3.185 5.844 204 HD2 TYR 32 2HD TYR 32 11.894 0.003 3.999 205 HE1 TYR 32 1HE TYR 32 11.424 4.852 4.982 206 HE2 TYR 32 2HE TYR 32 13.602 1.681 3.143 207 HH TYR 32 HH TYR 32 13.402 5.086 4.068 208 H ASP 33 H ASP 33 7.123 1.498 8.454 209 HA ASP 33 HA ASP 33 5.674 -0.771 8.509 210 1HB ASP 33 1HB ASP 33 5.429 1.771 9.525 211 2HB ASP 33 2HB ASP 33 4.050 1.729 8.416 212 HD2 ASP 33 HD2 ASP 33 3.911 -0.318 11.788 213 H VAL 34 H VAL 34 4.681 -1.898 6.831 214 HA VAL 34 HA VAL 34 4.381 -0.854 4.272 215 HB VAL 34 HB VAL 34 3.189 -3.226 5.704 216 1HG1 VAL 34 1HG1 VAL 34 2.548 -4.087 3.461 217 2HG1 VAL 34 2HG1 VAL 34 1.628 -2.642 3.943 218 3HG1 VAL 34 3HG1 VAL 34 2.954 -2.501 2.765 219 1HG2 VAL 34 1HG2 VAL 34 5.681 -3.093 5.248 220 2HG2 VAL 34 2HG2 VAL 34 4.844 -4.511 4.572 221 3HG2 VAL 34 3HG2 VAL 34 5.283 -3.149 3.514 222 H GLY 35 H GLY 35 2.541 -0.137 3.085 223 1HA GLY 35 1HA GLY 35 0.242 0.656 4.771 224 2HA GLY 35 2HA GLY 35 0.995 1.755 3.632 225 H GLN 36 H GLN 36 -1.308 1.794 2.752 226 HA GLN 36 HA GLN 36 -1.443 0.576 0.361 227 1HB GLN 36 1HB GLN 36 -2.273 -1.248 2.512 228 2HB GLN 36 2HB GLN 36 -3.519 -1.051 1.266 229 1HG GLN 36 1HG GLN 36 -1.097 -1.298 -0.154 230 2HG GLN 36 2HG GLN 36 -0.964 -2.486 1.151 231 1HE2 GLN 36 1HE2 GLN 36 -3.012 -1.296 -1.472 232 2HE2 GLN 36 2HE2 GLN 36 -3.829 -2.782 -1.822 233 H CYS 37 H CYS 37 -2.649 2.143 -0.611 234 HA CYS 37 HA CYS 37 -5.120 2.916 0.755 235 1HB CYS 37 1HB CYS 37 -3.461 4.838 -0.842 236 2HB CYS 37 2HB CYS 37 -4.818 5.192 0.241 237 H ALA 38 H ALA 38 -6.605 4.108 -0.987 238 HA ALA 38 HA ALA 38 -6.175 2.967 -3.639 239 1HB ALA 38 1HB ALA 38 -8.882 2.759 -2.314 240 2HB ALA 38 2HB ALA 38 -8.232 1.848 -3.698 241 3HB ALA 38 3HB ALA 38 -7.654 1.499 -2.051 242 H TRP 39 H TRP 39 -6.511 4.499 -5.177 243 HA TRP 39 HA TRP 39 -7.759 6.983 -4.298 244 1HB TRP 39 1HB TRP 39 -5.859 7.649 -5.274 245 2HB TRP 39 2HB TRP 39 -5.724 6.212 -6.289 246 HD1 TRP 39 HD TRP 39 -7.401 9.698 -6.272 247 HE1 TRP 39 1HE TRP 39 -8.097 10.427 -8.712 248 HE3 TRP 39 3HE TRP 39 -6.289 5.256 -8.483 249 HZ2 TRP 39 2HZ TRP 39 -8.105 9.094 -11.234 250 HZ3 TRP 39 3HZ TRP 39 -6.671 5.053 -10.938 251 HH2 TRP 39 HH TRP 39 -7.546 6.880 -12.306 252 H VAL 40 H VAL 40 -9.835 7.470 -4.893 253 HA VAL 40 HA VAL 40 -11.019 5.777 -6.980 254 HB VAL 40 HB VAL 40 -12.359 7.272 -4.719 255 1HG1 VAL 40 1HG1 VAL 40 -13.386 6.122 -7.123 256 2HG1 VAL 40 2HG1 VAL 40 -13.922 5.116 -5.756 257 3HG1 VAL 40 3HG1 VAL 40 -14.279 6.859 -5.772 258 1HG2 VAL 40 1HG2 VAL 40 -12.094 5.504 -3.359 259 2HG2 VAL 40 2HG2 VAL 40 -12.438 4.338 -4.658 260 3HG2 VAL 40 3HG2 VAL 40 -10.799 5.006 -4.474 261 H ASP 41 H ASP 41 -10.250 9.052 -5.891 262 HA ASP 41 HA ASP 41 -10.519 10.080 -8.427 263 1HB ASP 41 1HB ASP 41 -13.010 9.904 -7.024 264 2HB ASP 41 2HB ASP 41 -12.560 11.616 -7.058 265 HD2 ASP 41 HD2 ASP 41 -12.680 10.294 -10.749 266 H THR 42 H THR 42 -10.620 12.724 -8.167 267 HA THR 42 HA THR 42 -8.484 13.443 -6.533 268 HB THR 42 HB THR 42 -10.717 15.114 -7.805 269 HG1 THR 42 1HG THR 42 -8.955 15.197 -9.467 270 1HG2 THR 42 1HG2 THR 42 -9.407 17.006 -7.480 271 2HG2 THR 42 2HG2 THR 42 -8.858 16.099 -6.050 272 3HG2 THR 42 3HG2 THR 42 -7.887 16.081 -7.542 273 H GLY 43 H GLY 43 -8.734 12.708 -4.408 274 1HA GLY 43 1HA GLY 43 -9.103 13.704 -2.274 275 2HA GLY 43 2HA GLY 43 -10.632 14.341 -2.845 276 H VAL 44 H VAL 44 -10.754 11.464 -4.324 277 HA VAL 44 HA VAL 44 -12.172 10.253 -2.083 278 HB VAL 44 HB VAL 44 -12.168 9.259 -4.915 279 1HG1 VAL 44 1HG1 VAL 44 -14.435 9.377 -2.911 280 2HG1 VAL 44 2HG1 VAL 44 -14.310 8.387 -4.385 281 3HG1 VAL 44 3HG1 VAL 44 -13.278 8.027 -2.981 282 1HG2 VAL 44 1HG2 VAL 44 -14.019 10.780 -5.453 283 2HG2 VAL 44 2HG2 VAL 44 -13.836 11.573 -3.869 284 3HG2 VAL 44 3HG2 VAL 44 -12.532 11.682 -5.077 285 H LEU 45 H LEU 45 -9.385 10.261 -1.768 286 HA LEU 45 HA LEU 45 -8.572 7.580 -2.600 287 1HB LEU 45 1HB LEU 45 -6.955 9.086 -3.223 288 2HB LEU 45 2HB LEU 45 -7.120 10.059 -1.750 289 HG LEU 45 HG LEU 45 -4.992 8.692 -2.037 290 1HD1 LEU 45 1HD1 LEU 45 -6.257 7.853 0.526 291 2HD1 LEU 45 2HD1 LEU 45 -4.696 8.650 0.216 292 3HD1 LEU 45 3HD1 LEU 45 -6.204 9.594 0.162 293 1HD2 LEU 45 1HD2 LEU 45 -6.774 6.379 -1.234 294 2HD2 LEU 45 2HD2 LEU 45 -6.147 6.645 -2.878 295 3HD2 LEU 45 3HD2 LEU 45 -5.019 6.349 -1.532 296 H ALA 46 H ALA 46 -9.328 6.049 -1.217 297 HA ALA 46 HA ALA 46 -9.406 6.702 1.624 298 1HB ALA 46 1HB ALA 46 -10.405 4.228 0.161 299 2HB ALA 46 2HB ALA 46 -10.819 4.752 1.811 300 3HB ALA 46 3HB ALA 46 -11.379 5.696 0.410 301 H CYS 47 H CYS 47 -7.654 6.247 2.850 302 HA CYS 47 HA CYS 47 -5.682 4.433 1.808 303 1HB CYS 47 1HB CYS 47 -5.500 6.714 3.213 304 2HB CYS 47 2HB CYS 47 -5.381 5.542 4.535 305 H ASN 48 H ASN 48 -4.776 2.695 3.355 306 HA ASN 48 HA ASN 48 -7.036 1.494 4.749 307 1HB ASN 48 1HB ASN 48 -5.995 0.291 2.723 308 2HB ASN 48 2HB ASN 48 -4.547 0.051 3.710 309 1HD2 ASN 48 1HD2 ASN 48 -8.088 -0.182 4.081 310 2HD2 ASN 48 2HD2 ASN 48 -8.125 -1.741 4.836 311 HA PRO 49 HA PRO 49 -3.986 2.421 7.961 312 1HB PRO 49 1HB PRO 49 -5.774 3.064 9.925 313 2HB PRO 49 2HB PRO 49 -5.075 4.255 8.829 314 1HG PRO 49 1HG PRO 49 -7.761 3.033 8.839 315 2HG PRO 49 2HG PRO 49 -7.224 4.559 8.048 316 1HD PRO 49 1HD PRO 49 -7.768 2.021 6.839 317 2HD PRO 49 2HD PRO 49 -7.089 3.447 6.040 318 H ALA 50 H ALA 50 -4.751 -0.162 7.105 319 HA ALA 50 HA ALA 50 -4.692 -1.429 9.746 320 1HB ALA 50 1HB ALA 50 -6.706 -1.721 7.579 321 2HB ALA 50 2HB ALA 50 -6.103 -3.243 8.276 322 3HB ALA 50 3HB ALA 50 -6.854 -2.020 9.328 323 H ASP 51 H ASP 51 -3.058 -0.715 6.999 324 HA ASP 51 HA ASP 51 -2.253 -2.917 5.768 325 1HB ASP 51 1HB ASP 51 0.144 -1.791 5.924 326 2HB ASP 51 2HB ASP 51 -1.161 -0.992 5.036 327 HD2 ASP 51 HD2 ASP 51 -1.081 1.725 7.118 328 H PHE 52 H PHE 52 -0.921 -1.621 8.903 329 HA PHE 52 HA PHE 52 0.120 -2.585 10.590 330 1HB PHE 52 1HB PHE 52 -1.144 -5.025 9.230 331 2HB PHE 52 2HB PHE 52 -0.267 -5.177 10.756 332 HD1 PHE 52 1HD PHE 52 -1.172 -2.749 12.173 333 HD2 PHE 52 2HD PHE 52 -3.348 -5.492 9.774 334 HE1 PHE 52 1HE PHE 52 -3.273 -2.176 13.422 335 HE2 PHE 52 2HE PHE 52 -5.448 -4.918 11.022 336 HZ PHE 52 HZ PHE 52 -5.386 -3.267 12.830 337 H SER 53 H SER 53 0.482 -4.829 7.745 338 HA SER 53 HA SER 53 2.729 -6.024 8.171 339 1HB SER 53 1HB SER 53 1.667 -4.657 5.736 340 2HB SER 53 2HB SER 53 3.336 -5.246 5.645 341 HG SER 53 HG SER 53 2.432 -7.133 5.197 342 H SER 54 H SER 54 5.043 -5.660 8.038 343 HA SER 54 HA SER 54 5.837 -2.884 7.859 344 1HB SER 54 1HB SER 54 7.383 -3.352 9.891 345 2HB SER 54 2HB SER 54 5.672 -3.008 10.210 346 HG SER 54 HG SER 54 7.104 -5.493 10.347 347 H VAL 55 H VAL 55 7.882 -2.629 6.891 348 HA VAL 55 HA VAL 55 9.368 -5.116 6.409 349 HB VAL 55 HB VAL 55 8.233 -4.654 4.390 350 1HG1 VAL 55 1HG1 VAL 55 7.360 -2.539 4.387 351 2HG1 VAL 55 2HG1 VAL 55 8.843 -1.802 5.042 352 3HG1 VAL 55 3HG1 VAL 55 8.762 -2.262 3.325 353 1HG2 VAL 55 1HG2 VAL 55 10.053 -4.182 2.827 354 2HG2 VAL 55 2HG2 VAL 55 11.029 -3.491 4.146 355 3HG2 VAL 55 3HG2 VAL 55 10.621 -5.224 4.155 356 H THR 56 H THR 56 11.717 -4.608 5.751 357 HA THR 56 HA THR 56 12.623 -2.204 7.193 358 HB THR 56 HB THR 56 13.389 -5.119 7.435 359 HG1 THR 56 1HG THR 56 13.460 -2.791 9.212 360 1HG2 THR 56 1HG2 THR 56 15.240 -2.722 7.893 361 2HG2 THR 56 2HG2 THR 56 15.503 -4.330 8.608 362 3HG2 THR 56 3HG2 THR 56 15.560 -4.121 6.841 363 H ALA 57 H ALA 57 14.564 -1.212 6.434 364 HA ALA 57 HA ALA 57 14.791 -1.451 3.578 365 1HB ALA 57 1HB ALA 57 16.728 0.334 4.471 366 2HB ALA 57 2HB ALA 57 15.069 0.753 3.983 367 3HB ALA 57 3HB ALA 57 15.448 0.473 5.699 368 H ASP 58 H ASP 58 17.155 -1.385 2.652 369 HA ASP 58 HA ASP 58 18.743 -3.300 4.168 370 1HB ASP 58 1HB ASP 58 19.455 -4.136 1.813 371 2HB ASP 58 2HB ASP 58 17.875 -4.644 2.425 372 HD2 ASP 58 HD2 ASP 58 16.824 -3.660 -0.709 373 H ALA 59 H ALA 59 20.779 -2.414 4.552 374 HA ALA 59 HA ALA 59 22.288 -0.714 4.523 375 1HB ALA 59 1HB ALA 59 23.635 -2.256 3.482 376 2HB ALA 59 2HB ALA 59 22.510 -2.483 2.122 377 3HB ALA 59 3HB ALA 59 23.565 -1.051 2.174 378 H ASN 60 H ASN 60 21.809 -0.578 0.981 379 HA ASN 60 HA ASN 60 22.025 1.988 0.607 380 1HB ASN 60 1HB ASN 60 20.521 -0.161 -0.706 381 2HB ASN 60 2HB ASN 60 19.745 1.407 -0.980 382 1HD2 ASN 60 1HD2 ASN 60 20.290 1.229 -3.179 383 2HD2 ASN 60 2HD2 ASN 60 21.883 1.574 -3.765 384 H GLY 61 H GLY 61 18.988 0.313 1.677 385 1HA GLY 61 1HA GLY 61 17.804 1.585 3.467 386 2HA GLY 61 2HA GLY 61 17.845 2.952 2.372 387 H SER 62 H SER 62 17.608 0.197 0.439 388 HA SER 62 HA SER 62 14.876 0.778 -0.090 389 1HB SER 62 1HB SER 62 16.335 0.317 -1.953 390 2HB SER 62 2HB SER 62 16.843 -1.233 -1.260 391 HG SER 62 HG SER 62 14.085 -1.053 -1.554 392 H ALA 63 H ALA 63 13.060 -0.508 0.392 393 HA ALA 63 HA ALA 63 13.410 -2.382 2.521 394 1HB ALA 63 1HB ALA 63 11.456 -0.637 1.829 395 2HB ALA 63 2HB ALA 63 10.798 -2.123 1.103 396 3HB ALA 63 3HB ALA 63 11.165 -2.070 2.844 397 H SER 64 H SER 64 12.675 -4.637 2.472 398 HA SER 64 HA SER 64 12.255 -5.788 -0.103 399 1HB SER 64 1HB SER 64 14.801 -6.272 1.469 400 2HB SER 64 2HB SER 64 14.190 -7.467 0.311 401 HG SER 64 HG SER 64 15.806 -5.614 -0.340 402 H THR 65 H THR 65 10.443 -6.967 0.427 403 HA THR 65 HA THR 65 10.585 -9.204 2.069 404 HB THR 65 HB THR 65 10.677 -7.131 3.749 405 HG1 THR 65 1HG THR 65 9.504 -8.615 5.173 406 1HG2 THR 65 1HG2 THR 65 7.693 -7.463 3.136 407 2HG2 THR 65 2HG2 THR 65 8.347 -6.632 4.568 408 3HG2 THR 65 3HG2 THR 65 8.637 -5.967 2.943 409 H SER 66 H SER 66 8.143 -9.891 2.694 410 HA SER 66 HA SER 66 6.795 -9.619 0.158 411 1HB SER 66 1HB SER 66 5.900 -11.382 2.446 412 2HB SER 66 2HB SER 66 5.643 -11.619 0.708 413 HG SER 66 HG SER 66 7.621 -12.602 2.262 414 H LEU 67 H LEU 67 5.044 -8.275 -0.102 415 HA LEU 67 HA LEU 67 3.715 -7.374 2.360 416 1HB LEU 67 1HB LEU 67 4.627 -5.961 -0.082 417 2HB LEU 67 2HB LEU 67 3.108 -5.422 0.658 418 HG LEU 67 HG LEU 67 4.224 -4.876 2.705 419 1HD1 LEU 67 1HD1 LEU 67 6.926 -5.159 2.437 420 2HD1 LEU 67 2HD1 LEU 67 5.862 -6.273 3.328 421 3HD1 LEU 67 3HD1 LEU 67 6.330 -6.639 1.650 422 1HD2 LEU 67 1HD2 LEU 67 5.201 -3.795 0.147 423 2HD2 LEU 67 2HD2 LEU 67 4.538 -2.965 1.574 424 3HD2 LEU 67 3HD2 LEU 67 6.247 -3.459 1.547 425 H THR 68 H THR 68 1.416 -7.211 2.343 426 HA THR 68 HA THR 68 0.205 -9.047 0.436 427 HB THR 68 HB THR 68 -0.204 -9.364 2.857 428 HG1 THR 68 1HG THR 68 -2.376 -8.110 1.329 429 1HG2 THR 68 1HG2 THR 68 -0.394 -6.487 2.873 430 2HG2 THR 68 2HG2 THR 68 -1.997 -7.134 3.303 431 3HG2 THR 68 3HG2 THR 68 -0.566 -7.596 4.255 432 H VAL 69 H VAL 69 -0.647 -8.362 -1.415 433 HA VAL 69 HA VAL 69 -1.275 -5.548 -1.672 434 HB VAL 69 HB VAL 69 -1.705 -7.569 -3.828 435 1HG1 VAL 69 1HG1 VAL 69 -1.988 -5.646 -4.934 436 2HG1 VAL 69 2HG1 VAL 69 -1.353 -4.688 -3.575 437 3HG1 VAL 69 3HG1 VAL 69 -0.234 -5.390 -4.768 438 1HG2 VAL 69 1HG2 VAL 69 0.849 -7.116 -2.429 439 2HG2 VAL 69 2HG2 VAL 69 0.350 -8.436 -3.515 440 3HG2 VAL 69 3HG2 VAL 69 0.932 -6.897 -4.194 441 H ARG 70 H ARG 70 -2.980 -6.159 0.173 442 HA ARG 70 HA ARG 70 -5.138 -7.614 -0.143 443 1HB ARG 70 1HB ARG 70 -5.154 -4.687 0.729 444 2HB ARG 70 2HB ARG 70 -6.401 -5.874 1.144 445 1HG ARG 70 1HG ARG 70 -5.176 -6.587 2.892 446 2HG ARG 70 2HG ARG 70 -3.798 -6.945 1.834 447 1HD ARG 70 1HD ARG 70 -4.198 -4.060 2.367 448 2HD ARG 70 2HD ARG 70 -3.840 -5.004 3.821 449 HE ARG 70 HE ARG 70 -2.041 -5.768 1.721 450 1HH1 ARG 70 1HH1 ARG 70 -2.695 -3.072 3.885 451 2HH1 ARG 70 2HH1 ARG 70 -1.055 -2.510 3.888 452 1HH2 ARG 70 1HH2 ARG 70 0.120 -5.029 1.724 453 2HH2 ARG 70 2HH2 ARG 70 0.556 -3.630 2.650 454 H ARG 71 H ARG 71 -7.011 -7.701 -1.419 455 HA ARG 71 HA ARG 71 -7.007 -5.924 -3.668 456 1HB ARG 71 1HB ARG 71 -7.347 -8.271 -4.146 457 2HB ARG 71 2HB ARG 71 -8.650 -8.399 -2.951 458 1HG ARG 71 1HG ARG 71 -9.603 -6.389 -4.551 459 2HG ARG 71 2HG ARG 71 -8.701 -7.345 -5.742 460 1HD ARG 71 1HD ARG 71 -10.496 -8.716 -5.837 461 2HD ARG 71 2HD ARG 71 -10.101 -9.251 -4.197 462 HE ARG 71 HE ARG 71 -11.625 -6.754 -4.278 463 1HH1 ARG 71 1HH1 ARG 71 -11.863 -10.265 -4.283 464 2HH1 ARG 71 2HH1 ARG 71 -13.481 -10.284 -3.666 465 1HH2 ARG 71 1HH2 ARG 71 -13.761 -6.778 -3.464 466 2HH2 ARG 71 2HH2 ARG 71 -14.568 -8.287 -3.198 467 H SER 72 H SER 72 -9.435 -7.134 -1.227 468 HA SER 72 HA SER 72 -10.749 -4.546 -1.518 469 1HB SER 72 1HB SER 72 -12.880 -5.705 -0.966 470 2HB SER 72 2HB SER 72 -12.156 -6.312 -2.467 471 HG SER 72 HG SER 72 -12.230 -8.247 -1.571 472 H PHE 73 H PHE 73 -11.422 -3.500 0.426 473 HA PHE 73 HA PHE 73 -11.485 -4.766 2.911 474 1HB PHE 73 1HB PHE 73 -9.382 -3.639 3.818 475 2HB PHE 73 2HB PHE 73 -9.027 -4.894 2.625 476 HD1 PHE 73 1HD PHE 73 -7.665 -4.384 0.814 477 HD2 PHE 73 2HD PHE 73 -9.526 -1.213 2.934 478 HE1 PHE 73 1HE PHE 73 -6.353 -2.717 -0.528 479 HE2 PHE 73 2HE PHE 73 -8.214 0.453 1.592 480 HZ PHE 73 HZ PHE 73 -6.643 -0.318 -0.123 481 H GLU 74 H GLU 74 -10.974 -2.762 4.695 482 HA GLU 74 HA GLU 74 -12.653 -0.624 3.643 483 1HB GLU 74 1HB GLU 74 -13.819 -1.713 5.397 484 2HB GLU 74 2HB GLU 74 -12.375 -1.823 6.420 485 1HG GLU 74 1HG GLU 74 -13.187 0.926 5.607 486 2HG GLU 74 2HG GLU 74 -14.313 0.099 6.692 487 HE2 GLU 74 HE2 GLU 74 -10.701 0.136 8.294 488 H GLY 75 H GLY 75 -12.068 1.569 4.012 489 1HA GLY 75 1HA GLY 75 -9.573 2.082 5.455 490 2HA GLY 75 2HA GLY 75 -9.618 2.468 3.747 491 H PHE 76 H PHE 76 -9.259 4.740 4.457 492 HA PHE 76 HA PHE 76 -11.829 6.017 4.904 493 1HB PHE 76 1HB PHE 76 -9.522 5.797 6.767 494 2HB PHE 76 2HB PHE 76 -9.964 7.481 6.459 495 HD1 PHE 76 1HD PHE 76 -11.539 4.216 7.359 496 HD2 PHE 76 2HD PHE 76 -11.584 8.437 7.797 497 HE1 PHE 76 1HE PHE 76 -13.389 4.022 9.046 498 HE2 PHE 76 2HE PHE 76 -13.432 8.243 9.483 499 HZ PHE 76 HZ PHE 76 -14.313 6.037 10.087 500 H LEU 77 H LEU 77 -11.999 8.052 3.917 501 HA LEU 77 HA LEU 77 -10.176 8.568 1.847 502 1HB LEU 77 1HB LEU 77 -12.569 9.893 3.013 503 2HB LEU 77 2HB LEU 77 -11.540 10.828 1.914 504 HG LEU 77 HG LEU 77 -13.090 8.296 1.343 505 1HD1 LEU 77 1HD1 LEU 77 -13.379 10.482 -0.537 506 2HD1 LEU 77 2HD1 LEU 77 -14.614 9.617 0.410 507 3HD1 LEU 77 3HD1 LEU 77 -13.755 11.003 1.123 508 1HD2 LEU 77 1HD2 LEU 77 -12.133 8.586 -1.015 509 2HD2 LEU 77 2HD2 LEU 77 -10.867 9.574 -0.247 510 3HD2 LEU 77 3HD2 LEU 77 -11.076 7.871 0.225 511 H PHE 78 H PHE 78 -10.794 10.222 5.017 512 HA PHE 78 HA PHE 78 -9.337 11.246 6.356 513 1HB PHE 78 1HB PHE 78 -7.674 9.696 4.821 514 2HB PHE 78 2HB PHE 78 -7.157 11.289 4.255 515 HD1 PHE 78 1HD PHE 78 -7.157 8.928 7.025 516 HD2 PHE 78 2HD PHE 78 -6.074 12.849 5.812 517 HE1 PHE 78 1HE PHE 78 -5.661 9.135 9.030 518 HE2 PHE 78 2HE PHE 78 -4.577 13.056 7.817 519 HZ PHE 78 HZ PHE 78 -4.389 11.197 9.402 520 H ASP 79 H ASP 79 -10.831 12.317 3.768 521 HA ASP 79 HA ASP 79 -10.255 14.997 4.325 522 1HB ASP 79 1HB ASP 79 -8.346 14.173 2.727 523 2HB ASP 79 2HB ASP 79 -9.592 14.209 1.470 524 HD2 ASP 79 HD2 ASP 79 -8.344 17.416 1.057 525 H GLY 80 H GLY 80 -12.494 13.058 4.168 526 1HA GLY 80 1HA GLY 80 -14.357 14.618 2.677 527 2HA GLY 80 2HA GLY 80 -13.998 13.108 1.863 528 H THR 81 H THR 81 -13.865 11.122 3.580 529 HA THR 81 HA THR 81 -15.474 11.235 5.864 530 HB THR 81 HB THR 81 -16.915 11.196 3.329 531 HG1 THR 81 1HG THR 81 -17.538 10.915 6.186 532 1HG2 THR 81 1HG2 THR 81 -16.680 8.629 3.822 533 2HG2 THR 81 2HG2 THR 81 -17.685 8.961 5.253 534 3HG2 THR 81 3HG2 THR 81 -18.324 9.282 3.623 535 H ARG 82 H ARG 82 -16.215 8.874 6.476 536 HA ARG 82 HA ARG 82 -13.841 7.381 6.316 537 1HB ARG 82 1HB ARG 82 -15.120 5.702 7.667 538 2HB ARG 82 2HB ARG 82 -15.249 7.338 8.339 539 1HG ARG 82 1HG ARG 82 -17.348 6.893 6.386 540 2HG ARG 82 2HG ARG 82 -17.365 5.583 7.581 541 1HD ARG 82 1HD ARG 82 -17.006 8.308 8.712 542 2HD ARG 82 2HD ARG 82 -18.570 8.046 7.924 543 HE ARG 82 HE ARG 82 -18.217 5.789 9.506 544 1HH1 ARG 82 1HH1 ARG 82 -18.198 9.254 10.121 545 2HH1 ARG 82 2HH1 ARG 82 -18.765 9.097 11.751 546 1HH2 ARG 82 1HH2 ARG 82 -18.966 5.582 11.656 547 2HH2 ARG 82 2HH2 ARG 82 -19.205 6.994 12.630 548 H TRP 83 H TRP 83 -13.544 5.238 5.362 549 HA TRP 83 HA TRP 83 -15.205 4.875 2.996 550 1HB TRP 83 1HB TRP 83 -12.477 4.747 3.456 551 2HB TRP 83 2HB TRP 83 -12.959 3.053 3.328 552 HD1 TRP 83 HD TRP 83 -12.115 2.521 0.878 553 HE1 TRP 83 1HE TRP 83 -12.598 3.376 -1.571 554 HE3 TRP 83 3HE TRP 83 -14.881 6.554 2.270 555 HZ2 TRP 83 2HZ TRP 83 -14.050 5.594 -2.627 556 HZ3 TRP 83 3HZ TRP 83 -15.795 8.014 0.467 557 HH2 TRP 83 HH TRP 83 -15.418 7.587 -1.910 558 H GLY 84 H GLY 84 -14.515 1.984 2.838 559 1HA GLY 84 1HA GLY 84 -15.515 0.679 5.176 560 2HA GLY 84 2HA GLY 84 -16.753 0.843 3.947 561 H THR 85 H THR 85 -16.044 -1.712 4.600 562 HA THR 85 HA THR 85 -13.862 -2.752 3.160 563 HB THR 85 HB THR 85 -16.461 -3.955 4.244 564 HG1 THR 85 1HG THR 85 -14.765 -4.614 5.863 565 1HG2 THR 85 1HG2 THR 85 -15.059 -6.097 4.254 566 2HG2 THR 85 2HG2 THR 85 -15.570 -5.569 2.633 567 3HG2 THR 85 3HG2 THR 85 -13.906 -5.264 3.184 568 H VAL 86 H VAL 86 -14.087 -1.474 1.143 569 HA VAL 86 HA VAL 86 -16.087 -2.699 -0.625 570 HB VAL 86 HB VAL 86 -16.139 -0.207 -0.176 571 1HG1 VAL 86 1HG1 VAL 86 -14.527 1.179 -1.448 572 2HG1 VAL 86 2HG1 VAL 86 -13.747 0.242 -0.150 573 3HG1 VAL 86 3HG1 VAL 86 -13.602 -0.290 -1.843 574 1HG2 VAL 86 1HG2 VAL 86 -16.968 0.224 -2.288 575 2HG2 VAL 86 2HG2 VAL 86 -15.669 -0.679 -3.104 576 3HG2 VAL 86 3HG2 VAL 86 -16.978 -1.556 -2.275 577 H ASP 87 H ASP 87 -15.282 -2.855 -2.987 578 HA ASP 87 HA ASP 87 -12.903 -4.379 -2.886 579 1HB ASP 87 1HB ASP 87 -13.344 -4.366 -5.479 580 2HB ASP 87 2HB ASP 87 -14.460 -5.236 -4.416 581 HD2 ASP 87 HD2 ASP 87 -16.744 -3.480 -6.370 582 H CYS 88 H CYS 88 -10.841 -3.508 -3.142 583 HA CYS 88 HA CYS 88 -10.568 -0.785 -3.931 584 1HB CYS 88 1HB CYS 88 -8.642 -0.886 -2.879 585 2HB CYS 88 2HB CYS 88 -9.127 -2.505 -2.346 586 H THR 89 H THR 89 -10.202 -4.038 -5.357 587 HA THR 89 HA THR 89 -8.628 -3.492 -7.544 588 HB THR 89 HB THR 89 -9.271 -5.759 -6.985 589 HG1 THR 89 1HG THR 89 -9.134 -5.316 -9.285 590 1HG2 THR 89 1HG2 THR 89 -11.991 -4.566 -6.868 591 2HG2 THR 89 2HG2 THR 89 -11.924 -6.094 -7.777 592 3HG2 THR 89 3HG2 THR 89 -11.373 -6.041 -6.086 593 H THR 90 H THR 90 -11.970 -2.511 -6.900 594 HA THR 90 HA THR 90 -12.579 -1.877 -9.603 595 HB THR 90 HB THR 90 -13.752 -1.485 -6.855 596 HG1 THR 90 1HG THR 90 -14.484 -3.264 -8.060 597 1HG2 THR 90 1HG2 THR 90 -14.912 -0.125 -9.334 598 2HG2 THR 90 2HG2 THR 90 -15.499 -0.017 -7.657 599 3HG2 THR 90 3HG2 THR 90 -13.971 0.772 -8.117 600 H ALA 91 H ALA 91 -10.738 -0.300 -7.061 601 HA ALA 91 HA ALA 91 -10.582 2.071 -8.797 602 1HB ALA 91 1HB ALA 91 -11.201 3.281 -7.011 603 2HB ALA 91 2HB ALA 91 -11.304 1.804 -6.022 604 3HB ALA 91 3HB ALA 91 -9.767 2.694 -6.135 605 H ALA 92 H ALA 92 -9.061 -0.671 -8.461 606 HA ALA 92 HA ALA 92 -6.944 -1.389 -8.202 607 1HB ALA 92 1HB ALA 92 -5.416 -0.118 -9.815 608 2HB ALA 92 2HB ALA 92 -6.948 -0.719 -10.494 609 3HB ALA 92 3HB ALA 92 -6.776 1.001 -10.069 610 H CYS 93 H CYS 93 -7.002 -0.781 -5.830 611 HA CYS 93 HA CYS 93 -6.036 1.609 -4.880 612 1HB CYS 93 1HB CYS 93 -5.426 0.333 -2.847 613 2HB CYS 93 2HB CYS 93 -7.096 0.101 -3.394 614 H GLN 94 H GLN 94 -3.760 1.078 -3.293 615 HA GLN 94 HA GLN 94 -1.746 0.060 -5.074 616 1HB GLN 94 1HB GLN 94 -0.371 2.098 -4.958 617 2HB GLN 94 2HB GLN 94 -1.923 2.432 -5.747 618 1HG GLN 94 1HG GLN 94 -1.937 2.794 -2.805 619 2HG GLN 94 2HG GLN 94 -0.843 3.895 -3.656 620 1HE2 GLN 94 1HE2 GLN 94 -1.678 5.240 -5.310 621 2HE2 GLN 94 2HE2 GLN 94 -3.341 5.723 -5.336 622 H VAL 95 H VAL 95 0.357 -0.271 -3.953 623 HA VAL 95 HA VAL 95 0.113 -0.105 -1.037 624 HB VAL 95 HB VAL 95 -0.496 -2.355 -1.714 625 1HG1 VAL 95 1HG1 VAL 95 2.256 -2.765 -2.886 626 2HG1 VAL 95 2HG1 VAL 95 0.796 -3.768 -3.063 627 3HG1 VAL 95 3HG1 VAL 95 0.901 -2.195 -3.889 628 1HG2 VAL 95 1HG2 VAL 95 0.899 -1.905 0.353 629 2HG2 VAL 95 2HG2 VAL 95 0.976 -3.566 -0.283 630 3HG2 VAL 95 3HG2 VAL 95 2.316 -2.433 -0.585 631 H GLY 96 H GLY 96 1.884 0.787 -0.076 632 1HA GLY 96 1HA GLY 96 4.459 0.649 -1.458 633 2HA GLY 96 2HA GLY 96 3.769 2.238 -1.189 634 H LEU 97 H LEU 97 6.044 2.142 0.050 635 HA LEU 97 HA LEU 97 5.878 0.869 2.618 636 1HB LEU 97 1HB LEU 97 8.065 1.152 2.692 637 2HB LEU 97 2HB LEU 97 7.918 1.537 0.967 638 HG LEU 97 HG LEU 97 9.359 3.137 2.043 639 1HD1 LEU 97 1HD1 LEU 97 7.062 3.808 0.564 640 2HD1 LEU 97 2HD1 LEU 97 7.201 5.039 1.844 641 3HD1 LEU 97 3HD1 LEU 97 8.565 4.745 0.737 642 1HD2 LEU 97 1HD2 LEU 97 7.937 2.747 4.306 643 2HD2 LEU 97 2HD2 LEU 97 9.035 4.124 4.043 644 3HD2 LEU 97 3HD2 LEU 97 7.283 4.321 3.791 645 H SER 98 H SER 98 5.722 1.921 4.660 646 HA SER 98 HA SER 98 4.940 4.711 4.509 647 1HB SER 98 1HB SER 98 3.123 2.579 4.905 648 2HB SER 98 2HB SER 98 3.340 3.316 6.502 649 HG SER 98 HG SER 98 2.023 4.853 5.830 650 H ASP 99 H ASP 99 6.107 5.877 5.997 651 HA ASP 99 HA ASP 99 7.515 4.361 8.001 652 1HB ASP 99 1HB ASP 99 8.020 7.185 8.189 653 2HB ASP 99 2HB ASP 99 9.120 5.915 7.631 654 HD2 ASP 99 HD2 ASP 99 9.098 7.456 4.588 655 H ALA 100 H ALA 100 7.679 5.532 10.272 656 HA ALA 100 HA ALA 100 4.972 6.105 11.115 657 1HB ALA 100 1HB ALA 100 5.722 5.540 13.245 658 2HB ALA 100 2HB ALA 100 6.812 4.566 12.227 659 3HB ALA 100 3HB ALA 100 7.381 6.103 12.926 660 H ALA 101 H ALA 101 6.142 8.060 9.339 661 HA ALA 101 HA ALA 101 5.684 10.373 10.903 662 1HB ALA 101 1HB ALA 101 8.103 9.676 11.482 663 2HB ALA 101 2HB ALA 101 8.503 10.148 9.814 664 3HB ALA 101 3HB ALA 101 7.840 11.353 10.945 665 H GLY 102 H GLY 102 6.955 8.796 7.942 666 1HA GLY 102 1HA GLY 102 6.421 11.087 6.277 667 2HA GLY 102 2HA GLY 102 6.944 9.492 5.776 668 H ASN 103 H ASN 103 5.129 7.681 6.354 669 HA ASN 103 HA ASN 103 3.296 6.878 5.437 670 1HB ASN 103 1HB ASN 103 1.455 7.283 6.813 671 2HB ASN 103 2HB ASN 103 2.725 8.017 7.803 672 1HD2 ASN 103 1HD2 ASN 103 -0.273 8.417 6.488 673 2HD2 ASN 103 2HD2 ASN 103 -0.419 10.143 6.509 674 H GLY 104 H GLY 104 0.714 8.162 4.896 675 1HA GLY 104 1HA GLY 104 -0.254 9.836 3.590 676 2HA GLY 104 2HA GLY 104 1.323 10.293 2.976 677 HA PRO 105 HA PRO 105 -0.776 7.402 0.037 678 1HB PRO 105 1HB PRO 105 -1.631 9.159 -1.872 679 2HB PRO 105 2HB PRO 105 -2.680 8.525 -0.607 680 1HG PRO 105 1HG PRO 105 -1.397 11.170 -0.858 681 2HG PRO 105 2HG PRO 105 -2.816 10.701 0.146 682 1HD PRO 105 1HD PRO 105 -0.124 11.196 0.988 683 2HD PRO 105 2HD PRO 105 -1.446 10.583 1.988 684 H GLU 106 H GLU 106 0.825 6.283 -0.868 685 HA GLU 106 HA GLU 106 2.117 7.477 -3.055 686 1HB GLU 106 1HB GLU 106 3.403 7.697 -0.432 687 2HB GLU 106 2HB GLU 106 4.432 6.853 -1.601 688 1HG GLU 106 1HG GLU 106 3.781 8.814 -3.211 689 2HG GLU 106 2HG GLU 106 3.298 9.665 -1.736 690 HE2 GLU 106 HE2 GLU 106 6.565 10.374 -0.974 691 H GLY 107 H GLY 107 0.516 5.130 -2.464 692 1HA GLY 107 1HA GLY 107 2.282 2.856 -2.285 693 2HA GLY 107 2HA GLY 107 0.546 2.854 -2.529 694 H VAL 108 H VAL 108 1.758 1.040 -4.045 695 HA VAL 108 HA VAL 108 2.259 2.318 -6.636 696 HB VAL 108 HB VAL 108 4.019 0.871 -5.625 697 1HG1 VAL 108 1HG1 VAL 108 2.732 -1.653 -6.347 698 2HG1 VAL 108 2HG1 VAL 108 3.638 -1.207 -4.880 699 3HG1 VAL 108 3HG1 VAL 108 1.904 -0.824 -5.008 700 1HG2 VAL 108 1HG2 VAL 108 3.669 1.260 -8.121 701 2HG2 VAL 108 2HG2 VAL 108 4.618 -0.176 -7.667 702 3HG2 VAL 108 3HG2 VAL 108 2.919 -0.354 -8.167 703 H ALA 109 H ALA 109 0.663 2.261 -8.128 704 HA ALA 109 HA ALA 109 -1.804 1.104 -7.608 705 1HB ALA 109 1HB ALA 109 -0.824 1.584 -10.417 706 2HB ALA 109 2HB ALA 109 -2.401 1.968 -9.686 707 3HB ALA 109 3HB ALA 109 -0.975 2.960 -9.298 708 H ILE 110 H ILE 110 -2.272 -1.024 -7.399 709 HA ILE 110 HA ILE 110 -0.856 -2.859 -9.207 710 HB ILE 110 HB ILE 110 -1.509 -3.012 -6.307 711 1HG1 ILE 110 1HG1 ILE 110 0.790 -2.660 -7.660 712 2HG1 ILE 110 2HG1 ILE 110 0.698 -3.412 -6.059 713 1HG2 ILE 110 1HG2 ILE 110 -1.769 -5.278 -8.246 714 2HG2 ILE 110 2HG2 ILE 110 -1.061 -5.583 -6.641 715 3HG2 ILE 110 3HG2 ILE 110 -2.704 -4.913 -6.776 716 1HD1 ILE 110 1HD1 ILE 110 0.973 -5.578 -6.929 717 2HD1 ILE 110 2HD1 ILE 110 0.380 -5.113 -8.542 718 3HD1 ILE 110 3HD1 ILE 110 2.006 -4.616 -8.014 719 H SER 111 H SER 111 -2.093 -4.592 -10.131 720 HA SER 111 HA SER 111 -4.840 -3.813 -10.448 721 1HB SER 111 1HB SER 111 -2.954 -5.697 -11.855 722 2HB SER 111 2HB SER 111 -4.699 -5.872 -12.109 723 HG SER 111 HG SER 111 -4.423 -4.342 -13.581 724 H PHE 112 H PHE 112 -5.911 -4.435 -8.522 725 HA PHE 112 HA PHE 112 -5.509 -7.120 -7.538 726 1HB PHE 112 1HB PHE 112 -7.445 -4.865 -6.760 727 2HB PHE 112 2HB PHE 112 -7.059 -6.265 -5.755 728 HD1 PHE 112 1HD PHE 112 -5.646 -3.177 -7.236 729 HD2 PHE 112 2HD PHE 112 -5.185 -6.230 -4.323 730 HE1 PHE 112 1HE PHE 112 -3.777 -1.882 -6.173 731 HE2 PHE 112 2HE PHE 112 -3.317 -4.934 -3.261 732 HZ PHE 112 HZ PHE 112 -2.634 -2.776 -4.198 733 H ASN 113 H ASN 113 -7.531 -8.441 -6.949 734 HA ASN 113 HA ASN 113 -8.928 -8.912 -9.316 735 1HB ASN 113 1HB ASN 113 -8.853 -9.995 -6.542 736 2HB ASN 113 2HB ASN 113 -10.401 -10.226 -7.367 737 1HD2 ASN 113 1HD2 ASN 113 -8.260 -12.099 -6.533 738 2HD2 ASN 113 2HD2 ASN 113 -7.805 -12.991 -7.945 Start of MODEL 9 1 H ALA 1 H ALA 1 16.383 10.680 -6.438 2 HA ALA 1 HA ALA 1 17.091 8.578 -7.246 3 1HB ALA 1 1HB ALA 1 16.140 8.467 -4.357 4 2HB ALA 1 2HB ALA 1 17.239 7.275 -5.091 5 3HB ALA 1 3HB ALA 1 17.739 8.977 -4.949 6 H ALA 2 H ALA 2 15.034 6.959 -4.942 7 HA ALA 2 HA ALA 2 13.130 6.170 -6.989 8 1HB ALA 2 1HB ALA 2 15.411 4.546 -6.103 9 2HB ALA 2 2HB ALA 2 13.847 3.730 -5.860 10 3HB ALA 2 3HB ALA 2 14.308 4.307 -7.479 11 HA PRO 3 HA PRO 3 11.683 6.540 -2.636 12 1HB PRO 3 1HB PRO 3 10.302 8.891 -2.798 13 2HB PRO 3 2HB PRO 3 11.946 8.779 -2.172 14 1HG PRO 3 1HG PRO 3 10.974 9.744 -4.785 15 2HG PRO 3 2HG PRO 3 12.551 10.074 -3.982 16 1HD PRO 3 1HD PRO 3 12.002 8.309 -6.169 17 2HD PRO 3 2HD PRO 3 13.539 8.481 -5.312 18 H THR 4 H THR 4 10.660 4.608 -3.620 19 HA THR 4 HA THR 4 7.878 4.888 -3.398 20 HB THR 4 HB THR 4 7.769 4.122 -6.051 21 HG1 THR 4 1HG THR 4 9.654 4.875 -6.925 22 1HG2 THR 4 1HG2 THR 4 7.026 6.437 -4.521 23 2HG2 THR 4 2HG2 THR 4 7.841 7.025 -5.989 24 3HG2 THR 4 3HG2 THR 4 6.420 5.962 -6.126 25 H ALA 5 H ALA 5 6.825 2.887 -3.288 26 HA ALA 5 HA ALA 5 8.713 0.650 -3.225 27 1HB ALA 5 1HB ALA 5 7.670 0.081 -1.317 28 2HB ALA 5 2HB ALA 5 6.765 1.610 -1.423 29 3HB ALA 5 3HB ALA 5 6.079 0.121 -2.115 30 H THR 6 H THR 6 7.817 -1.513 -3.946 31 HA THR 6 HA THR 6 5.637 -1.385 -5.837 32 HB THR 6 HB THR 6 6.912 -1.707 -7.793 33 HG1 THR 6 1HG THR 6 8.981 -2.746 -7.615 34 1HG2 THR 6 1HG2 THR 6 8.951 -0.255 -7.740 35 2HG2 THR 6 2HG2 THR 6 7.575 0.548 -6.946 36 3HG2 THR 6 3HG2 THR 6 8.855 -0.202 -5.963 37 H VAL 7 H VAL 7 5.085 -3.562 -6.699 38 HA VAL 7 HA VAL 7 5.963 -5.610 -4.780 39 HB VAL 7 HB VAL 7 3.290 -5.596 -6.154 40 1HG1 VAL 7 1HG1 VAL 7 3.386 -6.585 -3.430 41 2HG1 VAL 7 2HG1 VAL 7 2.912 -7.423 -4.928 42 3HG1 VAL 7 3HG1 VAL 7 4.622 -7.378 -4.435 43 1HG2 VAL 7 1HG2 VAL 7 3.079 -3.525 -5.134 44 2HG2 VAL 7 2HG2 VAL 7 2.499 -4.616 -3.854 45 3HG2 VAL 7 3HG2 VAL 7 4.151 -3.959 -3.782 46 H THR 8 H THR 8 6.540 -7.633 -5.597 47 HA THR 8 HA THR 8 7.742 -7.872 -7.975 48 HB THR 8 HB THR 8 6.523 -9.678 -5.967 49 HG1 THR 8 1HG THR 8 8.815 -9.809 -7.796 50 1HG2 THR 8 1HG2 THR 8 7.195 -10.767 -8.749 51 2HG2 THR 8 2HG2 THR 8 6.692 -11.709 -7.324 52 3HG2 THR 8 3HG2 THR 8 5.533 -10.623 -8.128 53 HA PRO 9 HA PRO 9 3.803 -9.089 -10.214 54 1HB PRO 9 1HB PRO 9 1.387 -9.025 -8.941 55 2HB PRO 9 2HB PRO 9 2.352 -10.491 -9.103 56 1HG PRO 9 1HG PRO 9 1.959 -8.727 -6.771 57 2HG PRO 9 2HG PRO 9 2.530 -10.433 -6.804 58 1HD PRO 9 1HD PRO 9 4.065 -8.049 -6.397 59 2HD PRO 9 2HD PRO 9 4.694 -9.692 -6.580 60 H SER 10 H SER 10 1.325 -8.002 -10.678 61 HA SER 10 HA SER 10 1.651 -5.197 -10.158 62 1HB SER 10 1HB SER 10 2.766 -6.153 -12.471 63 2HB SER 10 2HB SER 10 1.134 -5.751 -13.035 64 HG SER 10 HG SER 10 3.187 -4.055 -11.982 65 H SER 11 H SER 11 -0.202 -7.640 -9.694 66 HA SER 11 HA SER 11 -2.601 -6.179 -10.253 67 1HB SER 11 1HB SER 11 -3.744 -7.967 -11.412 68 2HB SER 11 2HB SER 11 -2.246 -7.612 -12.294 69 HG SER 11 HG SER 11 -1.738 -9.667 -12.039 70 H GLY 12 H GLY 12 -3.590 -6.158 -8.270 71 1HA GLY 12 1HA GLY 12 -2.936 -8.125 -6.279 72 2HA GLY 12 2HA GLY 12 -4.025 -6.759 -6.125 73 H LEU 13 H LEU 13 -4.784 -8.458 -8.986 74 HA LEU 13 HA LEU 13 -7.226 -9.063 -8.792 75 1HB LEU 13 1HB LEU 13 -5.428 -11.407 -9.317 76 2HB LEU 13 2HB LEU 13 -6.981 -11.010 -10.075 77 HG LEU 13 HG LEU 13 -4.346 -9.564 -10.464 78 1HD1 LEU 13 1HD1 LEU 13 -5.619 -10.706 -12.823 79 2HD1 LEU 13 2HD1 LEU 13 -3.949 -10.862 -12.229 80 3HD1 LEU 13 3HD1 LEU 13 -5.221 -11.938 -11.602 81 1HD2 LEU 13 1HD2 LEU 13 -6.184 -7.978 -10.558 82 2HD2 LEU 13 2HD2 LEU 13 -5.521 -8.256 -12.186 83 3HD2 LEU 13 3HD2 LEU 13 -7.055 -9.020 -11.709 84 H SER 14 H SER 14 -4.901 -11.279 -7.084 85 HA SER 14 HA SER 14 -7.009 -12.505 -5.679 86 1HB SER 14 1HB SER 14 -4.150 -12.829 -6.012 87 2HB SER 14 2HB SER 14 -4.563 -12.954 -4.293 88 HG SER 14 HG SER 14 -5.319 -14.604 -6.496 89 H ASP 15 H ASP 15 -8.208 -11.201 -4.297 90 HA ASP 15 HA ASP 15 -7.390 -8.964 -3.061 91 1HB ASP 15 1HB ASP 15 -9.202 -9.410 -1.395 92 2HB ASP 15 2HB ASP 15 -9.724 -9.698 -3.063 93 HD2 ASP 15 HD2 ASP 15 -10.220 -12.516 -0.494 94 H GLY 16 H GLY 16 -5.406 -8.893 -1.929 95 1HA GLY 16 1HA GLY 16 -4.390 -9.075 0.181 96 2HA GLY 16 2HA GLY 16 -5.207 -10.600 0.456 97 H THR 17 H THR 17 -3.568 -9.688 -2.609 98 HA THR 17 HA THR 17 -2.103 -12.101 -2.657 99 HB THR 17 HB THR 17 -2.252 -9.531 -4.261 100 HG1 THR 17 1HG THR 17 -3.664 -11.048 -5.070 101 1HG2 THR 17 1HG2 THR 17 0.090 -9.976 -4.564 102 2HG2 THR 17 2HG2 THR 17 -0.154 -11.737 -4.464 103 3HG2 THR 17 3HG2 THR 17 -0.698 -10.843 -5.904 104 H VAL 18 H VAL 18 -0.984 -12.278 -0.664 105 HA VAL 18 HA VAL 18 0.900 -10.239 0.039 106 HB VAL 18 HB VAL 18 0.692 -13.051 1.111 107 1HG1 VAL 18 1HG1 VAL 18 2.264 -10.721 1.777 108 2HG1 VAL 18 2HG1 VAL 18 1.211 -11.162 3.144 109 3HG1 VAL 18 3HG1 VAL 18 2.332 -12.364 2.459 110 1HG2 VAL 18 1HG2 VAL 18 -1.077 -10.662 1.598 111 2HG2 VAL 18 2HG2 VAL 18 -1.522 -12.365 1.336 112 3HG2 VAL 18 3HG2 VAL 18 -0.802 -11.862 2.883 113 H VAL 19 H VAL 19 2.452 -9.945 -1.552 114 HA VAL 19 HA VAL 19 4.095 -12.317 -2.095 115 HB VAL 19 HB VAL 19 4.500 -11.393 -4.338 116 1HG1 VAL 19 1HG1 VAL 19 1.872 -11.626 -5.003 117 2HG1 VAL 19 2HG1 VAL 19 2.942 -13.004 -4.647 118 3HG1 VAL 19 3HG1 VAL 19 1.869 -12.361 -3.381 119 1HG2 VAL 19 1HG2 VAL 19 2.980 -9.141 -3.249 120 2HG2 VAL 19 2HG2 VAL 19 4.075 -9.215 -4.650 121 3HG2 VAL 19 3HG2 VAL 19 2.368 -9.687 -4.828 122 H LYS 20 H LYS 20 6.278 -11.246 -3.264 123 HA LYS 20 HA LYS 20 7.487 -9.876 -1.088 124 1HB LYS 20 1HB LYS 20 8.398 -10.843 -3.784 125 2HB LYS 20 2HB LYS 20 9.454 -9.843 -2.770 126 1HG LYS 20 1HG LYS 20 9.469 -11.470 -1.023 127 2HG LYS 20 2HG LYS 20 8.092 -12.350 -1.708 128 1HD LYS 20 1HD LYS 20 9.434 -13.129 -3.565 129 2HD LYS 20 2HD LYS 20 10.781 -12.067 -3.121 130 1HE LYS 20 1HE LYS 20 11.327 -13.373 -1.222 131 2HE LYS 20 2HE LYS 20 9.743 -14.161 -1.181 132 1HZ LYS 20 1HZ LYS 20 11.661 -15.462 -2.101 133 2HZ LYS 20 2HZ LYS 20 10.312 -15.434 -3.022 134 3HZ LYS 20 3HZ LYS 20 11.594 -14.506 -3.423 135 H VAL 21 H VAL 21 8.408 -7.746 -1.074 136 HA VAL 21 HA VAL 21 7.498 -5.995 -3.224 137 HB VAL 21 HB VAL 21 6.728 -5.877 -0.335 138 1HG1 VAL 21 1HG1 VAL 21 7.700 -3.772 -0.378 139 2HG1 VAL 21 2HG1 VAL 21 7.358 -3.530 -2.108 140 3HG1 VAL 21 3HG1 VAL 21 6.040 -3.417 -0.916 141 1HG2 VAL 21 1HG2 VAL 21 4.692 -4.789 -1.779 142 2HG2 VAL 21 2HG2 VAL 21 5.401 -5.894 -2.981 143 3HG2 VAL 21 3HG2 VAL 21 4.847 -6.524 -1.411 144 H ALA 22 H ALA 22 8.941 -4.334 -3.687 145 HA ALA 22 HA ALA 22 11.193 -4.029 -1.840 146 1HB ALA 22 1HB ALA 22 12.120 -5.520 -3.417 147 2HB ALA 22 2HB ALA 22 11.261 -4.760 -4.777 148 3HB ALA 22 3HB ALA 22 12.623 -3.916 -4.002 149 H GLY 23 H GLY 23 12.204 -1.932 -1.940 150 1HA GLY 23 1HA GLY 23 12.402 0.217 -2.909 151 2HA GLY 23 2HA GLY 23 10.803 0.052 -3.608 152 H ALA 24 H ALA 24 10.877 2.342 -2.424 153 HA ALA 24 HA ALA 24 8.988 2.655 -0.683 154 1HB ALA 24 1HB ALA 24 10.273 2.601 1.621 155 2HB ALA 24 2HB ALA 24 9.573 1.106 0.956 156 3HB ALA 24 3HB ALA 24 11.316 1.426 0.785 157 H GLY 25 H GLY 25 10.206 4.282 1.439 158 1HA GLY 25 1HA GLY 25 10.618 6.662 0.006 159 2HA GLY 25 2HA GLY 25 10.904 6.400 1.714 160 H LEU 26 H LEU 26 12.669 3.998 0.201 161 HA LEU 26 HA LEU 26 14.873 3.689 0.122 162 1HB LEU 26 1HB LEU 26 14.470 4.306 -2.109 163 2HB LEU 26 2HB LEU 26 14.456 6.036 -1.721 164 HG LEU 26 HG LEU 26 16.986 5.070 -0.932 165 1HD1 LEU 26 1HD1 LEU 26 17.088 3.136 -2.141 166 2HD1 LEU 26 2HD1 LEU 26 15.973 3.724 -3.398 167 3HD1 LEU 26 3HD1 LEU 26 17.659 4.290 -3.370 168 1HD2 LEU 26 1HD2 LEU 26 17.162 7.170 -1.708 169 2HD2 LEU 26 2HD2 LEU 26 17.473 6.373 -3.270 170 3HD2 LEU 26 3HD2 LEU 26 15.838 6.962 -2.881 171 H GLN 27 H GLN 27 14.778 4.363 2.531 172 HA GLN 27 HA GLN 27 15.994 6.924 2.997 173 1HB GLN 27 1HB GLN 27 14.223 6.214 4.499 174 2HB GLN 27 2HB GLN 27 15.075 4.709 4.881 175 1HG GLN 27 1HG GLN 27 15.826 5.904 6.677 176 2HG GLN 27 2HG GLN 27 17.003 6.548 5.520 177 1HE2 GLN 27 1HE2 GLN 27 16.607 8.084 7.568 178 2HE2 GLN 27 2HE2 GLN 27 15.593 9.449 7.240 179 H ALA 28 H ALA 28 16.901 4.339 5.177 180 HA ALA 28 HA ALA 28 19.130 3.277 4.018 181 1HB ALA 28 1HB ALA 28 20.674 5.018 5.543 182 2HB ALA 28 2HB ALA 28 20.523 5.036 3.769 183 3HB ALA 28 3HB ALA 28 19.493 6.095 4.762 184 H GLY 29 H GLY 29 17.924 1.697 5.363 185 1HA GLY 29 1HA GLY 29 18.011 0.321 7.159 186 2HA GLY 29 2HA GLY 29 19.193 1.374 7.909 187 H THR 30 H THR 30 15.762 1.868 6.796 188 HA THR 30 HA THR 30 15.137 2.701 9.551 189 HB THR 30 HB THR 30 14.937 4.139 6.963 190 HG1 THR 30 1HG THR 30 15.152 5.799 8.535 191 1HG2 THR 30 1HG2 THR 30 12.503 3.534 7.294 192 2HG2 THR 30 2HG2 THR 30 12.598 4.200 8.942 193 3HG2 THR 30 3HG2 THR 30 12.813 5.270 7.535 194 H ALA 31 H ALA 31 12.750 2.586 10.042 195 HA ALA 31 HA ALA 31 11.863 -0.026 9.265 196 1HB ALA 31 1HB ALA 31 9.847 0.964 10.769 197 2HB ALA 31 2HB ALA 31 11.351 0.318 11.473 198 3HB ALA 31 3HB ALA 31 11.148 2.075 11.264 199 H TYR 32 H TYR 32 9.861 -0.524 8.187 200 HA TYR 32 HA TYR 32 8.595 1.728 6.817 201 1HB TYR 32 1HB TYR 32 10.061 -0.720 5.753 202 2HB TYR 32 2HB TYR 32 8.677 -0.124 4.830 203 HD1 TYR 32 1HD TYR 32 9.109 2.851 5.335 204 HD2 TYR 32 2HD TYR 32 11.809 -0.275 4.220 205 HE1 TYR 32 1HE TYR 32 10.622 4.552 4.201 206 HE2 TYR 32 2HE TYR 32 13.312 1.436 3.090 207 HH TYR 32 HH TYR 32 12.551 4.893 3.258 208 H ASP 33 H ASP 33 6.976 1.191 8.556 209 HA ASP 33 HA ASP 33 5.787 -1.293 8.682 210 1HB ASP 33 1HB ASP 33 5.275 0.118 10.468 211 2HB ASP 33 2HB ASP 33 4.996 1.521 9.424 212 HD2 ASP 33 HD2 ASP 33 1.970 -0.708 10.517 213 H VAL 34 H VAL 34 4.620 -2.314 7.048 214 HA VAL 34 HA VAL 34 3.975 -1.348 4.642 215 HB VAL 34 HB VAL 34 2.457 -3.310 6.365 216 1HG1 VAL 34 1HG1 VAL 34 2.280 -3.055 3.350 217 2HG1 VAL 34 2HG1 VAL 34 1.337 -4.123 4.417 218 3HG1 VAL 34 3HG1 VAL 34 1.082 -2.362 4.469 219 1HG2 VAL 34 1HG2 VAL 34 3.684 -4.902 4.697 220 2HG2 VAL 34 2HG2 VAL 34 4.763 -3.510 4.441 221 3HG2 VAL 34 3HG2 VAL 34 4.581 -4.205 6.068 222 H GLY 35 H GLY 35 2.098 -0.431 3.605 223 1HA GLY 35 1HA GLY 35 0.272 0.965 5.466 224 2HA GLY 35 2HA GLY 35 1.054 1.795 4.135 225 H GLN 36 H GLN 36 0.520 1.207 1.904 226 HA GLN 36 HA GLN 36 -0.749 0.483 0.282 227 1HB GLN 36 1HB GLN 36 -0.855 -1.760 0.862 228 2HB GLN 36 2HB GLN 36 -1.650 -1.445 2.414 229 1HG GLN 36 1HG GLN 36 -3.698 -1.678 1.486 230 2HG GLN 36 2HG GLN 36 -3.312 -0.552 0.176 231 1HE2 GLN 36 1HE2 GLN 36 -3.346 -1.353 -1.771 232 2HE2 GLN 36 2HE2 GLN 36 -3.091 -3.002 -2.239 233 H CYS 37 H CYS 37 -2.142 1.982 -0.532 234 HA CYS 37 HA CYS 37 -4.471 2.632 1.120 235 1HB CYS 37 1HB CYS 37 -2.887 4.586 -0.538 236 2HB CYS 37 2HB CYS 37 -4.332 4.949 0.423 237 H ALA 38 H ALA 38 -6.070 3.980 -0.522 238 HA ALA 38 HA ALA 38 -6.082 2.465 -3.043 239 1HB ALA 38 1HB ALA 38 -8.732 3.230 -2.307 240 2HB ALA 38 2HB ALA 38 -8.051 1.589 -2.417 241 3HB ALA 38 3HB ALA 38 -7.978 2.482 -0.878 242 H TRP 39 H TRP 39 -6.483 3.640 -4.914 243 HA TRP 39 HA TRP 39 -6.598 6.540 -4.513 244 1HB TRP 39 1HB TRP 39 -4.986 6.601 -5.997 245 2HB TRP 39 2HB TRP 39 -5.044 4.847 -6.186 246 HD1 TRP 39 HD TRP 39 -7.518 7.593 -7.494 247 HE1 TRP 39 1HE TRP 39 -7.926 7.299 -10.085 248 HE3 TRP 39 3HE TRP 39 -4.331 3.674 -8.085 249 HZ2 TRP 39 2HZ TRP 39 -6.893 5.502 -12.046 250 HZ3 TRP 39 3HZ TRP 39 -4.090 2.708 -10.370 251 HH2 TRP 39 HH TRP 39 -5.307 3.560 -12.311 252 H VAL 40 H VAL 40 -8.666 7.320 -4.580 253 HA VAL 40 HA VAL 40 -10.643 5.853 -6.120 254 HB VAL 40 HB VAL 40 -10.885 8.246 -4.284 255 1HG1 VAL 40 1HG1 VAL 40 -13.077 8.341 -4.747 256 2HG1 VAL 40 2HG1 VAL 40 -12.701 7.354 -6.180 257 3HG1 VAL 40 3HG1 VAL 40 -13.255 6.571 -4.682 258 1HG2 VAL 40 1HG2 VAL 40 -11.915 5.571 -3.488 259 2HG2 VAL 40 2HG2 VAL 40 -10.147 5.781 -3.481 260 3HG2 VAL 40 3HG2 VAL 40 -11.177 6.858 -2.506 261 H ASP 41 H ASP 41 -11.421 9.164 -5.864 262 HA ASP 41 HA ASP 41 -11.013 9.421 -8.701 263 1HB ASP 41 1HB ASP 41 -13.042 10.175 -6.988 264 2HB ASP 41 2HB ASP 41 -12.167 11.704 -7.178 265 HD2 ASP 41 HD2 ASP 41 -14.745 11.073 -9.807 266 H THR 42 H THR 42 -8.632 9.445 -7.012 267 HA THR 42 HA THR 42 -6.734 10.587 -6.791 268 HB THR 42 HB THR 42 -8.202 12.006 -8.934 269 HG1 THR 42 1HG THR 42 -5.424 11.394 -8.203 270 1HG2 THR 42 1HG2 THR 42 -7.710 14.064 -7.734 271 2HG2 THR 42 2HG2 THR 42 -6.115 13.455 -7.231 272 3HG2 THR 42 3HG2 THR 42 -6.415 13.862 -8.937 273 H GLY 43 H GLY 43 -9.439 13.004 -6.594 274 1HA GLY 43 1HA GLY 43 -8.218 14.489 -4.525 275 2HA GLY 43 2HA GLY 43 -9.897 14.549 -5.024 276 H VAL 44 H VAL 44 -9.611 11.343 -4.525 277 HA VAL 44 HA VAL 44 -9.985 11.542 -1.620 278 HB VAL 44 HB VAL 44 -11.642 9.873 -3.520 279 1HG1 VAL 44 1HG1 VAL 44 -12.393 8.818 -1.706 280 2HG1 VAL 44 2HG1 VAL 44 -11.221 9.719 -0.715 281 3HG1 VAL 44 3HG1 VAL 44 -12.860 10.366 -0.965 282 1HG2 VAL 44 1HG2 VAL 44 -13.458 11.445 -3.164 283 2HG2 VAL 44 2HG2 VAL 44 -12.435 12.435 -2.096 284 3HG2 VAL 44 3HG2 VAL 44 -12.049 12.304 -3.829 285 H LEU 45 H LEU 45 -8.652 10.202 -0.515 286 HA LEU 45 HA LEU 45 -7.677 7.837 -1.954 287 1HB LEU 45 1HB LEU 45 -6.062 9.782 -1.817 288 2HB LEU 45 2HB LEU 45 -5.988 9.474 -0.074 289 HG LEU 45 HG LEU 45 -5.520 7.108 -1.772 290 1HD1 LEU 45 1HD1 LEU 45 -3.013 8.178 -1.912 291 2HD1 LEU 45 2HD1 LEU 45 -4.186 8.141 -3.249 292 3HD1 LEU 45 3HD1 LEU 45 -4.027 9.602 -2.245 293 1HD2 LEU 45 1HD2 LEU 45 -5.141 6.774 0.497 294 2HD2 LEU 45 2HD2 LEU 45 -3.504 7.015 -0.158 295 3HD2 LEU 45 3HD2 LEU 45 -4.325 8.343 0.698 296 H ALA 46 H ALA 46 -8.207 5.986 -0.931 297 HA ALA 46 HA ALA 46 -8.948 6.215 1.897 298 1HB ALA 46 1HB ALA 46 -9.623 3.704 0.571 299 2HB ALA 46 2HB ALA 46 -10.685 4.879 1.384 300 3HB ALA 46 3HB ALA 46 -10.254 5.105 -0.328 301 H CYS 47 H CYS 47 -6.911 6.056 2.896 302 HA CYS 47 HA CYS 47 -4.971 4.216 2.067 303 1HB CYS 47 1HB CYS 47 -5.334 6.169 4.166 304 2HB CYS 47 2HB CYS 47 -4.515 4.718 4.773 305 H ASN 48 H ASN 48 -4.183 2.372 3.592 306 HA ASN 48 HA ASN 48 -6.557 0.988 4.561 307 1HB ASN 48 1HB ASN 48 -5.191 0.026 2.577 308 2HB ASN 48 2HB ASN 48 -3.920 -0.324 3.755 309 1HD2 ASN 48 1HD2 ASN 48 -6.506 -1.540 2.148 310 2HD2 ASN 48 2HD2 ASN 48 -6.983 -2.834 3.196 311 HA PRO 49 HA PRO 49 -3.929 1.691 8.187 312 1HB PRO 49 1HB PRO 49 -5.946 2.212 9.955 313 2HB PRO 49 2HB PRO 49 -5.114 3.470 9.044 314 1HG PRO 49 1HG PRO 49 -7.781 2.278 8.633 315 2HG PRO 49 2HG PRO 49 -7.148 3.851 8.027 316 1HD PRO 49 1HD PRO 49 -7.542 1.412 6.578 317 2HD PRO 49 2HD PRO 49 -6.767 2.884 5.976 318 H ALA 50 H ALA 50 -4.537 -0.815 7.071 319 HA ALA 50 HA ALA 50 -4.839 -2.267 9.595 320 1HB ALA 50 1HB ALA 50 -6.718 -3.299 8.920 321 2HB ALA 50 2HB ALA 50 -6.791 -2.154 7.558 322 3HB ALA 50 3HB ALA 50 -5.981 -3.726 7.356 323 H ASP 51 H ASP 51 -2.872 -1.375 7.118 324 HA ASP 51 HA ASP 51 -1.892 -3.478 5.861 325 1HB ASP 51 1HB ASP 51 0.465 -2.316 6.670 326 2HB ASP 51 2HB ASP 51 -0.555 -1.694 5.364 327 HD2 ASP 51 HD2 ASP 51 -0.159 0.383 8.688 328 H PHE 52 H PHE 52 -0.898 -2.410 9.206 329 HA PHE 52 HA PHE 52 -0.164 -3.532 10.958 330 1HB PHE 52 1HB PHE 52 -1.837 -5.344 9.497 331 2HB PHE 52 2HB PHE 52 -0.401 -6.282 9.918 332 HD1 PHE 52 1HD PHE 52 -3.413 -6.422 10.875 333 HD2 PHE 52 2HD PHE 52 0.166 -4.898 12.569 334 HE1 PHE 52 1HE PHE 52 -4.348 -6.787 13.175 335 HE2 PHE 52 2HE PHE 52 -0.768 -5.263 14.871 336 HZ PHE 52 HZ PHE 52 -3.014 -6.203 15.146 337 H SER 53 H SER 53 0.740 -5.247 7.889 338 HA SER 53 HA SER 53 3.036 -6.386 8.750 339 1HB SER 53 1HB SER 53 2.227 -5.225 6.073 340 2HB SER 53 2HB SER 53 3.792 -6.033 6.280 341 HG SER 53 HG SER 53 2.727 -7.857 5.986 342 H SER 54 H SER 54 5.366 -5.745 8.317 343 HA SER 54 HA SER 54 5.936 -3.028 7.868 344 1HB SER 54 1HB SER 54 6.895 -2.498 10.080 345 2HB SER 54 2HB SER 54 5.154 -2.802 10.198 346 HG SER 54 HG SER 54 5.758 -5.039 10.845 347 H VAL 55 H VAL 55 8.142 -2.791 7.305 348 HA VAL 55 HA VAL 55 9.892 -5.046 7.923 349 HB VAL 55 HB VAL 55 8.684 -5.178 5.627 350 1HG1 VAL 55 1HG1 VAL 55 10.863 -3.697 4.370 351 2HG1 VAL 55 2HG1 VAL 55 9.114 -3.654 4.043 352 3HG1 VAL 55 3HG1 VAL 55 9.802 -2.645 5.337 353 1HG2 VAL 55 1HG2 VAL 55 11.209 -5.706 4.676 354 2HG2 VAL 55 2HG2 VAL 55 11.450 -5.770 6.439 355 3HG2 VAL 55 3HG2 VAL 55 10.229 -6.812 5.669 356 H THR 56 H THR 56 11.980 -3.955 6.126 357 HA THR 56 HA THR 56 12.428 -1.285 7.209 358 HB THR 56 HB THR 56 13.854 -3.811 8.005 359 HG1 THR 56 1HG THR 56 13.996 -2.365 9.915 360 1HG2 THR 56 1HG2 THR 56 15.588 -2.407 6.716 361 2HG2 THR 56 2HG2 THR 56 15.270 -1.103 7.885 362 3HG2 THR 56 3HG2 THR 56 15.948 -2.652 8.443 363 H ALA 57 H ALA 57 14.536 -0.354 6.255 364 HA ALA 57 HA ALA 57 14.297 -0.629 3.436 365 1HB ALA 57 1HB ALA 57 14.746 1.530 4.447 366 2HB ALA 57 2HB ALA 57 16.215 0.903 5.234 367 3HB ALA 57 3HB ALA 57 16.153 1.064 3.462 368 H ASP 58 H ASP 58 16.886 -0.468 2.445 369 HA ASP 58 HA ASP 58 18.258 -2.775 3.504 370 1HB ASP 58 1HB ASP 58 18.482 -3.761 1.230 371 2HB ASP 58 2HB ASP 58 16.797 -3.720 1.768 372 HD2 ASP 58 HD2 ASP 58 16.682 -2.582 -1.588 373 H ALA 59 H ALA 59 20.528 -2.503 3.275 374 HA ALA 59 HA ALA 59 21.928 -0.434 3.171 375 1HB ALA 59 1HB ALA 59 23.612 -1.818 2.609 376 2HB ALA 59 2HB ALA 59 22.381 -3.046 2.226 377 3HB ALA 59 3HB ALA 59 23.004 -1.979 0.945 378 H ASN 60 H ASN 60 20.531 1.318 2.382 379 HA ASN 60 HA ASN 60 21.362 2.656 0.333 380 1HB ASN 60 1HB ASN 60 21.033 1.023 -1.366 381 2HB ASN 60 2HB ASN 60 19.464 0.520 -0.718 382 1HD2 ASN 60 1HD2 ASN 60 18.815 0.785 -2.961 383 2HD2 ASN 60 2HD2 ASN 60 18.316 2.340 -3.539 384 H GLY 61 H GLY 61 18.371 1.193 1.701 385 1HA GLY 61 1HA GLY 61 17.068 2.759 3.089 386 2HA GLY 61 2HA GLY 61 17.127 3.879 1.743 387 H SER 62 H SER 62 16.999 1.119 0.048 388 HA SER 62 HA SER 62 14.215 1.385 -0.386 389 1HB SER 62 1HB SER 62 15.164 0.850 -2.383 390 2HB SER 62 2HB SER 62 16.509 -0.033 -1.638 391 HG SER 62 HG SER 62 15.270 -1.883 -1.533 392 H ALA 63 H ALA 63 12.541 -0.083 0.152 393 HA ALA 63 HA ALA 63 13.174 -1.856 2.339 394 1HB ALA 63 1HB ALA 63 10.928 -1.708 2.841 395 2HB ALA 63 2HB ALA 63 11.116 -0.197 1.919 396 3HB ALA 63 3HB ALA 63 10.438 -1.642 1.132 397 H SER 64 H SER 64 12.393 -4.135 2.359 398 HA SER 64 HA SER 64 11.833 -5.311 -0.165 399 1HB SER 64 1HB SER 64 14.548 -5.556 1.108 400 2HB SER 64 2HB SER 64 13.887 -6.954 0.242 401 HG SER 64 HG SER 64 13.503 -5.289 -1.556 402 H THR 65 H THR 65 10.477 -7.042 0.224 403 HA THR 65 HA THR 65 10.796 -9.023 2.062 404 HB THR 65 HB THR 65 10.715 -7.468 3.910 405 HG1 THR 65 1HG THR 65 9.310 -9.235 4.308 406 1HG2 THR 65 1HG2 THR 65 8.308 -6.186 3.992 407 2HG2 THR 65 2HG2 THR 65 9.771 -5.418 3.330 408 3HG2 THR 65 3HG2 THR 65 8.585 -6.166 2.234 409 H SER 66 H SER 66 7.650 -7.924 2.655 410 HA SER 66 HA SER 66 6.574 -8.604 0.127 411 1HB SER 66 1HB SER 66 6.320 -10.563 2.439 412 2HB SER 66 2HB SER 66 5.254 -10.591 1.022 413 HG SER 66 HG SER 66 8.087 -11.100 1.178 414 H LEU 67 H LEU 67 4.444 -7.800 -0.045 415 HA LEU 67 HA LEU 67 3.282 -6.818 2.468 416 1HB LEU 67 1HB LEU 67 3.932 -5.426 -0.041 417 2HB LEU 67 2HB LEU 67 2.326 -5.083 0.623 418 HG LEU 67 HG LEU 67 3.515 -4.543 2.812 419 1HD1 LEU 67 1HD1 LEU 67 5.688 -5.689 1.760 420 2HD1 LEU 67 2HD1 LEU 67 6.003 -4.007 1.269 421 3HD1 LEU 67 3HD1 LEU 67 5.774 -4.404 2.989 422 1HD2 LEU 67 1HD2 LEU 67 4.123 -2.270 2.074 423 2HD2 LEU 67 2HD2 LEU 67 4.029 -2.808 0.380 424 3HD2 LEU 67 3HD2 LEU 67 2.569 -2.815 1.399 425 H THR 68 H THR 68 0.853 -6.488 2.291 426 HA THR 68 HA THR 68 -0.238 -8.740 0.760 427 HB THR 68 HB THR 68 -0.586 -8.862 3.181 428 HG1 THR 68 1HG THR 68 -2.403 -9.160 1.513 429 1HG2 THR 68 1HG2 THR 68 -0.989 -5.962 2.897 430 2HG2 THR 68 2HG2 THR 68 -2.372 -6.729 3.714 431 3HG2 THR 68 3HG2 THR 68 -0.731 -6.915 4.379 432 H VAL 69 H VAL 69 -0.639 -8.002 -1.283 433 HA VAL 69 HA VAL 69 -1.708 -5.405 -1.721 434 HB VAL 69 HB VAL 69 -1.748 -7.729 -3.638 435 1HG1 VAL 69 1HG1 VAL 69 -2.626 -6.084 -4.902 436 2HG1 VAL 69 2HG1 VAL 69 -2.061 -4.801 -3.804 437 3HG1 VAL 69 3HG1 VAL 69 -0.950 -5.493 -5.011 438 1HG2 VAL 69 1HG2 VAL 69 0.563 -6.585 -2.318 439 2HG2 VAL 69 2HG2 VAL 69 0.467 -7.942 -3.465 440 3HG2 VAL 69 3HG2 VAL 69 0.623 -6.275 -4.070 441 H ARG 70 H ARG 70 -3.435 -5.874 0.066 442 HA ARG 70 HA ARG 70 -5.507 -7.608 -0.529 443 1HB ARG 70 1HB ARG 70 -6.803 -6.168 1.130 444 2HB ARG 70 2HB ARG 70 -5.248 -6.768 1.733 445 1HG ARG 70 1HG ARG 70 -4.606 -4.348 0.479 446 2HG ARG 70 2HG ARG 70 -6.154 -4.005 1.273 447 1HD ARG 70 1HD ARG 70 -4.881 -3.639 3.125 448 2HD ARG 70 2HD ARG 70 -4.794 -5.402 3.243 449 HE ARG 70 HE ARG 70 -2.688 -5.110 1.733 450 1HH1 ARG 70 1HH1 ARG 70 -3.755 -2.742 4.107 451 2HH1 ARG 70 2HH1 ARG 70 -2.166 -2.106 4.377 452 1HH2 ARG 70 1HH2 ARG 70 -0.592 -4.273 2.088 453 2HH2 ARG 70 2HH2 ARG 70 -0.354 -2.983 3.219 454 H ARG 71 H ARG 71 -7.204 -7.444 -1.978 455 HA ARG 71 HA ARG 71 -7.304 -5.123 -3.600 456 1HB ARG 71 1HB ARG 71 -7.698 -7.158 -4.751 457 2HB ARG 71 2HB ARG 71 -8.817 -7.759 -3.517 458 1HG ARG 71 1HG ARG 71 -10.447 -5.997 -4.170 459 2HG ARG 71 2HG ARG 71 -9.332 -5.429 -5.426 460 1HD ARG 71 1HD ARG 71 -10.497 -6.867 -6.764 461 2HD ARG 71 2HD ARG 71 -9.484 -8.115 -6.023 462 HE ARG 71 HE ARG 71 -11.872 -7.510 -4.458 463 1HH1 ARG 71 1HH1 ARG 71 -10.639 -9.383 -7.170 464 2HH1 ARG 71 2HH1 ARG 71 -11.875 -10.592 -7.061 465 1HH2 ARG 71 1HH2 ARG 71 -13.502 -9.105 -4.315 466 2HH2 ARG 71 2HH2 ARG 71 -13.514 -10.432 -5.427 467 H SER 72 H SER 72 -10.006 -6.931 -1.958 468 HA SER 72 HA SER 72 -11.378 -4.420 -1.659 469 1HB SER 72 1HB SER 72 -12.711 -6.225 -2.499 470 2HB SER 72 2HB SER 72 -12.185 -7.319 -1.208 471 HG SER 72 HG SER 72 -14.313 -6.501 -0.794 472 H PHE 73 H PHE 73 -11.205 -3.231 0.204 473 HA PHE 73 HA PHE 73 -11.157 -4.593 2.734 474 1HB PHE 73 1HB PHE 73 -9.018 -3.428 3.387 475 2HB PHE 73 2HB PHE 73 -8.748 -4.549 2.048 476 HD1 PHE 73 1HD PHE 73 -9.328 -0.965 2.834 477 HD2 PHE 73 2HD PHE 73 -7.805 -3.780 0.048 478 HE1 PHE 73 1HE PHE 73 -8.330 0.906 1.490 479 HE2 PHE 73 2HE PHE 73 -6.808 -1.910 -1.297 480 HZ PHE 73 HZ PHE 73 -7.082 0.411 -0.559 481 H GLU 74 H GLU 74 -10.656 -2.641 4.500 482 HA GLU 74 HA GLU 74 -12.716 -0.742 3.845 483 1HB GLU 74 1HB GLU 74 -12.370 -0.101 6.314 484 2HB GLU 74 2HB GLU 74 -13.007 -1.722 5.990 485 1HG GLU 74 1HG GLU 74 -10.033 -1.451 6.120 486 2HG GLU 74 2HG GLU 74 -10.899 -1.235 7.648 487 HE2 GLU 74 HE2 GLU 74 -12.279 -4.619 6.835 488 H GLY 75 H GLY 75 -12.016 1.004 2.664 489 1HA GLY 75 1HA GLY 75 -9.339 2.045 3.029 490 2HA GLY 75 2HA GLY 75 -10.553 2.578 1.882 491 H PHE 76 H PHE 76 -8.832 4.191 3.727 492 HA PHE 76 HA PHE 76 -11.020 5.541 5.137 493 1HB PHE 76 1HB PHE 76 -8.176 4.780 5.948 494 2HB PHE 76 2HB PHE 76 -8.964 6.154 6.727 495 HD1 PHE 76 1HD PHE 76 -9.604 2.560 5.932 496 HD2 PHE 76 2HD PHE 76 -10.139 5.755 8.672 497 HE1 PHE 76 1HE PHE 76 -10.706 0.989 7.550 498 HE2 PHE 76 2HE PHE 76 -11.241 4.184 10.290 499 HZ PHE 76 HZ PHE 76 -11.511 1.820 9.709 500 H LEU 77 H LEU 77 -11.248 7.661 4.580 501 HA LEU 77 HA LEU 77 -9.746 8.794 2.558 502 1HB LEU 77 1HB LEU 77 -11.846 9.585 4.416 503 2HB LEU 77 2HB LEU 77 -10.796 10.931 3.940 504 HG LEU 77 HG LEU 77 -12.892 10.591 2.574 505 1HD1 LEU 77 1HD1 LEU 77 -10.851 11.868 1.839 506 2HD1 LEU 77 2HD1 LEU 77 -10.347 10.412 0.946 507 3HD1 LEU 77 3HD1 LEU 77 -11.870 11.233 0.525 508 1HD2 LEU 77 1HD2 LEU 77 -13.362 8.685 1.520 509 2HD2 LEU 77 2HD2 LEU 77 -11.714 8.545 0.863 510 3HD2 LEU 77 3HD2 LEU 77 -12.073 7.942 2.499 511 H PHE 78 H PHE 78 -9.444 9.090 6.143 512 HA PHE 78 HA PHE 78 -7.603 9.478 7.342 513 1HB PHE 78 1HB PHE 78 -6.522 8.752 4.943 514 2HB PHE 78 2HB PHE 78 -6.055 10.456 4.923 515 HD1 PHE 78 1HD PHE 78 -4.369 11.285 6.434 516 HD2 PHE 78 2HD PHE 78 -5.599 7.226 6.604 517 HE1 PHE 78 1HE PHE 78 -2.378 10.740 7.863 518 HE2 PHE 78 2HE PHE 78 -3.609 6.683 8.033 519 HZ PHE 78 HZ PHE 78 -2.022 8.446 8.645 520 H ASP 79 H ASP 79 -9.519 11.531 5.705 521 HA ASP 79 HA ASP 79 -8.062 13.860 6.685 522 1HB ASP 79 1HB ASP 79 -8.436 13.715 4.177 523 2HB ASP 79 2HB ASP 79 -10.177 13.793 4.484 524 HD2 ASP 79 HD2 ASP 79 -8.129 17.096 4.296 525 H GLY 80 H GLY 80 -11.217 12.177 6.188 526 1HA GLY 80 1HA GLY 80 -12.316 12.793 8.639 527 2HA GLY 80 2HA GLY 80 -12.805 14.095 7.572 528 H THR 81 H THR 81 -12.208 10.649 6.672 529 HA THR 81 HA THR 81 -14.960 9.950 6.658 530 HB THR 81 HB THR 81 -13.737 11.213 4.242 531 HG1 THR 81 1HG THR 81 -16.414 10.439 5.170 532 1HG2 THR 81 1HG2 THR 81 -13.939 8.692 3.654 533 2HG2 THR 81 2HG2 THR 81 -15.686 8.882 3.936 534 3HG2 THR 81 3HG2 THR 81 -14.886 9.812 2.645 535 H ARG 82 H ARG 82 -15.265 7.765 5.496 536 HA ARG 82 HA ARG 82 -12.842 6.312 5.173 537 1HB ARG 82 1HB ARG 82 -13.045 6.193 7.612 538 2HB ARG 82 2HB ARG 82 -14.737 5.678 7.490 539 1HG ARG 82 1HG ARG 82 -13.582 3.764 5.965 540 2HG ARG 82 2HG ARG 82 -12.212 4.126 7.030 541 1HD ARG 82 1HD ARG 82 -13.292 3.308 8.904 542 2HD ARG 82 2HD ARG 82 -14.899 3.775 8.328 543 HE ARG 82 HE ARG 82 -13.964 1.750 6.593 544 1HH1 ARG 82 1HH1 ARG 82 -14.768 2.080 10.003 545 2HH1 ARG 82 2HH1 ARG 82 -15.225 0.420 10.187 546 1HH2 ARG 82 1HH2 ARG 82 -14.568 -0.441 6.835 547 2HH2 ARG 82 2HH2 ARG 82 -15.111 -1.024 8.373 548 H TRP 83 H TRP 83 -13.228 4.862 3.518 549 HA TRP 83 HA TRP 83 -15.839 4.572 2.482 550 1HB TRP 83 1HB TRP 83 -13.131 3.493 1.856 551 2HB TRP 83 2HB TRP 83 -14.541 2.700 1.151 552 HD1 TRP 83 HD TRP 83 -12.140 5.053 0.028 553 HE1 TRP 83 1HE TRP 83 -12.988 6.824 -1.735 554 HE3 TRP 83 3HE TRP 83 -17.095 4.376 0.948 555 HZ2 TRP 83 2HZ TRP 83 -15.577 7.723 -2.530 556 HZ3 TRP 83 3HZ TRP 83 -18.716 5.740 -0.365 557 HH2 TRP 83 HH TRP 83 -18.028 7.367 -2.054 558 H GLY 84 H GLY 84 -13.570 1.928 3.515 559 1HA GLY 84 1HA GLY 84 -13.945 0.265 5.056 560 2HA GLY 84 2HA GLY 84 -15.596 0.811 5.278 561 H THR 85 H THR 85 -14.401 -1.937 4.688 562 HA THR 85 HA THR 85 -14.486 -3.501 2.957 563 HB THR 85 HB THR 85 -16.977 -2.925 4.499 564 HG1 THR 85 1HG THR 85 -15.319 -5.217 3.705 565 1HG2 THR 85 1HG2 THR 85 -16.960 -4.506 1.907 566 2HG2 THR 85 2HG2 THR 85 -17.913 -5.102 3.286 567 3HG2 THR 85 3HG2 THR 85 -18.259 -3.499 2.591 568 H VAL 86 H VAL 86 -13.756 -2.247 1.109 569 HA VAL 86 HA VAL 86 -15.917 -2.042 -0.825 570 HB VAL 86 HB VAL 86 -15.272 0.208 0.406 571 1HG1 VAL 86 1HG1 VAL 86 -13.151 -0.030 -1.754 572 2HG1 VAL 86 2HG1 VAL 86 -13.583 1.476 -0.911 573 3HG1 VAL 86 3HG1 VAL 86 -12.883 0.116 -0.001 574 1HG2 VAL 86 1HG2 VAL 86 -16.456 1.224 -1.232 575 2HG2 VAL 86 2HG2 VAL 86 -15.393 0.619 -2.526 576 3HG2 VAL 86 3HG2 VAL 86 -16.655 -0.436 -1.845 577 H ASP 87 H ASP 87 -15.233 -2.470 -2.968 578 HA ASP 87 HA ASP 87 -12.867 -3.998 -3.077 579 1HB ASP 87 1HB ASP 87 -15.133 -3.286 -4.866 580 2HB ASP 87 2HB ASP 87 -13.618 -3.643 -5.709 581 HD2 ASP 87 HD2 ASP 87 -14.806 -6.715 -3.518 582 H CYS 88 H CYS 88 -10.863 -2.958 -3.171 583 HA CYS 88 HA CYS 88 -10.606 -0.296 -4.029 584 1HB CYS 88 1HB CYS 88 -8.468 -0.425 -3.348 585 2HB CYS 88 2HB CYS 88 -9.138 -1.789 -2.435 586 H THR 89 H THR 89 -10.434 -3.496 -5.566 587 HA THR 89 HA THR 89 -8.936 -2.954 -7.811 588 HB THR 89 HB THR 89 -9.612 -5.207 -7.380 589 HG1 THR 89 1HG THR 89 -11.016 -5.562 -9.346 590 1HG2 THR 89 1HG2 THR 89 -11.597 -4.988 -6.013 591 2HG2 THR 89 2HG2 THR 89 -12.436 -4.046 -7.269 592 3HG2 THR 89 3HG2 THR 89 -12.137 -5.784 -7.511 593 H THR 90 H THR 90 -12.044 -1.644 -6.891 594 HA THR 90 HA THR 90 -12.820 -0.960 -9.565 595 HB THR 90 HB THR 90 -13.869 -0.841 -6.808 596 HG1 THR 90 1HG THR 90 -14.622 -2.039 -8.781 597 1HG2 THR 90 1HG2 THR 90 -15.529 1.030 -7.605 598 2HG2 THR 90 2HG2 THR 90 -13.962 1.549 -6.939 599 3HG2 THR 90 3HG2 THR 90 -14.215 1.522 -8.701 600 H ALA 91 H ALA 91 -10.664 0.368 -7.156 601 HA ALA 91 HA ALA 91 -10.398 2.739 -8.870 602 1HB ALA 91 1HB ALA 91 -9.697 3.102 -6.029 603 2HB ALA 91 2HB ALA 91 -10.655 4.140 -7.112 604 3HB ALA 91 3HB ALA 91 -11.423 2.755 -6.300 605 H ALA 92 H ALA 92 -9.078 -0.095 -8.411 606 HA ALA 92 HA ALA 92 -7.024 -0.953 -8.118 607 1HB ALA 92 1HB ALA 92 -5.568 1.043 -9.604 608 2HB ALA 92 2HB ALA 92 -6.132 -0.557 -10.140 609 3HB ALA 92 3HB ALA 92 -7.192 0.862 -10.309 610 H CYS 93 H CYS 93 -6.638 -0.723 -5.873 611 HA CYS 93 HA CYS 93 -5.730 1.709 -4.782 612 1HB CYS 93 1HB CYS 93 -5.000 0.115 -2.886 613 2HB CYS 93 2HB CYS 93 -6.723 0.375 -3.210 614 H GLN 94 H GLN 94 -3.458 1.181 -3.298 615 HA GLN 94 HA GLN 94 -1.508 0.120 -5.150 616 1HB GLN 94 1HB GLN 94 -0.086 2.077 -5.037 617 2HB GLN 94 2HB GLN 94 -1.689 2.590 -5.594 618 1HG GLN 94 1HG GLN 94 -1.007 2.648 -2.649 619 2HG GLN 94 2HG GLN 94 -0.443 3.955 -3.702 620 1HE2 GLN 94 1HE2 GLN 94 -1.770 5.327 -2.402 621 2HE2 GLN 94 2HE2 GLN 94 -3.470 5.469 -2.697 622 H VAL 95 H VAL 95 0.373 -0.719 -4.115 623 HA VAL 95 HA VAL 95 0.125 -0.808 -1.192 624 HB VAL 95 HB VAL 95 1.362 -2.723 -3.178 625 1HG1 VAL 95 1HG1 VAL 95 2.229 -2.304 -0.584 626 2HG1 VAL 95 2HG1 VAL 95 1.078 -3.651 -0.410 627 3HG1 VAL 95 3HG1 VAL 95 2.452 -3.794 -1.533 628 1HG2 VAL 95 1HG2 VAL 95 -1.223 -2.537 -2.786 629 2HG2 VAL 95 2HG2 VAL 95 -0.441 -4.135 -2.827 630 3HG2 VAL 95 3HG2 VAL 95 -0.861 -3.391 -1.266 631 H GLY 96 H GLY 96 1.787 -0.069 0.087 632 1HA GLY 96 1HA GLY 96 4.423 0.344 -1.030 633 2HA GLY 96 2HA GLY 96 3.537 1.820 -0.701 634 H LEU 97 H LEU 97 5.883 1.368 0.696 635 HA LEU 97 HA LEU 97 5.171 0.169 3.236 636 1HB LEU 97 1HB LEU 97 7.648 1.063 1.876 637 2HB LEU 97 2HB LEU 97 7.633 1.092 3.648 638 HG LEU 97 HG LEU 97 8.584 -0.969 3.037 639 1HD1 LEU 97 1HD1 LEU 97 7.388 -2.249 4.422 640 2HD1 LEU 97 2HD1 LEU 97 6.264 -0.871 4.521 641 3HD1 LEU 97 3HD1 LEU 97 5.949 -2.197 3.375 642 1HD2 LEU 97 1HD2 LEU 97 7.674 -0.776 0.631 643 2HD2 LEU 97 2HD2 LEU 97 7.926 -2.398 1.321 644 3HD2 LEU 97 3HD2 LEU 97 6.286 -1.710 1.239 645 H SER 98 H SER 98 5.038 1.303 5.218 646 HA SER 98 HA SER 98 4.793 4.187 4.844 647 1HB SER 98 1HB SER 98 2.859 2.283 5.746 648 2HB SER 98 2HB SER 98 3.287 3.293 7.138 649 HG SER 98 HG SER 98 3.006 5.074 5.292 650 H ASP 99 H ASP 99 6.453 5.224 5.886 651 HA ASP 99 HA ASP 99 8.195 4.014 7.574 652 1HB ASP 99 1HB ASP 99 7.500 6.932 7.937 653 2HB ASP 99 2HB ASP 99 9.098 6.172 7.947 654 HD2 ASP 99 HD2 ASP 99 9.368 6.407 4.485 655 H ALA 100 H ALA 100 8.558 5.165 9.984 656 HA ALA 100 HA ALA 100 6.497 4.141 11.583 657 1HB ALA 100 1HB ALA 100 8.719 6.092 12.309 658 2HB ALA 100 2HB ALA 100 7.828 5.027 13.424 659 3HB ALA 100 3HB ALA 100 8.914 4.327 12.200 660 H ALA 101 H ALA 101 6.710 7.023 9.752 661 HA ALA 101 HA ALA 101 4.744 8.322 11.511 662 1HB ALA 101 1HB ALA 101 7.135 9.266 10.133 663 2HB ALA 101 2HB ALA 101 5.697 10.193 9.644 664 3HB ALA 101 3HB ALA 101 6.141 10.081 11.364 665 H GLY 102 H GLY 102 5.163 6.479 8.701 666 1HA GLY 102 1HA GLY 102 3.648 5.875 7.134 667 2HA GLY 102 2HA GLY 102 2.477 6.967 7.848 668 H ASN 103 H ASN 103 5.786 7.774 6.640 669 HA ASN 103 HA ASN 103 4.535 9.754 4.956 670 1HB ASN 103 1HB ASN 103 7.136 9.405 6.308 671 2HB ASN 103 2HB ASN 103 7.322 9.976 4.642 672 1HD2 ASN 103 1HD2 ASN 103 7.722 12.057 4.768 673 2HD2 ASN 103 2HD2 ASN 103 6.806 13.243 5.636 674 H GLY 104 H GLY 104 6.473 10.023 2.912 675 1HA GLY 104 1HA GLY 104 6.893 9.212 0.851 676 2HA GLY 104 2HA GLY 104 7.564 7.839 1.710 677 HA PRO 105 HA PRO 105 3.108 6.601 0.745 678 1HB PRO 105 1HB PRO 105 1.345 8.406 -0.302 679 2HB PRO 105 2HB PRO 105 1.463 8.063 1.422 680 1HG PRO 105 1HG PRO 105 2.458 10.370 -0.124 681 2HG PRO 105 2HG PRO 105 2.153 10.253 1.646 682 1HD PRO 105 1HD PRO 105 4.662 10.216 0.265 683 2HD PRO 105 2HD PRO 105 4.404 9.938 1.992 684 H GLU 106 H GLU 106 1.375 6.727 -1.391 685 HA GLU 106 HA GLU 106 1.238 6.366 -3.532 686 1HB GLU 106 1HB GLU 106 3.099 8.421 -3.430 687 2HB GLU 106 2HB GLU 106 3.922 7.207 -4.424 688 1HG GLU 106 1HG GLU 106 2.697 8.441 -6.003 689 2HG GLU 106 2HG GLU 106 1.635 7.058 -5.705 690 HE2 GLU 106 HE2 GLU 106 -0.672 9.067 -3.979 691 H GLY 107 H GLY 107 1.596 4.139 -2.285 692 1HA GLY 107 1HA GLY 107 3.925 2.686 -2.424 693 2HA GLY 107 2HA GLY 107 2.308 2.015 -2.493 694 H VAL 108 H VAL 108 1.470 1.239 -4.445 695 HA VAL 108 HA VAL 108 2.668 1.987 -6.930 696 HB VAL 108 HB VAL 108 4.328 0.400 -6.033 697 1HG1 VAL 108 1HG1 VAL 108 3.822 -1.579 -5.105 698 2HG1 VAL 108 2HG1 VAL 108 2.141 -0.992 -5.057 699 3HG1 VAL 108 3HG1 VAL 108 2.693 -2.001 -6.416 700 1HG2 VAL 108 1HG2 VAL 108 4.738 -0.182 -8.148 701 2HG2 VAL 108 2HG2 VAL 108 3.356 -1.304 -8.159 702 3HG2 VAL 108 3HG2 VAL 108 3.113 0.410 -8.573 703 H ALA 109 H ALA 109 1.017 2.038 -8.364 704 HA ALA 109 HA ALA 109 -1.533 1.123 -7.645 705 1HB ALA 109 1HB ALA 109 -0.197 2.353 -10.016 706 2HB ALA 109 2HB ALA 109 -1.738 1.512 -10.310 707 3HB ALA 109 3HB ALA 109 -1.665 2.853 -9.143 708 H ILE 110 H ILE 110 -2.070 -0.992 -7.403 709 HA ILE 110 HA ILE 110 -0.918 -2.868 -9.347 710 HB ILE 110 HB ILE 110 -1.731 -3.146 -6.470 711 1HG1 ILE 110 1HG1 ILE 110 0.725 -4.338 -7.645 712 2HG1 ILE 110 2HG1 ILE 110 0.667 -2.572 -7.514 713 1HG2 ILE 110 1HG2 ILE 110 -2.671 -5.117 -6.959 714 2HG2 ILE 110 2HG2 ILE 110 -1.969 -5.163 -8.594 715 3HG2 ILE 110 3HG2 ILE 110 -1.000 -5.683 -7.194 716 1HD1 ILE 110 1HD1 ILE 110 1.217 -2.783 -5.330 717 2HD1 ILE 110 2HD1 ILE 110 -0.345 -3.592 -5.055 718 3HD1 ILE 110 3HD1 ILE 110 1.101 -4.556 -5.439 719 H SER 111 H SER 111 -2.291 -4.338 -10.434 720 HA SER 111 HA SER 111 -4.971 -3.341 -10.643 721 1HB SER 111 1HB SER 111 -3.321 -5.368 -12.173 722 2HB SER 111 2HB SER 111 -5.059 -5.186 -12.478 723 HG SER 111 HG SER 111 -3.764 -2.739 -12.437 724 H PHE 112 H PHE 112 -6.213 -4.018 -8.878 725 HA PHE 112 HA PHE 112 -5.966 -6.760 -7.990 726 1HB PHE 112 1HB PHE 112 -7.752 -4.393 -7.181 727 2HB PHE 112 2HB PHE 112 -7.601 -5.889 -6.255 728 HD1 PHE 112 1HD PHE 112 -5.711 -2.926 -7.442 729 HD2 PHE 112 2HD PHE 112 -5.883 -6.136 -4.671 730 HE1 PHE 112 1HE PHE 112 -3.797 -1.925 -6.163 731 HE2 PHE 112 2HE PHE 112 -3.970 -5.134 -3.392 732 HZ PHE 112 HZ PHE 112 -2.949 -3.041 -4.154 733 H ASN 113 H ASN 113 -7.163 -5.868 -10.717 734 HA ASN 113 HA ASN 113 -9.805 -5.990 -10.861 735 1HB ASN 113 1HB ASN 113 -7.562 -6.783 -12.570 736 2HB ASN 113 2HB ASN 113 -8.968 -7.813 -12.877 737 1HD2 ASN 113 1HD2 ASN 113 -10.465 -7.096 -14.192 738 2HD2 ASN 113 2HD2 ASN 113 -10.703 -5.461 -14.713 Start of MODEL 10 1 H ALA 1 H ALA 1 17.666 8.999 -7.960 2 HA ALA 1 HA ALA 1 17.332 8.763 -5.090 3 1HB ALA 1 1HB ALA 1 16.371 11.334 -5.597 4 2HB ALA 1 2HB ALA 1 17.870 10.924 -4.729 5 3HB ALA 1 3HB ALA 1 17.920 11.281 -6.473 6 H ALA 2 H ALA 2 15.865 7.074 -5.895 7 HA ALA 2 HA ALA 2 13.333 8.272 -6.753 8 1HB ALA 2 1HB ALA 2 13.967 7.370 -8.795 9 2HB ALA 2 2HB ALA 2 14.916 6.063 -8.045 10 3HB ALA 2 3HB ALA 2 13.138 5.974 -8.064 11 HA PRO 3 HA PRO 3 12.924 5.623 -3.097 12 1HB PRO 3 1HB PRO 3 11.718 7.448 -1.461 13 2HB PRO 3 2HB PRO 3 13.454 7.151 -1.457 14 1HG PRO 3 1HG PRO 3 11.917 9.383 -2.620 15 2HG PRO 3 2HG PRO 3 13.667 9.325 -2.197 16 1HD PRO 3 1HD PRO 3 12.456 9.178 -4.787 17 2HD PRO 3 2HD PRO 3 14.170 8.955 -4.410 18 H THR 4 H THR 4 11.418 4.108 -3.321 19 HA THR 4 HA THR 4 8.735 4.692 -2.934 20 HB THR 4 HB THR 4 8.359 4.072 -5.623 21 HG1 THR 4 1HG THR 4 9.896 5.599 -6.642 22 1HG2 THR 4 1HG2 THR 4 7.103 5.966 -5.411 23 2HG2 THR 4 2HG2 THR 4 7.944 6.358 -3.893 24 3HG2 THR 4 3HG2 THR 4 8.593 6.938 -5.445 25 H ALA 5 H ALA 5 7.444 2.817 -2.873 26 HA ALA 5 HA ALA 5 9.056 0.377 -3.088 27 1HB ALA 5 1HB ALA 5 6.547 1.039 -1.493 28 2HB ALA 5 2HB ALA 5 7.351 -0.549 -1.517 29 3HB ALA 5 3HB ALA 5 8.199 0.867 -0.854 30 H THR 6 H THR 6 8.066 -1.546 -4.027 31 HA THR 6 HA THR 6 5.592 -1.203 -5.474 32 HB THR 6 HB THR 6 6.503 -1.237 -7.658 33 HG1 THR 6 1HG THR 6 8.349 -2.456 -7.976 34 1HG2 THR 6 1HG2 THR 6 8.516 0.282 -7.738 35 2HG2 THR 6 2HG2 THR 6 7.228 0.931 -6.695 36 3HG2 THR 6 3HG2 THR 6 8.651 0.148 -5.968 37 H VAL 7 H VAL 7 4.933 -3.256 -6.578 38 HA VAL 7 HA VAL 7 6.033 -5.509 -5.045 39 HB VAL 7 HB VAL 7 3.291 -5.330 -6.287 40 1HG1 VAL 7 1HG1 VAL 7 3.064 -7.417 -5.537 41 2HG1 VAL 7 2HG1 VAL 7 4.753 -7.391 -4.979 42 3HG1 VAL 7 3HG1 VAL 7 3.446 -6.886 -3.881 43 1HG2 VAL 7 1HG2 VAL 7 4.210 -4.370 -3.567 44 2HG2 VAL 7 2HG2 VAL 7 3.297 -3.479 -4.807 45 3HG2 VAL 7 3HG2 VAL 7 2.520 -4.808 -3.913 46 H THR 8 H THR 8 6.834 -7.268 -6.141 47 HA THR 8 HA THR 8 7.821 -7.134 -8.619 48 HB THR 8 HB THR 8 6.950 -9.289 -6.754 49 HG1 THR 8 1HG THR 8 9.178 -9.512 -6.926 50 1HG2 THR 8 1HG2 THR 8 6.037 -10.115 -8.995 51 2HG2 THR 8 2HG2 THR 8 7.681 -9.942 -9.654 52 3HG2 THR 8 3HG2 THR 8 7.365 -11.105 -8.343 53 HA PRO 9 HA PRO 9 3.904 -8.636 -10.696 54 1HB PRO 9 1HB PRO 9 1.654 -9.204 -9.254 55 2HB PRO 9 2HB PRO 9 2.832 -10.427 -9.724 56 1HG PRO 9 1HG PRO 9 2.386 -9.127 -7.113 57 2HG PRO 9 2HG PRO 9 3.231 -10.678 -7.466 58 1HD PRO 9 1HD PRO 9 4.374 -8.141 -6.791 59 2HD PRO 9 2HD PRO 9 5.251 -9.595 -7.286 60 H SER 10 H SER 10 1.602 -7.522 -8.363 61 HA SER 10 HA SER 10 0.772 -5.484 -8.046 62 1HB SER 10 1HB SER 10 1.639 -3.554 -8.955 63 2HB SER 10 2HB SER 10 3.016 -4.637 -9.226 64 HG SER 10 HG SER 10 1.241 -3.437 -11.060 65 H SER 11 H SER 11 0.176 -7.808 -10.115 66 HA SER 11 HA SER 11 -2.284 -6.679 -10.943 67 1HB SER 11 1HB SER 11 -2.038 -6.871 -13.320 68 2HB SER 11 2HB SER 11 -0.665 -5.908 -12.746 69 HG SER 11 HG SER 11 0.404 -7.351 -13.959 70 H GLY 12 H GLY 12 -3.830 -8.329 -11.177 71 1HA GLY 12 1HA GLY 12 -4.683 -10.414 -11.303 72 2HA GLY 12 2HA GLY 12 -3.133 -11.002 -11.871 73 H LEU 13 H LEU 13 -3.688 -9.200 -8.804 74 HA LEU 13 HA LEU 13 -2.582 -11.493 -7.389 75 1HB LEU 13 1HB LEU 13 -3.124 -8.710 -6.376 76 2HB LEU 13 2HB LEU 13 -2.145 -9.968 -5.602 77 HG LEU 13 HG LEU 13 -1.519 -8.281 -8.020 78 1HD1 LEU 13 1HD1 LEU 13 0.372 -7.567 -6.805 79 2HD1 LEU 13 2HD1 LEU 13 -0.981 -7.545 -5.649 80 3HD1 LEU 13 3HD1 LEU 13 0.202 -8.875 -5.609 81 1HD2 LEU 13 1HD2 LEU 13 -0.711 -11.053 -7.543 82 2HD2 LEU 13 2HD2 LEU 13 -0.584 -10.051 -9.009 83 3HD2 LEU 13 3HD2 LEU 13 0.663 -9.940 -7.744 84 H SER 14 H SER 14 -3.893 -10.372 -4.852 85 HA SER 14 HA SER 14 -6.664 -10.804 -5.316 86 1HB SER 14 1HB SER 14 -5.370 -13.124 -5.128 87 2HB SER 14 2HB SER 14 -5.461 -12.785 -3.391 88 HG SER 14 HG SER 14 -7.381 -13.776 -5.034 89 H ASP 15 H ASP 15 -7.861 -10.786 -3.066 90 HA ASP 15 HA ASP 15 -7.013 -8.533 -1.722 91 1HB ASP 15 1HB ASP 15 -9.350 -9.384 -1.789 92 2HB ASP 15 2HB ASP 15 -8.883 -10.756 -0.774 93 HD2 ASP 15 HD2 ASP 15 -8.680 -7.315 1.183 94 H GLY 16 H GLY 16 -4.915 -8.690 -0.778 95 1HA GLY 16 1HA GLY 16 -3.743 -9.077 1.204 96 2HA GLY 16 2HA GLY 16 -4.695 -10.516 1.507 97 H THR 17 H THR 17 -3.239 -9.709 -1.672 98 HA THR 17 HA THR 17 -1.905 -12.251 -1.707 99 HB THR 17 HB THR 17 -2.201 -9.880 -3.606 100 HG1 THR 17 1HG THR 17 -3.890 -11.608 -3.076 101 1HG2 THR 17 1HG2 THR 17 -0.286 -12.165 -3.699 102 2HG2 THR 17 2HG2 THR 17 -1.327 -12.021 -5.135 103 3HG2 THR 17 3HG2 THR 17 -0.291 -10.658 -4.646 104 H VAL 18 H VAL 18 -0.413 -12.225 0.012 105 HA VAL 18 HA VAL 18 1.482 -10.126 0.239 106 HB VAL 18 HB VAL 18 1.730 -12.920 1.337 107 1HG1 VAL 18 1HG1 VAL 18 3.055 -10.351 1.769 108 2HG1 VAL 18 2HG1 VAL 18 2.436 -11.060 3.278 109 3HG1 VAL 18 3HG1 VAL 18 3.552 -11.991 2.250 110 1HG2 VAL 18 1HG2 VAL 18 0.481 -11.769 3.360 111 2HG2 VAL 18 2HG2 VAL 18 -0.218 -10.761 2.071 112 3HG2 VAL 18 3HG2 VAL 18 -0.432 -12.528 2.033 113 H VAL 19 H VAL 19 2.514 -9.807 -1.764 114 HA VAL 19 HA VAL 19 4.084 -12.109 -2.696 115 HB VAL 19 HB VAL 19 4.180 -10.432 -4.769 116 1HG1 VAL 19 1HG1 VAL 19 1.985 -11.652 -5.540 117 2HG1 VAL 19 2HG1 VAL 19 3.465 -12.587 -5.221 118 3HG1 VAL 19 3HG1 VAL 19 2.168 -12.530 -4.002 119 1HG2 VAL 19 1HG2 VAL 19 2.710 -8.806 -3.392 120 2HG2 VAL 19 2HG2 VAL 19 2.275 -9.110 -5.091 121 3HG2 VAL 19 3HG2 VAL 19 1.373 -9.916 -3.784 122 H LYS 20 H LYS 20 6.233 -11.397 -3.764 123 HA LYS 20 HA LYS 20 7.750 -10.098 -1.810 124 1HB LYS 20 1HB LYS 20 8.169 -11.334 -4.443 125 2HB LYS 20 2HB LYS 20 9.331 -10.056 -4.045 126 1HG LYS 20 1HG LYS 20 10.027 -11.182 -2.059 127 2HG LYS 20 2HG LYS 20 8.632 -12.275 -2.081 128 1HD LYS 20 1HD LYS 20 9.491 -13.453 -3.997 129 2HD LYS 20 2HD LYS 20 10.746 -12.234 -4.277 130 1HE LYS 20 1HE LYS 20 11.999 -12.934 -2.392 131 2HE LYS 20 2HE LYS 20 10.623 -13.775 -1.662 132 1HZ LYS 20 1HZ LYS 20 11.910 -15.428 -2.579 133 2HZ LYS 20 2HZ LYS 20 10.768 -15.214 -3.727 134 3HZ LYS 20 3HZ LYS 20 12.263 -14.590 -3.936 135 H VAL 21 H VAL 21 8.382 -7.994 -1.511 136 HA VAL 21 HA VAL 21 7.755 -6.105 -3.648 137 HB VAL 21 HB VAL 21 6.885 -5.863 -0.762 138 1HG1 VAL 21 1HG1 VAL 21 5.971 -3.842 -2.709 139 2HG1 VAL 21 2HG1 VAL 21 6.523 -3.653 -1.029 140 3HG1 VAL 21 3HG1 VAL 21 7.712 -3.789 -2.346 141 1HG2 VAL 21 1HG2 VAL 21 5.250 -7.187 -1.723 142 2HG2 VAL 21 2HG2 VAL 21 4.609 -5.556 -2.043 143 3HG2 VAL 21 3HG2 VAL 21 5.447 -6.453 -3.333 144 H ALA 22 H ALA 22 9.200 -4.360 -3.778 145 HA ALA 22 HA ALA 22 11.214 -4.168 -1.679 146 1HB ALA 22 1HB ALA 22 12.756 -3.949 -3.943 147 2HB ALA 22 2HB ALA 22 12.613 -5.423 -2.955 148 3HB ALA 22 3HB ALA 22 11.613 -5.229 -4.415 149 H GLY 23 H GLY 23 12.415 -2.105 -1.791 150 1HA GLY 23 1HA GLY 23 12.703 0.019 -2.852 151 2HA GLY 23 2HA GLY 23 11.062 -0.077 -3.457 152 H ALA 24 H ALA 24 11.475 2.227 -2.239 153 HA ALA 24 HA ALA 24 9.665 2.713 -0.456 154 1HB ALA 24 1HB ALA 24 10.074 1.092 1.153 155 2HB ALA 24 2HB ALA 24 11.838 1.159 0.926 156 3HB ALA 24 3HB ALA 24 11.005 2.455 1.818 157 H GLY 25 H GLY 25 10.949 4.217 1.632 158 1HA GLY 25 1HA GLY 25 11.636 6.543 0.280 159 2HA GLY 25 2HA GLY 25 11.963 6.193 1.966 160 H LEU 26 H LEU 26 13.442 3.648 0.508 161 HA LEU 26 HA LEU 26 15.572 3.117 0.223 162 1HB LEU 26 1HB LEU 26 15.256 3.869 -1.951 163 2HB LEU 26 2HB LEU 26 15.305 5.578 -1.482 164 HG LEU 26 HG LEU 26 17.804 4.604 -0.746 165 1HD1 LEU 26 1HD1 LEU 26 18.572 3.615 -2.992 166 2HD1 LEU 26 2HD1 LEU 26 17.705 2.553 -1.857 167 3HD1 LEU 26 3HD1 LEU 26 16.851 3.240 -3.260 168 1HD2 LEU 26 1HD2 LEU 26 16.928 6.753 -1.986 169 2HD2 LEU 26 2HD2 LEU 26 18.612 6.208 -2.172 170 3HD2 LEU 26 3HD2 LEU 26 17.416 5.849 -3.440 171 H GLN 27 H GLN 27 15.664 3.592 2.655 172 HA GLN 27 HA GLN 27 17.135 5.985 3.262 173 1HB GLN 27 1HB GLN 27 15.554 3.984 4.740 174 2HB GLN 27 2HB GLN 27 17.006 4.508 5.610 175 1HG GLN 27 1HG GLN 27 14.754 5.842 5.881 176 2HG GLN 27 2HG GLN 27 16.275 6.737 5.733 177 1HE2 GLN 27 1HE2 GLN 27 16.624 8.031 4.031 178 2HE2 GLN 27 2HE2 GLN 27 15.505 8.320 2.742 179 H ALA 28 H ALA 28 17.749 2.913 4.957 180 HA ALA 28 HA ALA 28 19.789 1.754 3.765 181 1HB ALA 28 1HB ALA 28 20.633 4.478 4.660 182 2HB ALA 28 2HB ALA 28 21.773 3.142 4.946 183 3HB ALA 28 3HB ALA 28 21.211 3.494 3.294 184 H GLY 29 H GLY 29 18.421 0.420 5.281 185 1HA GLY 29 1HA GLY 29 18.548 -0.981 7.068 186 2HA GLY 29 2HA GLY 29 19.914 -0.078 7.694 187 H THR 30 H THR 30 16.352 0.351 7.085 188 HA THR 30 HA THR 30 16.016 1.216 9.822 189 HB THR 30 HB THR 30 16.639 3.173 7.964 190 HG1 THR 30 1HG THR 30 14.694 3.224 10.164 191 1HG2 THR 30 1HG2 THR 30 14.596 4.367 7.412 192 2HG2 THR 30 2HG2 THR 30 14.378 2.704 6.815 193 3HG2 THR 30 3HG2 THR 30 13.604 3.214 8.336 194 H ALA 31 H ALA 31 13.748 1.343 10.459 195 HA ALA 31 HA ALA 31 12.288 -0.770 9.304 196 1HB ALA 31 1HB ALA 31 11.264 -0.614 11.296 197 2HB ALA 31 2HB ALA 31 12.257 0.819 11.656 198 3HB ALA 31 3HB ALA 31 10.658 1.012 10.899 199 H TYR 32 H TYR 32 10.153 -0.651 8.269 200 HA TYR 32 HA TYR 32 9.466 1.913 7.093 201 1HB TYR 32 1HB TYR 32 10.629 -0.549 5.766 202 2HB TYR 32 2HB TYR 32 9.323 0.258 4.895 203 HD1 TYR 32 1HD TYR 32 12.832 0.207 5.574 204 HD2 TYR 32 2HD TYR 32 9.622 2.790 4.419 205 HE1 TYR 32 1HE TYR 32 14.503 1.872 4.625 206 HE2 TYR 32 2HE TYR 32 11.304 4.446 3.475 207 HH TYR 32 HH TYR 32 13.626 4.329 2.564 208 H ASP 33 H ASP 33 7.632 1.558 8.586 209 HA ASP 33 HA ASP 33 6.052 -0.619 8.645 210 1HB ASP 33 1HB ASP 33 5.945 1.786 9.797 211 2HB ASP 33 2HB ASP 33 4.744 2.101 8.535 212 HD2 ASP 33 HD2 ASP 33 2.349 0.630 10.457 213 H VAL 34 H VAL 34 4.668 -1.613 7.150 214 HA VAL 34 HA VAL 34 4.523 -0.570 4.516 215 HB VAL 34 HB VAL 34 3.258 -2.907 5.942 216 1HG1 VAL 34 1HG1 VAL 34 2.987 -2.066 3.042 217 2HG1 VAL 34 2HG1 VAL 34 2.646 -3.712 3.628 218 3HG1 VAL 34 3HG1 VAL 34 1.689 -2.337 4.229 219 1HG2 VAL 34 1HG2 VAL 34 5.786 -2.763 5.379 220 2HG2 VAL 34 2HG2 VAL 34 4.893 -4.238 4.935 221 3HG2 VAL 34 3HG2 VAL 34 5.267 -3.015 3.695 222 H GLY 35 H GLY 35 2.508 -0.059 3.338 223 1HA GLY 35 1HA GLY 35 0.393 0.985 5.118 224 2HA GLY 35 2HA GLY 35 1.083 1.961 3.836 225 H GLN 36 H GLN 36 -1.314 1.971 3.180 226 HA GLN 36 HA GLN 36 -1.668 0.612 0.894 227 1HB GLN 36 1HB GLN 36 -2.280 -1.086 3.213 228 2HB GLN 36 2HB GLN 36 -3.642 -0.960 2.087 229 1HG GLN 36 1HG GLN 36 -1.215 -1.288 0.570 230 2HG GLN 36 2HG GLN 36 -1.247 -2.530 1.830 231 1HE2 GLN 36 1HE2 GLN 36 -3.528 -0.888 -0.367 232 2HE2 GLN 36 2HE2 GLN 36 -4.345 -2.306 -0.934 233 H CYS 37 H CYS 37 -2.944 2.152 -0.033 234 HA CYS 37 HA CYS 37 -5.201 3.108 1.574 235 1HB CYS 37 1HB CYS 37 -3.857 4.662 -0.617 236 2HB CYS 37 2HB CYS 37 -5.015 5.248 0.591 237 H ALA 38 H ALA 38 -6.849 4.218 -0.228 238 HA ALA 38 HA ALA 38 -7.045 2.362 -2.484 239 1HB ALA 38 1HB ALA 38 -9.433 3.131 -0.782 240 2HB ALA 38 2HB ALA 38 -9.310 1.843 -2.004 241 3HB ALA 38 3HB ALA 38 -8.464 1.677 -0.446 242 H TRP 39 H TRP 39 -8.556 3.214 -4.196 243 HA TRP 39 HA TRP 39 -8.280 6.123 -4.293 244 1HB TRP 39 1HB TRP 39 -7.669 4.134 -6.111 245 2HB TRP 39 2HB TRP 39 -9.194 4.784 -6.717 246 HD1 TRP 39 HD TRP 39 -8.971 7.813 -6.511 247 HE1 TRP 39 1HE TRP 39 -7.122 9.312 -7.649 248 HE3 TRP 39 3HE TRP 39 -5.539 4.099 -7.036 249 HZ2 TRP 39 2HZ TRP 39 -4.490 8.789 -8.619 250 HZ3 TRP 39 3HZ TRP 39 -3.353 4.678 -8.089 251 HH2 TRP 39 HH TRP 39 -2.805 6.929 -8.867 252 H VAL 40 H VAL 40 -10.073 7.393 -4.016 253 HA VAL 40 HA VAL 40 -12.670 6.028 -4.185 254 HB VAL 40 HB VAL 40 -12.136 8.526 -2.606 255 1HG1 VAL 40 1HG1 VAL 40 -13.994 6.457 -1.615 256 2HG1 VAL 40 2HG1 VAL 40 -14.205 8.218 -1.763 257 3HG1 VAL 40 3HG1 VAL 40 -14.445 7.172 -3.182 258 1HG2 VAL 40 1HG2 VAL 40 -10.449 6.900 -1.867 259 2HG2 VAL 40 2HG2 VAL 40 -11.687 7.161 -0.615 260 3HG2 VAL 40 3HG2 VAL 40 -11.724 5.686 -1.610 261 H ASP 41 H ASP 41 -13.546 9.090 -3.762 262 HA ASP 41 HA ASP 41 -14.448 9.483 -6.276 263 1HB ASP 41 1HB ASP 41 -14.376 10.904 -3.824 264 2HB ASP 41 2HB ASP 41 -13.766 12.041 -5.037 265 HD2 ASP 41 HD2 ASP 41 -17.137 12.749 -5.359 266 H THR 42 H THR 42 -13.722 11.942 -7.333 267 HA THR 42 HA THR 42 -11.129 11.384 -8.430 268 HB THR 42 HB THR 42 -13.109 13.690 -8.818 269 HG1 THR 42 1HG THR 42 -13.825 12.274 -10.502 270 1HG2 THR 42 1HG2 THR 42 -11.136 12.672 -10.880 271 2HG2 THR 42 2HG2 THR 42 -11.912 14.270 -10.766 272 3HG2 THR 42 3HG2 THR 42 -10.576 13.849 -9.668 273 H GLY 43 H GLY 43 -9.632 11.509 -6.730 274 1HA GLY 43 1HA GLY 43 -7.910 13.068 -6.112 275 2HA GLY 43 2HA GLY 43 -9.142 14.283 -5.834 276 H VAL 44 H VAL 44 -10.650 11.556 -4.758 277 HA VAL 44 HA VAL 44 -9.884 12.135 -2.016 278 HB VAL 44 HB VAL 44 -12.099 10.413 -3.146 279 1HG1 VAL 44 1HG1 VAL 44 -11.154 10.986 -0.419 280 2HG1 VAL 44 2HG1 VAL 44 -12.893 11.282 -0.656 281 3HG1 VAL 44 3HG1 VAL 44 -12.205 9.681 -1.022 282 1HG2 VAL 44 1HG2 VAL 44 -12.179 13.289 -2.170 283 2HG2 VAL 44 2HG2 VAL 44 -12.349 12.744 -3.856 284 3HG2 VAL 44 3HG2 VAL 44 -13.586 12.311 -2.651 285 H LEU 45 H LEU 45 -8.606 10.823 -0.799 286 HA LEU 45 HA LEU 45 -8.109 8.134 -1.873 287 1HB LEU 45 1HB LEU 45 -6.309 10.142 -1.932 288 2HB LEU 45 2HB LEU 45 -5.946 9.437 -0.348 289 HG LEU 45 HG LEU 45 -4.524 8.554 -2.155 290 1HD1 LEU 45 1HD1 LEU 45 -4.397 6.846 -0.739 291 2HD1 LEU 45 2HD1 LEU 45 -6.119 6.983 -0.310 292 3HD1 LEU 45 3HD1 LEU 45 -5.628 6.028 -1.729 293 1HD2 LEU 45 1HD2 LEU 45 -5.264 7.545 -4.062 294 2HD2 LEU 45 2HD2 LEU 45 -6.793 7.006 -3.325 295 3HD2 LEU 45 3HD2 LEU 45 -6.589 8.706 -3.810 296 H ALA 46 H ALA 46 -8.176 6.448 -0.406 297 HA ALA 46 HA ALA 46 -8.735 7.246 2.370 298 1HB ALA 46 1HB ALA 46 -9.817 4.716 1.146 299 2HB ALA 46 2HB ALA 46 -10.467 5.697 2.482 300 3HB ALA 46 3HB ALA 46 -10.623 6.265 0.802 301 H CYS 47 H CYS 47 -6.747 6.924 3.331 302 HA CYS 47 HA CYS 47 -5.130 4.706 2.551 303 1HB CYS 47 1HB CYS 47 -4.893 7.055 4.298 304 2HB CYS 47 2HB CYS 47 -3.995 5.629 4.847 305 H ASN 48 H ASN 48 -4.513 2.934 4.047 306 HA ASN 48 HA ASN 48 -6.702 2.374 5.884 307 1HB ASN 48 1HB ASN 48 -6.359 0.769 3.976 308 2HB ASN 48 2HB ASN 48 -4.726 0.434 4.569 309 1HD2 ASN 48 1HD2 ASN 48 -5.029 -1.685 5.012 310 2HD2 ASN 48 2HD2 ASN 48 -6.063 -2.296 6.262 311 HA PRO 49 HA PRO 49 -3.156 2.932 8.607 312 1HB PRO 49 1HB PRO 49 -4.557 3.872 10.757 313 2HB PRO 49 2HB PRO 49 -3.880 4.922 9.512 314 1HG PRO 49 1HG PRO 49 -6.665 4.053 9.954 315 2HG PRO 49 2HG PRO 49 -6.065 5.467 9.015 316 1HD PRO 49 1HD PRO 49 -7.078 2.975 8.031 317 2HD PRO 49 2HD PRO 49 -6.352 4.272 7.072 318 H ALA 50 H ALA 50 -4.418 0.445 8.011 319 HA ALA 50 HA ALA 50 -4.128 -0.720 10.688 320 1HB ALA 50 1HB ALA 50 -6.104 -1.808 8.679 321 2HB ALA 50 2HB ALA 50 -6.060 -2.021 10.446 322 3HB ALA 50 3HB ALA 50 -6.562 -0.462 9.750 323 H ASP 51 H ASP 51 -2.827 -0.338 7.688 324 HA ASP 51 HA ASP 51 -2.447 -2.681 6.521 325 1HB ASP 51 1HB ASP 51 0.085 -1.814 6.338 326 2HB ASP 51 2HB ASP 51 -1.237 -1.001 5.486 327 HD2 ASP 51 HD2 ASP 51 -0.753 1.898 7.247 328 H PHE 52 H PHE 52 -0.577 -1.389 9.367 329 HA PHE 52 HA PHE 52 0.462 -2.408 11.029 330 1HB PHE 52 1HB PHE 52 -1.570 -4.199 10.202 331 2HB PHE 52 2HB PHE 52 -0.120 -5.211 10.215 332 HD1 PHE 52 1HD PHE 52 -1.622 -2.567 12.401 333 HD2 PHE 52 2HD PHE 52 0.168 -6.406 12.152 334 HE1 PHE 52 1HE PHE 52 -1.855 -2.837 14.886 335 HE2 PHE 52 2HE PHE 52 -0.064 -6.676 14.637 336 HZ PHE 52 HZ PHE 52 -1.072 -4.888 15.974 337 H SER 53 H SER 53 0.617 -4.532 8.079 338 HA SER 53 HA SER 53 2.868 -5.793 8.350 339 1HB SER 53 1HB SER 53 1.794 -4.262 5.989 340 2HB SER 53 2HB SER 53 3.347 -5.104 5.833 341 HG SER 53 HG SER 53 1.070 -6.483 6.902 342 H SER 54 H SER 54 5.180 -5.448 8.014 343 HA SER 54 HA SER 54 6.045 -2.729 7.746 344 1HB SER 54 1HB SER 54 7.546 -3.035 9.832 345 2HB SER 54 2HB SER 54 5.838 -2.646 10.103 346 HG SER 54 HG SER 54 6.782 -4.431 11.434 347 H VAL 55 H VAL 55 8.205 -2.606 6.941 348 HA VAL 55 HA VAL 55 9.639 -5.145 6.735 349 HB VAL 55 HB VAL 55 8.519 -5.094 4.678 350 1HG1 VAL 55 1HG1 VAL 55 8.071 -3.227 3.337 351 2HG1 VAL 55 2HG1 VAL 55 7.853 -2.612 4.993 352 3HG1 VAL 55 3HG1 VAL 55 9.349 -2.250 4.098 353 1HG2 VAL 55 1HG2 VAL 55 10.976 -5.482 4.538 354 2HG2 VAL 55 2HG2 VAL 55 10.281 -4.817 3.040 355 3HG2 VAL 55 3HG2 VAL 55 11.194 -3.759 4.142 356 H THR 56 H THR 56 11.965 -4.680 5.878 357 HA THR 56 HA THR 56 12.847 -2.087 6.967 358 HB THR 56 HB THR 56 13.761 -4.929 7.485 359 HG1 THR 56 1HG THR 56 13.657 -2.412 8.988 360 1HG2 THR 56 1HG2 THR 56 15.472 -2.411 7.833 361 2HG2 THR 56 2HG2 THR 56 15.881 -4.042 8.416 362 3HG2 THR 56 3HG2 THR 56 15.814 -3.712 6.669 363 H ALA 57 H ALA 57 14.644 -1.085 5.970 364 HA ALA 57 HA ALA 57 14.683 -1.370 3.195 365 1HB ALA 57 1HB ALA 57 15.573 0.667 3.516 366 2HB ALA 57 2HB ALA 57 15.821 0.318 5.244 367 3HB ALA 57 3HB ALA 57 17.081 -0.108 4.061 368 H ASP 58 H ASP 58 16.997 -1.612 2.040 369 HA ASP 58 HA ASP 58 18.297 -3.930 3.219 370 1HB ASP 58 1HB ASP 58 18.459 -4.938 0.949 371 2HB ASP 58 2HB ASP 58 16.779 -4.771 1.482 372 HD2 ASP 58 HD2 ASP 58 16.757 -3.638 -1.879 373 H ALA 59 H ALA 59 20.586 -3.858 2.972 374 HA ALA 59 HA ALA 59 22.186 -1.971 2.902 375 1HB ALA 59 1HB ALA 59 23.322 -3.249 0.696 376 2HB ALA 59 2HB ALA 59 23.508 -3.728 2.401 377 3HB ALA 59 3HB ALA 59 22.249 -4.485 1.396 378 H ASN 60 H ASN 60 20.948 -0.038 2.287 379 HA ASN 60 HA ASN 60 21.834 1.372 0.326 380 1HB ASN 60 1HB ASN 60 21.365 -0.073 -1.495 381 2HB ASN 60 2HB ASN 60 19.787 -0.544 -0.851 382 1HD2 ASN 60 1HD2 ASN 60 19.137 -0.059 -3.068 383 2HD2 ASN 60 2HD2 ASN 60 18.701 1.561 -3.499 384 H GLY 61 H GLY 61 18.720 0.039 1.568 385 1HA GLY 61 1HA GLY 61 17.539 1.561 3.103 386 2HA GLY 61 2HA GLY 61 17.720 2.807 1.885 387 H SER 62 H SER 62 17.354 0.004 0.115 388 HA SER 62 HA SER 62 14.621 0.660 -0.406 389 1HB SER 62 1HB SER 62 16.792 -0.873 -1.719 390 2HB SER 62 2HB SER 62 15.167 -1.527 -1.989 391 HG SER 62 HG SER 62 15.297 -0.046 -3.591 392 H ALA 63 H ALA 63 12.857 -0.419 0.423 393 HA ALA 63 HA ALA 63 13.210 -2.386 2.391 394 1HB ALA 63 1HB ALA 63 10.918 -2.189 2.672 395 2HB ALA 63 2HB ALA 63 11.271 -0.654 1.844 396 3HB ALA 63 3HB ALA 63 10.608 -2.027 0.926 397 H SER 64 H SER 64 12.218 -4.620 2.321 398 HA SER 64 HA SER 64 11.857 -5.788 -0.225 399 1HB SER 64 1HB SER 64 13.751 -7.363 -0.136 400 2HB SER 64 2HB SER 64 14.326 -5.687 -0.226 401 HG SER 64 HG SER 64 14.977 -7.546 1.582 402 H THR 65 H THR 65 10.077 -7.003 0.314 403 HA THR 65 HA THR 65 10.208 -9.231 1.925 404 HB THR 65 HB THR 65 10.307 -6.991 3.558 405 HG1 THR 65 1HG THR 65 8.847 -9.474 4.086 406 1HG2 THR 65 1HG2 THR 65 8.062 -7.033 4.726 407 2HG2 THR 65 2HG2 THR 65 7.973 -6.314 3.100 408 3HG2 THR 65 3HG2 THR 65 7.414 -7.982 3.367 409 H SER 66 H SER 66 7.900 -10.058 2.496 410 HA SER 66 HA SER 66 6.401 -9.625 0.100 411 1HB SER 66 1HB SER 66 5.053 -11.520 0.857 412 2HB SER 66 2HB SER 66 6.775 -11.912 1.015 413 HG SER 66 HG SER 66 6.060 -10.804 3.340 414 H LEU 67 H LEU 67 4.843 -8.056 -0.041 415 HA LEU 67 HA LEU 67 3.618 -7.174 2.471 416 1HB LEU 67 1HB LEU 67 4.025 -5.812 -0.180 417 2HB LEU 67 2HB LEU 67 3.007 -5.150 1.113 418 HG LEU 67 HG LEU 67 5.986 -5.403 0.933 419 1HD1 LEU 67 1HD1 LEU 67 4.826 -3.296 0.348 420 2HD1 LEU 67 2HD1 LEU 67 4.195 -3.209 2.010 421 3HD1 LEU 67 3HD1 LEU 67 5.949 -3.118 1.718 422 1HD2 LEU 67 1HD2 LEU 67 5.711 -6.564 2.958 423 2HD2 LEU 67 2HD2 LEU 67 6.053 -4.883 3.430 424 3HD2 LEU 67 3HD2 LEU 67 4.384 -5.502 3.490 425 H THR 68 H THR 68 1.400 -7.257 2.764 426 HA THR 68 HA THR 68 -0.004 -9.040 1.005 427 HB THR 68 HB THR 68 -0.383 -9.269 3.378 428 HG1 THR 68 1HG THR 68 -2.540 -9.315 2.891 429 1HG2 THR 68 1HG2 THR 68 -0.124 -6.372 3.377 430 2HG2 THR 68 2HG2 THR 68 -1.704 -6.815 4.068 431 3HG2 THR 68 3HG2 THR 68 -0.208 -7.471 4.776 432 H VAL 69 H VAL 69 -0.683 -8.372 -0.939 433 HA VAL 69 HA VAL 69 -1.352 -5.619 -1.357 434 HB VAL 69 HB VAL 69 -1.798 -7.965 -3.202 435 1HG1 VAL 69 1HG1 VAL 69 -1.931 -5.034 -3.437 436 2HG1 VAL 69 2HG1 VAL 69 -0.964 -5.821 -4.707 437 3HG1 VAL 69 3HG1 VAL 69 -2.658 -6.304 -4.452 438 1HG2 VAL 69 1HG2 VAL 69 0.717 -6.352 -3.346 439 2HG2 VAL 69 2HG2 VAL 69 0.599 -7.615 -2.098 440 3HG2 VAL 69 3HG2 VAL 69 0.410 -8.041 -3.816 441 H ARG 70 H ARG 70 -2.965 -5.974 0.620 442 HA ARG 70 HA ARG 70 -5.227 -7.385 0.429 443 1HB ARG 70 1HB ARG 70 -4.941 -4.513 1.424 444 2HB ARG 70 2HB ARG 70 -6.284 -5.591 1.844 445 1HG ARG 70 1HG ARG 70 -5.047 -6.668 3.405 446 2HG ARG 70 2HG ARG 70 -3.647 -6.819 2.327 447 1HD ARG 70 1HD ARG 70 -4.281 -4.100 3.439 448 2HD ARG 70 2HD ARG 70 -3.593 -5.291 4.552 449 HE ARG 70 HE ARG 70 -2.218 -4.923 1.948 450 1HH1 ARG 70 1HH1 ARG 70 -2.299 -4.243 5.400 451 2HH1 ARG 70 2HH1 ARG 70 -0.635 -3.768 5.476 452 1HH2 ARG 70 1HH2 ARG 70 -0.023 -4.297 2.048 453 2HH2 ARG 70 2HH2 ARG 70 0.668 -3.800 3.556 454 H ARG 71 H ARG 71 -7.332 -7.106 -0.509 455 HA ARG 71 HA ARG 71 -7.412 -4.999 -2.518 456 1HB ARG 71 1HB ARG 71 -7.253 -7.166 -3.611 457 2HB ARG 71 2HB ARG 71 -8.550 -7.836 -2.608 458 1HG ARG 71 1HG ARG 71 -9.733 -5.591 -3.743 459 2HG ARG 71 2HG ARG 71 -8.702 -6.185 -5.057 460 1HD ARG 71 1HD ARG 71 -10.945 -7.621 -3.599 461 2HD ARG 71 2HD ARG 71 -10.790 -7.322 -5.337 462 HE ARG 71 HE ARG 71 -8.578 -8.862 -4.787 463 1HH1 ARG 71 1HH1 ARG 71 -11.998 -9.261 -4.060 464 2HH1 ARG 71 2HH1 ARG 71 -11.932 -10.991 -4.082 465 1HH2 ARG 71 1HH2 ARG 71 -8.490 -11.145 -4.817 466 2HH2 ARG 71 2HH2 ARG 71 -9.924 -12.070 -4.515 467 H SER 72 H SER 72 -9.866 -7.375 -1.285 468 HA SER 72 HA SER 72 -11.811 -5.352 -1.125 469 1HB SER 72 1HB SER 72 -13.302 -7.075 -0.470 470 2HB SER 72 2HB SER 72 -12.150 -7.871 -1.557 471 HG SER 72 HG SER 72 -12.731 -8.409 1.069 472 H PHE 73 H PHE 73 -12.059 -3.874 0.507 473 HA PHE 73 HA PHE 73 -12.085 -4.568 3.195 474 1HB PHE 73 1HB PHE 73 -9.902 -4.157 3.885 475 2HB PHE 73 2HB PHE 73 -9.493 -4.498 2.200 476 HD1 PHE 73 1HD PHE 73 -9.580 -2.419 0.600 477 HD2 PHE 73 2HD PHE 73 -9.229 -2.164 4.821 478 HE1 PHE 73 1HE PHE 73 -8.618 -0.112 0.381 479 HE2 PHE 73 2HE PHE 73 -8.268 0.144 4.601 480 HZ PHE 73 HZ PHE 73 -7.974 1.143 2.383 481 H GLU 74 H GLU 74 -11.251 -2.142 4.395 482 HA GLU 74 HA GLU 74 -12.781 -0.179 2.882 483 1HB GLU 74 1HB GLU 74 -13.841 0.588 4.960 484 2HB GLU 74 2HB GLU 74 -14.209 -1.123 4.677 485 1HG GLU 74 1HG GLU 74 -12.212 -1.648 6.202 486 2HG GLU 74 2HG GLU 74 -12.203 0.068 6.639 487 HE2 GLU 74 HE2 GLU 74 -15.142 -0.261 8.493 488 H GLY 75 H GLY 75 -11.590 1.638 2.504 489 1HA GLY 75 1HA GLY 75 -9.190 2.065 4.144 490 2HA GLY 75 2HA GLY 75 -9.509 2.717 2.549 491 H PHE 76 H PHE 76 -8.770 4.066 5.170 492 HA PHE 76 HA PHE 76 -11.149 5.760 5.440 493 1HB PHE 76 1HB PHE 76 -8.835 4.868 7.203 494 2HB PHE 76 2HB PHE 76 -9.612 6.411 7.569 495 HD1 PHE 76 1HD PHE 76 -11.250 6.341 9.177 496 HD2 PHE 76 2HD PHE 76 -10.635 2.901 6.769 497 HE1 PHE 76 1HE PHE 76 -13.025 5.121 10.466 498 HE2 PHE 76 2HE PHE 76 -12.410 1.681 8.057 499 HZ PHE 76 HZ PHE 76 -13.584 2.805 9.890 500 H LEU 77 H LEU 77 -11.004 7.960 5.036 501 HA LEU 77 HA LEU 77 -9.119 8.920 3.326 502 1HB LEU 77 1HB LEU 77 -11.072 10.125 5.207 503 2HB LEU 77 2HB LEU 77 -9.866 11.196 4.471 504 HG LEU 77 HG LEU 77 -11.744 9.398 2.916 505 1HD1 LEU 77 1HD1 LEU 77 -12.245 11.934 4.233 506 2HD1 LEU 77 2HD1 LEU 77 -12.481 12.051 2.472 507 3HD1 LEU 77 3HD1 LEU 77 -13.372 10.828 3.410 508 1HD2 LEU 77 1HD2 LEU 77 -10.827 11.639 1.422 509 2HD2 LEU 77 2HD2 LEU 77 -9.410 10.859 2.167 510 3HD2 LEU 77 3HD2 LEU 77 -10.515 9.908 1.145 511 H PHE 78 H PHE 78 -9.243 9.787 6.857 512 HA PHE 78 HA PHE 78 -6.769 9.100 7.602 513 1HB PHE 78 1HB PHE 78 -6.742 11.191 5.573 514 2HB PHE 78 2HB PHE 78 -6.156 11.893 7.085 515 HD1 PHE 78 1HD PHE 78 -3.907 12.229 6.351 516 HD2 PHE 78 2HD PHE 78 -5.654 8.368 6.142 517 HE1 PHE 78 1HE PHE 78 -1.646 11.230 5.918 518 HE2 PHE 78 2HE PHE 78 -3.393 7.368 5.708 519 HZ PHE 78 HZ PHE 78 -1.416 8.811 5.602 520 H ASP 79 H ASP 79 -9.393 11.443 7.585 521 HA ASP 79 HA ASP 79 -8.588 12.514 10.124 522 1HB ASP 79 1HB ASP 79 -10.659 13.084 8.052 523 2HB ASP 79 2HB ASP 79 -11.118 13.483 9.714 524 HD2 ASP 79 HD2 ASP 79 -7.876 15.503 9.063 525 H GLY 80 H GLY 80 -11.684 11.123 8.771 526 1HA GLY 80 1HA GLY 80 -11.900 9.112 10.776 527 2HA GLY 80 2HA GLY 80 -12.906 10.495 11.163 528 H THR 81 H THR 81 -12.087 9.522 7.812 529 HA THR 81 HA THR 81 -14.860 8.581 7.491 530 HB THR 81 HB THR 81 -13.216 10.424 5.676 531 HG1 THR 81 1HG THR 81 -14.193 11.636 7.322 532 1HG2 THR 81 1HG2 THR 81 -14.698 8.992 4.299 533 2HG2 THR 81 2HG2 THR 81 -16.054 9.296 5.413 534 3HG2 THR 81 3HG2 THR 81 -15.399 10.623 4.423 535 H ARG 82 H ARG 82 -15.171 7.171 5.558 536 HA ARG 82 HA ARG 82 -12.818 5.995 4.506 537 1HB ARG 82 1HB ARG 82 -13.333 3.682 5.318 538 2HB ARG 82 2HB ARG 82 -12.909 4.775 6.647 539 1HG ARG 82 1HG ARG 82 -15.800 4.648 5.946 540 2HG ARG 82 2HG ARG 82 -15.125 3.159 6.626 541 1HD ARG 82 1HD ARG 82 -15.109 4.063 8.697 542 2HD ARG 82 2HD ARG 82 -14.184 5.466 8.137 543 HE ARG 82 HE ARG 82 -16.174 6.688 8.087 544 1HH1 ARG 82 1HH1 ARG 82 -16.951 3.255 8.060 545 2HH1 ARG 82 2HH1 ARG 82 -18.658 3.510 8.204 546 1HH2 ARG 82 1HH2 ARG 82 -18.426 7.024 8.275 547 2HH2 ARG 82 2HH2 ARG 82 -19.502 5.668 8.327 548 H TRP 83 H TRP 83 -13.612 3.866 3.157 549 HA TRP 83 HA TRP 83 -16.358 4.076 2.303 550 1HB TRP 83 1HB TRP 83 -14.681 4.228 -0.046 551 2HB TRP 83 2HB TRP 83 -16.119 5.154 0.385 552 HD1 TRP 83 HD TRP 83 -12.464 5.236 1.810 553 HE1 TRP 83 1HE TRP 83 -11.583 7.721 1.922 554 HE3 TRP 83 3HE TRP 83 -16.645 7.365 -0.150 555 HZ2 TRP 83 2HZ TRP 83 -12.707 10.240 1.195 556 HZ3 TRP 83 3HZ TRP 83 -16.672 9.843 -0.415 557 HH2 TRP 83 HH TRP 83 -14.792 11.270 0.221 558 H GLY 84 H GLY 84 -13.474 2.955 0.459 559 1HA GLY 84 1HA GLY 84 -13.249 0.857 -0.477 560 2HA GLY 84 2HA GLY 84 -12.837 0.549 1.198 561 H THR 85 H THR 85 -14.256 -0.632 2.553 562 HA THR 85 HA THR 85 -15.634 -2.422 2.762 563 HB THR 85 HB THR 85 -16.799 -0.040 3.235 564 HG1 THR 85 1HG THR 85 -18.097 -1.475 4.339 565 1HG2 THR 85 1HG2 THR 85 -17.725 -0.445 0.640 566 2HG2 THR 85 2HG2 THR 85 -19.014 -1.190 1.617 567 3HG2 THR 85 3HG2 THR 85 -18.574 0.515 1.875 568 H VAL 86 H VAL 86 -14.390 -2.456 0.169 569 HA VAL 86 HA VAL 86 -16.156 -4.274 -1.079 570 HB VAL 86 HB VAL 86 -16.868 -1.768 -1.681 571 1HG1 VAL 86 1HG1 VAL 86 -15.001 -2.418 -3.970 572 2HG1 VAL 86 2HG1 VAL 86 -15.878 -0.905 -3.640 573 3HG1 VAL 86 3HG1 VAL 86 -14.507 -1.382 -2.609 574 1HG2 VAL 86 1HG2 VAL 86 -16.905 -3.551 -4.052 575 2HG2 VAL 86 2HG2 VAL 86 -17.547 -4.248 -2.545 576 3HG2 VAL 86 3HG2 VAL 86 -18.242 -2.744 -3.197 577 H ASP 87 H ASP 87 -15.079 -4.556 -3.557 578 HA ASP 87 HA ASP 87 -12.503 -5.476 -2.908 579 1HB ASP 87 1HB ASP 87 -13.332 -5.186 -5.770 580 2HB ASP 87 2HB ASP 87 -12.597 -6.573 -4.956 581 HD2 ASP 87 HD2 ASP 87 -16.384 -6.653 -5.627 582 H CYS 88 H CYS 88 -10.649 -4.197 -2.938 583 HA CYS 88 HA CYS 88 -10.651 -1.568 -3.774 584 1HB CYS 88 1HB CYS 88 -8.607 -3.558 -2.991 585 2HB CYS 88 2HB CYS 88 -8.029 -2.128 -3.864 586 H THR 89 H THR 89 -9.980 -4.646 -5.463 587 HA THR 89 HA THR 89 -8.599 -3.814 -7.665 588 HB THR 89 HB THR 89 -9.277 -6.169 -7.031 589 HG1 THR 89 1HG THR 89 -8.553 -5.738 -9.195 590 1HG2 THR 89 1HG2 THR 89 -11.507 -6.896 -8.105 591 2HG2 THR 89 2HG2 THR 89 -11.658 -5.993 -6.579 592 3HG2 THR 89 3HG2 THR 89 -11.950 -5.172 -8.132 593 H THR 90 H THR 90 -11.837 -2.904 -6.715 594 HA THR 90 HA THR 90 -12.608 -2.117 -9.379 595 HB THR 90 HB THR 90 -13.804 -2.478 -6.719 596 HG1 THR 90 1HG THR 90 -15.275 -3.271 -8.194 597 1HG2 THR 90 1HG2 THR 90 -14.151 -0.098 -6.554 598 2HG2 THR 90 2HG2 THR 90 -14.400 0.059 -8.309 599 3HG2 THR 90 3HG2 THR 90 -15.640 -0.726 -7.300 600 H ALA 91 H ALA 91 -10.791 -0.755 -6.724 601 HA ALA 91 HA ALA 91 -10.921 1.846 -8.093 602 1HB ALA 91 1HB ALA 91 -10.742 1.108 -5.157 603 2HB ALA 91 2HB ALA 91 -10.244 2.710 -5.754 604 3HB ALA 91 3HB ALA 91 -11.924 2.163 -5.970 605 H ALA 92 H ALA 92 -9.099 -0.938 -7.507 606 HA ALA 92 HA ALA 92 -6.960 -1.455 -7.725 607 1HB ALA 92 1HB ALA 92 -5.964 -0.545 -9.564 608 2HB ALA 92 2HB ALA 92 -7.533 0.273 -9.756 609 3HB ALA 92 3HB ALA 92 -6.175 1.123 -8.980 610 H CYS 93 H CYS 93 -7.216 -1.016 -5.238 611 HA CYS 93 HA CYS 93 -6.309 1.231 -4.020 612 1HB CYS 93 1HB CYS 93 -6.305 -1.657 -3.317 613 2HB CYS 93 2HB CYS 93 -5.382 -0.548 -2.283 614 H GLN 94 H GLN 94 -4.044 1.135 -2.647 615 HA GLN 94 HA GLN 94 -1.947 0.221 -4.421 616 1HB GLN 94 1HB GLN 94 -0.787 2.343 -4.386 617 2HB GLN 94 2HB GLN 94 -2.436 2.629 -4.970 618 1HG GLN 94 1HG GLN 94 -2.149 2.826 -2.034 619 2HG GLN 94 2HG GLN 94 -1.181 4.018 -2.914 620 1HE2 GLN 94 1HE2 GLN 94 -4.180 2.552 -4.022 621 2HE2 GLN 94 2HE2 GLN 94 -5.169 3.974 -3.986 622 H VAL 95 H VAL 95 0.086 -0.185 -3.335 623 HA VAL 95 HA VAL 95 -0.103 -0.009 -0.409 624 HB VAL 95 HB VAL 95 -0.558 -2.277 -1.080 625 1HG1 VAL 95 1HG1 VAL 95 1.028 -3.618 -2.379 626 2HG1 VAL 95 2HG1 VAL 95 0.460 -2.218 -3.319 627 3HG1 VAL 95 3HG1 VAL 95 2.080 -2.197 -2.583 628 1HG2 VAL 95 1HG2 VAL 95 1.346 -3.444 0.050 629 2HG2 VAL 95 2HG2 VAL 95 2.243 -1.906 0.030 630 3HG2 VAL 95 3HG2 VAL 95 0.724 -2.038 0.949 631 H GLY 96 H GLY 96 1.383 1.445 0.266 632 1HA GLY 96 1HA GLY 96 3.967 1.501 -1.176 633 2HA GLY 96 2HA GLY 96 3.168 2.927 -0.544 634 H LEU 97 H LEU 97 5.593 2.821 0.413 635 HA LEU 97 HA LEU 97 5.535 1.278 2.898 636 1HB LEU 97 1HB LEU 97 7.547 1.981 0.980 637 2HB LEU 97 2HB LEU 97 8.009 2.578 2.582 638 HG LEU 97 HG LEU 97 8.961 0.511 2.640 639 1HD1 LEU 97 1HD1 LEU 97 7.013 0.756 4.355 640 2HD1 LEU 97 2HD1 LEU 97 6.248 -0.533 3.395 641 3HD1 LEU 97 3HD1 LEU 97 7.831 -0.813 4.160 642 1HD2 LEU 97 1HD2 LEU 97 8.651 -0.498 0.632 643 2HD2 LEU 97 2HD2 LEU 97 7.569 -1.522 1.606 644 3HD2 LEU 97 3HD2 LEU 97 6.896 -0.202 0.620 645 H SER 98 H SER 98 6.049 2.330 4.935 646 HA SER 98 HA SER 98 5.668 5.212 4.824 647 1HB SER 98 1HB SER 98 3.558 4.755 5.574 648 2HB SER 98 2HB SER 98 4.004 3.166 6.223 649 HG SER 98 HG SER 98 4.710 4.103 8.113 650 H ASP 99 H ASP 99 7.433 6.165 5.768 651 HA ASP 99 HA ASP 99 8.769 4.610 7.838 652 1HB ASP 99 1HB ASP 99 10.560 6.575 7.143 653 2HB ASP 99 2HB ASP 99 10.549 4.947 6.446 654 HD2 ASP 99 HD2 ASP 99 10.525 6.760 3.496 655 H ALA 100 H ALA 100 10.249 6.485 9.169 656 HA ALA 100 HA ALA 100 8.208 8.205 10.308 657 1HB ALA 100 1HB ALA 100 9.388 7.982 12.236 658 2HB ALA 100 2HB ALA 100 10.167 6.620 11.396 659 3HB ALA 100 3HB ALA 100 10.953 8.217 11.421 660 H ALA 101 H ALA 101 9.104 8.827 7.612 661 HA ALA 101 HA ALA 101 9.385 11.505 7.713 662 1HB ALA 101 1HB ALA 101 11.854 10.229 8.530 663 2HB ALA 101 2HB ALA 101 12.106 11.127 7.014 664 3HB ALA 101 3HB ALA 101 11.459 11.962 8.446 665 H GLY 102 H GLY 102 8.038 9.676 6.151 666 1HA GLY 102 1HA GLY 102 8.780 10.480 3.535 667 2HA GLY 102 2HA GLY 102 9.251 8.815 3.810 668 H ASN 103 H ASN 103 7.072 8.206 5.733 669 HA ASN 103 HA ASN 103 5.287 7.030 4.227 670 1HB ASN 103 1HB ASN 103 3.571 7.842 6.171 671 2HB ASN 103 2HB ASN 103 4.838 6.644 6.475 672 1HD2 ASN 103 1HD2 ASN 103 4.532 7.410 8.688 673 2HD2 ASN 103 2HD2 ASN 103 5.422 8.788 9.249 674 H GLY 104 H GLY 104 2.960 7.584 3.598 675 1HA GLY 104 1HA GLY 104 1.524 9.747 3.600 676 2HA GLY 104 2HA GLY 104 2.827 10.338 2.589 677 HA PRO 105 HA PRO 105 -0.155 8.129 -0.077 678 1HB PRO 105 1HB PRO 105 -0.920 10.229 -1.647 679 2HB PRO 105 2HB PRO 105 -1.839 9.690 -0.244 680 1HG PRO 105 1HG PRO 105 -0.056 12.019 -0.563 681 2HG PRO 105 2HG PRO 105 -1.339 11.748 0.671 682 1HD PRO 105 1HD PRO 105 1.502 11.569 0.985 683 2HD PRO 105 2HD PRO 105 0.279 11.138 2.186 684 H GLU 106 H GLU 106 0.996 6.806 -1.331 685 HA GLU 106 HA GLU 106 1.898 7.669 -3.743 686 1HB GLU 106 1HB GLU 106 3.793 8.241 -1.579 687 2HB GLU 106 2HB GLU 106 4.512 7.236 -2.849 688 1HG GLU 106 1HG GLU 106 4.533 8.955 -4.327 689 2HG GLU 106 2HG GLU 106 2.884 9.451 -3.922 690 HE2 GLU 106 HE2 GLU 106 5.814 10.965 -1.660 691 H GLY 107 H GLY 107 0.526 5.464 -2.499 692 1HA GLY 107 1HA GLY 107 2.258 3.204 -2.270 693 2HA GLY 107 2HA GLY 107 0.508 3.209 -2.347 694 H VAL 108 H VAL 108 1.626 1.171 -3.689 695 HA VAL 108 HA VAL 108 1.887 2.047 -6.470 696 HB VAL 108 HB VAL 108 3.676 0.674 -5.393 697 1HG1 VAL 108 1HG1 VAL 108 3.323 -1.346 -4.451 698 2HG1 VAL 108 2HG1 VAL 108 1.636 -0.796 -4.322 699 3HG1 VAL 108 3HG1 VAL 108 2.133 -1.828 -5.684 700 1HG2 VAL 108 1HG2 VAL 108 2.381 0.302 -7.946 701 2HG2 VAL 108 2HG2 VAL 108 4.110 0.222 -7.533 702 3HG2 VAL 108 3HG2 VAL 108 3.095 -1.232 -7.393 703 H ALA 109 H ALA 109 0.084 1.977 -7.697 704 HA ALA 109 HA ALA 109 -2.279 0.760 -6.778 705 1HB ALA 109 1HB ALA 109 -3.214 1.864 -8.541 706 2HB ALA 109 2HB ALA 109 -1.633 2.682 -8.601 707 3HB ALA 109 3HB ALA 109 -1.967 1.309 -9.685 708 H ILE 110 H ILE 110 -2.501 -1.412 -6.536 709 HA ILE 110 HA ILE 110 -1.325 -3.091 -8.638 710 HB ILE 110 HB ILE 110 -1.937 -3.664 -5.740 711 1HG1 ILE 110 1HG1 ILE 110 0.712 -3.776 -7.180 712 2HG1 ILE 110 2HG1 ILE 110 0.133 -2.324 -6.345 713 1HG2 ILE 110 1HG2 ILE 110 -0.565 -5.842 -6.623 714 2HG2 ILE 110 2HG2 ILE 110 -2.334 -5.758 -6.448 715 3HG2 ILE 110 3HG2 ILE 110 -1.582 -5.478 -8.038 716 1HD1 ILE 110 1HD1 ILE 110 1.369 -3.359 -4.653 717 2HD1 ILE 110 2HD1 ILE 110 -0.248 -4.033 -4.336 718 3HD1 ILE 110 3HD1 ILE 110 0.961 -4.998 -5.217 719 H SER 111 H SER 111 -2.598 -4.806 -9.533 720 HA SER 111 HA SER 111 -5.439 -4.261 -9.222 721 1HB SER 111 1HB SER 111 -3.759 -5.313 -11.504 722 2HB SER 111 2HB SER 111 -5.505 -5.618 -11.470 723 HG SER 111 HG SER 111 -5.354 -3.056 -10.971 724 H PHE 112 H PHE 112 -6.323 -5.676 -7.743 725 HA PHE 112 HA PHE 112 -5.175 -8.277 -7.388 726 1HB PHE 112 1HB PHE 112 -7.857 -7.294 -6.330 727 2HB PHE 112 2HB PHE 112 -6.668 -8.302 -5.498 728 HD1 PHE 112 1HD PHE 112 -7.642 -4.890 -6.375 729 HD2 PHE 112 2HD PHE 112 -4.763 -7.286 -4.381 730 HE1 PHE 112 1HE PHE 112 -6.756 -2.852 -5.207 731 HE2 PHE 112 2HE PHE 112 -3.877 -5.249 -3.213 732 HZ PHE 112 HZ PHE 112 -4.884 -3.056 -3.640 733 H ASN 113 H ASN 113 -5.719 -10.084 -8.508 734 HA ASN 113 HA ASN 113 -6.734 -11.363 -9.951 735 1HB ASN 113 1HB ASN 113 -8.146 -11.834 -7.997 736 2HB ASN 113 2HB ASN 113 -9.175 -10.438 -8.348 737 1HD2 ASN 113 1HD2 ASN 113 -11.075 -11.266 -8.842 738 2HD2 ASN 113 2HD2 ASN 113 -11.399 -12.462 -10.053 Start of MODEL 11 1 H ALA 1 H ALA 1 18.361 -2.719 -4.485 2 HA ALA 1 HA ALA 1 18.006 -2.457 -7.239 3 1HB ALA 1 1HB ALA 1 15.790 -2.152 -5.202 4 2HB ALA 1 2HB ALA 1 15.758 -2.975 -6.780 5 3HB ALA 1 3HB ALA 1 16.630 -3.707 -5.413 6 H ALA 2 H ALA 2 15.381 -0.845 -6.808 7 HA ALA 2 HA ALA 2 16.673 1.792 -6.962 8 1HB ALA 2 1HB ALA 2 14.889 0.348 -8.753 9 2HB ALA 2 2HB ALA 2 14.165 1.892 -8.242 10 3HB ALA 2 3HB ALA 2 15.766 1.874 -9.019 11 HA PRO 3 HA PRO 3 13.975 3.139 -3.860 12 1HB PRO 3 1HB PRO 3 13.264 5.666 -4.616 13 2HB PRO 3 2HB PRO 3 14.819 5.282 -3.879 14 1HG PRO 3 1HG PRO 3 14.143 5.844 -6.695 15 2HG PRO 3 2HG PRO 3 15.749 5.933 -5.887 16 1HD PRO 3 1HD PRO 3 14.759 3.917 -7.666 17 2HD PRO 3 2HD PRO 3 16.286 3.880 -6.773 18 H THR 4 H THR 4 11.752 4.520 -3.458 19 HA THR 4 HA THR 4 9.539 4.434 -3.660 20 HB THR 4 HB THR 4 8.697 4.732 -5.818 21 HG1 THR 4 1HG THR 4 9.198 3.161 -7.413 22 1HG2 THR 4 1HG2 THR 4 11.482 4.551 -6.935 23 2HG2 THR 4 2HG2 THR 4 10.275 5.846 -7.120 24 3HG2 THR 4 3HG2 THR 4 11.232 5.728 -5.624 25 H ALA 5 H ALA 5 7.865 3.012 -3.208 26 HA ALA 5 HA ALA 5 8.720 0.346 -2.688 27 1HB ALA 5 1HB ALA 5 7.251 1.387 -1.118 28 2HB ALA 5 2HB ALA 5 6.104 1.860 -2.395 29 3HB ALA 5 3HB ALA 5 6.279 0.147 -1.947 30 H THR 6 H THR 6 8.042 -1.594 -3.684 31 HA THR 6 HA THR 6 6.280 -1.415 -5.978 32 HB THR 6 HB THR 6 7.910 -2.043 -7.598 33 HG1 THR 6 1HG THR 6 10.080 -2.745 -6.672 34 1HG2 THR 6 1HG2 THR 6 9.869 -0.551 -7.330 35 2HG2 THR 6 2HG2 THR 6 8.399 0.307 -6.812 36 3HG2 THR 6 3HG2 THR 6 9.512 -0.364 -5.597 37 H VAL 7 H VAL 7 5.479 -3.471 -6.682 38 HA VAL 7 HA VAL 7 6.050 -5.604 -4.744 39 HB VAL 7 HB VAL 7 3.364 -5.135 -6.018 40 1HG1 VAL 7 1HG1 VAL 7 2.667 -6.877 -4.787 41 2HG1 VAL 7 2HG1 VAL 7 4.392 -7.246 -4.557 42 3HG1 VAL 7 3HG1 VAL 7 3.514 -6.301 -3.331 43 1HG2 VAL 7 1HG2 VAL 7 2.779 -4.145 -3.694 44 2HG2 VAL 7 2HG2 VAL 7 4.527 -3.836 -3.557 45 3HG2 VAL 7 3HG2 VAL 7 3.595 -3.104 -4.885 46 H THR 8 H THR 8 6.043 -7.757 -5.580 47 HA THR 8 HA THR 8 7.218 -8.169 -7.976 48 HB THR 8 HB THR 8 5.698 -9.739 -5.973 49 HG1 THR 8 1HG THR 8 7.888 -10.125 -5.961 50 1HG2 THR 8 1HG2 THR 8 6.112 -10.879 -8.785 51 2HG2 THR 8 2HG2 THR 8 5.487 -11.752 -7.365 52 3HG2 THR 8 3HG2 THR 8 4.517 -10.460 -8.114 53 HA PRO 9 HA PRO 9 3.096 -8.587 -10.176 54 1HB PRO 9 1HB PRO 9 0.748 -8.092 -8.867 55 2HB PRO 9 2HB PRO 9 1.421 -9.710 -9.063 56 1HG PRO 9 1HG PRO 9 1.391 -7.942 -6.702 57 2HG PRO 9 2HG PRO 9 1.631 -9.725 -6.767 58 1HD PRO 9 1HD PRO 9 3.591 -7.679 -6.348 59 2HD PRO 9 2HD PRO 9 3.899 -9.406 -6.563 60 H SER 10 H SER 10 0.682 -6.948 -10.121 61 HA SER 10 HA SER 10 1.193 -4.360 -9.553 62 1HB SER 10 1HB SER 10 2.919 -5.163 -11.632 63 2HB SER 10 2HB SER 10 1.647 -4.224 -12.435 64 HG SER 10 HG SER 10 3.466 -2.919 -11.687 65 H SER 11 H SER 11 -0.377 -6.936 -11.160 66 HA SER 11 HA SER 11 -2.820 -5.673 -11.144 67 1HB SER 11 1HB SER 11 -3.306 -5.410 -13.533 68 2HB SER 11 2HB SER 11 -1.945 -4.374 -13.069 69 HG SER 11 HG SER 11 -1.320 -6.981 -14.001 70 H GLY 12 H GLY 12 -4.558 -7.158 -11.903 71 1HA GLY 12 1HA GLY 12 -5.464 -9.190 -12.217 72 2HA GLY 12 2HA GLY 12 -4.045 -9.618 -13.153 73 H LEU 13 H LEU 13 -4.266 -8.649 -9.669 74 HA LEU 13 HA LEU 13 -3.002 -11.215 -9.029 75 1HB LEU 13 1HB LEU 13 -2.605 -9.849 -6.819 76 2HB LEU 13 2HB LEU 13 -1.526 -9.719 -8.220 77 HG LEU 13 HG LEU 13 -3.754 -7.790 -8.199 78 1HD1 LEU 13 1HD1 LEU 13 -1.621 -7.001 -6.306 79 2HD1 LEU 13 2HD1 LEU 13 -3.364 -6.639 -6.302 80 3HD1 LEU 13 3HD1 LEU 13 -2.780 -8.213 -5.714 81 1HD2 LEU 13 1HD2 LEU 13 -0.939 -6.895 -8.290 82 2HD2 LEU 13 2HD2 LEU 13 -1.425 -8.041 -9.562 83 3HD2 LEU 13 3HD2 LEU 13 -2.310 -6.510 -9.358 84 H SER 14 H SER 14 -3.592 -11.373 -6.309 85 HA SER 14 HA SER 14 -6.495 -11.633 -6.430 86 1HB SER 14 1HB SER 14 -4.692 -13.660 -6.153 87 2HB SER 14 2HB SER 14 -4.981 -13.270 -4.448 88 HG SER 14 HG SER 14 -7.082 -13.893 -4.623 89 H ASP 15 H ASP 15 -7.603 -11.466 -4.231 90 HA ASP 15 HA ASP 15 -6.878 -9.101 -3.020 91 1HB ASP 15 1HB ASP 15 -8.653 -9.556 -1.457 92 2HB ASP 15 2HB ASP 15 -9.161 -10.221 -3.017 93 HD2 ASP 15 HD2 ASP 15 -8.727 -13.524 -1.742 94 H GLY 16 H GLY 16 -5.232 -8.721 -1.528 95 1HA GLY 16 1HA GLY 16 -3.900 -9.036 0.278 96 2HA GLY 16 2HA GLY 16 -4.709 -10.553 0.616 97 H THR 17 H THR 17 -3.276 -9.768 -2.571 98 HA THR 17 HA THR 17 -1.853 -12.159 -2.718 99 HB THR 17 HB THR 17 -1.919 -9.511 -4.185 100 HG1 THR 17 1HG THR 17 -3.369 -11.530 -4.355 101 1HG2 THR 17 1HG2 THR 17 0.444 -10.051 -4.429 102 2HG2 THR 17 2HG2 THR 17 0.084 -11.786 -4.594 103 3HG2 THR 17 3HG2 THR 17 -0.371 -10.655 -5.891 104 H VAL 18 H VAL 18 -0.738 -12.483 -0.735 105 HA VAL 18 HA VAL 18 1.235 -10.589 0.077 106 HB VAL 18 HB VAL 18 1.016 -13.468 0.934 107 1HG1 VAL 18 1HG1 VAL 18 1.514 -12.043 3.175 108 2HG1 VAL 18 2HG1 VAL 18 2.792 -12.687 2.116 109 3HG1 VAL 18 3HG1 VAL 18 2.287 -10.987 1.968 110 1HG2 VAL 18 1HG2 VAL 18 -0.501 -12.285 2.786 111 2HG2 VAL 18 2HG2 VAL 18 -0.884 -11.213 1.417 112 3HG2 VAL 18 3HG2 VAL 18 -1.187 -12.963 1.290 113 H VAL 19 H VAL 19 2.595 -10.254 -1.746 114 HA VAL 19 HA VAL 19 4.244 -12.601 -2.392 115 HB VAL 19 HB VAL 19 4.570 -11.596 -4.601 116 1HG1 VAL 19 1HG1 VAL 19 2.000 -11.756 -5.275 117 2HG1 VAL 19 2HG1 VAL 19 2.931 -13.189 -4.778 118 3HG1 VAL 19 3HG1 VAL 19 1.856 -12.377 -3.614 119 1HG2 VAL 19 1HG2 VAL 19 4.282 -9.345 -4.626 120 2HG2 VAL 19 2HG2 VAL 19 2.615 -9.787 -5.071 121 3HG2 VAL 19 3HG2 VAL 19 3.008 -9.382 -3.383 122 H LYS 20 H LYS 20 6.427 -11.578 -3.519 123 HA LYS 20 HA LYS 20 7.704 -10.287 -1.341 124 1HB LYS 20 1HB LYS 20 8.434 -11.785 -3.631 125 2HB LYS 20 2HB LYS 20 9.295 -10.238 -3.726 126 1HG LYS 20 1HG LYS 20 10.485 -10.633 -1.781 127 2HG LYS 20 2HG LYS 20 9.214 -11.636 -1.064 128 1HD LYS 20 1HD LYS 20 9.843 -13.252 -3.096 129 2HD LYS 20 2HD LYS 20 11.387 -12.384 -3.017 130 1HE LYS 20 1HE LYS 20 11.971 -13.790 -1.349 131 2HE LYS 20 2HE LYS 20 10.764 -12.990 -0.330 132 1HZ LYS 20 1HZ LYS 20 10.610 -15.482 -0.697 133 2HZ LYS 20 2HZ LYS 20 9.232 -14.615 -0.817 134 3HZ LYS 20 3HZ LYS 20 9.996 -15.125 -2.168 135 H VAL 21 H VAL 21 8.578 -8.170 -1.213 136 HA VAL 21 HA VAL 21 7.817 -6.337 -3.343 137 HB VAL 21 HB VAL 21 6.933 -6.145 -0.463 138 1HG1 VAL 21 1HG1 VAL 21 7.859 -4.012 -2.019 139 2HG1 VAL 21 2HG1 VAL 21 6.086 -3.933 -2.151 140 3HG1 VAL 21 3HG1 VAL 21 6.860 -3.913 -0.548 141 1HG2 VAL 21 1HG2 VAL 21 4.763 -5.544 -1.974 142 2HG2 VAL 21 2HG2 VAL 21 5.609 -6.666 -3.067 143 3HG2 VAL 21 3HG2 VAL 21 5.166 -7.189 -1.424 144 H ALA 22 H ALA 22 9.257 -4.611 -3.572 145 HA ALA 22 HA ALA 22 11.307 -4.334 -1.514 146 1HB ALA 22 1HB ALA 22 12.695 -5.597 -2.791 147 2HB ALA 22 2HB ALA 22 11.654 -5.459 -4.229 148 3HB ALA 22 3HB ALA 22 12.790 -4.150 -3.823 149 H GLY 23 H GLY 23 12.584 -2.282 -1.840 150 1HA GLY 23 1HA GLY 23 12.813 -0.154 -2.753 151 2HA GLY 23 2HA GLY 23 11.269 -0.315 -3.567 152 H ALA 24 H ALA 24 11.268 2.007 -2.471 153 HA ALA 24 HA ALA 24 9.274 2.432 -0.901 154 1HB ALA 24 1HB ALA 24 9.678 0.876 0.801 155 2HB ALA 24 2HB ALA 24 11.428 1.200 0.819 156 3HB ALA 24 3HB ALA 24 10.297 2.386 1.512 157 H GLY 25 H GLY 25 10.373 4.060 1.295 158 1HA GLY 25 1HA GLY 25 10.964 6.402 -0.126 159 2HA GLY 25 2HA GLY 25 11.141 6.149 1.600 160 H LEU 26 H LEU 26 12.918 3.667 0.282 161 HA LEU 26 HA LEU 26 15.107 3.287 0.309 162 1HB LEU 26 1HB LEU 26 14.918 3.872 -1.939 163 2HB LEU 26 2HB LEU 26 14.836 5.606 -1.587 164 HG LEU 26 HG LEU 26 17.319 4.732 -0.587 165 1HD1 LEU 26 1HD1 LEU 26 18.395 3.667 -2.495 166 2HD1 LEU 26 2HD1 LEU 26 17.062 2.660 -1.876 167 3HD1 LEU 26 3HD1 LEU 26 16.841 3.614 -3.363 168 1HD2 LEU 26 1HD2 LEU 26 18.139 6.444 -1.837 169 2HD2 LEU 26 2HD2 LEU 26 17.181 6.011 -3.273 170 3HD2 LEU 26 3HD2 LEU 26 16.410 6.861 -1.913 171 H GLN 27 H GLN 27 14.700 4.127 2.715 172 HA GLN 27 HA GLN 27 16.010 6.598 3.247 173 1HB GLN 27 1HB GLN 27 14.185 5.999 4.675 174 2HB GLN 27 2HB GLN 27 14.869 4.400 5.016 175 1HG GLN 27 1HG GLN 27 16.341 5.225 6.572 176 2HG GLN 27 2HG GLN 27 16.605 6.738 5.690 177 1HE2 GLN 27 1HE2 GLN 27 16.463 7.500 7.971 178 2HE2 GLN 27 2HE2 GLN 27 14.912 7.959 8.592 179 H ALA 28 H ALA 28 16.703 3.802 5.318 180 HA ALA 28 HA ALA 28 19.004 2.803 4.332 181 1HB ALA 28 1HB ALA 28 19.384 5.570 5.392 182 2HB ALA 28 2HB ALA 28 20.598 4.356 5.861 183 3HB ALA 28 3HB ALA 28 20.292 4.689 4.139 184 H GLY 29 H GLY 29 18.452 0.984 5.500 185 1HA GLY 29 1HA GLY 29 18.073 -0.344 7.278 186 2HA GLY 29 2HA GLY 29 19.329 0.597 8.056 187 H THR 30 H THR 30 16.198 1.956 6.946 188 HA THR 30 HA THR 30 15.545 2.447 9.775 189 HB THR 30 HB THR 30 14.874 3.987 7.213 190 HG1 THR 30 1HG THR 30 16.267 5.531 8.555 191 1HG2 THR 30 1HG2 THR 30 14.302 5.751 9.111 192 2HG2 THR 30 2HG2 THR 30 13.069 4.553 8.650 193 3HG2 THR 30 3HG2 THR 30 14.045 4.307 10.118 194 H ALA 31 H ALA 31 13.220 2.484 10.338 195 HA ALA 31 HA ALA 31 12.015 0.095 9.430 196 1HB ALA 31 1HB ALA 31 10.163 0.840 10.937 197 2HB ALA 31 2HB ALA 31 11.760 0.896 11.719 198 3HB ALA 31 3HB ALA 31 11.000 2.398 11.143 199 H TYR 32 H TYR 32 10.055 -0.186 8.223 200 HA TYR 32 HA TYR 32 9.030 2.171 6.859 201 1HB TYR 32 1HB TYR 32 10.679 -0.107 5.789 202 2HB TYR 32 2HB TYR 32 9.241 0.260 4.830 203 HD1 TYR 32 1HD TYR 32 8.943 2.836 4.240 204 HD2 TYR 32 2HD TYR 32 12.655 0.997 5.311 205 HE1 TYR 32 1HE TYR 32 10.215 4.718 3.096 206 HE2 TYR 32 2HE TYR 32 13.913 2.885 4.165 207 HH TYR 32 HH TYR 32 12.460 5.761 3.311 208 H ASP 33 H ASP 33 7.244 1.589 8.390 209 HA ASP 33 HA ASP 33 5.993 -0.822 8.407 210 1HB ASP 33 1HB ASP 33 5.585 1.546 9.626 211 2HB ASP 33 2HB ASP 33 4.289 1.660 8.426 212 HD2 ASP 33 HD2 ASP 33 3.961 -1.032 11.341 213 H VAL 34 H VAL 34 4.633 -1.899 6.934 214 HA VAL 34 HA VAL 34 4.407 -0.887 4.311 215 HB VAL 34 HB VAL 34 3.262 -3.243 5.797 216 1HG1 VAL 34 1HG1 VAL 34 2.266 -4.085 3.799 217 2HG1 VAL 34 2HG1 VAL 34 1.675 -2.418 4.003 218 3HG1 VAL 34 3HG1 VAL 34 2.955 -2.770 2.818 219 1HG2 VAL 34 1HG2 VAL 34 5.390 -2.917 3.659 220 2HG2 VAL 34 2HG2 VAL 34 5.613 -3.430 5.348 221 3HG2 VAL 34 3HG2 VAL 34 4.756 -4.489 4.202 222 H GLY 35 H GLY 35 2.497 -0.246 3.143 223 1HA GLY 35 1HA GLY 35 0.226 0.550 4.849 224 2HA GLY 35 2HA GLY 35 1.002 1.712 3.791 225 H GLN 36 H GLN 36 -1.577 1.464 3.230 226 HA GLN 36 HA GLN 36 -1.581 0.470 0.633 227 1HB GLN 36 1HB GLN 36 -2.592 -1.348 2.763 228 2HB GLN 36 2HB GLN 36 -3.636 -1.184 1.341 229 1HG GLN 36 1HG GLN 36 -0.954 -1.442 0.396 230 2HG GLN 36 2HG GLN 36 -1.171 -2.681 1.639 231 1HE2 GLN 36 1HE2 GLN 36 -3.192 -1.163 -0.877 232 2HE2 GLN 36 2HE2 GLN 36 -3.758 -2.624 -1.615 233 H CYS 37 H CYS 37 -2.654 2.220 -0.192 234 HA CYS 37 HA CYS 37 -5.120 2.989 1.193 235 1HB CYS 37 1HB CYS 37 -3.468 4.822 -0.517 236 2HB CYS 37 2HB CYS 37 -4.777 5.245 0.601 237 H ALA 38 H ALA 38 -6.672 4.155 -0.487 238 HA ALA 38 HA ALA 38 -6.426 2.846 -3.100 239 1HB ALA 38 1HB ALA 38 -8.712 2.140 -3.022 240 2HB ALA 38 2HB ALA 38 -7.979 1.621 -1.486 241 3HB ALA 38 3HB ALA 38 -9.019 3.064 -1.533 242 H TRP 39 H TRP 39 -7.356 4.035 -4.854 243 HA TRP 39 HA TRP 39 -7.616 6.868 -4.227 244 1HB TRP 39 1HB TRP 39 -6.158 6.800 -5.927 245 2HB TRP 39 2HB TRP 39 -6.766 5.268 -6.560 246 HD1 TRP 39 HD TRP 39 -7.016 9.000 -7.118 247 HE1 TRP 39 1HE TRP 39 -8.618 9.608 -9.125 248 HE3 TRP 39 3HE TRP 39 -8.988 4.343 -7.643 249 HZ2 TRP 39 2HZ TRP 39 -10.487 8.107 -10.673 250 HZ3 TRP 39 3HZ TRP 39 -10.696 4.000 -9.426 251 HH2 TRP 39 HH TRP 39 -11.450 5.788 -10.911 252 H VAL 40 H VAL 40 -9.625 7.763 -4.045 253 HA VAL 40 HA VAL 40 -11.886 6.162 -4.932 254 HB VAL 40 HB VAL 40 -11.695 8.664 -3.243 255 1HG1 VAL 40 1HG1 VAL 40 -14.135 7.163 -2.902 256 2HG1 VAL 40 2HG1 VAL 40 -13.912 8.867 -3.365 257 3HG1 VAL 40 3HG1 VAL 40 -13.925 7.601 -4.614 258 1HG2 VAL 40 1HG2 VAL 40 -10.982 6.076 -2.565 259 2HG2 VAL 40 2HG2 VAL 40 -11.429 7.372 -1.429 260 3HG2 VAL 40 3HG2 VAL 40 -12.657 6.204 -1.975 261 H ASP 41 H ASP 41 -12.550 9.528 -4.733 262 HA ASP 41 HA ASP 41 -12.943 9.552 -7.577 263 1HB ASP 41 1HB ASP 41 -14.375 10.549 -5.457 264 2HB ASP 41 2HB ASP 41 -13.506 12.004 -5.971 265 HD2 ASP 41 HD2 ASP 41 -15.386 10.934 -9.153 266 H THR 42 H THR 42 -10.188 9.507 -6.835 267 HA THR 42 HA THR 42 -8.264 10.540 -7.257 268 HB THR 42 HB THR 42 -10.281 12.084 -8.837 269 HG1 THR 42 1HG THR 42 -8.847 11.244 -10.409 270 1HG2 THR 42 1HG2 THR 42 -8.968 13.996 -7.974 271 2HG2 THR 42 2HG2 THR 42 -7.450 13.116 -8.279 272 3HG2 THR 42 3HG2 THR 42 -8.462 13.646 -9.645 273 H GLY 43 H GLY 43 -10.531 13.274 -6.498 274 1HA GLY 43 1HA GLY 43 -8.608 14.593 -4.881 275 2HA GLY 43 2HA GLY 43 -10.318 14.952 -5.008 276 H VAL 44 H VAL 44 -10.439 11.744 -4.354 277 HA VAL 44 HA VAL 44 -10.247 12.165 -1.450 278 HB VAL 44 HB VAL 44 -12.311 10.545 -2.957 279 1HG1 VAL 44 1HG1 VAL 44 -11.432 10.256 -0.342 280 2HG1 VAL 44 2HG1 VAL 44 -12.880 11.279 -0.180 281 3HG1 VAL 44 3HG1 VAL 44 -12.991 9.700 -0.995 282 1HG2 VAL 44 1HG2 VAL 44 -13.230 12.853 -1.380 283 2HG2 VAL 44 2HG2 VAL 44 -12.226 13.292 -2.782 284 3HG2 VAL 44 3HG2 VAL 44 -13.696 12.317 -3.012 285 H LEU 45 H LEU 45 -9.018 10.695 -0.357 286 HA LEU 45 HA LEU 45 -8.369 8.215 -1.779 287 1HB LEU 45 1HB LEU 45 -6.597 10.013 -1.933 288 2HB LEU 45 2HB LEU 45 -6.355 9.793 -0.191 289 HG LEU 45 HG LEU 45 -6.254 7.221 -1.391 290 1HD1 LEU 45 1HD1 LEU 45 -4.951 9.358 -3.031 291 2HD1 LEU 45 2HD1 LEU 45 -4.117 7.799 -2.826 292 3HD1 LEU 45 3HD1 LEU 45 -5.749 7.849 -3.535 293 1HD2 LEU 45 1HD2 LEU 45 -3.761 7.516 -0.704 294 2HD2 LEU 45 2HD2 LEU 45 -4.317 9.061 -0.016 295 3HD2 LEU 45 3HD2 LEU 45 -5.028 7.528 0.545 296 H ALA 46 H ALA 46 -8.530 6.380 -0.551 297 HA ALA 46 HA ALA 46 -9.093 6.829 2.300 298 1HB ALA 46 1HB ALA 46 -10.008 4.276 1.270 299 2HB ALA 46 2HB ALA 46 -10.945 5.588 2.023 300 3HB ALA 46 3HB ALA 46 -10.639 5.606 0.271 301 H CYS 47 H CYS 47 -7.153 6.487 3.326 302 HA CYS 47 HA CYS 47 -5.354 4.497 2.341 303 1HB CYS 47 1HB CYS 47 -5.331 6.632 4.351 304 2HB CYS 47 2HB CYS 47 -4.376 5.206 4.788 305 H ASN 48 H ASN 48 -4.589 2.667 3.768 306 HA ASN 48 HA ASN 48 -6.841 1.695 5.340 307 1HB ASN 48 1HB ASN 48 -6.060 0.397 3.256 308 2HB ASN 48 2HB ASN 48 -4.574 0.023 4.145 309 1HD2 ASN 48 1HD2 ASN 48 -4.570 -1.848 5.104 310 2HD2 ASN 48 2HD2 ASN 48 -5.927 -2.709 5.750 311 HA PRO 49 HA PRO 49 -3.547 2.320 8.362 312 1HB PRO 49 1HB PRO 49 -5.163 2.985 10.460 313 2HB PRO 49 2HB PRO 49 -4.482 4.176 9.353 314 1HG PRO 49 1HG PRO 49 -7.217 3.080 9.513 315 2HG PRO 49 2HG PRO 49 -6.662 4.604 8.730 316 1HD PRO 49 1HD PRO 49 -7.410 2.133 7.489 317 2HD PRO 49 2HD PRO 49 -6.716 3.550 6.688 318 H ALA 50 H ALA 50 -4.488 -0.197 7.489 319 HA ALA 50 HA ALA 50 -4.341 -1.544 10.089 320 1HB ALA 50 1HB ALA 50 -5.907 -3.279 8.864 321 2HB ALA 50 2HB ALA 50 -6.608 -1.844 9.649 322 3HB ALA 50 3HB ALA 50 -6.371 -1.866 7.885 323 H ASP 51 H ASP 51 -2.821 -0.816 7.272 324 HA ASP 51 HA ASP 51 -2.152 -2.984 5.933 325 1HB ASP 51 1HB ASP 51 0.342 -1.950 6.210 326 2HB ASP 51 2HB ASP 51 -0.901 -1.201 5.195 327 HD2 ASP 51 HD2 ASP 51 -1.037 1.590 7.191 328 H PHE 52 H PHE 52 -0.734 -1.946 9.119 329 HA PHE 52 HA PHE 52 0.222 -3.080 10.751 330 1HB PHE 52 1HB PHE 52 -1.649 -4.838 9.574 331 2HB PHE 52 2HB PHE 52 -0.167 -5.800 9.592 332 HD1 PHE 52 1HD PHE 52 0.008 -7.205 11.397 333 HD2 PHE 52 2HD PHE 52 -1.923 -3.464 11.933 334 HE1 PHE 52 1HE PHE 52 -0.406 -7.763 13.810 335 HE2 PHE 52 2HE PHE 52 -2.337 -4.022 14.344 336 HZ PHE 52 HZ PHE 52 -1.574 -6.165 15.254 337 H SER 53 H SER 53 0.750 -5.013 7.710 338 HA SER 53 HA SER 53 3.065 -6.127 8.144 339 1HB SER 53 1HB SER 53 1.916 -4.756 5.756 340 2HB SER 53 2HB SER 53 3.630 -5.200 5.651 341 HG SER 53 HG SER 53 3.115 -7.348 5.796 342 H SER 54 H SER 54 5.370 -5.595 7.914 343 HA SER 54 HA SER 54 6.002 -2.792 7.823 344 1HB SER 54 1HB SER 54 5.600 -3.129 10.206 345 2HB SER 54 2HB SER 54 6.674 -4.538 10.232 346 HG SER 54 HG SER 54 7.702 -2.583 11.031 347 H VAL 55 H VAL 55 8.207 -2.419 7.174 348 HA VAL 55 HA VAL 55 9.843 -4.807 6.799 349 HB VAL 55 HB VAL 55 8.637 -4.572 4.730 350 1HG1 VAL 55 1HG1 VAL 55 8.942 -2.470 3.345 351 2HG1 VAL 55 2HG1 VAL 55 7.886 -2.310 4.769 352 3HG1 VAL 55 3HG1 VAL 55 9.551 -1.684 4.820 353 1HG2 VAL 55 1HG2 VAL 55 10.459 -4.530 3.210 354 2HG2 VAL 55 2HG2 VAL 55 11.397 -3.425 4.244 355 3HG2 VAL 55 3HG2 VAL 55 11.125 -5.109 4.756 356 H THR 56 H THR 56 12.141 -4.062 6.025 357 HA THR 56 HA THR 56 12.763 -1.518 7.378 358 HB THR 56 HB THR 56 13.995 -4.291 7.572 359 HG1 THR 56 1HG THR 56 12.626 -3.668 9.287 360 1HG2 THR 56 1HG2 THR 56 15.950 -2.881 7.108 361 2HG2 THR 56 2HG2 THR 56 15.320 -1.594 8.165 362 3HG2 THR 56 3HG2 THR 56 15.866 -3.135 8.868 363 H ALA 57 H ALA 57 14.794 -0.480 6.638 364 HA ALA 57 HA ALA 57 14.888 -0.668 3.744 365 1HB ALA 57 1HB ALA 57 16.637 1.289 5.061 366 2HB ALA 57 2HB ALA 57 15.352 1.540 3.856 367 3HB ALA 57 3HB ALA 57 14.941 1.422 5.584 368 H ASP 58 H ASP 58 16.846 -1.017 2.552 369 HA ASP 58 HA ASP 58 18.823 -2.433 4.155 370 1HB ASP 58 1HB ASP 58 19.444 -3.398 1.819 371 2HB ASP 58 2HB ASP 58 17.966 -3.987 2.594 372 HD2 ASP 58 HD2 ASP 58 16.596 -3.362 -0.507 373 H ALA 59 H ALA 59 20.791 -1.347 4.326 374 HA ALA 59 HA ALA 59 22.219 0.367 4.042 375 1HB ALA 59 1HB ALA 59 22.207 -1.351 1.584 376 2HB ALA 59 2HB ALA 59 23.212 0.119 1.570 377 3HB ALA 59 3HB ALA 59 23.475 -1.127 2.814 378 H ASN 60 H ASN 60 21.323 0.507 0.594 379 HA ASN 60 HA ASN 60 21.252 3.145 0.375 380 1HB ASN 60 1HB ASN 60 20.126 0.878 -1.080 381 2HB ASN 60 2HB ASN 60 19.054 2.279 -1.228 382 1HD2 ASN 60 1HD2 ASN 60 20.694 0.960 -3.230 383 2HD2 ASN 60 2HD2 ASN 60 21.781 2.141 -3.879 384 H GLY 61 H GLY 61 18.560 0.967 1.428 385 1HA GLY 61 1HA GLY 61 17.209 1.951 3.266 386 2HA GLY 61 2HA GLY 61 17.012 3.356 2.236 387 H SER 62 H SER 62 17.191 0.567 0.277 388 HA SER 62 HA SER 62 14.468 0.821 -0.399 389 1HB SER 62 1HB SER 62 16.828 -0.742 -1.326 390 2HB SER 62 2HB SER 62 15.247 -1.459 -1.685 391 HG SER 62 HG SER 62 15.307 1.259 -2.237 392 H ALA 63 H ALA 63 12.711 -0.349 0.339 393 HA ALA 63 HA ALA 63 13.095 -2.087 2.555 394 1HB ALA 63 1HB ALA 63 10.810 -1.890 2.808 395 2HB ALA 63 2HB ALA 63 11.118 -0.445 1.815 396 3HB ALA 63 3HB ALA 63 10.501 -1.933 1.056 397 H SER 64 H SER 64 12.321 -4.355 2.661 398 HA SER 64 HA SER 64 12.036 -5.695 0.156 399 1HB SER 64 1HB SER 64 13.915 -7.285 0.602 400 2HB SER 64 2HB SER 64 14.470 -5.633 0.270 401 HG SER 64 HG SER 64 14.693 -5.338 2.591 402 H THR 65 H THR 65 10.186 -6.824 0.666 403 HA THR 65 HA THR 65 10.205 -8.944 2.447 404 HB THR 65 HB THR 65 10.170 -6.610 3.910 405 HG1 THR 65 1HG THR 65 9.233 -8.141 5.509 406 1HG2 THR 65 1HG2 THR 65 7.841 -6.406 4.795 407 2HG2 THR 65 2HG2 THR 65 7.908 -5.940 3.079 408 3HG2 THR 65 3HG2 THR 65 7.272 -7.537 3.543 409 H SER 66 H SER 66 7.830 -9.709 2.907 410 HA SER 66 HA SER 66 6.539 -9.448 0.348 411 1HB SER 66 1HB SER 66 5.849 -11.239 2.711 412 2HB SER 66 2HB SER 66 5.205 -11.388 1.065 413 HG SER 66 HG SER 66 7.742 -11.485 0.616 414 H LEU 67 H LEU 67 4.575 -8.396 0.011 415 HA LEU 67 HA LEU 67 3.270 -7.339 2.423 416 1HB LEU 67 1HB LEU 67 4.103 -6.043 -0.109 417 2HB LEU 67 2HB LEU 67 2.560 -5.533 0.599 418 HG LEU 67 HG LEU 67 3.647 -4.803 2.606 419 1HD1 LEU 67 1HD1 LEU 67 6.282 -4.924 2.563 420 2HD1 LEU 67 2HD1 LEU 67 5.303 -6.271 3.190 421 3HD1 LEU 67 3HD1 LEU 67 5.974 -6.349 1.543 422 1HD2 LEU 67 1HD2 LEU 67 3.681 -3.105 0.989 423 2HD2 LEU 67 2HD2 LEU 67 5.338 -3.148 1.638 424 3HD2 LEU 67 3HD2 LEU 67 4.981 -3.889 0.060 425 H THR 68 H THR 68 0.996 -7.399 2.488 426 HA THR 68 HA THR 68 -0.149 -9.303 0.595 427 HB THR 68 HB THR 68 -0.516 -9.861 2.911 428 HG1 THR 68 1HG THR 68 -2.784 -8.212 2.061 429 1HG2 THR 68 1HG2 THR 68 -0.317 -8.146 4.433 430 2HG2 THR 68 2HG2 THR 68 -0.725 -6.915 3.213 431 3HG2 THR 68 3HG2 THR 68 -2.021 -7.802 4.051 432 H VAL 69 H VAL 69 -0.599 -8.271 -1.306 433 HA VAL 69 HA VAL 69 -1.627 -5.644 -1.379 434 HB VAL 69 HB VAL 69 -1.974 -7.680 -3.558 435 1HG1 VAL 69 1HG1 VAL 69 -2.124 -4.807 -3.309 436 2HG1 VAL 69 2HG1 VAL 69 -0.866 -5.253 -4.487 437 3HG1 VAL 69 3HG1 VAL 69 -2.532 -5.845 -4.697 438 1HG2 VAL 69 1HG2 VAL 69 0.546 -6.504 -3.947 439 2HG2 VAL 69 2HG2 VAL 69 0.527 -7.018 -2.243 440 3HG2 VAL 69 3HG2 VAL 69 0.199 -8.199 -3.532 441 H ARG 70 H ARG 70 -3.270 -6.160 0.435 442 HA ARG 70 HA ARG 70 -5.403 -7.793 0.018 443 1HB ARG 70 1HB ARG 70 -6.629 -6.102 1.550 444 2HB ARG 70 2HB ARG 70 -5.139 -6.817 2.188 445 1HG ARG 70 1HG ARG 70 -4.398 -4.497 0.697 446 2HG ARG 70 2HG ARG 70 -5.767 -4.029 1.719 447 1HD ARG 70 1HD ARG 70 -4.202 -3.765 3.349 448 2HD ARG 70 2HD ARG 70 -4.215 -5.532 3.465 449 HE ARG 70 HE ARG 70 -2.437 -4.762 1.364 450 1HH1 ARG 70 1HH1 ARG 70 -2.672 -4.615 4.872 451 2HH1 ARG 70 2HH1 ARG 70 -0.957 -4.617 5.114 452 1HH2 ARG 70 1HH2 ARG 70 -0.175 -4.765 1.683 453 2HH2 ARG 70 2HH2 ARG 70 0.473 -4.704 3.288 454 H ARG 71 H ARG 71 -7.013 -7.783 -1.521 455 HA ARG 71 HA ARG 71 -7.246 -5.505 -3.197 456 1HB ARG 71 1HB ARG 71 -7.447 -7.590 -4.316 457 2HB ARG 71 2HB ARG 71 -8.556 -8.249 -3.102 458 1HG ARG 71 1HG ARG 71 -10.044 -6.162 -3.923 459 2HG ARG 71 2HG ARG 71 -9.099 -6.392 -5.405 460 1HD ARG 71 1HD ARG 71 -10.171 -8.342 -5.911 461 2HD ARG 71 2HD ARG 71 -10.158 -8.909 -4.234 462 HE ARG 71 HE ARG 71 -12.000 -6.824 -4.244 463 1HH1 ARG 71 1HH1 ARG 71 -11.639 -9.810 -6.071 464 2HH1 ARG 71 2HH1 ARG 71 -13.340 -10.007 -6.329 465 1HH2 ARG 71 1HH2 ARG 71 -14.245 -7.085 -4.585 466 2HH2 ARG 71 2HH2 ARG 71 -14.832 -8.446 -5.478 467 H SER 72 H SER 72 -9.891 -7.498 -1.700 468 HA SER 72 HA SER 72 -11.509 -5.170 -1.515 469 1HB SER 72 1HB SER 72 -13.271 -6.629 -1.005 470 2HB SER 72 2HB SER 72 -12.225 -7.630 -2.028 471 HG SER 72 HG SER 72 -11.259 -8.329 0.143 472 H PHE 73 H PHE 73 -10.812 -3.711 0.058 473 HA PHE 73 HA PHE 73 -10.891 -4.708 2.790 474 1HB PHE 73 1HB PHE 73 -8.716 -3.814 3.272 475 2HB PHE 73 2HB PHE 73 -8.486 -4.572 1.694 476 HD1 PHE 73 1HD PHE 73 -7.435 -3.337 0.055 477 HD2 PHE 73 2HD PHE 73 -9.457 -1.279 3.167 478 HE1 PHE 73 1HE PHE 73 -6.617 -1.148 -0.861 479 HE2 PHE 73 2HE PHE 73 -8.639 0.910 2.251 480 HZ PHE 73 HZ PHE 73 -7.228 0.949 0.247 481 H GLU 74 H GLU 74 -11.236 -2.984 4.390 482 HA GLU 74 HA GLU 74 -12.875 -0.947 3.265 483 1HB GLU 74 1HB GLU 74 -13.045 -0.306 5.786 484 2HB GLU 74 2HB GLU 74 -13.755 -1.841 5.255 485 1HG GLU 74 1HG GLU 74 -12.161 -3.100 6.346 486 2HG GLU 74 2HG GLU 74 -10.879 -1.903 6.100 487 HE2 GLU 74 HE2 GLU 74 -13.367 -0.809 8.996 488 H GLY 75 H GLY 75 -12.217 1.078 2.686 489 1HA GLY 75 1HA GLY 75 -9.571 1.965 3.637 490 2HA GLY 75 2HA GLY 75 -10.370 2.472 2.162 491 H PHE 76 H PHE 76 -9.294 4.147 4.380 492 HA PHE 76 HA PHE 76 -11.797 5.538 4.997 493 1HB PHE 76 1HB PHE 76 -11.078 4.402 7.041 494 2HB PHE 76 2HB PHE 76 -9.384 4.813 6.747 495 HD1 PHE 76 1HD PHE 76 -12.626 6.654 7.082 496 HD2 PHE 76 2HD PHE 76 -8.533 6.396 8.172 497 HE1 PHE 76 1HE PHE 76 -12.883 8.687 8.532 498 HE2 PHE 76 2HE PHE 76 -8.790 8.429 9.622 499 HZ PHE 76 HZ PHE 76 -10.962 9.550 9.785 500 H LEU 77 H LEU 77 -11.708 7.798 4.852 501 HA LEU 77 HA LEU 77 -10.007 8.964 3.119 502 1HB LEU 77 1HB LEU 77 -11.604 10.008 5.419 503 2HB LEU 77 2HB LEU 77 -10.581 11.109 4.478 504 HG LEU 77 HG LEU 77 -13.123 10.789 3.917 505 1HD1 LEU 77 1HD1 LEU 77 -11.292 12.099 2.685 506 2HD1 LEU 77 2HD1 LEU 77 -11.227 10.710 1.575 507 3HD1 LEU 77 3HD1 LEU 77 -12.741 11.625 1.768 508 1HD2 LEU 77 1HD2 LEU 77 -11.864 8.376 2.601 509 2HD2 LEU 77 2HD2 LEU 77 -13.263 8.436 3.700 510 3HD2 LEU 77 3HD2 LEU 77 -13.395 9.099 2.054 511 H PHE 78 H PHE 78 -9.678 9.256 6.732 512 HA PHE 78 HA PHE 78 -7.212 8.513 7.167 513 1HB PHE 78 1HB PHE 78 -6.076 9.730 5.505 514 2HB PHE 78 2HB PHE 78 -7.295 11.008 5.469 515 HD1 PHE 78 1HD PHE 78 -4.227 9.811 7.059 516 HD2 PHE 78 2HD PHE 78 -7.142 12.894 6.992 517 HE1 PHE 78 1HE PHE 78 -2.707 11.277 8.417 518 HE2 PHE 78 2HE PHE 78 -5.623 14.360 8.350 519 HZ PHE 78 HZ PHE 78 -3.424 13.533 9.046 520 H ASP 79 H ASP 79 -9.568 11.135 7.475 521 HA ASP 79 HA ASP 79 -9.663 10.972 10.191 522 1HB ASP 79 1HB ASP 79 -7.299 12.145 9.656 523 2HB ASP 79 2HB ASP 79 -8.317 13.591 9.557 524 HD2 ASP 79 HD2 ASP 79 -8.048 13.898 12.940 525 H GLY 80 H GLY 80 -11.664 11.078 8.421 526 1HA GLY 80 1HA GLY 80 -13.041 13.524 9.000 527 2HA GLY 80 2HA GLY 80 -12.570 13.412 7.315 528 H THR 81 H THR 81 -12.981 11.013 6.362 529 HA THR 81 HA THR 81 -15.515 9.985 7.408 530 HB THR 81 HB THR 81 -14.964 11.179 4.662 531 HG1 THR 81 1HG THR 81 -16.023 12.349 6.478 532 1HG2 THR 81 1HG2 THR 81 -15.949 8.893 4.284 533 2HG2 THR 81 2HG2 THR 81 -17.242 9.283 5.443 534 3HG2 THR 81 3HG2 THR 81 -17.117 10.185 3.914 535 H ARG 82 H ARG 82 -16.119 7.888 6.172 536 HA ARG 82 HA ARG 82 -13.682 6.520 5.412 537 1HB ARG 82 1HB ARG 82 -14.327 6.121 7.883 538 2HB ARG 82 2HB ARG 82 -15.733 5.232 7.270 539 1HG ARG 82 1HG ARG 82 -14.382 3.561 6.278 540 2HG ARG 82 2HG ARG 82 -12.926 4.572 6.316 541 1HD ARG 82 1HD ARG 82 -12.398 3.432 8.208 542 2HD ARG 82 2HD ARG 82 -13.642 4.405 9.009 543 HE ARG 82 HE ARG 82 -14.948 2.214 7.770 544 1HH1 ARG 82 1HH1 ARG 82 -12.599 2.756 10.335 545 2HH1 ARG 82 2HH1 ARG 82 -13.051 1.338 11.222 546 1HH2 ARG 82 1HH2 ARG 82 -15.545 0.345 8.940 547 2HH2 ARG 82 2HH2 ARG 82 -14.738 -0.042 10.424 548 H TRP 83 H TRP 83 -14.070 4.633 4.013 549 HA TRP 83 HA TRP 83 -16.681 4.806 2.702 550 1HB TRP 83 1HB TRP 83 -14.045 3.662 1.777 551 2HB TRP 83 2HB TRP 83 -15.546 3.619 0.850 552 HD1 TRP 83 HD TRP 83 -12.520 5.525 0.806 553 HE1 TRP 83 1HE TRP 83 -12.739 7.984 -0.128 554 HE3 TRP 83 3HE TRP 83 -17.579 5.802 1.241 555 HZ2 TRP 83 2HZ TRP 83 -14.953 9.729 -0.568 556 HZ3 TRP 83 3HZ TRP 83 -18.691 7.919 0.537 557 HH2 TRP 83 HH TRP 83 -17.463 9.840 -0.342 558 H GLY 84 H GLY 84 -14.195 2.216 3.319 559 1HA GLY 84 1HA GLY 84 -14.500 0.309 4.598 560 2HA GLY 84 2HA GLY 84 -16.226 0.601 4.665 561 H THR 85 H THR 85 -15.251 -1.960 4.060 562 HA THR 85 HA THR 85 -14.831 -3.380 2.245 563 HB THR 85 HB THR 85 -17.663 -2.650 2.890 564 HG1 THR 85 1HG THR 85 -17.327 -4.648 3.822 565 1HG2 THR 85 1HG2 THR 85 -18.195 -3.042 0.607 566 2HG2 THR 85 2HG2 THR 85 -16.826 -4.159 0.388 567 3HG2 THR 85 3HG2 THR 85 -18.264 -4.682 1.298 568 H VAL 86 H VAL 86 -13.434 -2.026 0.899 569 HA VAL 86 HA VAL 86 -14.906 -1.034 -1.445 570 HB VAL 86 HB VAL 86 -12.326 -0.131 -0.165 571 1HG1 VAL 86 1HG1 VAL 86 -11.576 0.463 -2.182 572 2HG1 VAL 86 2HG1 VAL 86 -13.094 -0.049 -2.959 573 3HG1 VAL 86 3HG1 VAL 86 -12.944 1.597 -2.297 574 1HG2 VAL 86 1HG2 VAL 86 -13.961 1.034 0.949 575 2HG2 VAL 86 2HG2 VAL 86 -13.722 2.113 -0.447 576 3HG2 VAL 86 3HG2 VAL 86 -15.095 0.979 -0.423 577 H ASP 87 H ASP 87 -14.567 -2.087 -3.342 578 HA ASP 87 HA ASP 87 -12.825 -4.324 -3.285 579 1HB ASP 87 1HB ASP 87 -13.955 -3.362 -5.877 580 2HB ASP 87 2HB ASP 87 -13.950 -4.997 -5.197 581 HD2 ASP 87 HD2 ASP 87 -17.249 -3.102 -5.104 582 H CYS 88 H CYS 88 -10.609 -3.912 -3.508 583 HA CYS 88 HA CYS 88 -9.507 -1.635 -4.542 584 1HB CYS 88 1HB CYS 88 -8.561 -4.372 -3.964 585 2HB CYS 88 2HB CYS 88 -7.532 -3.394 -5.028 586 H THR 89 H THR 89 -10.991 -4.390 -6.132 587 HA THR 89 HA THR 89 -9.683 -3.982 -8.659 588 HB THR 89 HB THR 89 -11.022 -5.870 -9.326 589 HG1 THR 89 1HG THR 89 -12.603 -4.927 -7.045 590 1HG2 THR 89 1HG2 THR 89 -9.448 -6.352 -7.317 591 2HG2 THR 89 2HG2 THR 89 -10.901 -6.228 -6.295 592 3HG2 THR 89 3HG2 THR 89 -10.798 -7.489 -7.548 593 H THR 90 H THR 90 -11.616 -1.955 -7.027 594 HA THR 90 HA THR 90 -13.026 -1.140 -9.485 595 HB THR 90 HB THR 90 -13.891 -1.384 -6.599 596 HG1 THR 90 1HG THR 90 -14.995 -2.799 -7.915 597 1HG2 THR 90 1HG2 THR 90 -14.255 1.040 -7.075 598 2HG2 THR 90 2HG2 THR 90 -15.020 0.621 -8.626 599 3HG2 THR 90 3HG2 THR 90 -15.803 0.161 -7.095 600 H ALA 91 H ALA 91 -10.633 -0.418 -7.122 601 HA ALA 91 HA ALA 91 -10.434 2.261 -8.256 602 1HB ALA 91 1HB ALA 91 -11.367 1.669 -5.595 603 2HB ALA 91 2HB ALA 91 -9.773 2.453 -5.487 604 3HB ALA 91 3HB ALA 91 -11.103 3.256 -6.357 605 H ALA 92 H ALA 92 -9.121 -0.625 -8.161 606 HA ALA 92 HA ALA 92 -7.062 -1.495 -7.708 607 1HB ALA 92 1HB ALA 92 -6.415 -1.171 -9.839 608 2HB ALA 92 2HB ALA 92 -7.200 0.427 -9.896 609 3HB ALA 92 3HB ALA 92 -5.539 0.273 -9.276 610 H CYS 93 H CYS 93 -7.134 -0.786 -5.357 611 HA CYS 93 HA CYS 93 -6.083 1.557 -4.441 612 1HB CYS 93 1HB CYS 93 -5.550 -1.073 -3.099 613 2HB CYS 93 2HB CYS 93 -5.819 0.515 -2.354 614 H GLN 94 H GLN 94 -3.811 1.282 -2.964 615 HA GLN 94 HA GLN 94 -1.816 0.118 -4.710 616 1HB GLN 94 1HB GLN 94 -0.436 2.157 -4.637 617 2HB GLN 94 2HB GLN 94 -1.996 2.482 -5.412 618 1HG GLN 94 1HG GLN 94 -1.600 2.942 -2.445 619 2HG GLN 94 2HG GLN 94 -1.083 4.166 -3.615 620 1HE2 GLN 94 1HE2 GLN 94 -2.724 5.341 -2.270 621 2HE2 GLN 94 2HE2 GLN 94 -4.370 5.334 -2.808 622 H VAL 95 H VAL 95 0.216 -0.364 -3.612 623 HA VAL 95 HA VAL 95 0.001 -0.147 -0.689 624 HB VAL 95 HB VAL 95 -0.528 -2.405 -1.437 625 1HG1 VAL 95 1HG1 VAL 95 2.271 -2.576 -2.588 626 2HG1 VAL 95 2HG1 VAL 95 0.963 -3.780 -2.687 627 3HG1 VAL 95 3HG1 VAL 95 0.827 -2.244 -3.575 628 1HG2 VAL 95 1HG2 VAL 95 1.560 -1.671 0.388 629 2HG2 VAL 95 2HG2 VAL 95 0.426 -3.040 0.474 630 3HG2 VAL 95 3HG2 VAL 95 1.980 -3.225 -0.373 631 H GLY 96 H GLY 96 1.583 1.134 0.100 632 1HA GLY 96 1HA GLY 96 4.203 1.056 -1.267 633 2HA GLY 96 2HA GLY 96 3.438 2.569 -0.822 634 H LEU 97 H LEU 97 5.957 2.013 0.198 635 HA LEU 97 HA LEU 97 5.583 0.878 2.839 636 1HB LEU 97 1HB LEU 97 7.926 1.754 1.196 637 2HB LEU 97 2HB LEU 97 8.093 1.492 2.940 638 HG LEU 97 HG LEU 97 8.777 -0.528 2.064 639 1HD1 LEU 97 1HD1 LEU 97 5.804 -1.036 2.329 640 2HD1 LEU 97 2HD1 LEU 97 7.140 -2.178 2.612 641 3HD1 LEU 97 3HD1 LEU 97 6.906 -0.794 3.706 642 1HD2 LEU 97 1HD2 LEU 97 8.324 -0.057 -0.271 643 2HD2 LEU 97 2HD2 LEU 97 7.730 -1.680 0.154 644 3HD2 LEU 97 3HD2 LEU 97 6.584 -0.331 -0.018 645 H SER 98 H SER 98 5.785 2.039 4.790 646 HA SER 98 HA SER 98 5.727 4.931 4.408 647 1HB SER 98 1HB SER 98 3.625 4.801 5.221 648 2HB SER 98 2HB SER 98 3.838 3.129 5.768 649 HG SER 98 HG SER 98 3.437 4.717 7.500 650 H ASP 99 H ASP 99 7.192 6.100 5.643 651 HA ASP 99 HA ASP 99 8.608 4.548 7.665 652 1HB ASP 99 1HB ASP 99 10.274 6.661 7.084 653 2HB ASP 99 2HB ASP 99 10.412 5.050 6.361 654 HD2 ASP 99 HD2 ASP 99 10.359 6.907 3.439 655 H ALA 100 H ALA 100 9.931 6.503 9.073 656 HA ALA 100 HA ALA 100 7.738 8.017 10.223 657 1HB ALA 100 1HB ALA 100 8.841 7.574 12.128 658 2HB ALA 100 2HB ALA 100 10.054 6.674 11.186 659 3HB ALA 100 3HB ALA 100 10.290 8.407 11.518 660 H ALA 101 H ALA 101 9.080 8.613 7.514 661 HA ALA 101 HA ALA 101 8.986 11.379 7.693 662 1HB ALA 101 1HB ALA 101 11.757 10.159 7.888 663 2HB ALA 101 2HB ALA 101 11.483 11.794 7.242 664 3HB ALA 101 3HB ALA 101 11.024 11.412 8.919 665 H GLY 102 H GLY 102 7.726 9.637 6.050 666 1HA GLY 102 1HA GLY 102 8.544 10.483 3.472 667 2HA GLY 102 2HA GLY 102 9.009 8.813 3.730 668 H ASN 103 H ASN 103 6.785 8.147 5.567 669 HA ASN 103 HA ASN 103 5.039 7.027 3.960 670 1HB ASN 103 1HB ASN 103 3.283 7.684 5.906 671 2HB ASN 103 2HB ASN 103 4.592 6.529 6.196 672 1HD2 ASN 103 1HD2 ASN 103 4.175 7.211 8.428 673 2HD2 ASN 103 2HD2 ASN 103 5.001 8.594 9.063 674 H GLY 104 H GLY 104 2.690 7.610 3.378 675 1HA GLY 104 1HA GLY 104 1.222 9.715 3.438 676 2HA GLY 104 2HA GLY 104 2.552 10.434 2.552 677 HA PRO 105 HA PRO 105 -0.142 8.552 -0.557 678 1HB PRO 105 1HB PRO 105 -0.371 10.738 -2.177 679 2HB PRO 105 2HB PRO 105 -1.544 10.342 -0.923 680 1HG PRO 105 1HG PRO 105 0.583 12.385 -0.952 681 2HG PRO 105 2HG PRO 105 -0.882 12.306 0.089 682 1HD PRO 105 1HD PRO 105 1.832 11.716 0.785 683 2HD PRO 105 2HD PRO 105 0.406 11.470 1.801 684 H GLU 106 H GLU 106 1.005 7.064 -1.620 685 HA GLU 106 HA GLU 106 2.261 7.672 -3.912 686 1HB GLU 106 1HB GLU 106 3.964 8.291 -1.594 687 2HB GLU 106 2HB GLU 106 4.743 7.190 -2.743 688 1HG GLU 106 1HG GLU 106 3.385 9.292 -4.192 689 2HG GLU 106 2HG GLU 106 4.416 10.026 -2.955 690 HE2 GLU 106 HE2 GLU 106 6.080 8.535 -6.143 691 H GLY 107 H GLY 107 0.623 5.648 -2.860 692 1HA GLY 107 1HA GLY 107 2.148 3.323 -2.165 693 2HA GLY 107 2HA GLY 107 0.437 3.415 -2.535 694 H VAL 108 H VAL 108 1.650 1.228 -3.531 695 HA VAL 108 HA VAL 108 2.536 1.843 -6.236 696 HB VAL 108 HB VAL 108 2.450 -0.706 -4.611 697 1HG1 VAL 108 1HG1 VAL 108 4.107 -0.690 -7.037 698 2HG1 VAL 108 2HG1 VAL 108 2.989 -1.929 -6.418 699 3HG1 VAL 108 3HG1 VAL 108 2.363 -0.559 -7.366 700 1HG2 VAL 108 1HG2 VAL 108 4.741 1.098 -5.456 701 2HG2 VAL 108 2HG2 VAL 108 4.131 0.841 -3.804 702 3HG2 VAL 108 3HG2 VAL 108 4.929 -0.491 -4.674 703 H ALA 109 H ALA 109 0.840 2.318 -7.570 704 HA ALA 109 HA ALA 109 -1.752 1.387 -7.224 705 1HB ALA 109 1HB ALA 109 -0.174 2.534 -9.535 706 2HB ALA 109 2HB ALA 109 -1.864 2.018 -9.751 707 3HB ALA 109 3HB ALA 109 -1.465 3.291 -8.572 708 H ILE 110 H ILE 110 -2.123 -0.794 -6.980 709 HA ILE 110 HA ILE 110 -1.035 -2.515 -9.097 710 HB ILE 110 HB ILE 110 -1.673 -3.040 -6.203 711 1HG1 ILE 110 1HG1 ILE 110 0.838 -3.752 -7.691 712 2HG1 ILE 110 2HG1 ILE 110 0.592 -2.112 -7.061 713 1HG2 ILE 110 1HG2 ILE 110 -2.511 -5.011 -6.912 714 2HG2 ILE 110 2HG2 ILE 110 -1.703 -4.917 -8.496 715 3HG2 ILE 110 3HG2 ILE 110 -0.790 -5.440 -7.060 716 1HD1 ILE 110 1HD1 ILE 110 -0.064 -3.464 -4.839 717 2HD1 ILE 110 2HD1 ILE 110 0.958 -4.713 -5.590 718 3HD1 ILE 110 3HD1 ILE 110 1.635 -3.106 -5.235 719 H SER 111 H SER 111 -2.444 -4.060 -10.085 720 HA SER 111 HA SER 111 -5.204 -3.191 -9.914 721 1HB SER 111 1HB SER 111 -3.536 -3.716 -12.074 722 2HB SER 111 2HB SER 111 -4.536 -5.176 -11.994 723 HG SER 111 HG SER 111 -6.413 -3.882 -12.179 724 H PHE 112 H PHE 112 -6.424 -4.356 -8.467 725 HA PHE 112 HA PHE 112 -5.683 -7.108 -7.940 726 1HB PHE 112 1HB PHE 112 -7.917 -5.305 -6.850 727 2HB PHE 112 2HB PHE 112 -7.346 -6.795 -6.096 728 HD1 PHE 112 1HD PHE 112 -6.227 -3.383 -7.074 729 HD2 PHE 112 2HD PHE 112 -5.668 -6.697 -4.484 730 HE1 PHE 112 1HE PHE 112 -4.583 -2.052 -5.724 731 HE2 PHE 112 2HE PHE 112 -4.023 -5.366 -3.134 732 HZ PHE 112 HZ PHE 112 -3.500 -3.059 -3.771 733 H ASN 113 H ASN 113 -6.822 -8.894 -8.615 734 HA ASN 113 HA ASN 113 -8.103 -9.999 -10.012 735 1HB ASN 113 1HB ASN 113 -9.559 -9.116 -7.813 736 2HB ASN 113 2HB ASN 113 -10.619 -8.658 -9.155 737 1HD2 ASN 113 1HD2 ASN 113 -12.160 -10.165 -8.606 738 2HD2 ASN 113 2HD2 ASN 113 -11.970 -11.867 -8.858 Start of MODEL 12 1 H ALA 1 H ALA 1 15.412 8.816 -9.409 2 HA ALA 1 HA ALA 1 16.162 7.245 -7.040 3 1HB ALA 1 1HB ALA 1 17.223 9.786 -8.055 4 2HB ALA 1 2HB ALA 1 16.608 9.920 -6.391 5 3HB ALA 1 3HB ALA 1 17.856 8.714 -6.783 6 H ALA 2 H ALA 2 13.925 6.649 -6.785 7 HA ALA 2 HA ALA 2 12.296 8.911 -5.860 8 1HB ALA 2 1HB ALA 2 10.356 7.356 -6.729 9 2HB ALA 2 2HB ALA 2 11.232 8.401 -7.873 10 3HB ALA 2 3HB ALA 2 11.631 6.669 -7.765 11 HA PRO 3 HA PRO 3 12.370 6.302 -2.346 12 1HB PRO 3 1HB PRO 3 11.226 8.068 -0.604 13 2HB PRO 3 2HB PRO 3 12.955 8.034 -0.946 14 1HG PRO 3 1HG PRO 3 10.872 9.897 -1.889 15 2HG PRO 3 2HG PRO 3 12.655 10.138 -1.841 16 1HD PRO 3 1HD PRO 3 10.995 9.578 -4.106 17 2HD PRO 3 2HD PRO 3 12.763 9.647 -4.085 18 H THR 4 H THR 4 11.053 4.616 -2.952 19 HA THR 4 HA THR 4 8.577 4.544 -1.654 20 HB THR 4 HB THR 4 7.538 4.377 -4.262 21 HG1 THR 4 1HG THR 4 8.499 6.174 -5.308 22 1HG2 THR 4 1HG2 THR 4 6.102 6.012 -3.501 23 2HG2 THR 4 2HG2 THR 4 6.944 5.801 -1.948 24 3HG2 THR 4 3HG2 THR 4 7.442 7.098 -3.060 25 H ALA 5 H ALA 5 7.477 2.488 -1.933 26 HA ALA 5 HA ALA 5 9.404 0.469 -2.772 27 1HB ALA 5 1HB ALA 5 8.515 -0.810 -1.117 28 2HB ALA 5 2HB ALA 5 7.860 0.734 -0.521 29 3HB ALA 5 3HB ALA 5 6.844 -0.339 -1.514 30 H THR 6 H THR 6 8.297 -1.591 -3.775 31 HA THR 6 HA THR 6 6.055 -0.928 -5.493 32 HB THR 6 HB THR 6 7.327 -1.411 -7.554 33 HG1 THR 6 1HG THR 6 8.994 -2.782 -6.954 34 1HG2 THR 6 1HG2 THR 6 9.127 0.428 -5.913 35 2HG2 THR 6 2HG2 THR 6 8.794 0.495 -7.660 36 3HG2 THR 6 3HG2 THR 6 7.532 0.964 -6.495 37 H VAL 7 H VAL 7 5.062 -2.789 -6.467 38 HA VAL 7 HA VAL 7 5.700 -5.196 -4.929 39 HB VAL 7 HB VAL 7 3.227 -4.136 -6.275 40 1HG1 VAL 7 1HG1 VAL 7 3.245 -6.416 -6.979 41 2HG1 VAL 7 2HG1 VAL 7 3.768 -6.978 -5.373 42 3HG1 VAL 7 3HG1 VAL 7 2.132 -6.314 -5.594 43 1HG2 VAL 7 1HG2 VAL 7 3.399 -3.337 -4.069 44 2HG2 VAL 7 2HG2 VAL 7 2.302 -4.735 -3.950 45 3HG2 VAL 7 3HG2 VAL 7 4.005 -4.894 -3.455 46 H THR 8 H THR 8 6.669 -6.897 -5.910 47 HA THR 8 HA THR 8 7.871 -6.941 -8.257 48 HB THR 8 HB THR 8 6.508 -9.034 -6.574 49 HG1 THR 8 1HG THR 8 8.826 -9.660 -6.628 50 1HG2 THR 8 1HG2 THR 8 6.203 -9.731 -9.056 51 2HG2 THR 8 2HG2 THR 8 7.981 -9.734 -9.158 52 3HG2 THR 8 3HG2 THR 8 7.151 -10.844 -8.041 53 HA PRO 9 HA PRO 9 4.211 -8.212 -10.846 54 1HB PRO 9 1HB PRO 9 1.830 -8.949 -9.728 55 2HB PRO 9 2HB PRO 9 3.092 -10.102 -10.156 56 1HG PRO 9 1HG PRO 9 2.308 -9.041 -7.516 57 2HG PRO 9 2HG PRO 9 3.237 -10.536 -7.895 58 1HD PRO 9 1HD PRO 9 4.215 -8.041 -6.884 59 2HD PRO 9 2HD PRO 9 5.187 -9.428 -7.390 60 H SER 10 H SER 10 1.636 -7.342 -8.695 61 HA SER 10 HA SER 10 0.759 -5.328 -8.298 62 1HB SER 10 1HB SER 10 1.580 -3.315 -9.115 63 2HB SER 10 2HB SER 10 3.028 -4.333 -9.209 64 HG SER 10 HG SER 10 1.862 -2.960 -11.186 65 H SER 11 H SER 11 0.197 -7.581 -10.335 66 HA SER 11 HA SER 11 -2.111 -6.328 -11.420 67 1HB SER 11 1HB SER 11 -1.665 -6.923 -13.770 68 2HB SER 11 2HB SER 11 -0.462 -5.765 -13.174 69 HG SER 11 HG SER 11 -0.163 -8.617 -13.555 70 H GLY 12 H GLY 12 -3.759 -7.882 -11.835 71 1HA GLY 12 1HA GLY 12 -4.814 -9.856 -11.656 72 2HA GLY 12 2HA GLY 12 -3.371 -10.590 -12.325 73 H LEU 13 H LEU 13 -3.748 -8.778 -9.213 74 HA LEU 13 HA LEU 13 -2.446 -10.955 -7.847 75 1HB LEU 13 1HB LEU 13 -3.520 -8.346 -6.787 76 2HB LEU 13 2HB LEU 13 -2.427 -9.462 -5.950 77 HG LEU 13 HG LEU 13 -1.885 -7.517 -8.157 78 1HD1 LEU 13 1HD1 LEU 13 -1.432 -7.152 -5.663 79 2HD1 LEU 13 2HD1 LEU 13 -0.098 -8.313 -5.862 80 3HD1 LEU 13 3HD1 LEU 13 -0.112 -6.803 -6.805 81 1HD2 LEU 13 1HD2 LEU 13 -1.194 -9.645 -9.136 82 2HD2 LEU 13 2HD2 LEU 13 0.216 -8.635 -8.734 83 3HD2 LEU 13 3HD2 LEU 13 -0.222 -10.008 -7.689 84 H SER 14 H SER 14 -4.045 -10.208 -5.324 85 HA SER 14 HA SER 14 -6.678 -11.034 -5.861 86 1HB SER 14 1HB SER 14 -5.101 -13.167 -5.995 87 2HB SER 14 2HB SER 14 -5.194 -13.088 -4.227 88 HG SER 14 HG SER 14 -7.700 -12.775 -5.157 89 H ASP 15 H ASP 15 -7.862 -11.467 -3.656 90 HA ASP 15 HA ASP 15 -7.283 -9.342 -1.992 91 1HB ASP 15 1HB ASP 15 -8.989 -10.330 -0.493 92 2HB ASP 15 2HB ASP 15 -9.525 -10.357 -2.180 93 HD2 ASP 15 HD2 ASP 15 -8.917 -13.939 -2.151 94 H GLY 16 H GLY 16 -5.202 -9.389 -1.008 95 1HA GLY 16 1HA GLY 16 -4.015 -9.934 0.928 96 2HA GLY 16 2HA GLY 16 -4.783 -11.509 0.975 97 H THR 17 H THR 17 -3.346 -9.982 -1.950 98 HA THR 17 HA THR 17 -1.796 -12.324 -2.455 99 HB THR 17 HB THR 17 -2.675 -11.158 -4.355 100 HG1 THR 17 1HG THR 17 -0.377 -11.712 -4.528 101 1HG2 THR 17 1HG2 THR 17 -3.164 -8.930 -4.140 102 2HG2 THR 17 2HG2 THR 17 -2.084 -8.772 -2.735 103 3HG2 THR 17 3HG2 THR 17 -1.427 -8.621 -4.382 104 H VAL 18 H VAL 18 -0.416 -12.662 -0.684 105 HA VAL 18 HA VAL 18 1.368 -10.551 0.090 106 HB VAL 18 HB VAL 18 1.463 -13.474 0.833 107 1HG1 VAL 18 1HG1 VAL 18 2.987 -12.905 2.383 108 2HG1 VAL 18 2HG1 VAL 18 3.185 -11.407 1.442 109 3HG1 VAL 18 3HG1 VAL 18 2.098 -11.436 2.851 110 1HG2 VAL 18 1HG2 VAL 18 -0.651 -13.161 1.577 111 2HG2 VAL 18 2HG2 VAL 18 0.159 -12.317 2.918 112 3HG2 VAL 18 3HG2 VAL 18 -0.513 -11.387 1.556 113 H VAL 19 H VAL 19 2.487 -10.020 -1.860 114 HA VAL 19 HA VAL 19 4.195 -12.178 -2.875 115 HB VAL 19 HB VAL 19 4.369 -10.871 -4.899 116 1HG1 VAL 19 1HG1 VAL 19 1.655 -11.553 -3.825 117 2HG1 VAL 19 2HG1 VAL 19 1.773 -10.729 -5.398 118 3HG1 VAL 19 3HG1 VAL 19 2.580 -12.296 -5.152 119 1HG2 VAL 19 1HG2 VAL 19 2.642 -8.831 -3.459 120 2HG2 VAL 19 2HG2 VAL 19 4.317 -8.620 -4.024 121 3HG2 VAL 19 3HG2 VAL 19 2.997 -8.807 -5.204 122 H LYS 20 H LYS 20 6.303 -10.918 -3.951 123 HA LYS 20 HA LYS 20 7.610 -9.860 -1.603 124 1HB LYS 20 1HB LYS 20 8.447 -10.983 -4.236 125 2HB LYS 20 2HB LYS 20 9.569 -9.898 -3.396 126 1HG LYS 20 1HG LYS 20 9.535 -11.318 -1.419 127 2HG LYS 20 2HG LYS 20 8.254 -12.332 -2.104 128 1HD LYS 20 1HD LYS 20 9.740 -13.159 -3.824 129 2HD LYS 20 2HD LYS 20 10.994 -11.980 -3.397 130 1HE LYS 20 1HE LYS 20 11.449 -13.083 -1.321 131 2HE LYS 20 2HE LYS 20 9.972 -14.053 -1.413 132 1HZ LYS 20 1HZ LYS 20 12.342 -14.272 -3.132 133 2HZ LYS 20 2HZ LYS 20 11.809 -15.371 -2.048 134 3HZ LYS 20 3HZ LYS 20 10.950 -15.080 -3.407 135 H VAL 21 H VAL 21 8.218 -7.753 -1.267 136 HA VAL 21 HA VAL 21 7.749 -5.906 -3.497 137 HB VAL 21 HB VAL 21 6.983 -5.461 -0.605 138 1HG1 VAL 21 1HG1 VAL 21 5.976 -3.729 -2.811 139 2HG1 VAL 21 2HG1 VAL 21 6.393 -3.323 -1.129 140 3HG1 VAL 21 3HG1 VAL 21 7.681 -3.535 -2.339 141 1HG2 VAL 21 1HG2 VAL 21 5.353 -6.264 -3.020 142 2HG2 VAL 21 2HG2 VAL 21 5.400 -7.008 -1.403 143 3HG2 VAL 21 3HG2 VAL 21 4.623 -5.424 -1.631 144 H ALA 22 H ALA 22 9.340 -4.368 -3.794 145 HA ALA 22 HA ALA 22 11.363 -4.159 -1.685 146 1HB ALA 22 1HB ALA 22 11.842 -4.697 -4.643 147 2HB ALA 22 2HB ALA 22 13.111 -4.236 -3.483 148 3HB ALA 22 3HB ALA 22 12.236 -5.773 -3.281 149 H GLY 23 H GLY 23 12.620 -2.137 -1.818 150 1HA GLY 23 1HA GLY 23 12.978 -0.015 -2.799 151 2HA GLY 23 2HA GLY 23 11.384 -0.077 -3.523 152 H ALA 24 H ALA 24 11.856 2.221 -2.235 153 HA ALA 24 HA ALA 24 9.897 2.757 -0.603 154 1HB ALA 24 1HB ALA 24 10.139 1.148 1.043 155 2HB ALA 24 2HB ALA 24 11.915 1.132 0.918 156 3HB ALA 24 3HB ALA 24 11.094 2.470 1.758 157 H GLY 25 H GLY 25 11.202 4.152 1.623 158 1HA GLY 25 1HA GLY 25 12.008 6.487 0.301 159 2HA GLY 25 2HA GLY 25 12.194 6.130 2.008 160 H LEU 26 H LEU 26 13.673 3.549 0.524 161 HA LEU 26 HA LEU 26 15.798 2.936 0.394 162 1HB LEU 26 1HB LEU 26 15.625 3.852 -1.761 163 2HB LEU 26 2HB LEU 26 15.835 5.510 -1.170 164 HG LEU 26 HG LEU 26 18.165 4.250 -0.370 165 1HD1 LEU 26 1HD1 LEU 26 17.422 3.214 -3.120 166 2HD1 LEU 26 2HD1 LEU 26 19.029 3.098 -2.363 167 3HD1 LEU 26 3HD1 LEU 26 17.642 2.245 -1.643 168 1HD2 LEU 26 1HD2 LEU 26 17.332 6.221 -2.384 169 2HD2 LEU 26 2HD2 LEU 26 18.657 6.272 -1.196 170 3HD2 LEU 26 3HD2 LEU 26 18.879 5.417 -2.742 171 H GLN 27 H GLN 27 15.485 3.521 2.895 172 HA GLN 27 HA GLN 27 17.169 5.708 3.662 173 1HB GLN 27 1HB GLN 27 15.362 3.761 5.061 174 2HB GLN 27 2HB GLN 27 16.612 4.572 6.021 175 1HG GLN 27 1HG GLN 27 14.945 6.251 4.174 176 2HG GLN 27 2HG GLN 27 14.165 5.641 5.640 177 1HE2 GLN 27 1HE2 GLN 27 15.586 8.231 4.405 178 2HE2 GLN 27 2HE2 GLN 27 16.358 8.934 5.787 179 H ALA 28 H ALA 28 17.236 2.707 5.540 180 HA ALA 28 HA ALA 28 19.422 1.438 4.474 181 1HB ALA 28 1HB ALA 28 21.218 2.695 4.956 182 2HB ALA 28 2HB ALA 28 20.151 3.963 5.603 183 3HB ALA 28 3HB ALA 28 20.774 2.690 6.679 184 H GLY 29 H GLY 29 18.345 -0.396 5.210 185 1HA GLY 29 1HA GLY 29 17.595 -1.940 6.664 186 2HA GLY 29 2HA GLY 29 18.897 -1.402 7.706 187 H THR 30 H THR 30 16.475 0.981 6.771 188 HA THR 30 HA THR 30 15.631 1.159 9.538 189 HB THR 30 HB THR 30 15.163 2.821 7.012 190 HG1 THR 30 1HG THR 30 16.743 4.093 8.099 191 1HG2 THR 30 1HG2 THR 30 14.456 3.509 9.910 192 2HG2 THR 30 2HG2 THR 30 14.187 4.526 8.473 193 3HG2 THR 30 3HG2 THR 30 13.247 3.030 8.695 194 H ALA 31 H ALA 31 13.270 1.474 10.045 195 HA ALA 31 HA ALA 31 11.867 -0.784 8.932 196 1HB ALA 31 1HB ALA 31 10.475 1.005 10.834 197 2HB ALA 31 2HB ALA 31 10.751 -0.753 10.908 198 3HB ALA 31 3HB ALA 31 12.031 0.373 11.424 199 H TYR 32 H TYR 32 9.857 -0.697 7.815 200 HA TYR 32 HA TYR 32 8.954 1.955 6.998 201 1HB TYR 32 1HB TYR 32 10.037 -0.376 5.351 202 2HB TYR 32 2HB TYR 32 8.817 0.678 4.628 203 HD1 TYR 32 1HD TYR 32 9.775 3.294 5.884 204 HD2 TYR 32 2HD TYR 32 11.879 0.116 3.941 205 HE1 TYR 32 1HE TYR 32 11.607 4.917 5.198 206 HE2 TYR 32 2HE TYR 32 13.704 1.750 3.261 207 HH TYR 32 HH TYR 32 13.635 4.461 2.863 208 H ASP 33 H ASP 33 7.229 1.302 8.561 209 HA ASP 33 HA ASP 33 5.742 -0.887 8.519 210 1HB ASP 33 1HB ASP 33 5.447 1.788 9.398 211 2HB ASP 33 2HB ASP 33 3.960 1.435 8.504 212 HD2 ASP 33 HD2 ASP 33 4.490 -0.098 12.078 213 H VAL 34 H VAL 34 4.663 -1.987 6.877 214 HA VAL 34 HA VAL 34 4.385 -0.950 4.310 215 HB VAL 34 HB VAL 34 3.093 -3.268 5.748 216 1HG1 VAL 34 1HG1 VAL 34 3.060 -2.716 2.763 217 2HG1 VAL 34 2HG1 VAL 34 2.364 -4.125 3.600 218 3HG1 VAL 34 3HG1 VAL 34 1.670 -2.507 3.856 219 1HG2 VAL 34 1HG2 VAL 34 4.733 -4.628 4.669 220 2HG2 VAL 34 2HG2 VAL 34 5.269 -3.279 3.638 221 3HG2 VAL 34 3HG2 VAL 34 5.595 -3.247 5.388 222 H GLY 35 H GLY 35 2.703 0.048 3.200 223 1HA GLY 35 1HA GLY 35 0.278 0.655 4.772 224 2HA GLY 35 2HA GLY 35 1.174 1.926 3.963 225 H GLN 36 H GLN 36 -1.632 0.917 3.516 226 HA GLN 36 HA GLN 36 -1.315 0.544 0.664 227 1HB GLN 36 1HB GLN 36 -2.353 -1.457 2.533 228 2HB GLN 36 2HB GLN 36 -3.535 -1.060 1.273 229 1HG GLN 36 1HG GLN 36 -1.287 -1.267 -0.243 230 2HG GLN 36 2HG GLN 36 -0.862 -2.392 1.055 231 1HE2 GLN 36 1HE2 GLN 36 -3.341 -1.528 -1.310 232 2HE2 GLN 36 2HE2 GLN 36 -4.003 -3.112 -1.542 233 H CYS 37 H CYS 37 -2.533 2.057 -0.383 234 HA CYS 37 HA CYS 37 -4.949 2.969 0.997 235 1HB CYS 37 1HB CYS 37 -3.155 4.754 -0.628 236 2HB CYS 37 2HB CYS 37 -4.546 5.225 0.364 237 H ALA 38 H ALA 38 -6.233 4.393 -0.864 238 HA ALA 38 HA ALA 38 -5.938 3.155 -3.466 239 1HB ALA 38 1HB ALA 38 -8.726 3.007 -2.707 240 2HB ALA 38 2HB ALA 38 -7.647 1.709 -3.273 241 3HB ALA 38 3HB ALA 38 -7.737 2.099 -1.538 242 H TRP 39 H TRP 39 -6.572 4.551 -5.096 243 HA TRP 39 HA TRP 39 -7.306 7.207 -4.220 244 1HB TRP 39 1HB TRP 39 -5.510 6.870 -5.840 245 2HB TRP 39 2HB TRP 39 -6.647 6.124 -6.965 246 HD1 TRP 39 HD TRP 39 -6.928 9.497 -4.988 247 HE1 TRP 39 1HE TRP 39 -7.498 11.480 -6.634 248 HE3 TRP 39 3HE TRP 39 -6.856 6.693 -9.230 249 HZ2 TRP 39 2HZ TRP 39 -7.846 11.650 -9.461 250 HZ3 TRP 39 3HZ TRP 39 -7.321 7.846 -11.391 251 HH2 TRP 39 HH TRP 39 -7.804 10.236 -11.549 252 H VAL 40 H VAL 40 -9.377 8.006 -4.293 253 HA VAL 40 HA VAL 40 -11.379 6.278 -5.555 254 HB VAL 40 HB VAL 40 -11.795 8.480 -3.532 255 1HG1 VAL 40 1HG1 VAL 40 -13.583 6.972 -5.112 256 2HG1 VAL 40 2HG1 VAL 40 -13.698 6.307 -3.465 257 3HG1 VAL 40 3HG1 VAL 40 -13.972 8.043 -3.745 258 1HG2 VAL 40 1HG2 VAL 40 -10.773 5.737 -3.174 259 2HG2 VAL 40 2HG2 VAL 40 -10.688 7.147 -2.091 260 3HG2 VAL 40 3HG2 VAL 40 -12.161 6.149 -2.139 261 H ASP 41 H ASP 41 -12.791 9.225 -4.928 262 HA ASP 41 HA ASP 41 -13.224 9.809 -7.551 263 1HB ASP 41 1HB ASP 41 -14.139 10.749 -5.168 264 2HB ASP 41 2HB ASP 41 -13.117 12.116 -5.638 265 HD2 ASP 41 HD2 ASP 41 -15.336 13.103 -8.102 266 H THR 42 H THR 42 -12.651 12.683 -7.727 267 HA THR 42 HA THR 42 -10.004 12.574 -8.735 268 HB THR 42 HB THR 42 -11.898 14.926 -8.207 269 HG1 THR 42 1HG THR 42 -12.796 14.198 -10.132 270 1HG2 THR 42 1HG2 THR 42 -10.692 15.958 -10.131 271 2HG2 THR 42 2HG2 THR 42 -9.566 15.648 -8.787 272 3HG2 THR 42 3HG2 THR 42 -9.594 14.558 -10.194 273 H GLY 43 H GLY 43 -11.471 14.215 -5.859 274 1HA GLY 43 1HA GLY 43 -8.718 14.501 -4.812 275 2HA GLY 43 2HA GLY 43 -10.026 15.626 -4.503 276 H VAL 44 H VAL 44 -10.296 12.032 -4.581 277 HA VAL 44 HA VAL 44 -10.674 12.088 -1.674 278 HB VAL 44 HB VAL 44 -12.396 10.520 -3.596 279 1HG1 VAL 44 1HG1 VAL 44 -12.915 11.233 -0.696 280 2HG1 VAL 44 2HG1 VAL 44 -13.780 10.055 -1.712 281 3HG1 VAL 44 3HG1 VAL 44 -12.105 9.731 -1.204 282 1HG2 VAL 44 1HG2 VAL 44 -12.635 13.029 -3.860 283 2HG2 VAL 44 2HG2 VAL 44 -14.117 12.157 -3.400 284 3HG2 VAL 44 3HG2 VAL 44 -13.206 13.071 -2.175 285 H LEU 45 H LEU 45 -9.246 10.740 -0.721 286 HA LEU 45 HA LEU 45 -8.555 8.293 -2.169 287 1HB LEU 45 1HB LEU 45 -6.863 10.164 -2.457 288 2HB LEU 45 2HB LEU 45 -6.488 9.948 -0.738 289 HG LEU 45 HG LEU 45 -6.439 7.476 -2.353 290 1HD1 LEU 45 1HD1 LEU 45 -4.840 9.854 -3.135 291 2HD1 LEU 45 2HD1 LEU 45 -3.979 8.299 -3.038 292 3HD1 LEU 45 3HD1 LEU 45 -5.396 8.467 -4.101 293 1HD2 LEU 45 1HD2 LEU 45 -4.689 8.755 -0.250 294 2HD2 LEU 45 2HD2 LEU 45 -5.721 7.311 -0.114 295 3HD2 LEU 45 3HD2 LEU 45 -4.238 7.257 -1.099 296 H ALA 46 H ALA 46 -8.916 6.535 -0.927 297 HA ALA 46 HA ALA 46 -9.156 7.004 1.960 298 1HB ALA 46 1HB ALA 46 -11.041 5.795 1.812 299 2HB ALA 46 2HB ALA 46 -10.829 5.737 0.046 300 3HB ALA 46 3HB ALA 46 -10.155 4.444 1.067 301 H CYS 47 H CYS 47 -7.393 6.424 3.120 302 HA CYS 47 HA CYS 47 -5.537 4.556 1.949 303 1HB CYS 47 1HB CYS 47 -5.503 6.564 4.097 304 2HB CYS 47 2HB CYS 47 -4.503 5.130 4.391 305 H ASN 48 H ASN 48 -4.649 2.771 3.490 306 HA ASN 48 HA ASN 48 -6.935 1.643 4.906 307 1HB ASN 48 1HB ASN 48 -5.881 0.483 2.788 308 2HB ASN 48 2HB ASN 48 -4.575 0.013 3.886 309 1HD2 ASN 48 1HD2 ASN 48 -5.485 -2.107 3.081 310 2HD2 ASN 48 2HD2 ASN 48 -6.713 -2.865 4.039 311 HA PRO 49 HA PRO 49 -3.691 2.363 7.998 312 1HB PRO 49 1HB PRO 49 -5.332 3.232 10.002 313 2HB PRO 49 2HB PRO 49 -4.547 4.320 8.859 314 1HG PRO 49 1HG PRO 49 -7.346 3.395 8.979 315 2HG PRO 49 2HG PRO 49 -6.675 4.840 8.139 316 1HD PRO 49 1HD PRO 49 -7.528 2.353 7.000 317 2HD PRO 49 2HD PRO 49 -6.726 3.683 6.152 318 H ALA 50 H ALA 50 -4.600 -0.146 7.239 319 HA ALA 50 HA ALA 50 -4.739 -1.343 9.911 320 1HB ALA 50 1HB ALA 50 -6.191 -2.748 7.735 321 2HB ALA 50 2HB ALA 50 -6.630 -2.521 9.445 322 3HB ALA 50 3HB ALA 50 -6.922 -1.216 8.270 323 H ASP 51 H ASP 51 -2.980 -0.829 7.163 324 HA ASP 51 HA ASP 51 -2.257 -3.199 6.149 325 1HB ASP 51 1HB ASP 51 0.171 -2.043 6.210 326 2HB ASP 51 2HB ASP 51 -1.113 -1.465 5.137 327 HD2 ASP 51 HD2 ASP 51 0.098 0.821 8.138 328 H PHE 52 H PHE 52 -0.669 -1.497 8.965 329 HA PHE 52 HA PHE 52 0.327 -2.262 10.781 330 1HB PHE 52 1HB PHE 52 -1.609 -4.249 10.053 331 2HB PHE 52 2HB PHE 52 -0.136 -5.152 10.427 332 HD1 PHE 52 1HD PHE 52 -0.280 -6.057 12.536 333 HD2 PHE 52 2HD PHE 52 -1.753 -2.126 11.916 334 HE1 PHE 52 1HE PHE 52 -0.806 -5.869 14.983 335 HE2 PHE 52 2HE PHE 52 -2.280 -1.937 14.362 336 HZ PHE 52 HZ PHE 52 -1.800 -3.811 15.867 337 H SER 53 H SER 53 0.640 -4.670 8.080 338 HA SER 53 HA SER 53 2.884 -5.887 8.618 339 1HB SER 53 1HB SER 53 1.720 -4.796 6.114 340 2HB SER 53 2HB SER 53 3.428 -5.257 6.001 341 HG SER 53 HG SER 53 1.114 -6.850 6.374 342 H SER 54 H SER 54 5.223 -5.552 8.168 343 HA SER 54 HA SER 54 5.970 -2.766 7.928 344 1HB SER 54 1HB SER 54 7.734 -3.290 9.791 345 2HB SER 54 2HB SER 54 6.080 -2.871 10.268 346 HG SER 54 HG SER 54 6.517 -4.691 11.449 347 H VAL 55 H VAL 55 7.753 -2.519 6.589 348 HA VAL 55 HA VAL 55 9.172 -4.997 5.895 349 HB VAL 55 HB VAL 55 7.671 -3.678 4.214 350 1HG1 VAL 55 1HG1 VAL 55 9.000 -1.997 2.917 351 2HG1 VAL 55 2HG1 VAL 55 8.556 -1.463 4.556 352 3HG1 VAL 55 3HG1 VAL 55 10.213 -2.019 4.221 353 1HG2 VAL 55 1HG2 VAL 55 10.177 -4.105 2.805 354 2HG2 VAL 55 2HG2 VAL 55 9.863 -5.407 3.978 355 3HG2 VAL 55 3HG2 VAL 55 8.655 -5.025 2.727 356 H THR 56 H THR 56 11.494 -4.799 5.458 357 HA THR 56 HA THR 56 12.658 -2.528 6.932 358 HB THR 56 HB THR 56 13.279 -5.502 6.820 359 HG1 THR 56 1HG THR 56 13.319 -4.946 9.158 360 1HG2 THR 56 1HG2 THR 56 15.290 -4.609 8.361 361 2HG2 THR 56 2HG2 THR 56 15.515 -4.801 6.606 362 3HG2 THR 56 3HG2 THR 56 15.178 -3.192 7.288 363 H ALA 57 H ALA 57 14.595 -1.582 6.153 364 HA ALA 57 HA ALA 57 14.731 -1.686 3.273 365 1HB ALA 57 1HB ALA 57 16.726 0.021 4.268 366 2HB ALA 57 2HB ALA 57 15.105 0.491 3.703 367 3HB ALA 57 3HB ALA 57 15.385 0.166 5.430 368 H ASP 58 H ASP 58 17.011 -1.707 2.247 369 HA ASP 58 HA ASP 58 18.618 -3.677 3.676 370 1HB ASP 58 1HB ASP 58 19.269 -4.415 1.266 371 2HB ASP 58 2HB ASP 58 17.698 -4.930 1.896 372 HD2 ASP 58 HD2 ASP 58 16.568 -3.790 -1.154 373 H ALA 59 H ALA 59 20.684 -2.858 4.054 374 HA ALA 59 HA ALA 59 22.231 -1.196 4.070 375 1HB ALA 59 1HB ALA 59 23.287 -1.481 1.514 376 2HB ALA 59 2HB ALA 59 23.648 -2.520 2.913 377 3HB ALA 59 3HB ALA 59 22.385 -2.997 1.753 378 H ASN 60 H ASN 60 21.701 -0.862 0.553 379 HA ASN 60 HA ASN 60 21.956 1.716 0.312 380 1HB ASN 60 1HB ASN 60 20.460 -0.341 -1.111 381 2HB ASN 60 2HB ASN 60 19.611 1.206 -1.244 382 1HD2 ASN 60 1HD2 ASN 60 21.145 -0.470 -3.173 383 2HD2 ASN 60 2HD2 ASN 60 22.335 0.570 -3.883 384 H GLY 61 H GLY 61 18.910 0.039 1.346 385 1HA GLY 61 1HA GLY 61 17.772 1.234 3.215 386 2HA GLY 61 2HA GLY 61 17.823 2.657 2.194 387 H SER 62 H SER 62 17.507 0.001 0.130 388 HA SER 62 HA SER 62 14.787 0.667 -0.347 389 1HB SER 62 1HB SER 62 16.752 -1.273 -1.596 390 2HB SER 62 2HB SER 62 15.060 -1.208 -2.119 391 HG SER 62 HG SER 62 15.512 0.546 -3.253 392 H ALA 63 H ALA 63 12.949 -0.514 0.216 393 HA ALA 63 HA ALA 63 13.195 -2.413 2.281 394 1HB ALA 63 1HB ALA 63 10.872 -2.290 2.362 395 2HB ALA 63 2HB ALA 63 11.272 -0.738 1.587 396 3HB ALA 63 3HB ALA 63 10.714 -2.110 0.598 397 H SER 64 H SER 64 12.170 -4.661 2.155 398 HA SER 64 HA SER 64 11.954 -5.913 -0.320 399 1HB SER 64 1HB SER 64 13.974 -7.436 -0.071 400 2HB SER 64 2HB SER 64 14.342 -5.769 -0.548 401 HG SER 64 HG SER 64 15.654 -6.843 1.249 402 H THR 65 H THR 65 10.248 -7.187 0.325 403 HA THR 65 HA THR 65 10.575 -9.389 1.954 404 HB THR 65 HB THR 65 10.623 -7.138 3.558 405 HG1 THR 65 1HG THR 65 11.039 -9.351 4.198 406 1HG2 THR 65 1HG2 THR 65 8.519 -6.789 4.589 407 2HG2 THR 65 2HG2 THR 65 8.063 -6.910 2.873 408 3HG2 THR 65 3HG2 THR 65 7.851 -8.311 3.951 409 H SER 66 H SER 66 8.150 -10.021 2.881 410 HA SER 66 HA SER 66 6.618 -9.900 0.442 411 1HB SER 66 1HB SER 66 5.209 -11.652 1.652 412 2HB SER 66 2HB SER 66 6.881 -12.118 1.298 413 HG SER 66 HG SER 66 6.262 -12.670 3.477 414 H LEU 67 H LEU 67 4.741 -8.700 0.224 415 HA LEU 67 HA LEU 67 3.613 -7.597 2.702 416 1HB LEU 67 1HB LEU 67 4.519 -6.275 0.222 417 2HB LEU 67 2HB LEU 67 2.983 -5.707 0.899 418 HG LEU 67 HG LEU 67 4.001 -4.939 2.863 419 1HD1 LEU 67 1HD1 LEU 67 6.533 -5.436 3.236 420 2HD1 LEU 67 2HD1 LEU 67 5.313 -6.653 3.682 421 3HD1 LEU 67 3HD1 LEU 67 6.229 -6.825 2.166 422 1HD2 LEU 67 1HD2 LEU 67 6.207 -3.785 1.901 423 2HD2 LEU 67 2HD2 LEU 67 5.507 -4.346 0.363 424 3HD2 LEU 67 3HD2 LEU 67 4.570 -3.271 1.429 425 H THR 68 H THR 68 1.385 -7.680 2.910 426 HA THR 68 HA THR 68 0.051 -9.363 0.949 427 HB THR 68 HB THR 68 -0.218 -9.984 3.281 428 HG1 THR 68 1HG THR 68 -2.365 -10.147 2.782 429 1HG2 THR 68 1HG2 THR 68 -0.371 -7.055 3.664 430 2HG2 THR 68 2HG2 THR 68 -1.704 -7.916 4.468 431 3HG2 THR 68 3HG2 THR 68 -0.017 -8.326 4.857 432 H VAL 69 H VAL 69 -0.184 -8.044 -0.876 433 HA VAL 69 HA VAL 69 -1.351 -5.454 -0.613 434 HB VAL 69 HB VAL 69 -1.094 -7.145 -3.099 435 1HG1 VAL 69 1HG1 VAL 69 -0.894 -4.138 -2.763 436 2HG1 VAL 69 2HG1 VAL 69 -1.016 -5.065 -4.278 437 3HG1 VAL 69 3HG1 VAL 69 -2.405 -4.989 -3.167 438 1HG2 VAL 69 1HG2 VAL 69 1.034 -5.412 -1.797 439 2HG2 VAL 69 2HG2 VAL 69 1.060 -7.186 -1.936 440 3HG2 VAL 69 3HG2 VAL 69 1.152 -6.177 -3.399 441 H ARG 70 H ARG 70 -3.169 -6.385 0.813 442 HA ARG 70 HA ARG 70 -5.042 -8.088 0.053 443 1HB ARG 70 1HB ARG 70 -6.666 -6.192 1.131 444 2HB ARG 70 2HB ARG 70 -5.568 -7.174 2.114 445 1HG ARG 70 1HG ARG 70 -4.256 -4.817 0.943 446 2HG ARG 70 2HG ARG 70 -5.624 -4.377 1.980 447 1HD ARG 70 1HD ARG 70 -4.491 -4.950 3.861 448 2HD ARG 70 2HD ARG 70 -3.951 -6.488 3.173 449 HE ARG 70 HE ARG 70 -2.030 -5.349 2.228 450 1HH1 ARG 70 1HH1 ARG 70 -4.037 -3.293 4.260 451 2HH1 ARG 70 2HH1 ARG 70 -2.807 -2.093 4.481 452 1HH2 ARG 70 1HH2 ARG 70 -0.407 -3.766 2.519 453 2HH2 ARG 70 2HH2 ARG 70 -0.729 -2.364 3.483 454 H ARG 71 H ARG 71 -7.285 -7.782 -0.908 455 HA ARG 71 HA ARG 71 -7.049 -6.005 -3.186 456 1HB ARG 71 1HB ARG 71 -7.417 -8.376 -3.717 457 2HB ARG 71 2HB ARG 71 -8.858 -8.423 -2.687 458 1HG ARG 71 1HG ARG 71 -10.118 -7.122 -4.181 459 2HG ARG 71 2HG ARG 71 -8.684 -6.428 -4.959 460 1HD ARG 71 1HD ARG 71 -8.587 -8.119 -6.466 461 2HD ARG 71 2HD ARG 71 -8.774 -9.358 -5.217 462 HE ARG 71 HE ARG 71 -11.251 -7.918 -5.795 463 1HH1 ARG 71 1HH1 ARG 71 -9.196 -10.594 -6.793 464 2HH1 ARG 71 2HH1 ARG 71 -10.484 -11.464 -7.559 465 1HH2 ARG 71 1HH2 ARG 71 -12.950 -9.065 -6.803 466 2HH2 ARG 71 2HH2 ARG 71 -12.634 -10.588 -7.563 467 H SER 72 H SER 72 -9.653 -7.336 -1.001 468 HA SER 72 HA SER 72 -10.937 -4.730 -1.230 469 1HB SER 72 1HB SER 72 -13.047 -5.815 -0.853 470 2HB SER 72 2HB SER 72 -12.199 -6.755 -2.095 471 HG SER 72 HG SER 72 -13.298 -7.866 -0.128 472 H PHE 73 H PHE 73 -11.705 -3.695 0.709 473 HA PHE 73 HA PHE 73 -11.672 -4.902 3.217 474 1HB PHE 73 1HB PHE 73 -9.606 -3.804 4.109 475 2HB PHE 73 2HB PHE 73 -9.186 -4.887 2.778 476 HD1 PHE 73 1HD PHE 73 -9.544 -1.376 3.804 477 HD2 PHE 73 2HD PHE 73 -8.306 -4.016 0.721 478 HE1 PHE 73 1HE PHE 73 -8.388 0.524 2.641 479 HE2 PHE 73 2HE PHE 73 -7.150 -2.116 -0.442 480 HZ PHE 73 HZ PHE 73 -7.204 0.131 0.532 481 H GLU 74 H GLU 74 -11.081 -2.746 4.899 482 HA GLU 74 HA GLU 74 -13.095 -0.873 3.973 483 1HB GLU 74 1HB GLU 74 -13.680 -1.839 6.069 484 2HB GLU 74 2HB GLU 74 -12.052 -1.615 6.730 485 1HG GLU 74 1HG GLU 74 -13.079 0.939 5.863 486 2HG GLU 74 2HG GLU 74 -14.296 0.165 6.887 487 HE2 GLU 74 HE2 GLU 74 -12.445 1.365 9.533 488 H GLY 75 H GLY 75 -12.369 1.010 3.090 489 1HA GLY 75 1HA GLY 75 -9.697 1.965 3.880 490 2HA GLY 75 2HA GLY 75 -10.552 2.353 2.400 491 H PHE 76 H PHE 76 -9.409 4.316 4.178 492 HA PHE 76 HA PHE 76 -11.863 5.740 4.843 493 1HB PHE 76 1HB PHE 76 -9.826 4.624 6.644 494 2HB PHE 76 2HB PHE 76 -9.838 6.385 6.784 495 HD1 PHE 76 1HD PHE 76 -11.608 7.497 7.907 496 HD2 PHE 76 2HD PHE 76 -11.898 3.338 7.118 497 HE1 PHE 76 1HE PHE 76 -13.597 7.346 9.431 498 HE2 PHE 76 2HE PHE 76 -13.887 3.187 8.641 499 HZ PHE 76 HZ PHE 76 -14.713 5.192 9.780 500 H LEU 77 H LEU 77 -11.734 7.995 4.546 501 HA LEU 77 HA LEU 77 -9.674 8.848 2.803 502 1HB LEU 77 1HB LEU 77 -12.188 9.862 3.901 503 2HB LEU 77 2HB LEU 77 -10.976 11.120 3.595 504 HG LEU 77 HG LEU 77 -12.714 10.500 1.765 505 1HD1 LEU 77 1HD1 LEU 77 -11.022 10.960 -0.023 506 2HD1 LEU 77 2HD1 LEU 77 -10.981 12.092 1.350 507 3HD1 LEU 77 3HD1 LEU 77 -9.753 10.810 1.218 508 1HD2 LEU 77 1HD2 LEU 77 -12.557 8.577 0.614 509 2HD2 LEU 77 2HD2 LEU 77 -10.780 8.539 0.704 510 3HD2 LEU 77 3HD2 LEU 77 -11.753 7.981 2.086 511 H PHE 78 H PHE 78 -10.487 9.467 6.269 512 HA PHE 78 HA PHE 78 -9.075 9.890 7.949 513 1HB PHE 78 1HB PHE 78 -7.342 8.959 6.063 514 2HB PHE 78 2HB PHE 78 -6.831 10.651 6.049 515 HD1 PHE 78 1HD PHE 78 -4.880 10.931 7.227 516 HD2 PHE 78 2HD PHE 78 -7.786 8.237 8.743 517 HE1 PHE 78 1HE PHE 78 -3.432 10.497 9.230 518 HE2 PHE 78 2HE PHE 78 -6.338 7.802 10.746 519 HZ PHE 78 HZ PHE 78 -4.178 8.937 10.966 520 H ASP 79 H ASP 79 -10.446 11.834 5.825 521 HA ASP 79 HA ASP 79 -9.228 14.210 6.996 522 1HB ASP 79 1HB ASP 79 -8.996 13.713 4.407 523 2HB ASP 79 2HB ASP 79 -10.676 14.265 4.336 524 HD2 ASP 79 HD2 ASP 79 -7.798 16.895 4.537 525 H GLY 80 H GLY 80 -12.151 12.692 5.462 526 1HA GLY 80 1HA GLY 80 -13.927 13.454 7.486 527 2HA GLY 80 2HA GLY 80 -14.013 14.661 6.218 528 H THR 81 H THR 81 -13.274 11.153 5.803 529 HA THR 81 HA THR 81 -15.909 10.465 5.003 530 HB THR 81 HB THR 81 -13.950 11.492 2.978 531 HG1 THR 81 1HG THR 81 -16.824 10.919 3.002 532 1HG2 THR 81 1HG2 THR 81 -15.893 9.230 2.311 533 2HG2 THR 81 2HG2 THR 81 -14.736 10.023 1.215 534 3HG2 THR 81 3HG2 THR 81 -14.146 8.959 2.514 535 H ARG 82 H ARG 82 -15.895 8.200 3.945 536 HA ARG 82 HA ARG 82 -13.526 6.741 4.648 537 1HB ARG 82 1HB ARG 82 -14.680 5.153 6.096 538 2HB ARG 82 2HB ARG 82 -14.957 6.782 6.736 539 1HG ARG 82 1HG ARG 82 -17.097 6.601 5.100 540 2HG ARG 82 2HG ARG 82 -16.873 4.874 5.430 541 1HD ARG 82 1HD ARG 82 -16.826 5.475 7.909 542 2HD ARG 82 2HD ARG 82 -17.318 7.114 7.456 543 HE ARG 82 HE ARG 82 -19.480 6.311 7.057 544 1HH1 ARG 82 1HH1 ARG 82 -17.244 3.595 7.164 545 2HH1 ARG 82 2HH1 ARG 82 -18.494 2.398 7.101 546 1HH2 ARG 82 1HH2 ARG 82 -21.129 4.732 6.974 547 2HH2 ARG 82 2HH2 ARG 82 -20.720 3.049 6.993 548 H TRP 83 H TRP 83 -13.275 4.880 3.335 549 HA TRP 83 HA TRP 83 -14.964 4.728 1.062 550 1HB TRP 83 1HB TRP 83 -12.377 4.001 1.698 551 2HB TRP 83 2HB TRP 83 -13.197 2.451 1.508 552 HD1 TRP 83 HD TRP 83 -11.014 3.801 -0.609 553 HE1 TRP 83 1HE TRP 83 -11.609 3.990 -3.173 554 HE3 TRP 83 3HE TRP 83 -16.051 3.454 -0.003 555 HZ2 TRP 83 2HZ TRP 83 -14.065 3.974 -4.627 556 HZ3 TRP 83 3HZ TRP 83 -17.476 3.549 -2.046 557 HH2 TRP 83 HH TRP 83 -16.559 3.799 -4.299 558 H GLY 84 H GLY 84 -13.992 1.958 3.181 559 1HA GLY 84 1HA GLY 84 -15.852 1.047 4.601 560 2HA GLY 84 2HA GLY 84 -16.814 1.079 3.138 561 H THR 85 H THR 85 -16.434 -1.336 4.498 562 HA THR 85 HA THR 85 -14.208 -2.792 3.516 563 HB THR 85 HB THR 85 -16.803 -3.337 4.973 564 HG1 THR 85 1HG THR 85 -15.167 -3.223 6.457 565 1HG2 THR 85 1HG2 THR 85 -16.886 -5.395 3.865 566 2HG2 THR 85 2HG2 THR 85 -15.168 -5.328 3.406 567 3HG2 THR 85 3HG2 THR 85 -15.629 -5.779 5.065 568 H VAL 86 H VAL 86 -14.461 -1.863 1.233 569 HA VAL 86 HA VAL 86 -16.085 -3.791 -0.269 570 HB VAL 86 HB VAL 86 -17.064 -1.463 -0.143 571 1HG1 VAL 86 1HG1 VAL 86 -14.927 -0.671 -2.122 572 2HG1 VAL 86 2HG1 VAL 86 -16.074 0.357 -1.229 573 3HG1 VAL 86 3HG1 VAL 86 -14.710 -0.404 -0.375 574 1HG2 VAL 86 1HG2 VAL 86 -16.460 -1.953 -3.016 575 2HG2 VAL 86 2HG2 VAL 86 -17.160 -3.310 -2.102 576 3HG2 VAL 86 3HG2 VAL 86 -18.022 -1.755 -2.186 577 H ASP 87 H ASP 87 -15.254 -3.800 -2.684 578 HA ASP 87 HA ASP 87 -12.691 -4.737 -2.614 579 1HB ASP 87 1HB ASP 87 -14.632 -3.897 -4.725 580 2HB ASP 87 2HB ASP 87 -12.947 -4.043 -5.246 581 HD2 ASP 87 HD2 ASP 87 -14.140 -7.274 -5.871 582 H CYS 88 H CYS 88 -10.643 -3.804 -3.335 583 HA CYS 88 HA CYS 88 -10.666 -0.885 -3.278 584 1HB CYS 88 1HB CYS 88 -9.257 -2.556 -1.744 585 2HB CYS 88 2HB CYS 88 -8.112 -2.385 -3.088 586 H THR 89 H THR 89 -9.890 -3.805 -5.156 587 HA THR 89 HA THR 89 -8.161 -2.821 -7.047 588 HB THR 89 HB THR 89 -9.470 -5.179 -6.557 589 HG1 THR 89 1HG THR 89 -8.296 -4.040 -8.991 590 1HG2 THR 89 1HG2 THR 89 -11.049 -5.710 -8.209 591 2HG2 THR 89 2HG2 THR 89 -11.469 -4.003 -7.934 592 3HG2 THR 89 3HG2 THR 89 -10.451 -4.456 -9.321 593 H THR 90 H THR 90 -11.650 -2.212 -6.682 594 HA THR 90 HA THR 90 -11.970 -1.084 -9.267 595 HB THR 90 HB THR 90 -13.512 -1.351 -6.696 596 HG1 THR 90 1HG THR 90 -14.111 -2.844 -8.241 597 1HG2 THR 90 1HG2 THR 90 -14.161 0.642 -8.930 598 2HG2 THR 90 2HG2 THR 90 -15.365 0.027 -7.772 599 3HG2 THR 90 3HG2 THR 90 -13.995 1.007 -7.195 600 H ALA 91 H ALA 91 -10.575 0.063 -6.267 601 HA ALA 91 HA ALA 91 -10.650 2.797 -7.332 602 1HB ALA 91 1HB ALA 91 -10.829 3.530 -5.186 603 2HB ALA 91 2HB ALA 91 -11.389 1.872 -4.861 604 3HB ALA 91 3HB ALA 91 -9.689 2.310 -4.569 605 H ALA 92 H ALA 92 -8.903 0.464 -8.205 606 HA ALA 92 HA ALA 92 -6.732 -0.080 -8.412 607 1HB ALA 92 1HB ALA 92 -5.934 1.370 -9.952 608 2HB ALA 92 2HB ALA 92 -7.413 2.311 -9.641 609 3HB ALA 92 3HB ALA 92 -5.903 2.720 -8.792 610 H CYS 93 H CYS 93 -7.005 -0.371 -5.835 611 HA CYS 93 HA CYS 93 -5.898 1.387 -4.079 612 1HB CYS 93 1HB CYS 93 -6.834 -1.200 -4.010 613 2HB CYS 93 2HB CYS 93 -5.145 -1.372 -3.499 614 H GLN 94 H GLN 94 -3.646 0.587 -2.837 615 HA GLN 94 HA GLN 94 -1.635 -0.226 -4.650 616 1HB GLN 94 1HB GLN 94 -0.285 1.920 -4.377 617 2HB GLN 94 2HB GLN 94 -1.675 2.021 -5.474 618 1HG GLN 94 1HG GLN 94 -2.336 2.638 -2.664 619 2HG GLN 94 2HG GLN 94 -1.138 3.745 -3.349 620 1HE2 GLN 94 1HE2 GLN 94 -2.320 5.524 -3.632 621 2HE2 GLN 94 2HE2 GLN 94 -3.721 5.661 -4.642 622 H VAL 95 H VAL 95 0.502 -0.447 -3.537 623 HA VAL 95 HA VAL 95 0.266 -0.235 -0.624 624 HB VAL 95 HB VAL 95 -0.266 -2.536 -1.419 625 1HG1 VAL 95 1HG1 VAL 95 1.025 -3.691 -2.843 626 2HG1 VAL 95 2HG1 VAL 95 1.838 -2.144 -3.183 627 3HG1 VAL 95 3HG1 VAL 95 2.517 -3.259 -1.973 628 1HG2 VAL 95 1HG2 VAL 95 2.319 -2.827 0.034 629 2HG2 VAL 95 2HG2 VAL 95 1.090 -1.770 0.770 630 3HG2 VAL 95 3HG2 VAL 95 0.704 -3.471 0.417 631 H GLY 96 H GLY 96 1.807 1.184 -0.002 632 1HA GLY 96 1HA GLY 96 4.436 0.994 -1.342 633 2HA GLY 96 2HA GLY 96 3.668 2.531 -0.997 634 H LEU 97 H LEU 97 5.835 2.788 0.209 635 HA LEU 97 HA LEU 97 6.042 1.316 2.667 636 1HB LEU 97 1HB LEU 97 8.141 1.978 2.667 637 2HB LEU 97 2HB LEU 97 7.832 2.498 0.999 638 HG LEU 97 HG LEU 97 7.058 4.692 2.487 639 1HD1 LEU 97 1HD1 LEU 97 8.515 3.145 4.283 640 2HD1 LEU 97 2HD1 LEU 97 9.681 4.357 3.697 641 3HD1 LEU 97 3HD1 LEU 97 8.142 4.880 4.421 642 1HD2 LEU 97 1HD2 LEU 97 9.517 5.447 1.810 643 2HD2 LEU 97 2HD2 LEU 97 9.446 3.937 0.870 644 3HD2 LEU 97 3HD2 LEU 97 8.228 5.208 0.605 645 H SER 98 H SER 98 5.834 2.194 4.797 646 HA SER 98 HA SER 98 4.647 4.818 4.947 647 1HB SER 98 1HB SER 98 3.098 2.410 5.079 648 2HB SER 98 2HB SER 98 3.121 3.120 6.702 649 HG SER 98 HG SER 98 1.984 4.087 4.288 650 H ASP 99 H ASP 99 6.346 5.636 6.195 651 HA ASP 99 HA ASP 99 7.278 4.035 8.394 652 1HB ASP 99 1HB ASP 99 8.419 6.660 8.426 653 2HB ASP 99 2HB ASP 99 9.205 5.143 7.964 654 HD2 ASP 99 HD2 ASP 99 9.623 6.550 4.878 655 H ALA 100 H ALA 100 7.666 5.406 10.556 656 HA ALA 100 HA ALA 100 5.107 6.579 11.229 657 1HB ALA 100 1HB ALA 100 7.103 6.562 13.346 658 2HB ALA 100 2HB ALA 100 5.558 5.684 13.243 659 3HB ALA 100 3HB ALA 100 7.031 4.979 12.533 660 H ALA 101 H ALA 101 6.698 8.063 9.320 661 HA ALA 101 HA ALA 101 6.675 10.574 10.630 662 1HB ALA 101 1HB ALA 101 9.398 10.190 9.593 663 2HB ALA 101 2HB ALA 101 8.852 10.922 11.121 664 3HB ALA 101 3HB ALA 101 9.039 9.156 10.996 665 H GLY 102 H GLY 102 7.718 8.497 7.888 666 1HA GLY 102 1HA GLY 102 7.658 10.660 5.992 667 2HA GLY 102 2HA GLY 102 7.877 8.953 5.667 668 H ASN 103 H ASN 103 5.712 7.608 6.406 669 HA ASN 103 HA ASN 103 3.789 7.069 5.464 670 1HB ASN 103 1HB ASN 103 3.400 8.488 7.686 671 2HB ASN 103 2HB ASN 103 2.655 9.652 6.580 672 1HD2 ASN 103 1HD2 ASN 103 1.139 8.586 8.504 673 2HD2 ASN 103 2HD2 ASN 103 -0.001 7.440 7.882 674 H GLY 104 H GLY 104 1.541 9.021 4.864 675 1HA GLY 104 1HA GLY 104 0.989 10.685 3.347 676 2HA GLY 104 2HA GLY 104 2.609 10.645 2.681 677 HA PRO 105 HA PRO 105 0.008 8.295 -0.186 678 1HB PRO 105 1HB PRO 105 0.722 9.619 -2.465 679 2HB PRO 105 2HB PRO 105 -0.706 10.033 -1.517 680 1HG PRO 105 1HG PRO 105 1.915 11.377 -1.683 681 2HG PRO 105 2HG PRO 105 0.343 12.047 -1.116 682 1HD PRO 105 1HD PRO 105 2.598 11.229 0.448 683 2HD PRO 105 2HD PRO 105 1.017 11.730 1.059 684 H GLU 106 H GLU 106 0.488 6.564 -1.557 685 HA GLU 106 HA GLU 106 3.328 6.020 -1.454 686 1HB GLU 106 1HB GLU 106 0.908 4.270 -2.004 687 2HB GLU 106 2HB GLU 106 2.573 3.678 -2.128 688 1HG GLU 106 1HG GLU 106 2.065 3.096 0.063 689 2HG GLU 106 2HG GLU 106 2.776 4.698 0.324 690 HE2 GLU 106 HE2 GLU 106 -1.058 5.324 0.209 691 H GLY 107 H GLY 107 1.022 4.706 -3.868 692 1HA GLY 107 1HA GLY 107 0.903 5.853 -6.067 693 2HA GLY 107 2HA GLY 107 2.648 5.987 -5.984 694 H VAL 108 H VAL 108 2.014 3.116 -4.421 695 HA VAL 108 HA VAL 108 2.871 1.591 -6.676 696 HB VAL 108 HB VAL 108 2.114 0.896 -3.836 697 1HG1 VAL 108 1HG1 VAL 108 3.389 -1.279 -4.421 698 2HG1 VAL 108 2HG1 VAL 108 1.701 -1.116 -4.962 699 3HG1 VAL 108 3HG1 VAL 108 3.032 -0.858 -6.114 700 1HG2 VAL 108 1HG2 VAL 108 4.123 2.198 -3.908 701 2HG2 VAL 108 2HG2 VAL 108 4.598 0.501 -3.652 702 3HG2 VAL 108 3HG2 VAL 108 4.768 1.239 -5.262 703 H ALA 109 H ALA 109 0.895 2.346 -7.982 704 HA ALA 109 HA ALA 109 -1.652 1.373 -7.301 705 1HB ALA 109 1HB ALA 109 -2.236 2.556 -9.134 706 2HB ALA 109 2HB ALA 109 -0.528 3.050 -9.217 707 3HB ALA 109 3HB ALA 109 -1.101 1.661 -10.172 708 H ILE 110 H ILE 110 -2.203 -0.733 -7.073 709 HA ILE 110 HA ILE 110 -0.905 -2.632 -8.902 710 HB ILE 110 HB ILE 110 -1.755 -2.884 -6.029 711 1HG1 ILE 110 1HG1 ILE 110 0.841 -3.703 -7.317 712 2HG1 ILE 110 2HG1 ILE 110 0.559 -2.048 -6.749 713 1HG2 ILE 110 1HG2 ILE 110 -2.688 -4.817 -7.144 714 2HG2 ILE 110 2HG2 ILE 110 -1.141 -5.132 -7.966 715 3HG2 ILE 110 3HG2 ILE 110 -1.259 -5.300 -6.198 716 1HD1 ILE 110 1HD1 ILE 110 -0.174 -3.222 -4.511 717 2HD1 ILE 110 2HD1 ILE 110 0.712 -4.623 -5.160 718 3HD1 ILE 110 3HD1 ILE 110 1.561 -3.083 -4.883 719 H SER 111 H SER 111 -2.277 -4.498 -9.565 720 HA SER 111 HA SER 111 -5.056 -3.622 -9.706 721 1HB SER 111 1HB SER 111 -3.159 -4.598 -11.732 722 2HB SER 111 2HB SER 111 -4.709 -5.455 -11.777 723 HG SER 111 HG SER 111 -5.426 -3.754 -12.849 724 H PHE 112 H PHE 112 -5.958 -4.774 -7.971 725 HA PHE 112 HA PHE 112 -5.175 -7.452 -7.426 726 1HB PHE 112 1HB PHE 112 -7.673 -5.871 -6.602 727 2HB PHE 112 2HB PHE 112 -6.960 -7.219 -5.710 728 HD1 PHE 112 1HD PHE 112 -7.603 -4.572 -4.499 729 HD2 PHE 112 2HD PHE 112 -4.064 -5.969 -6.379 730 HE1 PHE 112 1HE PHE 112 -6.246 -2.944 -3.154 731 HE2 PHE 112 2HE PHE 112 -2.707 -4.341 -5.034 732 HZ PHE 112 HZ PHE 112 -3.814 -2.848 -3.439 733 H ASN 113 H ASN 113 -5.910 -9.304 -8.353 734 HA ASN 113 HA ASN 113 -8.429 -9.986 -8.825 735 1HB ASN 113 1HB ASN 113 -7.667 -7.994 -10.765 736 2HB ASN 113 2HB ASN 113 -7.846 -9.531 -11.624 737 1HD2 ASN 113 1HD2 ASN 113 -9.427 -6.945 -11.403 738 2HD2 ASN 113 2HD2 ASN 113 -11.059 -7.432 -11.091 Start of MODEL 13 1 H ALA 1 H ALA 1 12.011 6.775 -2.337 2 HA ALA 1 HA ALA 1 10.988 9.012 -2.846 3 1HB ALA 1 1HB ALA 1 13.925 9.720 -2.486 4 2HB ALA 1 2HB ALA 1 12.736 10.781 -3.279 5 3HB ALA 1 3HB ALA 1 12.540 10.350 -1.563 6 H ALA 2 H ALA 2 14.351 8.254 -4.005 7 HA ALA 2 HA ALA 2 13.495 8.316 -6.713 8 1HB ALA 2 1HB ALA 2 16.025 6.968 -6.297 9 2HB ALA 2 2HB ALA 2 15.708 8.568 -7.008 10 3HB ALA 2 3HB ALA 2 15.921 8.403 -5.249 11 HA PRO 3 HA PRO 3 13.868 3.627 -6.221 12 1HB PRO 3 1HB PRO 3 14.222 2.530 -3.743 13 2HB PRO 3 2HB PRO 3 15.552 2.846 -4.857 14 1HG PRO 3 1HG PRO 3 14.698 4.328 -2.453 15 2HG PRO 3 2HG PRO 3 16.297 4.360 -3.284 16 1HD PRO 3 1HD PRO 3 14.219 6.330 -3.343 17 2HD PRO 3 2HD PRO 3 15.704 6.333 -4.305 18 H THR 4 H THR 4 12.566 4.427 -3.027 19 HA THR 4 HA THR 4 10.506 4.241 -2.212 20 HB THR 4 HB THR 4 8.785 5.000 -3.600 21 HG1 THR 4 1HG THR 4 8.534 3.076 -4.828 22 1HG2 THR 4 1HG2 THR 4 9.652 6.514 -5.142 23 2HG2 THR 4 2HG2 THR 4 11.178 6.097 -4.328 24 3HG2 THR 4 3HG2 THR 4 10.742 5.305 -5.862 25 H ALA 5 H ALA 5 8.799 2.698 -1.720 26 HA ALA 5 HA ALA 5 9.741 0.012 -2.304 27 1HB ALA 5 1HB ALA 5 8.754 1.310 -0.036 28 2HB ALA 5 2HB ALA 5 7.398 0.285 -0.565 29 3HB ALA 5 3HB ALA 5 8.985 -0.445 -0.228 30 H THR 6 H THR 6 8.799 -1.296 -3.794 31 HA THR 6 HA THR 6 6.019 -0.733 -4.533 32 HB THR 6 HB THR 6 6.551 -0.529 -6.832 33 HG1 THR 6 1HG THR 6 8.398 -1.610 -7.629 34 1HG2 THR 6 1HG2 THR 6 8.379 1.044 -7.085 35 2HG2 THR 6 2HG2 THR 6 7.675 1.371 -5.483 36 3HG2 THR 6 3HG2 THR 6 9.185 0.437 -5.619 37 H VAL 7 H VAL 7 4.979 -2.562 -5.683 38 HA VAL 7 HA VAL 7 6.099 -5.062 -4.638 39 HB VAL 7 HB VAL 7 3.693 -3.954 -4.159 40 1HG1 VAL 7 1HG1 VAL 7 2.975 -4.058 -6.502 41 2HG1 VAL 7 2HG1 VAL 7 3.237 -5.818 -6.513 42 3HG1 VAL 7 3HG1 VAL 7 1.972 -5.113 -5.479 43 1HG2 VAL 7 1HG2 VAL 7 4.590 -6.827 -4.266 44 2HG2 VAL 7 2HG2 VAL 7 4.327 -5.773 -2.855 45 3HG2 VAL 7 3HG2 VAL 7 2.935 -6.416 -3.757 46 H THR 8 H THR 8 6.820 -6.599 -6.034 47 HA THR 8 HA THR 8 7.451 -6.219 -8.586 48 HB THR 8 HB THR 8 6.765 -8.568 -6.879 49 HG1 THR 8 1HG THR 8 8.931 -9.020 -7.686 50 1HG2 THR 8 1HG2 THR 8 6.944 -10.192 -8.696 51 2HG2 THR 8 2HG2 THR 8 5.589 -9.109 -9.094 52 3HG2 THR 8 3HG2 THR 8 7.163 -8.896 -9.896 53 HA PRO 9 HA PRO 9 3.275 -7.451 -10.301 54 1HB PRO 9 1HB PRO 9 1.221 -8.197 -8.661 55 2HB PRO 9 2HB PRO 9 2.314 -9.350 -9.425 56 1HG PRO 9 1HG PRO 9 2.223 -8.382 -6.639 57 2HG PRO 9 2HG PRO 9 2.995 -9.876 -7.285 58 1HD PRO 9 1HD PRO 9 4.250 -7.439 -6.458 59 2HD PRO 9 2HD PRO 9 5.036 -8.818 -7.236 60 H SER 10 H SER 10 0.861 -6.615 -10.453 61 HA SER 10 HA SER 10 0.221 -4.484 -8.820 62 1HB SER 10 1HB SER 10 2.221 -3.433 -9.872 63 2HB SER 10 2HB SER 10 1.470 -3.623 -11.467 64 HG SER 10 HG SER 10 1.159 -1.614 -9.676 65 H SER 11 H SER 11 -0.823 -6.861 -10.319 66 HA SER 11 HA SER 11 -3.289 -5.948 -10.942 67 1HB SER 11 1HB SER 11 -3.199 -6.275 -13.517 68 2HB SER 11 2HB SER 11 -2.637 -4.730 -12.853 69 HG SER 11 HG SER 11 -1.287 -6.098 -14.526 70 H GLY 12 H GLY 12 -4.652 -7.704 -12.025 71 1HA GLY 12 1HA GLY 12 -5.260 -9.861 -12.189 72 2HA GLY 12 2HA GLY 12 -3.650 -10.174 -12.810 73 H LEU 13 H LEU 13 -4.145 -8.772 -9.570 74 HA LEU 13 HA LEU 13 -2.905 -11.148 -8.449 75 1HB LEU 13 1HB LEU 13 -3.571 -8.542 -7.100 76 2HB LEU 13 2HB LEU 13 -2.469 -9.807 -6.530 77 HG LEU 13 HG LEU 13 -2.090 -7.748 -8.684 78 1HD1 LEU 13 1HD1 LEU 13 -1.321 -7.756 -6.115 79 2HD1 LEU 13 2HD1 LEU 13 0.075 -8.596 -6.835 80 3HD1 LEU 13 3HD1 LEU 13 -0.383 -6.976 -7.412 81 1HD2 LEU 13 1HD2 LEU 13 -0.321 -8.892 -9.717 82 2HD2 LEU 13 2HD2 LEU 13 -0.267 -10.140 -8.450 83 3HD2 LEU 13 3HD2 LEU 13 -1.629 -10.091 -9.594 84 H SER 14 H SER 14 -4.208 -10.329 -5.769 85 HA SER 14 HA SER 14 -6.950 -10.942 -6.208 86 1HB SER 14 1HB SER 14 -5.584 -13.169 -6.276 87 2HB SER 14 2HB SER 14 -5.438 -12.954 -4.522 88 HG SER 14 HG SER 14 -7.326 -14.256 -5.440 89 H ASP 15 H ASP 15 -8.171 -10.942 -4.068 90 HA ASP 15 HA ASP 15 -7.401 -8.816 -2.542 91 1HB ASP 15 1HB ASP 15 -9.160 -9.527 -0.977 92 2HB ASP 15 2HB ASP 15 -9.708 -9.738 -2.648 93 HD2 ASP 15 HD2 ASP 15 -9.860 -13.200 -2.284 94 H GLY 16 H GLY 16 -5.411 -8.829 -1.436 95 1HA GLY 16 1HA GLY 16 -4.234 -9.329 0.504 96 2HA GLY 16 2HA GLY 16 -5.060 -10.869 0.633 97 H THR 17 H THR 17 -3.575 -9.593 -2.381 98 HA THR 17 HA THR 17 -2.104 -12.005 -2.735 99 HB THR 17 HB THR 17 -2.447 -9.349 -4.167 100 HG1 THR 17 1HG THR 17 -3.847 -11.413 -4.199 101 1HG2 THR 17 1HG2 THR 17 -0.388 -9.594 -5.153 102 2HG2 THR 17 2HG2 THR 17 -0.138 -11.185 -4.394 103 3HG2 THR 17 3HG2 THR 17 -1.060 -11.058 -5.911 104 H VAL 18 H VAL 18 -0.766 -12.291 -0.916 105 HA VAL 18 HA VAL 18 1.060 -10.236 -0.165 106 HB VAL 18 HB VAL 18 1.269 -13.159 0.519 107 1HG1 VAL 18 1HG1 VAL 18 2.858 -11.103 1.235 108 2HG1 VAL 18 2HG1 VAL 18 1.634 -10.989 2.522 109 3HG1 VAL 18 3HG1 VAL 18 2.540 -12.503 2.287 110 1HG2 VAL 18 1HG2 VAL 18 -0.811 -13.145 1.337 111 2HG2 VAL 18 2HG2 VAL 18 -0.253 -11.952 2.535 112 3HG2 VAL 18 3HG2 VAL 18 -0.997 -11.404 1.014 113 H VAL 19 H VAL 19 2.089 -9.692 -2.193 114 HA VAL 19 HA VAL 19 3.758 -11.810 -3.314 115 HB VAL 19 HB VAL 19 4.142 -10.025 -5.085 116 1HG1 VAL 19 1HG1 VAL 19 2.748 -11.498 -6.046 117 2HG1 VAL 19 2HG1 VAL 19 1.785 -11.689 -4.562 118 3HG1 VAL 19 3HG1 VAL 19 1.455 -10.335 -5.669 119 1HG2 VAL 19 1HG2 VAL 19 1.613 -8.686 -4.424 120 2HG2 VAL 19 2HG2 VAL 19 2.920 -8.353 -3.262 121 3HG2 VAL 19 3HG2 VAL 19 3.158 -8.008 -4.992 122 H LYS 20 H LYS 20 5.955 -10.608 -4.250 123 HA LYS 20 HA LYS 20 7.296 -9.836 -1.807 124 1HB LYS 20 1HB LYS 20 7.963 -11.295 -4.136 125 2HB LYS 20 2HB LYS 20 9.020 -9.872 -4.102 126 1HG LYS 20 1HG LYS 20 9.693 -10.413 -1.797 127 2HG LYS 20 2HG LYS 20 8.585 -11.794 -1.766 128 1HD LYS 20 1HD LYS 20 10.422 -12.971 -2.416 129 2HD LYS 20 2HD LYS 20 10.044 -12.345 -4.031 130 1HE LYS 20 1HE LYS 20 11.585 -10.459 -3.677 131 2HE LYS 20 2HE LYS 20 11.917 -11.000 -2.024 132 1HZ LYS 20 1HZ LYS 20 12.644 -13.124 -3.135 133 2HZ LYS 20 2HZ LYS 20 12.649 -12.295 -4.542 134 3HZ LYS 20 3HZ LYS 20 13.626 -11.833 -3.319 135 H VAL 21 H VAL 21 8.104 -7.817 -1.333 136 HA VAL 21 HA VAL 21 7.705 -5.778 -3.409 137 HB VAL 21 HB VAL 21 5.948 -5.743 -1.659 138 1HG1 VAL 21 1HG1 VAL 21 7.521 -6.545 0.179 139 2HG1 VAL 21 2HG1 VAL 21 8.114 -4.869 0.267 140 3HG1 VAL 21 3HG1 VAL 21 6.405 -5.227 0.611 141 1HG2 VAL 21 1HG2 VAL 21 7.839 -3.447 -2.084 142 2HG2 VAL 21 2HG2 VAL 21 6.175 -3.678 -2.676 143 3HG2 VAL 21 3HG2 VAL 21 6.462 -3.261 -0.970 144 H ALA 22 H ALA 22 9.424 -4.407 -3.756 145 HA ALA 22 HA ALA 22 11.588 -4.486 -1.787 146 1HB ALA 22 1HB ALA 22 12.009 -4.759 -4.786 147 2HB ALA 22 2HB ALA 22 13.235 -4.878 -3.501 148 3HB ALA 22 3HB ALA 22 11.990 -6.141 -3.664 149 H GLY 23 H GLY 23 12.908 -2.563 -1.779 150 1HA GLY 23 1HA GLY 23 13.470 -0.454 -2.722 151 2HA GLY 23 2HA GLY 23 11.873 -0.353 -3.437 152 H ALA 24 H ALA 24 12.371 1.867 -2.158 153 HA ALA 24 HA ALA 24 10.510 2.446 -0.442 154 1HB ALA 24 1HB ALA 24 12.578 0.809 1.025 155 2HB ALA 24 2HB ALA 24 11.701 2.101 1.878 156 3HB ALA 24 3HB ALA 24 10.803 0.753 1.140 157 H GLY 25 H GLY 25 11.917 3.793 1.739 158 1HA GLY 25 1HA GLY 25 12.800 6.087 0.359 159 2HA GLY 25 2HA GLY 25 12.930 5.773 2.078 160 H LEU 26 H LEU 26 14.344 3.102 0.668 161 HA LEU 26 HA LEU 26 16.458 2.412 0.692 162 1HB LEU 26 1HB LEU 26 16.353 3.107 -1.536 163 2HB LEU 26 2HB LEU 26 16.549 4.818 -1.114 164 HG LEU 26 HG LEU 26 18.874 3.737 -0.157 165 1HD1 LEU 26 1HD1 LEU 26 18.435 1.528 -1.032 166 2HD1 LEU 26 2HD1 LEU 26 18.150 2.190 -2.659 167 3HD1 LEU 26 3HD1 LEU 26 19.774 2.274 -1.936 168 1HD2 LEU 26 1HD2 LEU 26 19.955 4.773 -2.068 169 2HD2 LEU 26 2HD2 LEU 26 18.416 4.789 -2.962 170 3HD2 LEU 26 3HD2 LEU 26 18.605 5.784 -1.498 171 H GLN 27 H GLN 27 16.386 2.979 3.098 172 HA GLN 27 HA GLN 27 18.090 5.249 3.678 173 1HB GLN 27 1HB GLN 27 15.850 4.732 4.877 174 2HB GLN 27 2HB GLN 27 16.747 3.468 5.735 175 1HG GLN 27 1HG GLN 27 17.150 5.182 7.203 176 2HG GLN 27 2HG GLN 27 18.465 5.550 6.075 177 1HE2 GLN 27 1HE2 GLN 27 18.612 7.628 5.762 178 2HE2 GLN 27 2HE2 GLN 27 17.317 8.755 5.532 179 H ALA 28 H ALA 28 17.782 2.102 5.429 180 HA ALA 28 HA ALA 28 19.979 0.782 4.626 181 1HB ALA 28 1HB ALA 28 20.707 3.173 6.263 182 2HB ALA 28 2HB ALA 28 21.551 1.652 6.638 183 3HB ALA 28 3HB ALA 28 21.630 2.333 4.996 184 H GLY 29 H GLY 29 18.378 -0.783 5.289 185 1HA GLY 29 1HA GLY 29 17.513 -2.296 6.705 186 2HA GLY 29 2HA GLY 29 18.832 -1.919 7.796 187 H THR 30 H THR 30 16.983 0.880 6.943 188 HA THR 30 HA THR 30 16.031 1.137 9.625 189 HB THR 30 HB THR 30 15.519 2.789 7.093 190 HG1 THR 30 1HG THR 30 17.722 2.935 7.493 191 1HG2 THR 30 1HG2 THR 30 14.104 3.195 9.292 192 2HG2 THR 30 2HG2 THR 30 15.642 3.787 9.963 193 3HG2 THR 30 3HG2 THR 30 14.927 4.583 8.541 194 H ALA 31 H ALA 31 13.832 1.374 10.327 195 HA ALA 31 HA ALA 31 12.197 -0.688 9.367 196 1HB ALA 31 1HB ALA 31 12.333 0.498 11.689 197 2HB ALA 31 2HB ALA 31 11.203 1.673 10.974 198 3HB ALA 31 3HB ALA 31 10.744 -0.043 11.097 199 H TYR 32 H TYR 32 10.204 -0.620 8.192 200 HA TYR 32 HA TYR 32 9.542 1.907 6.909 201 1HB TYR 32 1HB TYR 32 10.590 -0.685 5.694 202 2HB TYR 32 2HB TYR 32 9.432 0.262 4.756 203 HD1 TYR 32 1HD TYR 32 10.765 2.896 6.175 204 HD2 TYR 32 2HD TYR 32 12.150 -0.343 3.748 205 HE1 TYR 32 1HE TYR 32 12.671 4.345 5.317 206 HE2 TYR 32 2HE TYR 32 14.051 1.116 2.897 207 HH TYR 32 HH TYR 32 14.153 4.515 3.570 208 H ASP 33 H ASP 33 7.702 1.600 8.439 209 HA ASP 33 HA ASP 33 6.089 -0.526 8.580 210 1HB ASP 33 1HB ASP 33 5.953 2.236 9.200 211 2HB ASP 33 2HB ASP 33 4.466 1.889 8.305 212 HD2 ASP 33 HD2 ASP 33 3.938 1.293 11.858 213 H VAL 34 H VAL 34 4.574 -1.542 7.206 214 HA VAL 34 HA VAL 34 4.546 -0.727 4.470 215 HB VAL 34 HB VAL 34 3.202 -2.919 6.050 216 1HG1 VAL 34 1HG1 VAL 34 3.169 -2.668 3.031 217 2HG1 VAL 34 2HG1 VAL 34 2.300 -3.839 4.052 218 3HG1 VAL 34 3HG1 VAL 34 1.827 -2.123 4.065 219 1HG2 VAL 34 1HG2 VAL 34 5.551 -2.805 4.145 220 2HG2 VAL 34 2HG2 VAL 34 5.522 -3.346 5.841 221 3HG2 VAL 34 3HG2 VAL 34 4.739 -4.329 4.579 222 H GLY 35 H GLY 35 2.658 -0.109 3.230 223 1HA GLY 35 1HA GLY 35 0.581 1.175 4.902 224 2HA GLY 35 2HA GLY 35 1.232 1.870 3.431 225 H GLN 36 H GLN 36 -1.060 1.921 2.688 226 HA GLN 36 HA GLN 36 -1.672 0.296 0.758 227 1HB GLN 36 1HB GLN 36 -1.638 -1.754 1.888 228 2HB GLN 36 2HB GLN 36 -2.412 -1.096 3.339 229 1HG GLN 36 1HG GLN 36 -4.298 -2.050 2.502 230 2HG GLN 36 2HG GLN 36 -4.352 -0.650 1.421 231 1HE2 GLN 36 1HE2 GLN 36 -4.682 -1.153 -0.593 232 2HE2 GLN 36 2HE2 GLN 36 -4.133 -2.563 -1.436 233 H CYS 37 H CYS 37 -2.817 2.055 -0.027 234 HA CYS 37 HA CYS 37 -5.214 2.756 1.507 235 1HB CYS 37 1HB CYS 37 -3.570 4.597 -0.222 236 2HB CYS 37 2HB CYS 37 -5.034 5.031 0.678 237 H ALA 38 H ALA 38 -6.603 4.208 -0.377 238 HA ALA 38 HA ALA 38 -6.595 2.573 -2.806 239 1HB ALA 38 1HB ALA 38 -8.764 1.874 -2.549 240 2HB ALA 38 2HB ALA 38 -8.347 2.022 -0.825 241 3HB ALA 38 3HB ALA 38 -9.239 3.328 -1.640 242 H TRP 39 H TRP 39 -5.514 4.440 -3.752 243 HA TRP 39 HA TRP 39 -6.682 7.009 -3.620 244 1HB TRP 39 1HB TRP 39 -4.540 7.265 -4.178 245 2HB TRP 39 2HB TRP 39 -4.432 5.700 -4.986 246 HD1 TRP 39 HD TRP 39 -6.671 8.741 -6.000 247 HE1 TRP 39 1HE TRP 39 -6.179 9.460 -8.490 248 HE3 TRP 39 3HE TRP 39 -2.899 5.419 -6.766 249 HZ2 TRP 39 2HZ TRP 39 -4.308 8.579 -10.457 250 HZ3 TRP 39 3HZ TRP 39 -1.792 5.414 -9.000 251 HH2 TRP 39 HH TRP 39 -2.441 6.921 -10.811 252 H VAL 40 H VAL 40 -8.602 7.593 -4.535 253 HA VAL 40 HA VAL 40 -9.404 6.135 -6.960 254 HB VAL 40 HB VAL 40 -11.173 7.435 -4.882 255 1HG1 VAL 40 1HG1 VAL 40 -11.644 6.372 -7.540 256 2HG1 VAL 40 2HG1 VAL 40 -12.581 5.478 -6.319 257 3HG1 VAL 40 3HG1 VAL 40 -12.749 7.245 -6.453 258 1HG2 VAL 40 1HG2 VAL 40 -11.745 4.918 -4.451 259 2HG2 VAL 40 2HG2 VAL 40 -10.131 4.624 -5.142 260 3HG2 VAL 40 3HG2 VAL 40 -10.306 5.641 -3.692 261 H ASP 41 H ASP 41 -8.924 9.246 -5.307 262 HA ASP 41 HA ASP 41 -8.582 10.574 -7.702 263 1HB ASP 41 1HB ASP 41 -11.340 10.381 -6.789 264 2HB ASP 41 2HB ASP 41 -10.818 12.073 -6.771 265 HD2 ASP 41 HD2 ASP 41 -11.297 10.224 -10.249 266 H THR 42 H THR 42 -8.778 13.179 -7.135 267 HA THR 42 HA THR 42 -7.044 13.640 -5.006 268 HB THR 42 HB THR 42 -8.961 15.472 -6.541 269 HG1 THR 42 1HG THR 42 -6.833 15.801 -7.660 270 1HG2 THR 42 1HG2 THR 42 -7.839 16.354 -4.302 271 2HG2 THR 42 2HG2 THR 42 -6.337 16.299 -5.255 272 3HG2 THR 42 3HG2 THR 42 -7.689 17.327 -5.785 273 H GLY 43 H GLY 43 -7.705 12.677 -3.081 274 1HA GLY 43 1HA GLY 43 -8.537 13.377 -0.968 275 2HA GLY 43 2HA GLY 43 -9.914 14.118 -1.760 276 H VAL 44 H VAL 44 -9.687 11.449 -3.590 277 HA VAL 44 HA VAL 44 -11.522 9.980 -1.857 278 HB VAL 44 HB VAL 44 -10.994 9.417 -4.759 279 1HG1 VAL 44 1HG1 VAL 44 -12.412 7.903 -3.319 280 2HG1 VAL 44 2HG1 VAL 44 -13.563 9.250 -3.155 281 3HG1 VAL 44 3HG1 VAL 44 -13.225 8.557 -4.760 282 1HG2 VAL 44 1HG2 VAL 44 -11.356 11.768 -4.823 283 2HG2 VAL 44 2HG2 VAL 44 -12.909 11.012 -5.250 284 3HG2 VAL 44 3HG2 VAL 44 -12.661 11.675 -3.616 285 H LEU 45 H LEU 45 -8.792 9.905 -1.102 286 HA LEU 45 HA LEU 45 -7.895 7.309 -2.107 287 1HB LEU 45 1HB LEU 45 -6.318 9.117 -2.283 288 2HB LEU 45 2HB LEU 45 -6.463 9.465 -0.551 289 HG LEU 45 HG LEU 45 -5.618 6.717 -1.325 290 1HD1 LEU 45 1HD1 LEU 45 -3.567 7.188 -2.164 291 2HD1 LEU 45 2HD1 LEU 45 -4.412 8.642 -2.749 292 3HD1 LEU 45 3HD1 LEU 45 -3.424 8.721 -1.270 293 1HD2 LEU 45 1HD2 LEU 45 -5.175 8.646 0.916 294 2HD2 LEU 45 2HD2 LEU 45 -5.629 6.925 0.953 295 3HD2 LEU 45 3HD2 LEU 45 -3.947 7.395 0.606 296 H ALA 46 H ALA 46 -9.125 5.793 -1.016 297 HA ALA 46 HA ALA 46 -9.718 6.105 1.752 298 1HB ALA 46 1HB ALA 46 -9.882 3.448 0.383 299 2HB ALA 46 2HB ALA 46 -11.064 4.269 1.429 300 3HB ALA 46 3HB ALA 46 -10.883 4.769 -0.269 301 H CYS 47 H CYS 47 -7.729 6.373 2.862 302 HA CYS 47 HA CYS 47 -5.630 4.494 2.472 303 1HB CYS 47 1HB CYS 47 -6.055 6.974 3.880 304 2HB CYS 47 2HB CYS 47 -5.207 5.805 4.907 305 H ASN 48 H ASN 48 -5.050 2.745 3.869 306 HA ASN 48 HA ASN 48 -7.174 2.039 5.736 307 1HB ASN 48 1HB ASN 48 -6.616 0.553 3.651 308 2HB ASN 48 2HB ASN 48 -5.167 0.075 4.549 309 1HD2 ASN 48 1HD2 ASN 48 -8.635 -0.024 4.334 310 2HD2 ASN 48 2HD2 ASN 48 -8.930 -1.251 5.522 311 HA PRO 49 HA PRO 49 -3.507 2.683 8.294 312 1HB PRO 49 1HB PRO 49 -4.818 3.657 10.485 313 2HB PRO 49 2HB PRO 49 -4.192 4.687 9.198 314 1HG PRO 49 1HG PRO 49 -6.956 3.829 9.768 315 2HG PRO 49 2HG PRO 49 -6.396 5.228 8.784 316 1HD PRO 49 1HD PRO 49 -7.450 2.724 7.880 317 2HD PRO 49 2HD PRO 49 -6.763 4.005 6.872 318 H ALA 50 H ALA 50 -4.679 0.178 7.778 319 HA ALA 50 HA ALA 50 -4.392 -0.927 10.482 320 1HB ALA 50 1HB ALA 50 -6.315 -2.015 8.402 321 2HB ALA 50 2HB ALA 50 -6.229 -2.398 10.138 322 3HB ALA 50 3HB ALA 50 -6.807 -0.801 9.608 323 H ASP 51 H ASP 51 -3.050 -0.554 7.493 324 HA ASP 51 HA ASP 51 -2.546 -2.905 6.389 325 1HB ASP 51 1HB ASP 51 -0.153 -2.012 6.011 326 2HB ASP 51 2HB ASP 51 -1.489 -0.995 5.449 327 HD2 ASP 51 HD2 ASP 51 -0.483 1.600 7.431 328 H PHE 52 H PHE 52 -0.785 -1.470 9.237 329 HA PHE 52 HA PHE 52 0.311 -2.391 10.915 330 1HB PHE 52 1HB PHE 52 -0.857 -5.003 9.792 331 2HB PHE 52 2HB PHE 52 -0.170 -4.828 11.410 332 HD1 PHE 52 1HD PHE 52 -1.468 -2.002 11.800 333 HD2 PHE 52 2HD PHE 52 -2.981 -5.785 10.612 334 HE1 PHE 52 1HE PHE 52 -3.733 -1.372 12.678 335 HE2 PHE 52 2HE PHE 52 -5.246 -5.154 11.491 336 HZ PHE 52 HZ PHE 52 -5.595 -2.956 12.512 337 H SER 53 H SER 53 0.476 -4.426 7.924 338 HA SER 53 HA SER 53 2.673 -5.800 8.217 339 1HB SER 53 1HB SER 53 1.583 -4.231 5.920 340 2HB SER 53 2HB SER 53 3.220 -4.884 5.723 341 HG SER 53 HG SER 53 0.847 -6.392 6.432 342 H SER 54 H SER 54 5.021 -5.477 7.704 343 HA SER 54 HA SER 54 5.931 -2.764 7.729 344 1HB SER 54 1HB SER 54 5.649 -3.175 10.124 345 2HB SER 54 2HB SER 54 6.590 -4.673 10.015 346 HG SER 54 HG SER 54 8.218 -3.368 10.537 347 H VAL 55 H VAL 55 8.147 -2.593 6.992 348 HA VAL 55 HA VAL 55 9.428 -5.136 6.327 349 HB VAL 55 HB VAL 55 8.346 -4.644 4.316 350 1HG1 VAL 55 1HG1 VAL 55 9.145 -1.750 4.750 351 2HG1 VAL 55 2HG1 VAL 55 8.451 -2.375 3.236 352 3HG1 VAL 55 3HG1 VAL 55 7.503 -2.437 4.741 353 1HG2 VAL 55 1HG2 VAL 55 10.654 -5.195 3.921 354 2HG2 VAL 55 2HG2 VAL 55 10.184 -3.920 2.771 355 3HG2 VAL 55 3HG2 VAL 55 11.158 -3.511 4.204 356 H THR 56 H THR 56 11.785 -4.841 5.827 357 HA THR 56 HA THR 56 12.830 -2.417 7.134 358 HB THR 56 HB THR 56 13.345 -5.356 7.616 359 HG1 THR 56 1HG THR 56 12.743 -4.527 9.584 360 1HG2 THR 56 1HG2 THR 56 15.495 -4.770 8.731 361 2HG2 THR 56 2HG2 THR 56 15.602 -4.450 6.983 362 3HG2 THR 56 3HG2 THR 56 15.361 -3.103 8.121 363 H ALA 57 H ALA 57 14.630 -1.446 6.239 364 HA ALA 57 HA ALA 57 14.987 -1.892 3.481 365 1HB ALA 57 1HB ALA 57 15.337 0.309 4.182 366 2HB ALA 57 2HB ALA 57 16.271 -0.187 5.614 367 3HB ALA 57 3HB ALA 57 17.004 -0.284 3.995 368 H ASP 58 H ASP 58 17.489 -2.004 2.695 369 HA ASP 58 HA ASP 58 18.737 -4.157 4.196 370 1HB ASP 58 1HB ASP 58 19.363 -5.135 1.895 371 2HB ASP 58 2HB ASP 58 17.690 -5.360 2.427 372 HD2 ASP 58 HD2 ASP 58 17.066 -4.293 -0.812 373 H ALA 59 H ALA 59 20.896 -3.611 4.559 374 HA ALA 59 HA ALA 59 22.623 -2.132 4.562 375 1HB ALA 59 1HB ALA 59 22.601 -3.734 2.008 376 2HB ALA 59 2HB ALA 59 23.922 -2.580 2.313 377 3HB ALA 59 3HB ALA 59 23.628 -3.918 3.449 378 H ASN 60 H ASN 60 22.131 -1.833 1.030 379 HA ASN 60 HA ASN 60 22.690 0.713 0.762 380 1HB ASN 60 1HB ASN 60 21.255 -1.235 -0.747 381 2HB ASN 60 2HB ASN 60 20.266 0.232 -0.802 382 1HD2 ASN 60 1HD2 ASN 60 20.953 -0.186 -3.125 383 2HD2 ASN 60 2HD2 ASN 60 22.370 0.636 -3.689 384 H GLY 61 H GLY 61 19.437 -0.635 1.656 385 1HA GLY 61 1HA GLY 61 18.398 0.749 3.494 386 2HA GLY 61 2HA GLY 61 18.554 2.091 2.378 387 H SER 62 H SER 62 18.102 -0.497 0.353 388 HA SER 62 HA SER 62 15.430 0.251 -0.140 389 1HB SER 62 1HB SER 62 17.505 -1.431 -1.379 390 2HB SER 62 2HB SER 62 15.871 -2.081 -1.600 391 HG SER 62 HG SER 62 17.078 -0.017 -2.895 392 H ALA 63 H ALA 63 13.495 -0.918 0.257 393 HA ALA 63 HA ALA 63 13.667 -2.789 2.430 394 1HB ALA 63 1HB ALA 63 11.466 -2.257 2.760 395 2HB ALA 63 2HB ALA 63 11.894 -0.857 1.747 396 3HB ALA 63 3HB ALA 63 11.091 -2.269 1.021 397 H SER 64 H SER 64 12.616 -4.943 2.365 398 HA SER 64 HA SER 64 12.095 -6.044 -0.200 399 1HB SER 64 1HB SER 64 14.712 -6.473 1.152 400 2HB SER 64 2HB SER 64 13.933 -7.936 0.525 401 HG SER 64 HG SER 64 13.764 -6.793 -1.560 402 H THR 65 H THR 65 10.332 -7.326 0.197 403 HA THR 65 HA THR 65 10.331 -9.411 2.042 404 HB THR 65 HB THR 65 10.305 -7.500 3.700 405 HG1 THR 65 1HG THR 65 8.235 -8.388 4.667 406 1HG2 THR 65 1HG2 THR 65 7.852 -6.502 3.858 407 2HG2 THR 65 2HG2 THR 65 9.029 -5.726 2.772 408 3HG2 THR 65 3HG2 THR 65 7.804 -6.833 2.111 409 H SER 66 H SER 66 7.343 -8.824 2.634 410 HA SER 66 HA SER 66 6.391 -9.146 -0.090 411 1HB SER 66 1HB SER 66 5.305 -10.898 2.118 412 2HB SER 66 2HB SER 66 5.218 -11.145 0.364 413 HG SER 66 HG SER 66 7.800 -11.131 0.859 414 H LEU 67 H LEU 67 4.596 -7.877 -0.466 415 HA LEU 67 HA LEU 67 3.337 -6.697 1.897 416 1HB LEU 67 1HB LEU 67 4.333 -5.632 -0.494 417 2HB LEU 67 2HB LEU 67 2.569 -5.500 -0.603 418 HG LEU 67 HG LEU 67 3.958 -3.547 0.386 419 1HD1 LEU 67 1HD1 LEU 67 1.721 -4.281 2.220 420 2HD1 LEU 67 2HD1 LEU 67 2.066 -2.750 1.378 421 3HD1 LEU 67 3HD1 LEU 67 1.371 -4.123 0.482 422 1HD2 LEU 67 1HD2 LEU 67 4.804 -3.652 2.495 423 2HD2 LEU 67 2HD2 LEU 67 3.640 -4.889 3.028 424 3HD2 LEU 67 3HD2 LEU 67 5.033 -5.353 2.020 425 H THR 68 H THR 68 1.180 -6.997 2.352 426 HA THR 68 HA THR 68 -0.135 -9.070 0.798 427 HB THR 68 HB THR 68 -0.153 -9.358 3.202 428 HG1 THR 68 1HG THR 68 -2.260 -9.812 2.615 429 1HG2 THR 68 1HG2 THR 68 0.037 -7.490 4.518 430 2HG2 THR 68 2HG2 THR 68 -0.492 -6.426 3.192 431 3HG2 THR 68 3HG2 THR 68 -1.700 -7.234 4.221 432 H VAL 69 H VAL 69 -0.449 -7.856 -1.175 433 HA VAL 69 HA VAL 69 -1.811 -5.436 -1.258 434 HB VAL 69 HB VAL 69 -1.936 -7.620 -3.334 435 1HG1 VAL 69 1HG1 VAL 69 -2.919 -6.046 -4.568 436 2HG1 VAL 69 2HG1 VAL 69 -2.760 -4.870 -3.241 437 3HG1 VAL 69 3HG1 VAL 69 -1.451 -5.048 -4.434 438 1HG2 VAL 69 1HG2 VAL 69 0.408 -6.248 -2.250 439 2HG2 VAL 69 2HG2 VAL 69 0.304 -7.655 -3.334 440 3HG2 VAL 69 3HG2 VAL 69 0.223 -6.008 -4.004 441 H ARG 70 H ARG 70 -3.359 -5.956 0.593 442 HA ARG 70 HA ARG 70 -5.400 -7.796 0.133 443 1HB ARG 70 1HB ARG 70 -6.574 -6.286 1.950 444 2HB ARG 70 2HB ARG 70 -5.126 -7.201 2.402 445 1HG ARG 70 1HG ARG 70 -4.410 -4.620 1.256 446 2HG ARG 70 2HG ARG 70 -5.532 -4.401 2.608 447 1HD ARG 70 1HD ARG 70 -3.915 -4.909 4.105 448 2HD ARG 70 2HD ARG 70 -3.503 -6.405 3.256 449 HE ARG 70 HE ARG 70 -2.282 -4.654 1.645 450 1HH1 ARG 70 1HH1 ARG 70 -2.436 -4.618 5.161 451 2HH1 ARG 70 2HH1 ARG 70 -0.916 -3.807 5.346 452 1HH2 ARG 70 1HH2 ARG 70 -0.278 -3.584 1.889 453 2HH2 ARG 70 2HH2 ARG 70 0.320 -3.216 3.473 454 H ARG 71 H ARG 71 -7.275 -7.614 -1.081 455 HA ARG 71 HA ARG 71 -7.640 -5.155 -2.486 456 1HB ARG 71 1HB ARG 71 -7.873 -7.266 -3.703 457 2HB ARG 71 2HB ARG 71 -9.125 -7.829 -2.584 458 1HG ARG 71 1HG ARG 71 -10.336 -5.584 -3.330 459 2HG ARG 71 2HG ARG 71 -9.282 -5.726 -4.749 460 1HD ARG 71 1HD ARG 71 -11.227 -6.888 -5.400 461 2HD ARG 71 2HD ARG 71 -10.163 -8.197 -4.858 462 HE ARG 71 HE ARG 71 -11.745 -7.208 -2.660 463 1HH1 ARG 71 1HH1 ARG 71 -11.993 -9.169 -5.571 464 2HH1 ARG 71 2HH1 ARG 71 -13.321 -10.110 -4.977 465 1HH2 ARG 71 1HH2 ARG 71 -13.497 -8.449 -1.877 466 2HH2 ARG 71 2HH2 ARG 71 -14.182 -9.698 -2.862 467 H SER 72 H SER 72 -10.016 -7.388 -0.856 468 HA SER 72 HA SER 72 -11.912 -5.423 -0.499 469 1HB SER 72 1HB SER 72 -12.996 -7.012 1.030 470 2HB SER 72 2HB SER 72 -12.378 -7.855 -0.402 471 HG SER 72 HG SER 72 -11.367 -7.847 2.293 472 H PHE 73 H PHE 73 -11.200 -3.506 0.494 473 HA PHE 73 HA PHE 73 -10.467 -3.811 3.309 474 1HB PHE 73 1HB PHE 73 -8.870 -2.886 1.062 475 2HB PHE 73 2HB PHE 73 -9.209 -1.486 2.087 476 HD1 PHE 73 1HD PHE 73 -8.882 -4.891 3.431 477 HD2 PHE 73 2HD PHE 73 -6.922 -1.187 2.760 478 HE1 PHE 73 1HE PHE 73 -7.028 -5.592 4.971 479 HE2 PHE 73 2HE PHE 73 -5.069 -1.889 4.302 480 HZ PHE 73 HZ PHE 73 -5.144 -4.083 5.389 481 H GLU 74 H GLU 74 -10.616 -1.558 4.448 482 HA GLU 74 HA GLU 74 -12.798 -0.064 3.223 483 1HB GLU 74 1HB GLU 74 -13.902 0.141 5.380 484 2HB GLU 74 2HB GLU 74 -13.651 -1.577 5.032 485 1HG GLU 74 1HG GLU 74 -12.586 -1.763 7.006 486 2HG GLU 74 2HG GLU 74 -11.311 -0.697 6.393 487 HE2 GLU 74 HE2 GLU 74 -13.467 2.009 7.797 488 H GLY 75 H GLY 75 -10.869 1.262 2.504 489 1HA GLY 75 1HA GLY 75 -9.339 2.637 4.508 490 2HA GLY 75 2HA GLY 75 -9.334 2.910 2.777 491 H PHE 76 H PHE 76 -9.353 4.973 4.847 492 HA PHE 76 HA PHE 76 -12.068 6.019 4.682 493 1HB PHE 76 1HB PHE 76 -11.180 7.593 6.396 494 2HB PHE 76 2HB PHE 76 -10.766 5.941 6.860 495 HD1 PHE 76 1HD PHE 76 -8.443 5.153 6.642 496 HD2 PHE 76 2HD PHE 76 -9.494 9.180 5.812 497 HE1 PHE 76 1HE PHE 76 -6.025 5.814 6.785 498 HE2 PHE 76 2HE PHE 76 -7.077 9.841 5.955 499 HZ PHE 76 HZ PHE 76 -5.371 8.150 6.440 500 H LEU 77 H LEU 77 -12.619 7.849 3.515 501 HA LEU 77 HA LEU 77 -11.419 8.556 1.266 502 1HB LEU 77 1HB LEU 77 -13.051 10.079 3.235 503 2HB LEU 77 2HB LEU 77 -12.351 10.955 1.860 504 HG LEU 77 HG LEU 77 -14.727 10.142 1.599 505 1HD1 LEU 77 1HD1 LEU 77 -14.421 9.431 -0.734 506 2HD1 LEU 77 2HD1 LEU 77 -13.389 10.820 -0.316 507 3HD1 LEU 77 3HD1 LEU 77 -12.684 9.189 -0.428 508 1HD2 LEU 77 1HD2 LEU 77 -14.904 7.708 0.857 509 2HD2 LEU 77 2HD2 LEU 77 -13.332 7.465 1.657 510 3HD2 LEU 77 3HD2 LEU 77 -14.736 8.016 2.603 511 H PHE 78 H PHE 78 -10.815 10.396 4.349 512 HA PHE 78 HA PHE 78 -8.157 10.357 4.425 513 1HB PHE 78 1HB PHE 78 -7.558 11.297 2.391 514 2HB PHE 78 2HB PHE 78 -9.194 11.893 2.097 515 HD1 PHE 78 1HD PHE 78 -5.897 12.680 3.451 516 HD2 PHE 78 2HD PHE 78 -9.839 14.125 2.835 517 HE1 PHE 78 1HE PHE 78 -5.115 15.018 3.928 518 HE2 PHE 78 2HE PHE 78 -9.057 16.462 3.312 519 HZ PHE 78 HZ PHE 78 -6.705 16.880 3.853 520 H ASP 79 H ASP 79 -11.131 12.262 4.570 521 HA ASP 79 HA ASP 79 -10.808 12.963 7.163 522 1HB ASP 79 1HB ASP 79 -8.974 14.431 5.778 523 2HB ASP 79 2HB ASP 79 -10.365 15.520 5.669 524 HD2 ASP 79 HD2 ASP 79 -9.370 16.757 8.694 525 H GLY 80 H GLY 80 -12.979 12.073 5.881 526 1HA GLY 80 1HA GLY 80 -14.864 14.241 6.023 527 2HA GLY 80 2HA GLY 80 -14.628 13.643 4.393 528 H THR 81 H THR 81 -14.383 10.964 4.501 529 HA THR 81 HA THR 81 -16.268 9.818 6.357 530 HB THR 81 HB THR 81 -16.995 10.624 3.572 531 HG1 THR 81 1HG THR 81 -18.171 11.367 5.412 532 1HG2 THR 81 1HG2 THR 81 -18.391 8.710 3.131 533 2HG2 THR 81 2HG2 THR 81 -16.792 8.028 3.514 534 3HG2 THR 81 3HG2 THR 81 -18.080 8.022 4.743 535 H ARG 82 H ARG 82 -16.588 7.389 5.773 536 HA ARG 82 HA ARG 82 -13.965 6.481 4.898 537 1HB ARG 82 1HB ARG 82 -15.309 6.019 7.309 538 2HB ARG 82 2HB ARG 82 -15.583 4.521 6.403 539 1HG ARG 82 1HG ARG 82 -13.274 4.064 6.238 540 2HG ARG 82 2HG ARG 82 -12.811 5.743 6.564 541 1HD ARG 82 1HD ARG 82 -14.257 4.961 8.844 542 2HD ARG 82 2HD ARG 82 -13.298 3.530 8.439 543 HE ARG 82 HE ARG 82 -11.387 4.694 9.101 544 1HH1 ARG 82 1HH1 ARG 82 -13.942 7.014 8.414 545 2HH1 ARG 82 2HH1 ARG 82 -13.025 8.379 8.960 546 1HH2 ARG 82 1HH2 ARG 82 -10.176 6.495 9.821 547 2HH2 ARG 82 2HH2 ARG 82 -10.869 8.081 9.764 548 H TRP 83 H TRP 83 -13.847 4.816 3.321 549 HA TRP 83 HA TRP 83 -16.069 4.544 1.621 550 1HB TRP 83 1HB TRP 83 -13.318 3.435 1.788 551 2HB TRP 83 2HB TRP 83 -14.484 2.578 0.778 552 HD1 TRP 83 HD TRP 83 -12.336 5.710 0.824 553 HE1 TRP 83 1HE TRP 83 -12.524 7.076 -1.426 554 HE3 TRP 83 3HE TRP 83 -16.274 3.094 -1.048 555 HZ2 TRP 83 2HZ TRP 83 -14.260 6.913 -3.686 556 HZ3 TRP 83 3HZ TRP 83 -17.155 3.762 -3.283 557 HH2 TRP 83 HH TRP 83 -16.213 5.600 -4.591 558 H GLY 84 H GLY 84 -14.370 1.588 2.636 559 1HA GLY 84 1HA GLY 84 -15.781 0.454 4.576 560 2HA GLY 84 2HA GLY 84 -16.935 0.355 3.261 561 H THR 85 H THR 85 -15.965 -1.995 4.412 562 HA THR 85 HA THR 85 -13.672 -3.013 3.116 563 HB THR 85 HB THR 85 -16.068 -4.230 4.570 564 HG1 THR 85 1HG THR 85 -14.528 -4.126 6.235 565 1HG2 THR 85 1HG2 THR 85 -14.311 -6.189 4.803 566 2HG2 THR 85 2HG2 THR 85 -15.314 -6.121 3.333 567 3HG2 THR 85 3HG2 THR 85 -13.634 -5.532 3.293 568 H VAL 86 H VAL 86 -14.235 -2.053 0.927 569 HA VAL 86 HA VAL 86 -15.988 -3.918 -0.512 570 HB VAL 86 HB VAL 86 -16.540 -1.447 -0.437 571 1HG1 VAL 86 1HG1 VAL 86 -15.294 0.026 -1.969 572 2HG1 VAL 86 2HG1 VAL 86 -14.267 -0.560 -0.637 573 3HG1 VAL 86 3HG1 VAL 86 -14.116 -1.277 -2.260 574 1HG2 VAL 86 1HG2 VAL 86 -17.654 -1.720 -2.375 575 2HG2 VAL 86 2HG2 VAL 86 -16.165 -2.008 -3.307 576 3HG2 VAL 86 3HG2 VAL 86 -16.912 -3.338 -2.389 577 H ASP 87 H ASP 87 -15.238 -4.297 -2.863 578 HA ASP 87 HA ASP 87 -12.693 -5.415 -2.717 579 1HB ASP 87 1HB ASP 87 -14.070 -4.742 -5.326 580 2HB ASP 87 2HB ASP 87 -13.099 -6.170 -4.935 581 HD2 ASP 87 HD2 ASP 87 -15.945 -7.920 -4.286 582 H CYS 88 H CYS 88 -10.949 -3.954 -2.479 583 HA CYS 88 HA CYS 88 -10.769 -1.404 -3.269 584 1HB CYS 88 1HB CYS 88 -8.813 -3.570 -2.833 585 2HB CYS 88 2HB CYS 88 -8.212 -2.140 -3.693 586 H THR 89 H THR 89 -10.584 -4.350 -5.256 587 HA THR 89 HA THR 89 -9.345 -3.440 -7.524 588 HB THR 89 HB THR 89 -10.384 -5.770 -6.807 589 HG1 THR 89 1HG THR 89 -10.466 -4.511 -9.456 590 1HG2 THR 89 1HG2 THR 89 -12.523 -6.292 -7.696 591 2HG2 THR 89 2HG2 THR 89 -12.797 -4.681 -6.992 592 3HG2 THR 89 3HG2 THR 89 -12.539 -4.853 -8.745 593 H THR 90 H THR 90 -12.387 -2.387 -6.158 594 HA THR 90 HA THR 90 -13.420 -1.360 -8.626 595 HB THR 90 HB THR 90 -14.146 -1.418 -5.704 596 HG1 THR 90 1HG THR 90 -15.499 -2.778 -6.803 597 1HG2 THR 90 1HG2 THR 90 -16.205 0.052 -6.648 598 2HG2 THR 90 2HG2 THR 90 -14.803 0.826 -5.874 599 3HG2 THR 90 3HG2 THR 90 -14.915 0.761 -7.649 600 H ALA 91 H ALA 91 -11.155 -0.266 -6.167 601 HA ALA 91 HA ALA 91 -11.041 2.297 -7.598 602 1HB ALA 91 1HB ALA 91 -11.568 3.348 -5.685 603 2HB ALA 91 2HB ALA 91 -11.690 1.789 -4.837 604 3HB ALA 91 3HB ALA 91 -10.128 2.637 -4.918 605 H ALA 92 H ALA 92 -9.617 -0.494 -7.626 606 HA ALA 92 HA ALA 92 -7.524 -1.316 -7.516 607 1HB ALA 92 1HB ALA 92 -6.773 -0.646 -9.522 608 2HB ALA 92 2HB ALA 92 -7.865 0.758 -9.448 609 3HB ALA 92 3HB ALA 92 -6.206 0.887 -8.818 610 H CYS 93 H CYS 93 -7.432 -1.067 -5.109 611 HA CYS 93 HA CYS 93 -6.471 1.117 -3.805 612 1HB CYS 93 1HB CYS 93 -6.554 -1.778 -3.308 613 2HB CYS 93 2HB CYS 93 -5.345 -0.891 -2.362 614 H GLN 94 H GLN 94 -4.091 0.840 -2.579 615 HA GLN 94 HA GLN 94 -2.115 0.043 -4.505 616 1HB GLN 94 1HB GLN 94 -1.113 2.123 -4.846 617 2HB GLN 94 2HB GLN 94 -2.836 2.535 -4.891 618 1HG GLN 94 1HG GLN 94 -2.264 2.738 -2.195 619 2HG GLN 94 2HG GLN 94 -0.742 3.281 -2.920 620 1HE2 GLN 94 1HE2 GLN 94 -4.045 3.950 -2.282 621 2HE2 GLN 94 2HE2 GLN 94 -4.144 5.534 -2.976 622 H VAL 95 H VAL 95 0.029 -0.207 -3.541 623 HA VAL 95 HA VAL 95 -0.119 -0.273 -0.609 624 HB VAL 95 HB VAL 95 0.911 -2.116 -2.675 625 1HG1 VAL 95 1HG1 VAL 95 2.582 -3.069 -1.002 626 2HG1 VAL 95 2HG1 VAL 95 3.055 -1.562 -1.825 627 3HG1 VAL 95 3HG1 VAL 95 2.464 -1.512 -0.146 628 1HG2 VAL 95 1HG2 VAL 95 -1.058 -2.544 -1.180 629 2HG2 VAL 95 2HG2 VAL 95 0.202 -3.799 -1.110 630 3HG2 VAL 95 3HG2 VAL 95 0.067 -2.602 0.199 631 H GLY 96 H GLY 96 0.951 1.388 0.324 632 1HA GLY 96 1HA GLY 96 3.291 2.481 -1.110 633 2HA GLY 96 2HA GLY 96 2.259 3.365 -0.003 634 H LEU 97 H LEU 97 4.883 3.563 0.561 635 HA LEU 97 HA LEU 97 5.333 1.586 2.686 636 1HB LEU 97 1HB LEU 97 6.931 1.677 0.745 637 2HB LEU 97 2HB LEU 97 7.424 3.278 1.328 638 HG LEU 97 HG LEU 97 8.893 1.316 1.965 639 1HD1 LEU 97 1HD1 LEU 97 8.165 3.629 3.389 640 2HD1 LEU 97 2HD1 LEU 97 8.269 2.322 4.594 641 3HD1 LEU 97 3HD1 LEU 97 9.660 2.675 3.542 642 1HD2 LEU 97 1HD2 LEU 97 8.214 -0.372 3.305 643 2HD2 LEU 97 2HD2 LEU 97 7.078 0.652 4.214 644 3HD2 LEU 97 3HD2 LEU 97 6.622 0.023 2.612 645 H SER 98 H SER 98 6.254 2.403 4.714 646 HA SER 98 HA SER 98 5.848 5.258 5.050 647 1HB SER 98 1HB SER 98 4.031 3.339 5.968 648 2HB SER 98 2HB SER 98 4.993 3.722 7.407 649 HG SER 98 HG SER 98 4.537 6.026 6.903 650 H ASP 99 H ASP 99 7.375 6.224 6.429 651 HA ASP 99 HA ASP 99 9.297 4.346 7.556 652 1HB ASP 99 1HB ASP 99 10.474 6.885 7.554 653 2HB ASP 99 2HB ASP 99 10.800 5.589 6.393 654 HD2 ASP 99 HD2 ASP 99 9.326 7.336 3.839 655 H ALA 100 H ALA 100 10.640 5.868 9.395 656 HA ALA 100 HA ALA 100 8.687 6.270 11.432 657 1HB ALA 100 1HB ALA 100 11.622 7.020 11.554 658 2HB ALA 100 2HB ALA 100 10.558 6.469 12.870 659 3HB ALA 100 3HB ALA 100 11.086 5.324 11.614 660 H ALA 101 H ALA 101 9.432 8.114 8.796 661 HA ALA 101 HA ALA 101 9.345 10.643 10.269 662 1HB ALA 101 1HB ALA 101 10.872 11.236 8.730 663 2HB ALA 101 2HB ALA 101 10.659 9.693 7.868 664 3HB ALA 101 3HB ALA 101 9.613 11.079 7.482 665 H GLY 102 H GLY 102 7.332 8.327 8.820 666 1HA GLY 102 1HA GLY 102 5.119 8.356 8.388 667 2HA GLY 102 2HA GLY 102 5.043 9.997 9.000 668 H ASN 103 H ASN 103 7.175 8.889 6.323 669 HA ASN 103 HA ASN 103 6.683 10.963 4.694 670 1HB ASN 103 1HB ASN 103 7.301 9.329 2.798 671 2HB ASN 103 2HB ASN 103 8.453 9.416 4.138 672 1HD2 ASN 103 1HD2 ASN 103 7.809 7.307 2.151 673 2HD2 ASN 103 2HD2 ASN 103 7.456 5.872 3.055 674 H GLY 104 H GLY 104 5.656 10.415 2.246 675 1HA GLY 104 1HA GLY 104 2.828 9.993 2.764 676 2HA GLY 104 2HA GLY 104 3.573 10.590 1.296 677 HA PRO 105 HA PRO 105 2.473 6.222 0.601 678 1HB PRO 105 1HB PRO 105 0.788 6.586 -1.518 679 2HB PRO 105 2HB PRO 105 0.225 6.430 0.145 680 1HG PRO 105 1HG PRO 105 0.485 8.829 -1.552 681 2HG PRO 105 2HG PRO 105 -0.517 8.602 -0.074 682 1HD PRO 105 1HD PRO 105 1.948 10.033 -0.354 683 2HD PRO 105 2HD PRO 105 1.084 9.706 1.154 684 H GLU 106 H GLU 106 2.187 5.233 -1.956 685 HA GLU 106 HA GLU 106 4.665 6.239 -3.124 686 1HB GLU 106 1HB GLU 106 5.137 4.086 -2.161 687 2HB GLU 106 2HB GLU 106 3.681 3.368 -2.871 688 1HG GLU 106 1HG GLU 106 5.884 2.848 -4.055 689 2HG GLU 106 2HG GLU 106 4.600 3.492 -5.092 690 HE2 GLU 106 HE2 GLU 106 7.010 5.749 -6.104 691 H GLY 107 H GLY 107 1.430 4.752 -3.630 692 1HA GLY 107 1HA GLY 107 -0.032 5.428 -5.306 693 2HA GLY 107 2HA GLY 107 1.303 6.060 -6.246 694 H VAL 108 H VAL 108 1.623 2.877 -4.726 695 HA VAL 108 HA VAL 108 1.938 1.689 -7.317 696 HB VAL 108 HB VAL 108 2.092 0.633 -4.490 697 1HG1 VAL 108 1HG1 VAL 108 2.809 -1.456 -5.284 698 2HG1 VAL 108 2HG1 VAL 108 1.413 -1.059 -6.316 699 3HG1 VAL 108 3HG1 VAL 108 3.069 -0.845 -6.936 700 1HG2 VAL 108 1HG2 VAL 108 4.577 0.432 -5.765 701 2HG2 VAL 108 2HG2 VAL 108 3.944 2.025 -6.245 702 3HG2 VAL 108 3HG2 VAL 108 4.101 1.611 -4.520 703 H ALA 109 H ALA 109 -0.220 2.048 -8.194 704 HA ALA 109 HA ALA 109 -2.472 0.921 -6.865 705 1HB ALA 109 1HB ALA 109 -3.080 2.666 -8.250 706 2HB ALA 109 2HB ALA 109 -1.866 2.253 -9.484 707 3HB ALA 109 3HB ALA 109 -3.363 1.298 -9.354 708 H ILE 110 H ILE 110 -2.686 -1.245 -6.580 709 HA ILE 110 HA ILE 110 -1.655 -2.973 -8.709 710 HB ILE 110 HB ILE 110 -2.109 -3.326 -5.767 711 1HG1 ILE 110 1HG1 ILE 110 0.269 -4.518 -6.807 712 2HG1 ILE 110 2HG1 ILE 110 0.138 -2.872 -7.449 713 1HG2 ILE 110 1HG2 ILE 110 -3.152 -5.280 -6.459 714 2HG2 ILE 110 2HG2 ILE 110 -2.096 -5.465 -7.880 715 3HG2 ILE 110 3HG2 ILE 110 -1.458 -5.786 -6.250 716 1HD1 ILE 110 1HD1 ILE 110 -0.269 -2.056 -5.098 717 2HD1 ILE 110 2HD1 ILE 110 0.019 -3.714 -4.518 718 3HD1 ILE 110 3HD1 ILE 110 1.328 -2.810 -5.315 719 H SER 111 H SER 111 -3.018 -4.174 -9.961 720 HA SER 111 HA SER 111 -5.808 -3.662 -9.580 721 1HB SER 111 1HB SER 111 -4.167 -4.036 -11.788 722 2HB SER 111 2HB SER 111 -5.067 -5.561 -11.714 723 HG SER 111 HG SER 111 -6.309 -4.158 -12.950 724 H PHE 112 H PHE 112 -6.859 -4.916 -8.069 725 HA PHE 112 HA PHE 112 -5.921 -7.570 -7.517 726 1HB PHE 112 1HB PHE 112 -8.447 -6.051 -6.655 727 2HB PHE 112 2HB PHE 112 -7.740 -7.432 -5.810 728 HD1 PHE 112 1HD PHE 112 -5.929 -7.129 -4.289 729 HD2 PHE 112 2HD PHE 112 -7.307 -3.861 -6.618 730 HE1 PHE 112 1HE PHE 112 -4.584 -5.553 -2.872 731 HE2 PHE 112 2HE PHE 112 -5.962 -2.285 -5.202 732 HZ PHE 112 HZ PHE 112 -4.618 -3.149 -3.345 733 H ASN 113 H ASN 113 -6.631 -9.438 -8.439 734 HA ASN 113 HA ASN 113 -7.660 -10.684 -9.919 735 1HB ASN 113 1HB ASN 113 -9.414 -10.022 -7.764 736 2HB ASN 113 2HB ASN 113 -10.423 -10.058 -9.219 737 1HD2 ASN 113 1HD2 ASN 113 -10.980 -11.939 -10.093 738 2HD2 ASN 113 2HD2 ASN 113 -10.443 -13.503 -9.578 Start of MODEL 14 1 H ALA 1 H ALA 1 17.075 8.011 -10.354 2 HA ALA 1 HA ALA 1 15.421 6.145 -9.104 3 1HB ALA 1 1HB ALA 1 18.034 6.731 -8.998 4 2HB ALA 1 2HB ALA 1 17.514 7.625 -7.549 5 3HB ALA 1 3HB ALA 1 17.208 5.875 -7.672 6 H ALA 2 H ALA 2 13.710 6.353 -7.742 7 HA ALA 2 HA ALA 2 13.447 8.888 -6.299 8 1HB ALA 2 1HB ALA 2 11.969 8.283 -8.571 9 2HB ALA 2 2HB ALA 2 10.902 7.757 -7.247 10 3HB ALA 2 3HB ALA 2 11.495 9.434 -7.298 11 HA PRO 3 HA PRO 3 12.580 6.148 -3.061 12 1HB PRO 3 1HB PRO 3 11.502 7.878 -1.242 13 2HB PRO 3 2HB PRO 3 13.238 7.695 -1.487 14 1HG PRO 3 1HG PRO 3 11.410 9.829 -2.386 15 2HG PRO 3 2HG PRO 3 13.202 9.883 -2.215 16 1HD PRO 3 1HD PRO 3 11.647 9.674 -4.611 17 2HD PRO 3 2HD PRO 3 13.407 9.563 -4.483 18 H THR 4 H THR 4 11.163 4.538 -3.250 19 HA THR 4 HA THR 4 8.544 4.884 -2.395 20 HB THR 4 HB THR 4 7.772 4.421 -5.024 21 HG1 THR 4 1HG THR 4 9.370 5.348 -6.240 22 1HG2 THR 4 1HG2 THR 4 7.908 7.290 -4.635 23 2HG2 THR 4 2HG2 THR 4 6.479 6.235 -4.528 24 3HG2 THR 4 3HG2 THR 4 7.478 6.529 -3.084 25 H ALA 5 H ALA 5 7.380 2.914 -2.326 26 HA ALA 5 HA ALA 5 9.119 0.629 -2.900 27 1HB ALA 5 1HB ALA 5 7.230 -0.422 -1.336 28 2HB ALA 5 2HB ALA 5 8.596 0.491 -0.653 29 3HB ALA 5 3HB ALA 5 7.014 1.279 -0.860 30 H THR 6 H THR 6 8.135 -1.330 -3.826 31 HA THR 6 HA THR 6 5.540 -1.026 -5.063 32 HB THR 6 HB THR 6 6.329 -1.089 -7.333 33 HG1 THR 6 1HG THR 6 8.526 -1.714 -7.715 34 1HG2 THR 6 1HG2 THR 6 8.374 0.616 -5.813 35 2HG2 THR 6 2HG2 THR 6 7.988 0.750 -7.547 36 3HG2 THR 6 3HG2 THR 6 6.764 1.177 -6.325 37 H VAL 7 H VAL 7 4.782 -3.045 -6.064 38 HA VAL 7 HA VAL 7 5.984 -5.298 -4.641 39 HB VAL 7 HB VAL 7 3.333 -5.275 -6.059 40 1HG1 VAL 7 1HG1 VAL 7 4.760 -7.236 -4.686 41 2HG1 VAL 7 2HG1 VAL 7 3.545 -6.680 -3.510 42 3HG1 VAL 7 3HG1 VAL 7 3.030 -7.278 -5.106 43 1HG2 VAL 7 1HG2 VAL 7 2.333 -4.652 -3.815 44 2HG2 VAL 7 2HG2 VAL 7 3.968 -4.152 -3.317 45 3HG2 VAL 7 3HG2 VAL 7 3.166 -3.337 -4.681 46 H THR 8 H THR 8 6.885 -7.035 -5.705 47 HA THR 8 HA THR 8 8.047 -6.845 -8.095 48 HB THR 8 HB THR 8 7.087 -9.030 -6.330 49 HG1 THR 8 1HG THR 8 9.347 -9.580 -6.825 50 1HG2 THR 8 1HG2 THR 8 7.871 -9.637 -9.228 51 2HG2 THR 8 2HG2 THR 8 7.572 -10.829 -7.940 52 3HG2 THR 8 3HG2 THR 8 6.228 -9.851 -8.577 53 HA PRO 9 HA PRO 9 4.273 -8.292 -10.474 54 1HB PRO 9 1HB PRO 9 1.896 -8.745 -9.206 55 2HB PRO 9 2HB PRO 9 3.058 -10.022 -9.560 56 1HG PRO 9 1HG PRO 9 2.459 -8.656 -7.015 57 2HG PRO 9 2HG PRO 9 3.266 -10.244 -7.275 58 1HD PRO 9 1HD PRO 9 4.452 -7.741 -6.552 59 2HD PRO 9 2HD PRO 9 5.308 -9.236 -6.951 60 H SER 10 H SER 10 1.592 -7.531 -10.666 61 HA SER 10 HA SER 10 1.496 -4.828 -9.785 62 1HB SER 10 1HB SER 10 2.859 -5.115 -12.097 63 2HB SER 10 2HB SER 10 1.217 -5.049 -12.761 64 HG SER 10 HG SER 10 2.417 -2.948 -12.494 65 H SER 11 H SER 11 0.028 -7.499 -9.692 66 HA SER 11 HA SER 11 -2.528 -6.502 -9.774 67 1HB SER 11 1HB SER 11 -3.525 -7.575 -11.704 68 2HB SER 11 2HB SER 11 -2.185 -6.559 -12.264 69 HG SER 11 HG SER 11 -1.066 -8.316 -12.875 70 H GLY 12 H GLY 12 -1.907 -7.660 -7.690 71 1HA GLY 12 1HA GLY 12 -1.347 -10.326 -7.418 72 2HA GLY 12 2HA GLY 12 -2.288 -9.377 -6.284 73 H LEU 13 H LEU 13 -4.364 -8.791 -8.484 74 HA LEU 13 HA LEU 13 -6.406 -9.592 -8.861 75 1HB LEU 13 1HB LEU 13 -4.907 -12.004 -9.858 76 2HB LEU 13 2HB LEU 13 -6.485 -11.411 -10.405 77 HG LEU 13 HG LEU 13 -4.361 -9.424 -10.697 78 1HD1 LEU 13 1HD1 LEU 13 -3.075 -11.582 -10.989 79 2HD1 LEU 13 2HD1 LEU 13 -4.087 -11.893 -12.419 80 3HD1 LEU 13 3HD1 LEU 13 -3.037 -10.456 -12.367 81 1HD2 LEU 13 1HD2 LEU 13 -5.280 -9.426 -13.053 82 2HD2 LEU 13 2HD2 LEU 13 -6.435 -10.666 -12.511 83 3HD2 LEU 13 3HD2 LEU 13 -6.445 -9.053 -11.760 84 H SER 14 H SER 14 -5.037 -10.305 -6.195 85 HA SER 14 HA SER 14 -7.104 -12.156 -5.436 86 1HB SER 14 1HB SER 14 -4.495 -13.082 -5.883 87 2HB SER 14 2HB SER 14 -4.590 -12.899 -4.123 88 HG SER 14 HG SER 14 -6.095 -14.475 -4.006 89 H ASP 15 H ASP 15 -8.057 -11.347 -3.599 90 HA ASP 15 HA ASP 15 -7.146 -9.048 -2.418 91 1HB ASP 15 1HB ASP 15 -9.468 -9.805 -2.266 92 2HB ASP 15 2HB ASP 15 -8.984 -11.237 -1.343 93 HD2 ASP 15 HD2 ASP 15 -8.536 -7.904 0.751 94 H GLY 16 H GLY 16 -5.061 -9.044 -1.480 95 1HA GLY 16 1HA GLY 16 -3.836 -9.329 0.498 96 2HA GLY 16 2HA GLY 16 -4.665 -10.842 0.810 97 H THR 17 H THR 17 -3.379 -9.946 -2.410 98 HA THR 17 HA THR 17 -1.963 -12.369 -2.644 99 HB THR 17 HB THR 17 -2.326 -9.802 -4.186 100 HG1 THR 17 1HG THR 17 -2.341 -12.694 -4.704 101 1HG2 THR 17 1HG2 THR 17 0.105 -11.496 -4.309 102 2HG2 THR 17 2HG2 THR 17 -0.782 -11.437 -5.851 103 3HG2 THR 17 3HG2 THR 17 -0.217 -9.930 -5.093 104 H VAL 18 H VAL 18 -0.642 -12.598 -0.782 105 HA VAL 18 HA VAL 18 1.314 -10.624 -0.182 106 HB VAL 18 HB VAL 18 1.296 -13.522 0.650 107 1HG1 VAL 18 1HG1 VAL 18 2.959 -12.938 2.016 108 2HG1 VAL 18 2HG1 VAL 18 2.976 -11.327 1.259 109 3HG1 VAL 18 3HG1 VAL 18 1.981 -11.620 2.705 110 1HG2 VAL 18 1HG2 VAL 18 0.029 -12.290 2.702 111 2HG2 VAL 18 2HG2 VAL 18 -0.602 -11.344 1.332 112 3HG2 VAL 18 3HG2 VAL 18 -0.816 -13.111 1.367 113 H VAL 19 H VAL 19 2.710 -10.142 -1.853 114 HA VAL 19 HA VAL 19 4.268 -12.425 -2.851 115 HB VAL 19 HB VAL 19 4.436 -11.252 -4.994 116 1HG1 VAL 19 1HG1 VAL 19 2.801 -12.792 -5.297 117 2HG1 VAL 19 2HG1 VAL 19 1.877 -12.253 -3.874 118 3HG1 VAL 19 3HG1 VAL 19 1.757 -11.355 -5.406 119 1HG2 VAL 19 1HG2 VAL 19 3.152 -9.107 -3.489 120 2HG2 VAL 19 2HG2 VAL 19 4.039 -9.049 -5.032 121 3HG2 VAL 19 3HG2 VAL 19 2.306 -9.456 -5.015 122 H LYS 20 H LYS 20 6.407 -11.422 -3.944 123 HA LYS 20 HA LYS 20 7.802 -10.244 -1.803 124 1HB LYS 20 1HB LYS 20 8.367 -11.405 -4.392 125 2HB LYS 20 2HB LYS 20 9.354 -9.957 -4.119 126 1HG LYS 20 1HG LYS 20 9.865 -10.951 -1.797 127 2HG LYS 20 2HG LYS 20 9.159 -12.462 -2.396 128 1HD LYS 20 1HD LYS 20 10.800 -12.246 -4.370 129 2HD LYS 20 2HD LYS 20 11.617 -10.987 -3.426 130 1HE LYS 20 1HE LYS 20 11.979 -12.596 -1.588 131 2HE LYS 20 2HE LYS 20 11.112 -13.852 -2.485 132 1HZ LYS 20 1HZ LYS 20 12.998 -14.306 -3.489 133 2HZ LYS 20 2HZ LYS 20 13.081 -12.803 -4.122 134 3HZ LYS 20 3HZ LYS 20 13.780 -13.122 -2.681 135 H VAL 21 H VAL 21 8.757 -8.141 -1.624 136 HA VAL 21 HA VAL 21 7.827 -6.149 -3.522 137 HB VAL 21 HB VAL 21 7.143 -6.178 -0.581 138 1HG1 VAL 21 1HG1 VAL 21 8.089 -3.956 -1.500 139 2HG1 VAL 21 2HG1 VAL 21 6.575 -3.860 -2.430 140 3HG1 VAL 21 3HG1 VAL 21 6.525 -3.917 -0.652 141 1HG2 VAL 21 1HG2 VAL 21 5.321 -7.170 -1.501 142 2HG2 VAL 21 2HG2 VAL 21 4.870 -5.490 -1.876 143 3HG2 VAL 21 3HG2 VAL 21 5.638 -6.504 -3.120 144 H ALA 22 H ALA 22 9.209 -4.338 -3.641 145 HA ALA 22 HA ALA 22 11.372 -4.182 -1.713 146 1HB ALA 22 1HB ALA 22 11.869 -5.771 -3.791 147 2HB ALA 22 2HB ALA 22 12.143 -4.219 -4.618 148 3HB ALA 22 3HB ALA 22 13.103 -4.644 -3.180 149 H GLY 23 H GLY 23 12.542 -2.109 -1.885 150 1HA GLY 23 1HA GLY 23 12.785 0.034 -2.817 151 2HA GLY 23 2HA GLY 23 11.211 -0.105 -3.575 152 H ALA 24 H ALA 24 11.530 2.210 -2.280 153 HA ALA 24 HA ALA 24 9.515 2.637 -0.681 154 1HB ALA 24 1HB ALA 24 10.717 2.425 1.696 155 2HB ALA 24 2HB ALA 24 9.812 1.067 0.984 156 3HB ALA 24 3HB ALA 24 11.588 1.114 0.864 157 H GLY 25 H GLY 25 10.599 4.166 1.518 158 1HA GLY 25 1HA GLY 25 11.357 6.505 0.182 159 2HA GLY 25 2HA GLY 25 11.464 6.203 1.905 160 H LEU 26 H LEU 26 13.174 3.668 0.646 161 HA LEU 26 HA LEU 26 15.337 3.185 0.686 162 1HB LEU 26 1HB LEU 26 15.265 3.893 -1.533 163 2HB LEU 26 2HB LEU 26 15.261 5.610 -1.091 164 HG LEU 26 HG LEU 26 17.650 4.590 -0.043 165 1HD1 LEU 26 1HD1 LEU 26 17.150 3.470 -2.814 166 2HD1 LEU 26 2HD1 LEU 26 18.738 3.556 -2.015 167 3HD1 LEU 26 3HD1 LEU 26 17.445 2.552 -1.317 168 1HD2 LEU 26 1HD2 LEU 26 18.696 5.975 -1.827 169 2HD2 LEU 26 2HD2 LEU 26 17.088 6.174 -2.564 170 3HD2 LEU 26 3HD2 LEU 26 17.405 6.810 -0.932 171 H GLN 27 H GLN 27 15.007 3.795 3.107 172 HA GLN 27 HA GLN 27 16.374 6.210 3.824 173 1HB GLN 27 1HB GLN 27 14.426 5.593 5.119 174 2HB GLN 27 2HB GLN 27 15.093 3.989 5.472 175 1HG GLN 27 1HG GLN 27 15.410 5.394 7.419 176 2HG GLN 27 2HG GLN 27 17.000 5.133 6.685 177 1HE2 GLN 27 1HE2 GLN 27 17.225 7.096 8.175 178 2HE2 GLN 27 2HE2 GLN 27 17.054 8.655 7.441 179 H ALA 28 H ALA 28 16.797 3.199 5.685 180 HA ALA 28 HA ALA 28 19.060 2.123 4.768 181 1HB ALA 28 1HB ALA 28 19.588 4.844 5.787 182 2HB ALA 28 2HB ALA 28 20.633 3.590 6.497 183 3HB ALA 28 3HB ALA 28 20.577 3.806 4.732 184 H GLY 29 H GLY 29 18.350 0.307 5.850 185 1HA GLY 29 1HA GLY 29 17.848 -1.060 7.567 186 2HA GLY 29 2HA GLY 29 19.126 -0.221 8.421 187 H THR 30 H THR 30 16.098 1.321 7.252 188 HA THR 30 HA THR 30 15.375 1.761 10.074 189 HB THR 30 HB THR 30 15.070 3.428 7.533 190 HG1 THR 30 1HG THR 30 16.798 4.320 8.586 191 1HG2 THR 30 1HG2 THR 30 14.009 4.121 10.315 192 2HG2 THR 30 2HG2 THR 30 13.796 5.048 8.810 193 3HG2 THR 30 3HG2 THR 30 12.957 3.492 9.024 194 H ALA 31 H ALA 31 13.141 1.684 10.681 195 HA ALA 31 HA ALA 31 11.815 -0.510 9.533 196 1HB ALA 31 1HB ALA 31 11.736 0.487 11.935 197 2HB ALA 31 2HB ALA 31 10.512 1.597 11.273 198 3HB ALA 31 3HB ALA 31 10.230 -0.161 11.242 199 H TYR 32 H TYR 32 9.802 -0.581 8.353 200 HA TYR 32 HA TYR 32 8.937 1.936 7.169 201 1HB TYR 32 1HB TYR 32 10.334 -0.432 5.917 202 2HB TYR 32 2HB TYR 32 8.958 0.200 5.007 203 HD1 TYR 32 1HD TYR 32 8.988 2.709 4.407 204 HD2 TYR 32 2HD TYR 32 12.442 0.578 5.759 205 HE1 TYR 32 1HE TYR 32 10.490 4.506 3.421 206 HE2 TYR 32 2HE TYR 32 13.934 2.382 4.768 207 HH TYR 32 HH TYR 32 13.274 4.259 2.575 208 H ASP 33 H ASP 33 7.117 1.436 8.669 209 HA ASP 33 HA ASP 33 5.679 -0.856 8.629 210 1HB ASP 33 1HB ASP 33 5.415 1.327 10.021 211 2HB ASP 33 2HB ASP 33 4.360 1.884 8.712 212 HD2 ASP 33 HD2 ASP 33 1.745 -0.079 9.799 213 H VAL 34 H VAL 34 4.495 -1.870 6.999 214 HA VAL 34 HA VAL 34 4.267 -0.744 4.451 215 HB VAL 34 HB VAL 34 2.846 -3.071 5.758 216 1HG1 VAL 34 1HG1 VAL 34 2.602 -3.854 3.343 217 2HG1 VAL 34 2HG1 VAL 34 1.545 -2.517 3.855 218 3HG1 VAL 34 3HG1 VAL 34 2.987 -2.182 2.867 219 1HG2 VAL 34 1HG2 VAL 34 5.560 -2.677 4.839 220 2HG2 VAL 34 2HG2 VAL 34 4.834 -4.078 5.661 221 3HG2 VAL 34 3HG2 VAL 34 4.761 -3.952 3.888 222 H GLY 35 H GLY 35 2.266 -0.207 3.258 223 1HA GLY 35 1HA GLY 35 -0.032 0.536 4.894 224 2HA GLY 35 2HA GLY 35 0.842 1.847 4.126 225 H GLN 36 H GLN 36 -1.947 0.714 3.663 226 HA GLN 36 HA GLN 36 -1.609 0.425 0.795 227 1HB GLN 36 1HB GLN 36 -3.024 -1.456 2.666 228 2HB GLN 36 2HB GLN 36 -3.695 -1.220 1.043 229 1HG GLN 36 1HG GLN 36 -0.938 -1.540 0.620 230 2HG GLN 36 2HG GLN 36 -1.306 -2.709 1.896 231 1HE2 GLN 36 1HE2 GLN 36 -3.200 -1.440 -0.836 232 2HE2 GLN 36 2HE2 GLN 36 -3.528 -2.958 -1.603 233 H CYS 37 H CYS 37 -2.798 1.967 -0.242 234 HA CYS 37 HA CYS 37 -5.237 2.863 1.107 235 1HB CYS 37 1HB CYS 37 -3.400 4.686 -0.425 236 2HB CYS 37 2HB CYS 37 -4.809 5.133 0.553 237 H ALA 38 H ALA 38 -6.523 4.284 -0.712 238 HA ALA 38 HA ALA 38 -6.185 3.022 -3.323 239 1HB ALA 38 1HB ALA 38 -8.467 2.682 -1.423 240 2HB ALA 38 2HB ALA 38 -8.874 2.934 -3.137 241 3HB ALA 38 3HB ALA 38 -7.835 1.571 -2.660 242 H TRP 39 H TRP 39 -6.573 4.434 -5.006 243 HA TRP 39 HA TRP 39 -7.378 7.130 -4.191 244 1HB TRP 39 1HB TRP 39 -5.327 7.341 -5.167 245 2HB TRP 39 2HB TRP 39 -5.594 6.028 -6.314 246 HD1 TRP 39 HD TRP 39 -7.927 6.886 -8.068 247 HE1 TRP 39 1HE TRP 39 -8.038 9.074 -9.539 248 HE3 TRP 39 3HE TRP 39 -4.417 9.462 -5.440 249 HZ2 TRP 39 2HZ TRP 39 -6.677 11.580 -9.440 250 HZ3 TRP 39 3HZ TRP 39 -3.867 11.773 -6.194 251 HH2 TRP 39 HH TRP 39 -4.934 12.836 -8.120 252 H VAL 40 H VAL 40 -9.359 7.895 -4.833 253 HA VAL 40 HA VAL 40 -10.772 6.288 -6.849 254 HB VAL 40 HB VAL 40 -11.802 7.889 -4.501 255 1HG1 VAL 40 1HG1 VAL 40 -13.878 6.323 -5.577 256 2HG1 VAL 40 2HG1 VAL 40 -13.726 8.097 -5.615 257 3HG1 VAL 40 3HG1 VAL 40 -13.109 7.121 -6.970 258 1HG2 VAL 40 1HG2 VAL 40 -11.892 5.979 -3.330 259 2HG2 VAL 40 2HG2 VAL 40 -12.559 5.068 -4.707 260 3HG2 VAL 40 3HG2 VAL 40 -10.801 5.305 -4.565 261 H ASP 41 H ASP 41 -9.582 9.457 -5.841 262 HA ASP 41 HA ASP 41 -10.126 10.428 -8.454 263 1HB ASP 41 1HB ASP 41 -12.052 10.922 -6.455 264 2HB ASP 41 2HB ASP 41 -11.116 12.424 -6.545 265 HD2 ASP 41 HD2 ASP 41 -13.920 12.140 -9.030 266 H THR 42 H THR 42 -9.761 13.241 -7.814 267 HA THR 42 HA THR 42 -6.964 13.207 -7.142 268 HB THR 42 HB THR 42 -9.004 15.110 -8.277 269 HG1 THR 42 1HG THR 42 -7.245 15.162 -9.814 270 1HG2 THR 42 1HG2 THR 42 -7.988 16.602 -6.621 271 2HG2 THR 42 2HG2 THR 42 -6.371 15.935 -6.951 272 3HG2 THR 42 3HG2 THR 42 -7.197 16.916 -8.185 273 H GLY 43 H GLY 43 -10.002 13.764 -5.477 274 1HA GLY 43 1HA GLY 43 -8.457 14.721 -3.139 275 2HA GLY 43 2HA GLY 43 -10.068 15.285 -3.537 276 H VAL 44 H VAL 44 -9.635 11.965 -4.375 277 HA VAL 44 HA VAL 44 -10.890 11.169 -1.838 278 HB VAL 44 HB VAL 44 -11.361 9.819 -4.483 279 1HG1 VAL 44 1HG1 VAL 44 -13.217 8.831 -3.446 280 2HG1 VAL 44 2HG1 VAL 44 -11.967 8.816 -2.179 281 3HG1 VAL 44 3HG1 VAL 44 -13.256 10.043 -2.143 282 1HG2 VAL 44 1HG2 VAL 44 -11.912 12.241 -4.720 283 2HG2 VAL 44 2HG2 VAL 44 -13.329 11.172 -4.862 284 3HG2 VAL 44 3HG2 VAL 44 -13.046 12.079 -3.357 285 H LEU 45 H LEU 45 -9.249 10.245 -0.683 286 HA LEU 45 HA LEU 45 -7.876 8.031 -2.001 287 1HB LEU 45 1HB LEU 45 -6.532 10.199 -2.010 288 2HB LEU 45 2HB LEU 45 -6.377 9.969 -0.259 289 HG LEU 45 HG LEU 45 -4.402 9.162 -1.388 290 1HD1 LEU 45 1HD1 LEU 45 -5.468 7.910 0.599 291 2HD1 LEU 45 2HD1 LEU 45 -5.876 6.658 -0.598 292 3HD1 LEU 45 3HD1 LEU 45 -4.175 7.104 -0.323 293 1HD2 LEU 45 1HD2 LEU 45 -4.325 7.840 -3.233 294 2HD2 LEU 45 2HD2 LEU 45 -5.818 6.965 -2.814 295 3HD2 LEU 45 3HD2 LEU 45 -5.911 8.598 -3.517 296 H ALA 46 H ALA 46 -8.969 6.431 -0.899 297 HA ALA 46 HA ALA 46 -9.311 6.728 1.965 298 1HB ALA 46 1HB ALA 46 -10.056 4.199 0.594 299 2HB ALA 46 2HB ALA 46 -10.995 5.214 1.716 300 3HB ALA 46 3HB ALA 46 -10.875 5.663 -0.002 301 H CYS 47 H CYS 47 -7.520 6.335 3.183 302 HA CYS 47 HA CYS 47 -5.572 4.448 2.232 303 1HB CYS 47 1HB CYS 47 -5.705 6.583 4.215 304 2HB CYS 47 2HB CYS 47 -4.796 5.167 4.771 305 H ASN 48 H ASN 48 -4.853 2.603 3.647 306 HA ASN 48 HA ASN 48 -7.150 1.569 5.111 307 1HB ASN 48 1HB ASN 48 -6.237 0.342 3.014 308 2HB ASN 48 2HB ASN 48 -4.830 -0.079 4.003 309 1HD2 ASN 48 1HD2 ASN 48 -5.263 -2.257 3.909 310 2HD2 ASN 48 2HD2 ASN 48 -6.559 -3.016 4.773 311 HA PRO 49 HA PRO 49 -3.976 2.162 8.263 312 1HB PRO 49 1HB PRO 49 -5.678 2.747 10.319 313 2HB PRO 49 2HB PRO 49 -4.978 3.976 9.266 314 1HG PRO 49 1HG PRO 49 -7.699 2.836 9.302 315 2HG PRO 49 2HG PRO 49 -7.140 4.386 8.576 316 1HD PRO 49 1HD PRO 49 -7.803 1.936 7.249 317 2HD PRO 49 2HD PRO 49 -7.106 3.384 6.508 318 H ALA 50 H ALA 50 -4.811 -0.346 7.297 319 HA ALA 50 HA ALA 50 -4.753 -1.755 9.866 320 1HB ALA 50 1HB ALA 50 -6.230 -3.152 7.745 321 2HB ALA 50 2HB ALA 50 -6.669 -2.874 9.447 322 3HB ALA 50 3HB ALA 50 -6.997 -1.620 8.228 323 H ASP 51 H ASP 51 -3.128 -0.924 7.138 324 HA ASP 51 HA ASP 51 -2.362 -3.095 5.814 325 1HB ASP 51 1HB ASP 51 0.031 -1.982 5.929 326 2HB ASP 51 2HB ASP 51 -1.299 -1.129 5.129 327 HD2 ASP 51 HD2 ASP 51 -1.103 1.486 7.329 328 H PHE 52 H PHE 52 -1.013 -1.904 8.979 329 HA PHE 52 HA PHE 52 0.037 -2.924 10.627 330 1HB PHE 52 1HB PHE 52 -1.054 -5.393 9.159 331 2HB PHE 52 2HB PHE 52 -0.324 -5.475 10.766 332 HD1 PHE 52 1HD PHE 52 -1.530 -2.950 11.902 333 HD2 PHE 52 2HD PHE 52 -3.235 -6.105 9.632 334 HE1 PHE 52 1HE PHE 52 -3.772 -2.475 12.926 335 HE2 PHE 52 2HE PHE 52 -5.477 -5.630 10.657 336 HZ PHE 52 HZ PHE 52 -5.718 -3.821 12.292 337 H SER 53 H SER 53 0.467 -5.027 7.685 338 HA SER 53 HA SER 53 2.752 -6.168 8.071 339 1HB SER 53 1HB SER 53 1.703 -4.700 5.672 340 2HB SER 53 2HB SER 53 3.346 -5.363 5.584 341 HG SER 53 HG SER 53 0.882 -6.789 6.114 342 H SER 54 H SER 54 5.048 -5.724 7.977 343 HA SER 54 HA SER 54 5.777 -2.936 7.826 344 1HB SER 54 1HB SER 54 7.263 -3.343 9.919 345 2HB SER 54 2HB SER 54 5.537 -3.027 10.172 346 HG SER 54 HG SER 54 5.358 -4.953 11.077 347 H VAL 55 H VAL 55 7.933 -2.631 7.069 348 HA VAL 55 HA VAL 55 9.440 -5.104 6.598 349 HB VAL 55 HB VAL 55 8.132 -4.184 4.602 350 1HG1 VAL 55 1HG1 VAL 55 8.906 -2.276 3.458 351 2HG1 VAL 55 2HG1 VAL 55 8.829 -1.776 5.164 352 3HG1 VAL 55 3HG1 VAL 55 10.396 -2.189 4.426 353 1HG2 VAL 55 1HG2 VAL 55 10.518 -5.546 4.807 354 2HG2 VAL 55 2HG2 VAL 55 9.590 -5.302 3.307 355 3HG2 VAL 55 3HG2 VAL 55 10.934 -4.207 3.711 356 H THR 56 H THR 56 11.784 -4.228 5.671 357 HA THR 56 HA THR 56 12.597 -1.996 7.393 358 HB THR 56 HB THR 56 13.465 -4.886 7.465 359 HG1 THR 56 1HG THR 56 12.275 -3.999 9.225 360 1HG2 THR 56 1HG2 THR 56 15.601 -4.191 8.565 361 2HG2 THR 56 2HG2 THR 56 15.580 -3.696 6.855 362 3HG2 THR 56 3HG2 THR 56 15.265 -2.496 8.132 363 H ALA 57 H ALA 57 14.555 -0.921 6.733 364 HA ALA 57 HA ALA 57 14.788 -0.966 3.855 365 1HB ALA 57 1HB ALA 57 14.877 0.992 5.825 366 2HB ALA 57 2HB ALA 57 16.588 0.799 5.370 367 3HB ALA 57 3HB ALA 57 15.377 1.199 4.128 368 H ASP 58 H ASP 58 16.709 -1.426 2.686 369 HA ASP 58 HA ASP 58 18.573 -3.024 4.248 370 1HB ASP 58 1HB ASP 58 19.214 -3.883 1.890 371 2HB ASP 58 2HB ASP 58 17.655 -4.400 2.548 372 HD2 ASP 58 HD2 ASP 58 16.556 -3.471 -0.596 373 H ALA 59 H ALA 59 20.610 -2.098 4.532 374 HA ALA 59 HA ALA 59 22.134 -0.442 4.420 375 1HB ALA 59 1HB ALA 59 23.159 -2.131 3.088 376 2HB ALA 59 2HB ALA 59 22.118 -1.769 1.690 377 3HB ALA 59 3HB ALA 59 23.379 -0.614 2.182 378 H ASN 60 H ASN 60 21.347 -0.038 0.963 379 HA ASN 60 HA ASN 60 21.450 2.606 0.898 380 1HB ASN 60 1HB ASN 60 20.462 0.544 -0.784 381 2HB ASN 60 2HB ASN 60 19.158 1.739 -0.718 382 1HD2 ASN 60 1HD2 ASN 60 21.325 0.835 -2.708 383 2HD2 ASN 60 2HD2 ASN 60 22.006 2.308 -3.312 384 H GLY 61 H GLY 61 18.586 0.556 1.747 385 1HA GLY 61 1HA GLY 61 17.255 1.501 3.617 386 2HA GLY 61 2HA GLY 61 17.196 2.991 2.697 387 H SER 62 H SER 62 17.222 0.366 0.521 388 HA SER 62 HA SER 62 14.515 0.862 -0.141 389 1HB SER 62 1HB SER 62 15.712 0.441 -2.052 390 2HB SER 62 2HB SER 62 16.793 -0.723 -1.265 391 HG SER 62 HG SER 62 15.468 -2.336 -1.796 392 H ALA 63 H ALA 63 12.697 -0.380 0.337 393 HA ALA 63 HA ALA 63 12.908 -2.270 2.423 394 1HB ALA 63 1HB ALA 63 10.967 -0.643 1.588 395 2HB ALA 63 2HB ALA 63 10.482 -2.084 0.662 396 3HB ALA 63 3HB ALA 63 10.599 -2.163 2.436 397 H SER 64 H SER 64 12.193 -4.559 2.322 398 HA SER 64 HA SER 64 12.098 -5.793 -0.221 399 1HB SER 64 1HB SER 64 14.103 -7.290 0.233 400 2HB SER 64 2HB SER 64 14.492 -5.617 -0.204 401 HG SER 64 HG SER 64 14.430 -6.744 2.466 402 H THR 65 H THR 65 10.280 -6.984 0.315 403 HA THR 65 HA THR 65 10.459 -9.250 1.880 404 HB THR 65 HB THR 65 10.482 -7.061 3.564 405 HG1 THR 65 1HG THR 65 10.422 -8.843 4.894 406 1HG2 THR 65 1HG2 THR 65 8.326 -6.697 4.500 407 2HG2 THR 65 2HG2 THR 65 7.987 -6.694 2.753 408 3HG2 THR 65 3HG2 THR 65 7.646 -8.147 3.724 409 H SER 66 H SER 66 8.101 -10.063 2.484 410 HA SER 66 HA SER 66 6.650 -9.660 0.036 411 1HB SER 66 1HB SER 66 5.987 -11.535 2.334 412 2HB SER 66 2HB SER 66 5.406 -11.646 0.663 413 HG SER 66 HG SER 66 8.219 -11.664 1.083 414 H LEU 67 H LEU 67 4.772 -8.458 -0.134 415 HA LEU 67 HA LEU 67 3.605 -7.536 2.399 416 1HB LEU 67 1HB LEU 67 4.449 -6.144 -0.026 417 2HB LEU 67 2HB LEU 67 2.812 -5.725 0.502 418 HG LEU 67 HG LEU 67 3.828 -5.265 2.792 419 1HD1 LEU 67 1HD1 LEU 67 6.014 -5.459 3.203 420 2HD1 LEU 67 2HD1 LEU 67 6.076 -6.448 1.723 421 3HD1 LEU 67 3HD1 LEU 67 6.468 -4.712 1.652 422 1HD2 LEU 67 1HD2 LEU 67 4.635 -3.546 0.430 423 2HD2 LEU 67 2HD2 LEU 67 3.105 -3.473 1.337 424 3HD2 LEU 67 3HD2 LEU 67 4.633 -3.022 2.131 425 H THR 68 H THR 68 1.343 -7.583 2.626 426 HA THR 68 HA THR 68 0.053 -9.482 0.860 427 HB THR 68 HB THR 68 -0.111 -9.622 3.363 428 HG1 THR 68 1HG THR 68 -2.510 -8.786 1.888 429 1HG2 THR 68 1HG2 THR 68 -0.253 -6.978 3.564 430 2HG2 THR 68 2HG2 THR 68 -1.981 -7.233 3.223 431 3HG2 THR 68 3HG2 THR 68 -1.237 -7.981 4.656 432 H VAL 69 H VAL 69 -0.400 -8.598 -1.112 433 HA VAL 69 HA VAL 69 -1.342 -5.942 -1.369 434 HB VAL 69 HB VAL 69 -1.540 -8.249 -3.312 435 1HG1 VAL 69 1HG1 VAL 69 -2.656 -6.696 -4.501 436 2HG1 VAL 69 2HG1 VAL 69 -2.104 -5.361 -3.461 437 3HG1 VAL 69 3HG1 VAL 69 -1.051 -5.969 -4.763 438 1HG2 VAL 69 1HG2 VAL 69 0.736 -6.264 -3.022 439 2HG2 VAL 69 2HG2 VAL 69 0.769 -7.929 -2.399 440 3HG2 VAL 69 3HG2 VAL 69 0.634 -7.637 -4.149 441 H ARG 70 H ARG 70 -2.980 -6.352 0.506 442 HA ARG 70 HA ARG 70 -5.177 -7.934 0.102 443 1HB ARG 70 1HB ARG 70 -6.311 -6.271 1.705 444 2HB ARG 70 2HB ARG 70 -4.800 -6.993 2.288 445 1HG ARG 70 1HG ARG 70 -4.074 -4.669 0.818 446 2HG ARG 70 2HG ARG 70 -5.449 -4.195 1.833 447 1HD ARG 70 1HD ARG 70 -3.912 -3.945 3.485 448 2HD ARG 70 2HD ARG 70 -3.891 -5.713 3.576 449 HE ARG 70 HE ARG 70 -2.121 -4.864 1.493 450 1HH1 ARG 70 1HH1 ARG 70 -2.371 -4.821 5.002 451 2HH1 ARG 70 2HH1 ARG 70 -0.658 -4.806 5.252 452 1HH2 ARG 70 1HH2 ARG 70 0.140 -4.843 1.822 453 2HH2 ARG 70 2HH2 ARG 70 0.781 -4.818 3.431 454 H ARG 71 H ARG 71 -7.102 -7.699 -1.067 455 HA ARG 71 HA ARG 71 -7.156 -5.448 -2.849 456 1HB ARG 71 1HB ARG 71 -7.529 -7.639 -3.834 457 2HB ARG 71 2HB ARG 71 -8.821 -8.005 -2.678 458 1HG ARG 71 1HG ARG 71 -10.058 -5.976 -3.634 459 2HG ARG 71 2HG ARG 71 -8.845 -5.948 -4.928 460 1HD ARG 71 1HD ARG 71 -9.900 -7.626 -6.014 461 2HD ARG 71 2HD ARG 71 -9.881 -8.652 -4.572 462 HE ARG 71 HE ARG 71 -11.918 -6.498 -4.671 463 1HH1 ARG 71 1HH1 ARG 71 -11.174 -9.915 -5.052 464 2HH1 ARG 71 2HH1 ARG 71 -12.827 -10.420 -4.932 465 1HH2 ARG 71 1HH2 ARG 71 -14.099 -7.163 -4.512 466 2HH2 ARG 71 2HH2 ARG 71 -14.501 -8.843 -4.622 467 H SER 72 H SER 72 -9.799 -7.255 -1.116 468 HA SER 72 HA SER 72 -11.300 -4.854 -0.919 469 1HB SER 72 1HB SER 72 -12.387 -7.021 -1.315 470 2HB SER 72 2HB SER 72 -11.788 -7.636 0.236 471 HG SER 72 HG SER 72 -14.030 -6.879 0.293 472 H PHE 73 H PHE 73 -10.792 -3.320 0.604 473 HA PHE 73 HA PHE 73 -10.468 -4.218 3.339 474 1HB PHE 73 1HB PHE 73 -8.326 -3.115 3.578 475 2HB PHE 73 2HB PHE 73 -8.185 -4.032 2.073 476 HD1 PHE 73 1HD PHE 73 -8.920 -0.648 3.417 477 HD2 PHE 73 2HD PHE 73 -7.646 -2.935 0.077 478 HE1 PHE 73 1HE PHE 73 -8.309 1.463 2.203 479 HE2 PHE 73 2HE PHE 73 -7.035 -0.825 -1.136 480 HZ PHE 73 HZ PHE 73 -7.374 1.349 -0.058 481 H GLU 74 H GLU 74 -10.510 -2.312 4.888 482 HA GLU 74 HA GLU 74 -12.495 -0.495 3.932 483 1HB GLU 74 1HB GLU 74 -12.561 0.260 6.305 484 2HB GLU 74 2HB GLU 74 -12.762 -1.494 6.149 485 1HG GLU 74 1HG GLU 74 -10.003 -1.188 6.362 486 2HG GLU 74 2HG GLU 74 -10.615 0.062 7.455 487 HE2 GLU 74 HE2 GLU 74 -12.300 -2.494 9.354 488 H GLY 75 H GLY 75 -12.006 1.424 2.969 489 1HA GLY 75 1HA GLY 75 -9.348 2.583 3.483 490 2HA GLY 75 2HA GLY 75 -10.358 2.865 2.080 491 H PHE 76 H PHE 76 -9.121 4.778 4.087 492 HA PHE 76 HA PHE 76 -11.631 6.082 4.872 493 1HB PHE 76 1HB PHE 76 -8.926 5.697 6.234 494 2HB PHE 76 2HB PHE 76 -9.942 7.068 6.692 495 HD1 PHE 76 1HD PHE 76 -10.377 3.394 6.121 496 HD2 PHE 76 2HD PHE 76 -11.186 6.748 8.592 497 HE1 PHE 76 1HE PHE 76 -11.625 1.915 7.719 498 HE2 PHE 76 2HE PHE 76 -12.434 5.268 10.191 499 HZ PHE 76 HZ PHE 76 -12.639 2.870 9.736 500 H LEU 77 H LEU 77 -11.926 8.072 3.981 501 HA LEU 77 HA LEU 77 -10.404 9.142 2.052 502 1HB LEU 77 1HB LEU 77 -12.304 10.264 4.039 503 2HB LEU 77 2HB LEU 77 -11.384 11.400 3.035 504 HG LEU 77 HG LEU 77 -13.575 10.963 2.085 505 1HD1 LEU 77 1HD1 LEU 77 -11.501 9.579 0.368 506 2HD1 LEU 77 2HD1 LEU 77 -12.935 10.492 -0.162 507 3HD1 LEU 77 3HD1 LEU 77 -11.576 11.341 0.612 508 1HD2 LEU 77 1HD2 LEU 77 -14.362 8.824 1.415 509 2HD2 LEU 77 2HD2 LEU 77 -12.793 8.058 1.767 510 3HD2 LEU 77 3HD2 LEU 77 -13.805 8.668 3.100 511 H PHE 78 H PHE 78 -10.297 10.446 5.445 512 HA PHE 78 HA PHE 78 -7.788 10.228 6.128 513 1HB PHE 78 1HB PHE 78 -6.728 11.017 4.178 514 2HB PHE 78 2HB PHE 78 -8.086 12.063 3.746 515 HD1 PHE 78 1HD PHE 78 -8.176 14.336 4.519 516 HD2 PHE 78 2HD PHE 78 -5.032 11.774 5.770 517 HE1 PHE 78 1HE PHE 78 -6.906 16.318 5.389 518 HE2 PHE 78 2HE PHE 78 -3.762 13.757 6.640 519 HZ PHE 78 HZ PHE 78 -4.715 16.005 6.438 520 H ASP 79 H ASP 79 -10.583 12.278 5.705 521 HA ASP 79 HA ASP 79 -9.698 14.031 7.825 522 1HB ASP 79 1HB ASP 79 -11.442 14.250 5.556 523 2HB ASP 79 2HB ASP 79 -12.427 14.516 7.000 524 HD2 ASP 79 HD2 ASP 79 -11.391 17.763 6.932 525 H GLY 80 H GLY 80 -12.894 12.502 6.961 526 1HA GLY 80 1HA GLY 80 -13.014 11.085 9.487 527 2HA GLY 80 2HA GLY 80 -14.122 12.436 9.346 528 H THR 81 H THR 81 -13.147 10.726 6.407 529 HA THR 81 HA THR 81 -15.755 9.353 6.399 530 HB THR 81 HB THR 81 -14.375 10.519 3.943 531 HG1 THR 81 1HG THR 81 -16.272 11.634 5.888 532 1HG2 THR 81 1HG2 THR 81 -17.087 9.428 4.672 533 2HG2 THR 81 2HG2 THR 81 -17.052 10.846 3.596 534 3HG2 THR 81 3HG2 THR 81 -16.220 9.347 3.119 535 H ARG 82 H ARG 82 -15.857 7.417 5.016 536 HA ARG 82 HA ARG 82 -13.442 6.316 4.106 537 1HB ARG 82 1HB ARG 82 -13.596 4.281 5.707 538 2HB ARG 82 2HB ARG 82 -12.901 5.770 6.373 539 1HG ARG 82 1HG ARG 82 -14.490 5.798 7.966 540 2HG ARG 82 2HG ARG 82 -15.760 5.868 6.733 541 1HD ARG 82 1HD ARG 82 -15.520 3.330 6.525 542 2HD ARG 82 2HD ARG 82 -14.485 3.380 7.959 543 HE ARG 82 HE ARG 82 -17.014 4.764 8.368 544 1HH1 ARG 82 1HH1 ARG 82 -15.493 1.591 8.349 545 2HH1 ARG 82 2HH1 ARG 82 -16.658 0.886 9.420 546 1HH2 ARG 82 1HH2 ARG 82 -18.550 3.835 9.781 547 2HH2 ARG 82 2HH2 ARG 82 -18.408 2.171 10.240 548 H TRP 83 H TRP 83 -13.840 4.352 2.863 549 HA TRP 83 HA TRP 83 -16.617 4.076 2.126 550 1HB TRP 83 1HB TRP 83 -14.193 2.654 1.033 551 2HB TRP 83 2HB TRP 83 -15.797 2.743 0.303 552 HD1 TRP 83 HD TRP 83 -12.505 4.516 0.290 553 HE1 TRP 83 1HE TRP 83 -12.554 6.768 -1.084 554 HE3 TRP 83 3HE TRP 83 -17.566 4.767 -0.121 555 HZ2 TRP 83 2HZ TRP 83 -14.657 8.366 -2.165 556 HZ3 TRP 83 3HZ TRP 83 -18.537 6.706 -1.352 557 HH2 TRP 83 HH TRP 83 -17.170 8.465 -2.354 558 H GLY 84 H GLY 84 -13.905 2.061 3.453 559 1HA GLY 84 1HA GLY 84 -13.994 0.348 4.935 560 2HA GLY 84 2HA GLY 84 -15.727 0.560 5.083 561 H THR 85 H THR 85 -13.787 -1.846 4.544 562 HA THR 85 HA THR 85 -13.588 -3.560 3.058 563 HB THR 85 HB THR 85 -15.615 -3.804 4.732 564 HG1 THR 85 1HG THR 85 -15.205 -5.827 3.939 565 1HG2 THR 85 1HG2 THR 85 -16.999 -2.620 2.571 566 2HG2 THR 85 2HG2 THR 85 -17.328 -4.362 2.400 567 3HG2 THR 85 3HG2 THR 85 -17.738 -3.522 3.915 568 H VAL 86 H VAL 86 -13.320 -1.285 1.535 569 HA VAL 86 HA VAL 86 -15.203 -1.510 -0.653 570 HB VAL 86 HB VAL 86 -14.324 0.656 0.302 571 1HG1 VAL 86 1HG1 VAL 86 -11.978 0.912 -1.272 572 2HG1 VAL 86 2HG1 VAL 86 -12.124 0.952 0.502 573 3HG1 VAL 86 3HG1 VAL 86 -11.809 -0.590 -0.331 574 1HG2 VAL 86 1HG2 VAL 86 -14.399 1.766 -1.786 575 2HG2 VAL 86 2HG2 VAL 86 -13.734 0.361 -2.652 576 3HG2 VAL 86 3HG2 VAL 86 -15.388 0.302 -1.995 577 H ASP 87 H ASP 87 -14.618 -2.126 -2.803 578 HA ASP 87 HA ASP 87 -12.678 -4.180 -2.816 579 1HB ASP 87 1HB ASP 87 -13.773 -3.103 -5.384 580 2HB ASP 87 2HB ASP 87 -13.622 -4.784 -4.852 581 HD2 ASP 87 HD2 ASP 87 -17.128 -3.521 -4.883 582 H CYS 88 H CYS 88 -10.496 -3.575 -2.884 583 HA CYS 88 HA CYS 88 -9.479 -1.181 -3.585 584 1HB CYS 88 1HB CYS 88 -7.962 -2.521 -2.582 585 2HB CYS 88 2HB CYS 88 -8.386 -3.950 -3.541 586 H THR 89 H THR 89 -10.606 -3.845 -5.664 587 HA THR 89 HA THR 89 -9.376 -3.023 -8.053 588 HB THR 89 HB THR 89 -10.884 -4.649 -9.039 589 HG1 THR 89 1HG THR 89 -12.349 -4.326 -6.517 590 1HG2 THR 89 1HG2 THR 89 -9.691 -5.224 -6.421 591 2HG2 THR 89 2HG2 THR 89 -11.199 -6.143 -6.643 592 3HG2 THR 89 3HG2 THR 89 -9.876 -6.305 -7.823 593 H THR 90 H THR 90 -12.324 -1.956 -6.359 594 HA THR 90 HA THR 90 -13.491 -0.601 -8.512 595 HB THR 90 HB THR 90 -13.589 -0.355 -5.473 596 HG1 THR 90 1HG THR 90 -14.499 -2.147 -6.989 597 1HG2 THR 90 1HG2 THR 90 -14.376 1.701 -7.261 598 2HG2 THR 90 2HG2 THR 90 -15.865 0.780 -6.943 599 3HG2 THR 90 3HG2 THR 90 -14.948 1.484 -5.589 600 H ALA 91 H ALA 91 -10.780 0.229 -6.377 601 HA ALA 91 HA ALA 91 -10.413 2.625 -8.018 602 1HB ALA 91 1HB ALA 91 -11.244 3.710 -6.158 603 2HB ALA 91 2HB ALA 91 -10.726 2.425 -5.041 604 3HB ALA 91 3HB ALA 91 -9.534 3.580 -5.683 605 H ALA 92 H ALA 92 -9.251 0.045 -8.390 606 HA ALA 92 HA ALA 92 -7.292 -1.127 -7.948 607 1HB ALA 92 1HB ALA 92 -7.477 0.510 -10.103 608 2HB ALA 92 2HB ALA 92 -5.992 1.154 -9.362 609 3HB ALA 92 3HB ALA 92 -6.089 -0.566 -9.810 610 H CYS 93 H CYS 93 -7.461 -0.454 -5.494 611 HA CYS 93 HA CYS 93 -6.119 1.595 -4.383 612 1HB CYS 93 1HB CYS 93 -6.120 0.441 -2.415 613 2HB CYS 93 2HB CYS 93 -7.423 -0.359 -3.313 614 H GLN 94 H GLN 94 -3.889 1.205 -3.043 615 HA GLN 94 HA GLN 94 -2.009 -0.169 -4.767 616 1HB GLN 94 1HB GLN 94 -0.446 1.847 -4.490 617 2HB GLN 94 2HB GLN 94 -1.794 2.043 -5.624 618 1HG GLN 94 1HG GLN 94 -1.968 2.893 -2.711 619 2HG GLN 94 2HG GLN 94 -1.352 3.980 -3.965 620 1HE2 GLN 94 1HE2 GLN 94 -3.433 4.864 -2.649 621 2HE2 GLN 94 2HE2 GLN 94 -4.911 4.765 -3.547 622 H VAL 95 H VAL 95 0.155 -0.492 -3.662 623 HA VAL 95 HA VAL 95 -0.127 -0.364 -0.743 624 HB VAL 95 HB VAL 95 -0.649 -2.618 -1.551 625 1HG1 VAL 95 1HG1 VAL 95 0.748 -3.926 -2.866 626 2HG1 VAL 95 2HG1 VAL 95 0.957 -2.315 -3.593 627 3HG1 VAL 95 3HG1 VAL 95 2.192 -2.958 -2.485 628 1HG2 VAL 95 1HG2 VAL 95 0.240 -3.338 0.360 629 2HG2 VAL 95 2HG2 VAL 95 1.859 -3.381 -0.381 630 3HG2 VAL 95 3HG2 VAL 95 1.280 -1.893 0.406 631 H GLY 96 H GLY 96 1.482 0.825 0.131 632 1HA GLY 96 1HA GLY 96 4.106 0.780 -1.222 633 2HA GLY 96 2HA GLY 96 3.344 2.293 -0.776 634 H LEU 97 H LEU 97 5.633 2.226 0.409 635 HA LEU 97 HA LEU 97 5.263 0.929 3.014 636 1HB LEU 97 1HB LEU 97 7.574 1.447 1.267 637 2HB LEU 97 2HB LEU 97 7.848 1.713 2.997 638 HG LEU 97 HG LEU 97 8.503 -0.477 2.733 639 1HD1 LEU 97 1HD1 LEU 97 6.379 -0.073 4.297 640 2HD1 LEU 97 2HD1 LEU 97 5.664 -1.258 3.177 641 3HD1 LEU 97 3HD1 LEU 97 7.132 -1.672 4.094 642 1HD2 LEU 97 1HD2 LEU 97 6.436 -0.585 0.575 643 2HD2 LEU 97 2HD2 LEU 97 8.149 -1.066 0.551 644 3HD2 LEU 97 3HD2 LEU 97 6.946 -2.101 1.355 645 H SER 98 H SER 98 5.627 2.154 4.949 646 HA SER 98 HA SER 98 5.721 5.025 4.496 647 1HB SER 98 1HB SER 98 3.519 3.450 5.622 648 2HB SER 98 2HB SER 98 4.067 4.712 6.741 649 HG SER 98 HG SER 98 2.344 5.275 5.094 650 H ASP 99 H ASP 99 7.078 6.110 5.934 651 HA ASP 99 HA ASP 99 8.333 4.401 7.915 652 1HB ASP 99 1HB ASP 99 9.650 6.911 7.789 653 2HB ASP 99 2HB ASP 99 10.227 5.369 7.138 654 HD2 ASP 99 HD2 ASP 99 10.241 6.921 4.093 655 H ALA 100 H ALA 100 9.179 5.922 9.912 656 HA ALA 100 HA ALA 100 6.771 7.136 10.971 657 1HB ALA 100 1HB ALA 100 9.486 6.548 12.224 658 2HB ALA 100 2HB ALA 100 8.029 7.084 13.094 659 3HB ALA 100 3HB ALA 100 8.055 5.492 12.299 660 H ALA 101 H ALA 101 8.087 8.484 8.732 661 HA ALA 101 HA ALA 101 8.341 11.057 9.957 662 1HB ALA 101 1HB ALA 101 10.710 10.480 8.273 663 2HB ALA 101 2HB ALA 101 10.580 11.408 9.785 664 3HB ALA 101 3HB ALA 101 10.683 9.633 9.838 665 H GLY 102 H GLY 102 8.713 8.935 7.065 666 1HA GLY 102 1HA GLY 102 8.089 11.092 5.246 667 2HA GLY 102 2HA GLY 102 8.365 9.404 4.860 668 H ASN 103 H ASN 103 6.536 7.917 6.134 669 HA ASN 103 HA ASN 103 4.499 7.200 5.717 670 1HB ASN 103 1HB ASN 103 4.482 8.765 7.866 671 2HB ASN 103 2HB ASN 103 3.448 9.803 6.873 672 1HD2 ASN 103 1HD2 ASN 103 1.398 9.509 7.226 673 2HD2 ASN 103 2HD2 ASN 103 0.591 8.023 7.603 674 H GLY 104 H GLY 104 2.007 8.825 5.430 675 1HA GLY 104 1HA GLY 104 0.876 10.142 3.949 676 2HA GLY 104 2HA GLY 104 2.376 10.548 3.138 677 HA PRO 105 HA PRO 105 0.043 7.213 0.862 678 1HB PRO 105 1HB PRO 105 -1.467 8.650 -0.905 679 2HB PRO 105 2HB PRO 105 -2.111 7.980 0.592 680 1HG PRO 105 1HG PRO 105 -1.359 10.753 -0.076 681 2HG PRO 105 2HG PRO 105 -2.443 10.170 1.238 682 1HD PRO 105 1HD PRO 105 0.247 11.130 1.442 683 2HD PRO 105 2HD PRO 105 -0.720 10.417 2.739 684 H GLU 106 H GLU 106 0.757 6.234 -1.015 685 HA GLU 106 HA GLU 106 1.596 7.439 -3.219 686 1HB GLU 106 1HB GLU 106 3.422 8.114 -1.066 687 2HB GLU 106 2HB GLU 106 4.280 7.209 -2.325 688 1HG GLU 106 1HG GLU 106 3.543 8.788 -4.027 689 2HG GLU 106 2HG GLU 106 2.493 9.623 -2.873 690 HE2 GLU 106 HE2 GLU 106 5.306 11.088 -1.285 691 H GLY 107 H GLY 107 0.513 4.982 -2.391 692 1HA GLY 107 1HA GLY 107 2.563 2.947 -2.436 693 2HA GLY 107 2HA GLY 107 0.825 2.723 -2.391 694 H VAL 108 H VAL 108 1.860 0.984 -4.039 695 HA VAL 108 HA VAL 108 1.953 2.192 -6.703 696 HB VAL 108 HB VAL 108 3.814 0.727 -5.841 697 1HG1 VAL 108 1HG1 VAL 108 2.013 -1.621 -6.409 698 2HG1 VAL 108 2HG1 VAL 108 3.557 -1.568 -5.527 699 3HG1 VAL 108 3HG1 VAL 108 2.082 -0.904 -4.782 700 1HG2 VAL 108 1HG2 VAL 108 3.425 -0.846 -8.071 701 2HG2 VAL 108 2HG2 VAL 108 2.386 0.561 -8.407 702 3HG2 VAL 108 3HG2 VAL 108 4.118 0.794 -8.069 703 H ALA 109 H ALA 109 0.205 2.059 -8.013 704 HA ALA 109 HA ALA 109 -2.146 0.789 -7.088 705 1HB ALA 109 1HB ALA 109 -2.897 2.393 -8.475 706 2HB ALA 109 2HB ALA 109 -1.290 2.586 -9.213 707 3HB ALA 109 3HB ALA 109 -2.413 1.353 -9.836 708 H ILE 110 H ILE 110 -2.568 -1.356 -7.124 709 HA ILE 110 HA ILE 110 -1.303 -2.907 -9.278 710 HB ILE 110 HB ILE 110 -1.763 -3.483 -6.379 711 1HG1 ILE 110 1HG1 ILE 110 0.562 -4.081 -8.216 712 2HG1 ILE 110 2HG1 ILE 110 0.420 -2.615 -7.229 713 1HG2 ILE 110 1HG2 ILE 110 -1.524 -5.848 -6.709 714 2HG2 ILE 110 2HG2 ILE 110 -2.909 -5.281 -7.672 715 3HG2 ILE 110 3HG2 ILE 110 -1.358 -5.638 -8.468 716 1HD1 ILE 110 1HD1 ILE 110 1.747 -4.112 -5.931 717 2HD1 ILE 110 2HD1 ILE 110 0.120 -4.224 -5.218 718 3HD1 ILE 110 3HD1 ILE 110 0.701 -5.500 -6.314 719 H SER 111 H SER 111 -2.580 -4.685 -10.173 720 HA SER 111 HA SER 111 -5.362 -3.922 -10.210 721 1HB SER 111 1HB SER 111 -3.478 -5.044 -12.091 722 2HB SER 111 2HB SER 111 -4.882 -6.117 -11.972 723 HG SER 111 HG SER 111 -6.183 -4.568 -12.803 724 H PHE 112 H PHE 112 -6.555 -4.849 -8.566 725 HA PHE 112 HA PHE 112 -5.883 -7.568 -7.771 726 1HB PHE 112 1HB PHE 112 -7.848 -5.458 -6.703 727 2HB PHE 112 2HB PHE 112 -7.444 -6.963 -5.871 728 HD1 PHE 112 1HD PHE 112 -5.903 -6.821 -4.169 729 HD2 PHE 112 2HD PHE 112 -5.704 -3.987 -7.322 730 HE1 PHE 112 1HE PHE 112 -4.020 -5.648 -2.996 731 HE2 PHE 112 2HE PHE 112 -3.820 -2.814 -6.148 732 HZ PHE 112 HZ PHE 112 -3.001 -3.659 -3.999 733 H ASN 113 H ASN 113 -7.676 -9.145 -7.407 734 HA ASN 113 HA ASN 113 -9.101 -10.409 -8.546 735 1HB ASN 113 1HB ASN 113 -10.478 -9.411 -6.790 736 2HB ASN 113 2HB ASN 113 -10.767 -7.961 -7.765 737 1HD2 ASN 113 1HD2 ASN 113 -11.324 -11.423 -7.469 738 2HD2 ASN 113 2HD2 ASN 113 -12.764 -11.516 -8.426 Start of MODEL 15 1 H ALA 1 H ALA 1 8.311 8.889 1.956 2 HA ALA 1 HA ALA 1 9.411 7.571 0.525 3 1HB ALA 1 1HB ALA 1 7.030 6.339 0.481 4 2HB ALA 1 2HB ALA 1 7.022 6.973 -1.182 5 3HB ALA 1 3HB ALA 1 8.338 5.902 -0.645 6 H ALA 2 H ALA 2 10.702 9.062 -0.474 7 HA ALA 2 HA ALA 2 9.748 11.174 -2.017 8 1HB ALA 2 1HB ALA 2 11.892 11.712 -1.609 9 2HB ALA 2 2HB ALA 2 12.278 10.032 -1.167 10 3HB ALA 2 3HB ALA 2 12.372 10.549 -2.868 11 HA PRO 3 HA PRO 3 10.630 8.452 -5.768 12 1HB PRO 3 1HB PRO 3 11.481 5.875 -5.460 13 2HB PRO 3 2HB PRO 3 12.579 7.227 -5.725 14 1HG PRO 3 1HG PRO 3 11.951 5.751 -3.248 15 2HG PRO 3 2HG PRO 3 13.387 6.776 -3.611 16 1HD PRO 3 1HD PRO 3 11.120 7.401 -1.976 17 2HD PRO 3 2HD PRO 3 12.428 8.501 -2.432 18 H THR 4 H THR 4 10.077 5.363 -4.315 19 HA THR 4 HA THR 4 7.388 5.410 -3.898 20 HB THR 4 HB THR 4 6.962 4.280 -6.399 21 HG1 THR 4 1HG THR 4 9.143 5.049 -6.987 22 1HG2 THR 4 1HG2 THR 4 6.590 7.079 -6.785 23 2HG2 THR 4 2HG2 THR 4 5.356 5.902 -6.276 24 3HG2 THR 4 3HG2 THR 4 6.296 6.791 -5.053 25 H ALA 5 H ALA 5 6.368 3.161 -4.084 26 HA ALA 5 HA ALA 5 8.518 1.234 -3.553 27 1HB ALA 5 1HB ALA 5 7.353 0.774 -1.690 28 2HB ALA 5 2HB ALA 5 6.152 2.010 -2.135 29 3HB ALA 5 3HB ALA 5 5.940 0.328 -2.676 30 H THR 6 H THR 6 7.836 -1.121 -4.091 31 HA THR 6 HA THR 6 5.996 -1.350 -6.305 32 HB THR 6 HB THR 6 7.648 -1.958 -7.952 33 HG1 THR 6 1HG THR 6 9.395 -1.829 -5.594 34 1HG2 THR 6 1HG2 THR 6 9.276 -0.083 -7.998 35 2HG2 THR 6 2HG2 THR 6 7.669 0.528 -7.537 36 3HG2 THR 6 3HG2 THR 6 8.920 0.284 -6.294 37 H VAL 7 H VAL 7 5.485 -3.554 -6.836 38 HA VAL 7 HA VAL 7 6.449 -5.435 -4.796 39 HB VAL 7 HB VAL 7 4.128 -4.489 -4.422 40 1HG1 VAL 7 1HG1 VAL 7 2.610 -4.524 -6.053 41 2HG1 VAL 7 2HG1 VAL 7 3.816 -5.245 -7.145 42 3HG1 VAL 7 3HG1 VAL 7 2.750 -6.293 -6.179 43 1HG2 VAL 7 1HG2 VAL 7 4.932 -7.349 -4.512 44 2HG2 VAL 7 2HG2 VAL 7 4.369 -6.352 -3.148 45 3HG2 VAL 7 3HG2 VAL 7 3.194 -7.022 -4.305 46 H THR 8 H THR 8 6.582 -7.665 -5.485 47 HA THR 8 HA THR 8 7.772 -8.182 -7.807 48 HB THR 8 HB THR 8 6.152 -9.695 -5.834 49 HG1 THR 8 1HG THR 8 8.134 -11.068 -6.328 50 1HG2 THR 8 1HG2 THR 8 6.556 -11.781 -7.450 51 2HG2 THR 8 2HG2 THR 8 5.040 -10.858 -7.566 52 3HG2 THR 8 3HG2 THR 8 6.351 -10.564 -8.733 53 HA PRO 9 HA PRO 9 3.755 -8.699 -10.178 54 1HB PRO 9 1HB PRO 9 1.354 -8.120 -9.009 55 2HB PRO 9 2HB PRO 9 2.017 -9.750 -9.092 56 1HG PRO 9 1HG PRO 9 1.897 -7.864 -6.827 57 2HG PRO 9 2HG PRO 9 2.121 -9.650 -6.790 58 1HD PRO 9 1HD PRO 9 4.081 -7.602 -6.383 59 2HD PRO 9 2HD PRO 9 4.380 -9.340 -6.495 60 H SER 10 H SER 10 1.489 -7.130 -10.649 61 HA SER 10 HA SER 10 2.263 -4.445 -10.176 62 1HB SER 10 1HB SER 10 2.598 -3.781 -12.501 63 2HB SER 10 2HB SER 10 3.779 -5.030 -12.069 64 HG SER 10 HG SER 10 1.393 -6.051 -13.114 65 H SER 11 H SER 11 0.237 -6.958 -11.648 66 HA SER 11 HA SER 11 -2.084 -5.547 -10.978 67 1HB SER 11 1HB SER 11 -2.983 -5.473 -13.388 68 2HB SER 11 2HB SER 11 -1.819 -4.216 -12.931 69 HG SER 11 HG SER 11 -0.537 -4.916 -14.486 70 H GLY 12 H GLY 12 -4.051 -6.890 -11.408 71 1HA GLY 12 1HA GLY 12 -5.151 -8.830 -11.831 72 2HA GLY 12 2HA GLY 12 -3.722 -9.485 -12.606 73 H LEU 13 H LEU 13 -3.573 -8.049 -9.346 74 HA LEU 13 HA LEU 13 -2.529 -10.490 -8.309 75 1HB LEU 13 1HB LEU 13 -3.334 -8.250 -6.542 76 2HB LEU 13 2HB LEU 13 -1.880 -9.263 -6.512 77 HG LEU 13 HG LEU 13 -2.479 -6.837 -8.198 78 1HD1 LEU 13 1HD1 LEU 13 -1.458 -6.096 -6.283 79 2HD1 LEU 13 2HD1 LEU 13 -0.498 -7.581 -6.080 80 3HD1 LEU 13 3HD1 LEU 13 -0.041 -6.387 -7.319 81 1HD2 LEU 13 1HD2 LEU 13 -0.289 -7.311 -9.364 82 2HD2 LEU 13 2HD2 LEU 13 -0.398 -8.968 -8.723 83 3HD2 LEU 13 3HD2 LEU 13 -1.656 -8.355 -9.824 84 H SER 14 H SER 14 -3.889 -9.941 -5.611 85 HA SER 14 HA SER 14 -6.600 -10.655 -6.181 86 1HB SER 14 1HB SER 14 -4.813 -12.734 -6.007 87 2HB SER 14 2HB SER 14 -5.349 -12.604 -4.323 88 HG SER 14 HG SER 14 -6.644 -13.683 -6.474 89 H ASP 15 H ASP 15 -7.828 -10.976 -3.984 90 HA ASP 15 HA ASP 15 -7.317 -8.756 -2.430 91 1HB ASP 15 1HB ASP 15 -8.995 -9.781 -0.859 92 2HB ASP 15 2HB ASP 15 -9.541 -9.734 -2.542 93 HD2 ASP 15 HD2 ASP 15 -9.613 -13.200 -2.749 94 H GLY 16 H GLY 16 -5.299 -8.670 -1.350 95 1HA GLY 16 1HA GLY 16 -4.023 -9.072 0.515 96 2HA GLY 16 2HA GLY 16 -4.899 -10.559 0.820 97 H THR 17 H THR 17 -3.460 -9.645 -2.344 98 HA THR 17 HA THR 17 -2.129 -12.135 -2.555 99 HB THR 17 HB THR 17 -2.538 -9.629 -4.129 100 HG1 THR 17 1HG THR 17 -3.463 -11.990 -4.154 101 1HG2 THR 17 1HG2 THR 17 -0.280 -9.525 -4.710 102 2HG2 THR 17 2HG2 THR 17 0.026 -11.205 -4.207 103 3HG2 THR 17 3HG2 THR 17 -0.758 -10.873 -5.770 104 H VAL 18 H VAL 18 -0.906 -12.300 -0.581 105 HA VAL 18 HA VAL 18 1.081 -10.400 0.044 106 HB VAL 18 HB VAL 18 1.053 -13.312 0.821 107 1HG1 VAL 18 1HG1 VAL 18 1.841 -10.889 2.460 108 2HG1 VAL 18 2HG1 VAL 18 2.169 -12.605 2.800 109 3HG1 VAL 18 3HG1 VAL 18 2.991 -11.793 1.446 110 1HG2 VAL 18 1HG2 VAL 18 -0.280 -11.926 2.836 111 2HG2 VAL 18 2HG2 VAL 18 -0.982 -11.282 1.332 112 3HG2 VAL 18 3HG2 VAL 18 -1.009 -13.033 1.648 113 H VAL 19 H VAL 19 2.576 -9.890 -1.512 114 HA VAL 19 HA VAL 19 4.107 -12.164 -2.566 115 HB VAL 19 HB VAL 19 4.426 -10.454 -4.546 116 1HG1 VAL 19 1HG1 VAL 19 3.611 -12.474 -5.236 117 2HG1 VAL 19 2HG1 VAL 19 2.317 -12.499 -4.014 118 3HG1 VAL 19 3HG1 VAL 19 2.144 -11.495 -5.475 119 1HG2 VAL 19 1HG2 VAL 19 2.802 -8.884 -4.914 120 2HG2 VAL 19 2HG2 VAL 19 1.563 -9.787 -4.009 121 3HG2 VAL 19 3HG2 VAL 19 2.810 -8.867 -3.134 122 H LYS 20 H LYS 20 6.313 -11.216 -3.511 123 HA LYS 20 HA LYS 20 7.569 -9.985 -1.269 124 1HB LYS 20 1HB LYS 20 8.361 -11.735 -3.177 125 2HB LYS 20 2HB LYS 20 9.067 -10.238 -3.809 126 1HG LYS 20 1HG LYS 20 10.381 -9.908 -1.878 127 2HG LYS 20 2HG LYS 20 9.379 -10.979 -0.884 128 1HD LYS 20 1HD LYS 20 10.179 -12.924 -2.206 129 2HD LYS 20 2HD LYS 20 11.190 -11.849 -3.189 130 1HE LYS 20 1HE LYS 20 12.803 -11.774 -1.598 131 2HE LYS 20 2HE LYS 20 11.636 -11.472 -0.303 132 1HZ LYS 20 1HZ LYS 20 11.254 -14.057 -1.060 133 2HZ LYS 20 2HZ LYS 20 12.878 -13.881 -1.056 134 3HZ LYS 20 3HZ LYS 20 12.016 -13.545 0.290 135 H VAL 21 H VAL 21 7.882 -7.857 -0.878 136 HA VAL 21 HA VAL 21 7.368 -6.040 -3.129 137 HB VAL 21 HB VAL 21 6.024 -6.231 -0.773 138 1HG1 VAL 21 1HG1 VAL 21 8.010 -3.967 -0.391 139 2HG1 VAL 21 2HG1 VAL 21 6.662 -4.403 0.686 140 3HG1 VAL 21 3HG1 VAL 21 8.043 -5.511 0.494 141 1HG2 VAL 21 1HG2 VAL 21 4.788 -4.736 -1.872 142 2HG2 VAL 21 2HG2 VAL 21 6.004 -3.471 -1.576 143 3HG2 VAL 21 3HG2 VAL 21 6.127 -4.502 -3.021 144 H ALA 22 H ALA 22 8.832 -4.344 -3.532 145 HA ALA 22 HA ALA 22 11.179 -4.216 -1.806 146 1HB ALA 22 1HB ALA 22 12.696 -4.820 -3.429 147 2HB ALA 22 2HB ALA 22 11.324 -5.827 -3.947 148 3HB ALA 22 3HB ALA 22 11.650 -4.279 -4.763 149 H GLY 23 H GLY 23 12.492 -2.224 -2.280 150 1HA GLY 23 1HA GLY 23 12.712 -0.044 -2.841 151 2HA GLY 23 2HA GLY 23 11.378 -0.199 -3.966 152 H ALA 24 H ALA 24 10.834 2.022 -3.078 153 HA ALA 24 HA ALA 24 8.634 2.368 -1.862 154 1HB ALA 24 1HB ALA 24 9.060 2.409 0.664 155 2HB ALA 24 2HB ALA 24 8.945 0.801 -0.090 156 3HB ALA 24 3HB ALA 24 10.537 1.475 0.329 157 H GLY 25 H GLY 25 10.047 3.800 0.698 158 1HA GLY 25 1HA GLY 25 10.309 6.322 -0.648 159 2HA GLY 25 2HA GLY 25 10.505 5.990 1.062 160 H LEU 26 H LEU 26 12.387 3.666 -0.396 161 HA LEU 26 HA LEU 26 14.592 3.385 -0.395 162 1HB LEU 26 1HB LEU 26 14.348 4.097 -2.607 163 2HB LEU 26 2HB LEU 26 14.224 5.804 -2.146 164 HG LEU 26 HG LEU 26 16.739 4.920 -1.224 165 1HD1 LEU 26 1HD1 LEU 26 16.565 4.213 -4.139 166 2HD1 LEU 26 2HD1 LEU 26 17.809 3.791 -2.938 167 3HD1 LEU 26 3HD1 LEU 26 16.219 2.993 -2.890 168 1HD2 LEU 26 1HD2 LEU 26 15.810 6.688 -3.483 169 2HD2 LEU 26 2HD2 LEU 26 16.471 7.145 -1.895 170 3HD2 LEU 26 3HD2 LEU 26 17.536 6.434 -3.131 171 H GLN 27 H GLN 27 14.078 4.132 2.057 172 HA GLN 27 HA GLN 27 15.232 6.606 2.758 173 1HB GLN 27 1HB GLN 27 13.801 4.444 4.048 174 2HB GLN 27 2HB GLN 27 15.201 4.898 5.035 175 1HG GLN 27 1HG GLN 27 13.012 6.169 5.471 176 2HG GLN 27 2HG GLN 27 14.452 7.167 5.219 177 1HE2 GLN 27 1HE2 GLN 27 14.580 8.511 3.520 178 2HE2 GLN 27 2HE2 GLN 27 13.330 8.765 2.347 179 H ALA 28 H ALA 28 16.265 3.570 4.361 180 HA ALA 28 HA ALA 28 18.618 2.977 3.279 181 1HB ALA 28 1HB ALA 28 19.627 5.062 3.235 182 2HB ALA 28 2HB ALA 28 18.800 5.614 4.711 183 3HB ALA 28 3HB ALA 28 20.169 4.484 4.828 184 H GLY 29 H GLY 29 18.139 1.010 4.270 185 1HA GLY 29 1HA GLY 29 17.736 -0.450 5.971 186 2HA GLY 29 2HA GLY 29 19.245 0.223 6.556 187 H THR 30 H THR 30 15.788 1.364 6.382 188 HA THR 30 HA THR 30 15.896 1.767 9.287 189 HB THR 30 HB THR 30 16.202 3.849 7.473 190 HG1 THR 30 1HG THR 30 15.779 5.007 9.438 191 1HG2 THR 30 1HG2 THR 30 14.112 5.100 7.442 192 2HG2 THR 30 2HG2 THR 30 13.755 3.495 6.760 193 3HG2 THR 30 3HG2 THR 30 13.300 3.869 8.439 194 H ALA 31 H ALA 31 13.863 1.668 10.366 195 HA ALA 31 HA ALA 31 12.223 -0.335 9.585 196 1HB ALA 31 1HB ALA 31 11.198 0.169 11.534 197 2HB ALA 31 2HB ALA 31 12.389 1.482 11.685 198 3HB ALA 31 3HB ALA 31 10.786 1.812 10.986 199 H TYR 32 H TYR 32 10.189 -0.519 8.512 200 HA TYR 32 HA TYR 32 9.199 1.837 7.136 201 1HB TYR 32 1HB TYR 32 10.816 -0.398 6.026 202 2HB TYR 32 2HB TYR 32 9.263 -0.248 5.196 203 HD1 TYR 32 1HD TYR 32 8.704 2.446 4.763 204 HD2 TYR 32 2HD TYR 32 12.568 0.618 4.934 205 HE1 TYR 32 1HE TYR 32 9.665 4.326 3.346 206 HE2 TYR 32 2HE TYR 32 13.515 2.503 3.516 207 HH TYR 32 HH TYR 32 12.207 4.198 1.668 208 H ASP 33 H ASP 33 7.417 1.434 8.659 209 HA ASP 33 HA ASP 33 6.105 -0.963 8.833 210 1HB ASP 33 1HB ASP 33 5.799 1.137 10.242 211 2HB ASP 33 2HB ASP 33 4.806 1.796 8.932 212 HD2 ASP 33 HD2 ASP 33 2.160 -0.369 9.734 213 H VAL 34 H VAL 34 4.923 -2.083 7.275 214 HA VAL 34 HA VAL 34 4.539 -1.124 4.710 215 HB VAL 34 HB VAL 34 3.395 -3.370 6.337 216 1HG1 VAL 34 1HG1 VAL 34 2.241 -4.235 4.356 217 2HG1 VAL 34 2HG1 VAL 34 1.581 -2.653 4.836 218 3HG1 VAL 34 3HG1 VAL 34 2.685 -2.772 3.444 219 1HG2 VAL 34 1HG2 VAL 34 4.674 -4.753 4.775 220 2HG2 VAL 34 2HG2 VAL 34 5.149 -3.304 3.857 221 3HG2 VAL 34 3HG2 VAL 34 5.718 -3.524 5.529 222 H GLY 35 H GLY 35 2.571 -0.517 3.558 223 1HA GLY 35 1HA GLY 35 0.504 0.640 5.328 224 2HA GLY 35 2HA GLY 35 1.218 1.553 4.011 225 H GLN 36 H GLN 36 -0.927 1.754 3.040 226 HA GLN 36 HA GLN 36 -1.413 0.279 0.929 227 1HB GLN 36 1HB GLN 36 -2.213 -1.259 3.313 228 2HB GLN 36 2HB GLN 36 -3.503 -1.123 2.106 229 1HG GLN 36 1HG GLN 36 -0.958 -1.676 0.813 230 2HG GLN 36 2HG GLN 36 -1.262 -2.879 2.075 231 1HE2 GLN 36 1HE2 GLN 36 -2.734 -1.191 -0.674 232 2HE2 GLN 36 2HE2 GLN 36 -3.753 -2.483 -1.215 233 H CYS 37 H CYS 37 -2.532 1.894 -0.074 234 HA CYS 37 HA CYS 37 -4.911 2.876 1.319 235 1HB CYS 37 1HB CYS 37 -3.121 4.617 -0.356 236 2HB CYS 37 2HB CYS 37 -4.497 5.115 0.644 237 H ALA 38 H ALA 38 -6.301 4.160 -0.487 238 HA ALA 38 HA ALA 38 -6.037 2.795 -3.057 239 1HB ALA 38 1HB ALA 38 -7.654 1.377 -2.236 240 2HB ALA 38 2HB ALA 38 -8.269 2.575 -1.072 241 3HB ALA 38 3HB ALA 38 -8.707 2.699 -2.793 242 H TRP 39 H TRP 39 -6.440 4.140 -4.783 243 HA TRP 39 HA TRP 39 -7.235 6.867 -4.074 244 1HB TRP 39 1HB TRP 39 -6.053 7.618 -5.913 245 2HB TRP 39 2HB TRP 39 -5.028 6.355 -5.227 246 HD1 TRP 39 HD TRP 39 -4.785 4.069 -6.717 247 HE1 TRP 39 1HE TRP 39 -5.151 3.487 -9.265 248 HE3 TRP 39 3HE TRP 39 -7.523 8.212 -7.814 249 HZ2 TRP 39 2HZ TRP 39 -6.513 4.794 -11.405 250 HZ3 TRP 39 3HZ TRP 39 -8.332 8.482 -10.156 251 HH2 TRP 39 HH TRP 39 -7.869 6.857 -11.922 252 H VAL 40 H VAL 40 -9.358 7.352 -4.423 253 HA VAL 40 HA VAL 40 -10.922 5.621 -6.117 254 HB VAL 40 HB VAL 40 -11.615 8.050 -4.453 255 1HG1 VAL 40 1HG1 VAL 40 -13.100 6.980 -6.538 256 2HG1 VAL 40 2HG1 VAL 40 -13.788 6.196 -5.095 257 3HG1 VAL 40 3HG1 VAL 40 -13.728 7.972 -5.200 258 1HG2 VAL 40 1HG2 VAL 40 -12.809 6.013 -3.181 259 2HG2 VAL 40 2HG2 VAL 40 -11.435 5.128 -3.887 260 3HG2 VAL 40 3HG2 VAL 40 -11.142 6.525 -2.824 261 H ASP 41 H ASP 41 -11.975 8.910 -6.135 262 HA ASP 41 HA ASP 41 -11.439 8.985 -8.957 263 1HB ASP 41 1HB ASP 41 -13.149 10.554 -7.023 264 2HB ASP 41 2HB ASP 41 -12.794 11.245 -8.616 265 HD2 ASP 41 HD2 ASP 41 -15.886 9.479 -8.957 266 H THR 42 H THR 42 -9.134 9.233 -7.195 267 HA THR 42 HA THR 42 -7.297 10.471 -6.983 268 HB THR 42 HB THR 42 -8.745 11.694 -9.262 269 HG1 THR 42 1HG THR 42 -5.926 11.370 -8.518 270 1HG2 THR 42 1HG2 THR 42 -6.887 13.332 -7.496 271 2HG2 THR 42 2HG2 THR 42 -6.854 13.541 -9.264 272 3HG2 THR 42 3HG2 THR 42 -8.352 13.861 -8.359 273 H GLY 43 H GLY 43 -10.105 12.773 -7.051 274 1HA GLY 43 1HA GLY 43 -9.058 14.491 -5.099 275 2HA GLY 43 2HA GLY 43 -10.738 14.345 -5.576 276 H VAL 44 H VAL 44 -10.374 11.265 -4.856 277 HA VAL 44 HA VAL 44 -10.596 11.643 -1.951 278 HB VAL 44 HB VAL 44 -12.261 9.760 -3.624 279 1HG1 VAL 44 1HG1 VAL 44 -13.535 9.382 -1.657 280 2HG1 VAL 44 2HG1 VAL 44 -11.830 9.266 -1.163 281 3HG1 VAL 44 3HG1 VAL 44 -12.762 10.738 -0.801 282 1HG2 VAL 44 1HG2 VAL 44 -13.352 11.598 -4.328 283 2HG2 VAL 44 2HG2 VAL 44 -14.013 11.650 -2.676 284 3HG2 VAL 44 3HG2 VAL 44 -12.595 12.639 -3.099 285 H LEU 45 H LEU 45 -9.152 10.441 -0.830 286 HA LEU 45 HA LEU 45 -8.249 7.948 -2.072 287 1HB LEU 45 1HB LEU 45 -6.678 9.903 -2.433 288 2HB LEU 45 2HB LEU 45 -6.366 9.847 -0.690 289 HG LEU 45 HG LEU 45 -6.072 7.264 -2.078 290 1HD1 LEU 45 1HD1 LEU 45 -5.251 8.648 -3.877 291 2HD1 LEU 45 2HD1 LEU 45 -4.216 9.561 -2.753 292 3HD1 LEU 45 3HD1 LEU 45 -3.880 7.843 -3.075 293 1HD2 LEU 45 1HD2 LEU 45 -4.361 8.848 -0.144 294 2HD2 LEU 45 2HD2 LEU 45 -5.454 7.495 0.237 295 3HD2 LEU 45 3HD2 LEU 45 -3.987 7.209 -0.729 296 H ALA 46 H ALA 46 -8.717 6.292 -0.739 297 HA ALA 46 HA ALA 46 -8.987 6.922 2.112 298 1HB ALA 46 1HB ALA 46 -11.010 5.997 1.467 299 2HB ALA 46 2HB ALA 46 -10.267 4.973 0.215 300 3HB ALA 46 3HB ALA 46 -10.125 4.524 1.931 301 H CYS 47 H CYS 47 -7.215 6.458 3.312 302 HA CYS 47 HA CYS 47 -5.334 4.529 2.291 303 1HB CYS 47 1HB CYS 47 -5.325 6.711 4.250 304 2HB CYS 47 2HB CYS 47 -4.349 5.307 4.714 305 H ASN 48 H ASN 48 -4.488 2.798 3.849 306 HA ASN 48 HA ASN 48 -6.741 1.805 5.409 307 1HB ASN 48 1HB ASN 48 -5.844 0.483 3.351 308 2HB ASN 48 2HB ASN 48 -4.430 0.116 4.351 309 1HD2 ASN 48 1HD2 ASN 48 -7.987 0.126 4.456 310 2HD2 ASN 48 2HD2 ASN 48 -8.188 -1.350 5.338 311 HA PRO 49 HA PRO 49 -3.462 2.623 8.412 312 1HB PRO 49 1HB PRO 49 -5.093 3.409 10.459 313 2HB PRO 49 2HB PRO 49 -4.399 4.534 9.292 314 1HG PRO 49 1HG PRO 49 -7.139 3.459 9.493 315 2HG PRO 49 2HG PRO 49 -6.571 4.934 8.630 316 1HD PRO 49 1HD PRO 49 -7.320 2.401 7.523 317 2HD PRO 49 2HD PRO 49 -6.616 3.769 6.648 318 H ALA 50 H ALA 50 -4.282 0.065 7.682 319 HA ALA 50 HA ALA 50 -4.199 -1.135 10.350 320 1HB ALA 50 1HB ALA 50 -5.878 -2.780 9.706 321 2HB ALA 50 2HB ALA 50 -6.555 -1.146 9.505 322 3HB ALA 50 3HB ALA 50 -6.005 -2.063 8.081 323 H ASP 51 H ASP 51 -2.627 -0.546 7.550 324 HA ASP 51 HA ASP 51 -1.944 -2.712 6.262 325 1HB ASP 51 1HB ASP 51 0.571 -1.786 6.681 326 2HB ASP 51 2HB ASP 51 -0.584 -0.975 5.612 327 HD2 ASP 51 HD2 ASP 51 -0.684 1.808 7.615 328 H PHE 52 H PHE 52 -0.644 -1.765 9.527 329 HA PHE 52 HA PHE 52 0.185 -2.953 11.191 330 1HB PHE 52 1HB PHE 52 -1.620 -4.695 9.765 331 2HB PHE 52 2HB PHE 52 -0.202 -5.672 10.162 332 HD1 PHE 52 1HD PHE 52 -2.219 -3.057 11.926 333 HD2 PHE 52 2HD PHE 52 -0.513 -6.941 12.049 334 HE1 PHE 52 1HE PHE 52 -3.111 -3.375 14.251 335 HE2 PHE 52 2HE PHE 52 -1.405 -7.258 14.374 336 HZ PHE 52 HZ PHE 52 -2.693 -5.472 15.446 337 H SER 53 H SER 53 0.755 -4.959 8.204 338 HA SER 53 HA SER 53 3.025 -6.124 8.770 339 1HB SER 53 1HB SER 53 2.021 -4.811 6.274 340 2HB SER 53 2HB SER 53 3.696 -5.392 6.261 341 HG SER 53 HG SER 53 1.318 -6.805 6.109 342 H SER 54 H SER 54 5.364 -5.650 8.471 343 HA SER 54 HA SER 54 6.105 -2.912 8.218 344 1HB SER 54 1HB SER 54 7.404 -3.020 10.451 345 2HB SER 54 2HB SER 54 5.659 -2.720 10.536 346 HG SER 54 HG SER 54 5.313 -4.850 11.194 347 H VAL 55 H VAL 55 8.327 -2.714 7.621 348 HA VAL 55 HA VAL 55 9.967 -5.106 7.802 349 HB VAL 55 HB VAL 55 8.543 -4.969 5.618 350 1HG1 VAL 55 1HG1 VAL 55 9.023 -3.420 4.057 351 2HG1 VAL 55 2HG1 VAL 55 9.723 -2.500 5.411 352 3HG1 VAL 55 3HG1 VAL 55 10.773 -3.496 4.375 353 1HG2 VAL 55 1HG2 VAL 55 11.328 -5.801 6.128 354 2HG2 VAL 55 2HG2 VAL 55 9.963 -6.711 5.438 355 3HG2 VAL 55 3HG2 VAL 55 10.914 -5.613 4.408 356 H THR 56 H THR 56 11.969 -4.003 5.958 357 HA THR 56 HA THR 56 12.619 -1.414 7.118 358 HB THR 56 HB THR 56 14.069 -4.030 7.646 359 HG1 THR 56 1HG THR 56 13.308 -3.310 9.594 360 1HG2 THR 56 1HG2 THR 56 15.840 -2.586 6.697 361 2HG2 THR 56 2HG2 THR 56 15.266 -1.209 7.670 362 3HG2 THR 56 3HG2 THR 56 15.999 -2.621 8.470 363 H ALA 57 H ALA 57 14.566 -0.434 6.049 364 HA ALA 57 HA ALA 57 14.347 -0.990 3.218 365 1HB ALA 57 1HB ALA 57 14.826 1.208 3.002 366 2HB ALA 57 2HB ALA 57 14.598 1.304 4.764 367 3HB ALA 57 3HB ALA 57 16.231 1.092 4.089 368 H ASP 58 H ASP 58 16.539 -0.819 1.944 369 HA ASP 58 HA ASP 58 18.484 -2.430 3.402 370 1HB ASP 58 1HB ASP 58 19.038 -3.339 1.038 371 2HB ASP 58 2HB ASP 58 17.565 -3.936 1.817 372 HD2 ASP 58 HD2 ASP 58 16.169 -3.214 -1.254 373 H ALA 59 H ALA 59 20.434 -1.312 3.556 374 HA ALA 59 HA ALA 59 21.761 0.510 3.285 375 1HB ALA 59 1HB ALA 59 21.945 -1.395 0.994 376 2HB ALA 59 2HB ALA 59 22.829 0.142 0.828 377 3HB ALA 59 3HB ALA 59 23.169 -0.936 2.203 378 H ASN 60 H ASN 60 20.935 0.369 -0.195 379 HA ASN 60 HA ASN 60 20.865 2.919 -0.727 380 1HB ASN 60 1HB ASN 60 19.793 0.590 -1.913 381 2HB ASN 60 2HB ASN 60 18.433 1.722 -1.884 382 1HD2 ASN 60 1HD2 ASN 60 20.335 0.590 -3.984 383 2HD2 ASN 60 2HD2 ASN 60 20.874 1.963 -4.891 384 H GLY 61 H GLY 61 18.115 1.035 0.712 385 1HA GLY 61 1HA GLY 61 16.959 2.260 2.535 386 2HA GLY 61 2HA GLY 61 16.810 3.598 1.412 387 H SER 62 H SER 62 16.645 0.683 -0.345 388 HA SER 62 HA SER 62 13.825 1.062 -0.666 389 1HB SER 62 1HB SER 62 14.575 0.601 -2.752 390 2HB SER 62 2HB SER 62 16.032 -0.219 -2.161 391 HG SER 62 HG SER 62 14.203 -1.472 -3.349 392 H ALA 63 H ALA 63 12.202 -0.336 0.065 393 HA ALA 63 HA ALA 63 12.861 -2.096 2.165 394 1HB ALA 63 1HB ALA 63 10.228 -2.295 0.763 395 2HB ALA 63 2HB ALA 63 10.590 -2.152 2.499 396 3HB ALA 63 3HB ALA 63 10.660 -0.713 1.455 397 H SER 64 H SER 64 12.185 -4.458 2.205 398 HA SER 64 HA SER 64 12.050 -5.777 -0.293 399 1HB SER 64 1HB SER 64 14.140 -7.113 0.009 400 2HB SER 64 2HB SER 64 14.459 -5.398 -0.307 401 HG SER 64 HG SER 64 15.005 -5.086 1.855 402 H THR 65 H THR 65 10.358 -7.094 0.322 403 HA THR 65 HA THR 65 10.762 -9.241 2.042 404 HB THR 65 HB THR 65 10.777 -7.506 3.833 405 HG1 THR 65 1HG THR 65 9.208 -8.703 5.005 406 1HG2 THR 65 1HG2 THR 65 8.117 -6.787 2.537 407 2HG2 THR 65 2HG2 THR 65 8.379 -6.516 4.276 408 3HG2 THR 65 3HG2 THR 65 9.412 -5.694 3.082 409 H SER 66 H SER 66 7.781 -8.810 2.988 410 HA SER 66 HA SER 66 6.573 -9.190 0.381 411 1HB SER 66 1HB SER 66 5.548 -11.247 0.940 412 2HB SER 66 2HB SER 66 7.225 -11.429 1.488 413 HG SER 66 HG SER 66 5.988 -10.411 3.578 414 H LEU 67 H LEU 67 4.608 -8.124 0.231 415 HA LEU 67 HA LEU 67 3.411 -7.272 2.776 416 1HB LEU 67 1HB LEU 67 4.082 -5.790 0.302 417 2HB LEU 67 2HB LEU 67 2.552 -5.380 1.099 418 HG LEU 67 HG LEU 67 3.673 -4.693 3.081 419 1HD1 LEU 67 1HD1 LEU 67 6.060 -6.104 1.915 420 2HD1 LEU 67 2HD1 LEU 67 6.259 -4.821 3.132 421 3HD1 LEU 67 3HD1 LEU 67 5.312 -6.277 3.522 422 1HD2 LEU 67 1HD2 LEU 67 3.838 -2.817 1.844 423 2HD2 LEU 67 2HD2 LEU 67 5.581 -3.173 1.917 424 3HD2 LEU 67 3HD2 LEU 67 4.635 -3.646 0.486 425 H THR 68 H THR 68 1.116 -7.306 2.916 426 HA THR 68 HA THR 68 -0.065 -9.295 1.189 427 HB THR 68 HB THR 68 -0.398 -9.307 3.660 428 HG1 THR 68 1HG THR 68 -2.574 -8.600 1.840 429 1HG2 THR 68 1HG2 THR 68 -0.908 -6.479 3.237 430 2HG2 THR 68 2HG2 THR 68 -2.387 -7.242 3.870 431 3HG2 THR 68 3HG2 THR 68 -0.860 -7.370 4.777 432 H VAL 69 H VAL 69 -0.492 -8.608 -0.850 433 HA VAL 69 HA VAL 69 -1.346 -5.975 -1.401 434 HB VAL 69 HB VAL 69 -1.455 -8.534 -3.009 435 1HG1 VAL 69 1HG1 VAL 69 -2.967 -6.426 -3.620 436 2HG1 VAL 69 2HG1 VAL 69 -1.432 -5.837 -4.304 437 3HG1 VAL 69 3HG1 VAL 69 -2.127 -7.376 -4.870 438 1HG2 VAL 69 1HG2 VAL 69 0.595 -7.794 -4.034 439 2HG2 VAL 69 2HG2 VAL 69 0.538 -6.250 -3.151 440 3HG2 VAL 69 3HG2 VAL 69 0.812 -7.770 -2.267 441 H ARG 70 H ARG 70 -3.021 -6.047 0.452 442 HA ARG 70 HA ARG 70 -5.292 -7.594 0.156 443 1HB ARG 70 1HB ARG 70 -5.026 -4.838 1.443 444 2HB ARG 70 2HB ARG 70 -6.317 -6.005 1.774 445 1HG ARG 70 1HG ARG 70 -4.915 -7.408 2.988 446 2HG ARG 70 2HG ARG 70 -3.454 -6.884 2.130 447 1HD ARG 70 1HD ARG 70 -4.773 -4.713 3.632 448 2HD ARG 70 2HD ARG 70 -4.251 -6.044 4.673 449 HE ARG 70 HE ARG 70 -2.307 -4.962 2.694 450 1HH1 ARG 70 1HH1 ARG 70 -3.347 -5.245 6.045 451 2HH1 ARG 70 2HH1 ARG 70 -1.835 -4.702 6.693 452 1HH2 ARG 70 1HH2 ARG 70 -0.312 -4.246 3.550 453 2HH2 ARG 70 2HH2 ARG 70 -0.097 -4.130 5.264 454 H ARG 71 H ARG 71 -7.149 -7.353 -1.101 455 HA ARG 71 HA ARG 71 -7.145 -5.029 -2.833 456 1HB ARG 71 1HB ARG 71 -7.175 -7.321 -3.860 457 2HB ARG 71 2HB ARG 71 -8.732 -7.635 -3.076 458 1HG ARG 71 1HG ARG 71 -9.437 -5.383 -4.282 459 2HG ARG 71 2HG ARG 71 -8.067 -5.748 -5.345 460 1HD ARG 71 1HD ARG 71 -9.496 -7.076 -6.498 461 2HD ARG 71 2HD ARG 71 -9.428 -8.198 -5.131 462 HE ARG 71 HE ARG 71 -11.334 -6.175 -4.516 463 1HH1 ARG 71 1HH1 ARG 71 -10.923 -8.822 -6.797 464 2HH1 ARG 71 2HH1 ARG 71 -12.623 -9.097 -6.980 465 1HH2 ARG 71 1HH2 ARG 71 -13.577 -6.538 -4.755 466 2HH2 ARG 71 2HH2 ARG 71 -14.143 -7.790 -5.810 467 H SER 72 H SER 72 -9.759 -7.225 -1.569 468 HA SER 72 HA SER 72 -11.530 -5.028 -1.379 469 1HB SER 72 1HB SER 72 -13.172 -6.644 -0.710 470 2HB SER 72 2HB SER 72 -12.169 -7.423 -1.947 471 HG SER 72 HG SER 72 -12.253 -8.952 -0.367 472 H PHE 73 H PHE 73 -10.659 -3.541 0.155 473 HA PHE 73 HA PHE 73 -10.835 -4.502 2.911 474 1HB PHE 73 1HB PHE 73 -8.740 -3.356 3.409 475 2HB PHE 73 2HB PHE 73 -8.428 -4.321 1.962 476 HD1 PHE 73 1HD PHE 73 -9.526 -0.893 2.951 477 HD2 PHE 73 2HD PHE 73 -7.411 -3.291 0.161 478 HE1 PHE 73 1HE PHE 73 -8.759 1.176 1.753 479 HE2 PHE 73 2HE PHE 73 -6.644 -1.223 -1.036 480 HZ PHE 73 HZ PHE 73 -7.328 0.986 -0.225 481 H GLU 74 H GLU 74 -11.188 -2.728 4.499 482 HA GLU 74 HA GLU 74 -12.959 -0.811 3.345 483 1HB GLU 74 1HB GLU 74 -13.271 -0.154 5.792 484 2HB GLU 74 2HB GLU 74 -13.708 -1.820 5.380 485 1HG GLU 74 1HG GLU 74 -11.956 -2.710 6.578 486 2HG GLU 74 2HG GLU 74 -10.874 -1.352 6.231 487 HE2 GLU 74 HE2 GLU 74 -12.698 0.480 8.835 488 H GLY 75 H GLY 75 -12.069 0.973 2.376 489 1HA GLY 75 1HA GLY 75 -9.566 2.065 3.367 490 2HA GLY 75 2HA GLY 75 -10.456 2.545 1.936 491 H PHE 76 H PHE 76 -9.302 4.238 4.116 492 HA PHE 76 HA PHE 76 -11.797 5.593 4.832 493 1HB PHE 76 1HB PHE 76 -9.556 4.491 6.480 494 2HB PHE 76 2HB PHE 76 -9.966 6.163 6.881 495 HD1 PHE 76 1HD PHE 76 -11.429 6.403 8.632 496 HD2 PHE 76 2HD PHE 76 -11.796 2.981 6.149 497 HE1 PHE 76 1HE PHE 76 -13.333 5.581 10.046 498 HE2 PHE 76 2HE PHE 76 -13.699 2.159 7.563 499 HZ PHE 76 HZ PHE 76 -14.445 3.468 9.495 500 H LEU 77 H LEU 77 -11.765 7.825 4.587 501 HA LEU 77 HA LEU 77 -9.830 8.929 2.932 502 1HB LEU 77 1HB LEU 77 -12.173 9.826 4.453 503 2HB LEU 77 2HB LEU 77 -10.974 11.090 4.124 504 HG LEU 77 HG LEU 77 -12.934 10.755 2.486 505 1HD1 LEU 77 1HD1 LEU 77 -10.483 11.870 2.210 506 2HD1 LEU 77 2HD1 LEU 77 -10.444 10.675 0.892 507 3HD1 LEU 77 3HD1 LEU 77 -11.741 11.892 0.951 508 1HD2 LEU 77 1HD2 LEU 77 -11.904 8.147 2.405 509 2HD2 LEU 77 2HD2 LEU 77 -13.173 8.849 1.373 510 3HD2 LEU 77 3HD2 LEU 77 -11.474 8.879 0.841 511 H PHE 78 H PHE 78 -10.261 9.094 6.519 512 HA PHE 78 HA PHE 78 -8.666 9.268 8.077 513 1HB PHE 78 1HB PHE 78 -7.165 8.575 5.915 514 2HB PHE 78 2HB PHE 78 -6.622 10.252 6.056 515 HD1 PHE 78 1HD PHE 78 -7.310 7.481 8.477 516 HD2 PHE 78 2HD PHE 78 -4.573 10.405 7.077 517 HE1 PHE 78 1HE PHE 78 -5.664 6.784 10.239 518 HE2 PHE 78 2HE PHE 78 -2.926 9.707 8.838 519 HZ PHE 78 HZ PHE 78 -3.492 7.905 10.398 520 H ASP 79 H ASP 79 -10.133 11.514 6.275 521 HA ASP 79 HA ASP 79 -8.754 13.695 7.635 522 1HB ASP 79 1HB ASP 79 -9.465 13.338 4.867 523 2HB ASP 79 2HB ASP 79 -10.430 14.677 5.507 524 HD2 ASP 79 HD2 ASP 79 -7.216 15.884 4.247 525 H GLY 80 H GLY 80 -11.848 12.249 6.461 526 1HA GLY 80 1HA GLY 80 -13.346 12.821 8.710 527 2HA GLY 80 2HA GLY 80 -13.567 14.188 7.637 528 H THR 81 H THR 81 -12.983 10.749 6.698 529 HA THR 81 HA THR 81 -15.710 10.193 6.159 530 HB THR 81 HB THR 81 -14.042 11.521 4.066 531 HG1 THR 81 1HG THR 81 -16.024 12.486 4.365 532 1HG2 THR 81 1HG2 THR 81 -15.983 9.288 3.304 533 2HG2 THR 81 2HG2 THR 81 -14.964 10.260 2.216 534 3HG2 THR 81 3HG2 THR 81 -14.219 9.055 3.293 535 H ARG 82 H ARG 82 -15.941 8.068 4.963 536 HA ARG 82 HA ARG 82 -13.553 6.518 4.880 537 1HB ARG 82 1HB ARG 82 -14.519 4.755 6.451 538 2HB ARG 82 2HB ARG 82 -13.999 6.249 7.250 539 1HG ARG 82 1HG ARG 82 -16.770 6.444 6.363 540 2HG ARG 82 2HG ARG 82 -16.548 5.018 7.392 541 1HD ARG 82 1HD ARG 82 -15.297 6.616 9.005 542 2HD ARG 82 2HD ARG 82 -15.990 7.939 8.053 543 HE ARG 82 HE ARG 82 -18.024 7.537 9.115 544 1HH1 ARG 82 1HH1 ARG 82 -16.077 4.611 9.290 545 2HH1 ARG 82 2HH1 ARG 82 -17.222 3.754 10.267 546 1HH2 ARG 82 1HH2 ARG 82 -19.535 6.407 10.404 547 2HH2 ARG 82 2HH2 ARG 82 -19.202 4.783 10.905 548 H TRP 83 H TRP 83 -13.787 4.870 3.340 549 HA TRP 83 HA TRP 83 -16.292 4.794 1.936 550 1HB TRP 83 1HB TRP 83 -13.566 3.614 1.523 551 2HB TRP 83 2HB TRP 83 -14.944 3.053 0.573 552 HD1 TRP 83 HD TRP 83 -12.222 5.308 0.088 553 HE1 TRP 83 1HE TRP 83 -12.681 7.317 -1.561 554 HE3 TRP 83 3HE TRP 83 -17.291 4.919 0.191 555 HZ2 TRP 83 2HZ TRP 83 -15.060 8.492 -2.613 556 HZ3 TRP 83 3HZ TRP 83 -18.608 6.536 -1.176 557 HH2 TRP 83 HH TRP 83 -17.572 8.277 -2.544 558 H GLY 84 H GLY 84 -14.158 2.034 2.906 559 1HA GLY 84 1HA GLY 84 -14.742 0.410 4.514 560 2HA GLY 84 2HA GLY 84 -16.435 0.822 4.325 561 H THR 85 H THR 85 -15.114 -1.843 4.101 562 HA THR 85 HA THR 85 -14.599 -3.383 2.397 563 HB THR 85 HB THR 85 -17.466 -2.941 3.166 564 HG1 THR 85 1HG THR 85 -16.818 -4.749 4.306 565 1HG2 THR 85 1HG2 THR 85 -17.718 -5.304 1.861 566 2HG2 THR 85 2HG2 THR 85 -18.161 -3.762 1.090 567 3HG2 THR 85 3HG2 THR 85 -16.582 -4.507 0.746 568 H VAL 86 H VAL 86 -13.501 -1.935 0.842 569 HA VAL 86 HA VAL 86 -15.198 -1.637 -1.538 570 HB VAL 86 HB VAL 86 -14.570 0.505 -0.315 571 1HG1 VAL 86 1HG1 VAL 86 -11.966 -0.627 -0.547 572 2HG1 VAL 86 2HG1 VAL 86 -12.008 0.838 -1.557 573 3HG1 VAL 86 3HG1 VAL 86 -12.436 0.933 0.169 574 1HG2 VAL 86 1HG2 VAL 86 -15.310 1.084 -2.371 575 2HG2 VAL 86 2HG2 VAL 86 -13.590 1.410 -2.693 576 3HG2 VAL 86 3HG2 VAL 86 -14.311 -0.140 -3.192 577 H ASP 87 H ASP 87 -14.181 -2.130 -3.556 578 HA ASP 87 HA ASP 87 -12.104 -4.055 -3.225 579 1HB ASP 87 1HB ASP 87 -12.893 -3.191 -5.963 580 2HB ASP 87 2HB ASP 87 -12.758 -4.827 -5.299 581 HD2 ASP 87 HD2 ASP 87 -16.274 -3.363 -5.776 582 H CYS 88 H CYS 88 -9.924 -3.505 -3.385 583 HA CYS 88 HA CYS 88 -9.152 -0.890 -4.049 584 1HB CYS 88 1HB CYS 88 -7.530 -1.614 -2.757 585 2HB CYS 88 2HB CYS 88 -7.907 -3.319 -3.063 586 H THR 89 H THR 89 -9.342 -4.026 -5.783 587 HA THR 89 HA THR 89 -7.840 -3.307 -8.035 588 HB THR 89 HB THR 89 -8.485 -5.634 -7.387 589 HG1 THR 89 1HG THR 89 -8.121 -4.837 -9.682 590 1HG2 THR 89 1HG2 THR 89 -11.267 -4.747 -8.319 591 2HG2 THR 89 2HG2 THR 89 -10.785 -6.422 -7.955 592 3HG2 THR 89 3HG2 THR 89 -10.844 -5.209 -6.654 593 H THR 90 H THR 90 -11.040 -2.348 -6.967 594 HA THR 90 HA THR 90 -11.910 -1.579 -9.597 595 HB THR 90 HB THR 90 -12.930 -1.374 -6.742 596 HG1 THR 90 1HG THR 90 -13.182 -3.281 -8.198 597 1HG2 THR 90 1HG2 THR 90 -14.882 -0.164 -7.476 598 2HG2 THR 90 2HG2 THR 90 -13.502 0.781 -8.081 599 3HG2 THR 90 3HG2 THR 90 -14.402 -0.286 -9.185 600 H ALA 91 H ALA 91 -9.974 -0.179 -7.031 601 HA ALA 91 HA ALA 91 -9.972 2.328 -8.565 602 1HB ALA 91 1HB ALA 91 -10.238 3.583 -6.665 603 2HB ALA 91 2HB ALA 91 -11.093 2.122 -6.114 604 3HB ALA 91 3HB ALA 91 -9.401 2.397 -5.634 605 H ALA 92 H ALA 92 -8.311 -0.205 -8.676 606 HA ALA 92 HA ALA 92 -6.168 -0.883 -8.362 607 1HB ALA 92 1HB ALA 92 -6.335 1.588 -10.039 608 2HB ALA 92 2HB ALA 92 -4.709 0.995 -9.623 609 3HB ALA 92 3HB ALA 92 -5.850 -0.065 -10.486 610 H CYS 93 H CYS 93 -6.633 -0.344 -5.882 611 HA CYS 93 HA CYS 93 -5.602 1.899 -4.704 612 1HB CYS 93 1HB CYS 93 -5.783 0.815 -2.714 613 2HB CYS 93 2HB CYS 93 -6.912 -0.109 -3.723 614 H GLN 94 H GLN 94 -3.536 1.301 -2.967 615 HA GLN 94 HA GLN 94 -1.404 0.272 -4.646 616 1HB GLN 94 1HB GLN 94 0.032 2.150 -4.216 617 2HB GLN 94 2HB GLN 94 -1.501 2.800 -4.825 618 1HG GLN 94 1HG GLN 94 -1.693 2.553 -1.966 619 2HG GLN 94 2HG GLN 94 -0.167 3.372 -2.338 620 1HE2 GLN 94 1HE2 GLN 94 -3.648 3.349 -2.933 621 2HE2 GLN 94 2HE2 GLN 94 -3.843 5.042 -3.242 622 H VAL 95 H VAL 95 0.411 -0.599 -3.448 623 HA VAL 95 HA VAL 95 0.062 -0.655 -0.548 624 HB VAL 95 HB VAL 95 -1.069 -2.626 -1.453 625 1HG1 VAL 95 1HG1 VAL 95 0.505 -2.696 -3.515 626 2HG1 VAL 95 2HG1 VAL 95 1.573 -3.665 -2.471 627 3HG1 VAL 95 3HG1 VAL 95 -0.076 -4.232 -2.828 628 1HG2 VAL 95 1HG2 VAL 95 -0.387 -3.817 0.315 629 2HG2 VAL 95 2HG2 VAL 95 1.252 -4.013 -0.350 630 3HG2 VAL 95 3HG2 VAL 95 0.836 -2.550 0.574 631 H GLY 96 H GLY 96 1.886 0.422 0.062 632 1HA GLY 96 1HA GLY 96 4.438 -0.635 -0.974 633 2HA GLY 96 2HA GLY 96 4.126 1.090 -0.963 634 H LEU 97 H LEU 97 6.054 1.208 0.484 635 HA LEU 97 HA LEU 97 5.585 0.174 3.165 636 1HB LEU 97 1HB LEU 97 7.902 0.969 1.547 637 2HB LEU 97 2HB LEU 97 7.993 1.425 3.256 638 HG LEU 97 HG LEU 97 9.060 -0.638 3.163 639 1HD1 LEU 97 1HD1 LEU 97 6.923 -0.413 4.728 640 2HD1 LEU 97 2HD1 LEU 97 6.374 -1.792 3.747 641 3HD1 LEU 97 3HD1 LEU 97 7.898 -1.901 4.660 642 1HD2 LEU 97 1HD2 LEU 97 8.497 -1.197 0.853 643 2HD2 LEU 97 2HD2 LEU 97 8.267 -2.595 1.930 644 3HD2 LEU 97 3HD2 LEU 97 6.857 -1.672 1.357 645 H SER 98 H SER 98 5.899 1.637 5.051 646 HA SER 98 HA SER 98 5.526 4.424 4.450 647 1HB SER 98 1HB SER 98 3.319 2.715 5.096 648 2HB SER 98 2HB SER 98 3.591 3.785 6.484 649 HG SER 98 HG SER 98 2.149 4.496 4.566 650 H ASP 99 H ASP 99 6.144 5.793 6.235 651 HA ASP 99 HA ASP 99 7.978 4.580 7.963 652 1HB ASP 99 1HB ASP 99 6.882 7.274 8.650 653 2HB ASP 99 2HB ASP 99 8.569 6.751 8.520 654 HD2 ASP 99 HD2 ASP 99 8.746 8.433 5.563 655 H ALA 100 H ALA 100 7.806 5.290 10.494 656 HA ALA 100 HA ALA 100 5.573 3.927 11.532 657 1HB ALA 100 1HB ALA 100 6.566 4.435 13.675 658 2HB ALA 100 2HB ALA 100 7.889 4.094 12.533 659 3HB ALA 100 3HB ALA 100 7.509 5.775 12.979 660 H ALA 101 H ALA 101 5.853 7.026 10.191 661 HA ALA 101 HA ALA 101 3.602 7.978 11.826 662 1HB ALA 101 1HB ALA 101 5.996 9.366 10.622 663 2HB ALA 101 2HB ALA 101 4.483 10.268 10.877 664 3HB ALA 101 3HB ALA 101 5.311 9.510 12.258 665 H GLY 102 H GLY 102 4.663 6.776 8.800 666 1HA GLY 102 1HA GLY 102 3.504 6.436 6.891 667 2HA GLY 102 2HA GLY 102 2.102 7.201 7.613 668 H ASN 103 H ASN 103 5.452 8.477 7.031 669 HA ASN 103 HA ASN 103 4.639 10.976 6.346 670 1HB ASN 103 1HB ASN 103 6.873 11.344 5.685 671 2HB ASN 103 2HB ASN 103 7.043 9.938 6.745 672 1HD2 ASN 103 1HD2 ASN 103 8.951 10.552 4.897 673 2HD2 ASN 103 2HD2 ASN 103 8.981 9.381 3.621 674 H GLY 104 H GLY 104 5.893 11.506 3.770 675 1HA GLY 104 1HA GLY 104 4.017 11.525 1.937 676 2HA GLY 104 2HA GLY 104 5.679 11.162 1.513 677 HA PRO 105 HA PRO 105 2.990 7.224 1.551 678 1HB PRO 105 1HB PRO 105 0.455 7.608 0.606 679 2HB PRO 105 2HB PRO 105 0.836 7.485 2.322 680 1HG PRO 105 1HG PRO 105 0.217 9.857 0.681 681 2HG PRO 105 2HG PRO 105 0.124 9.675 2.469 682 1HD PRO 105 1HD PRO 105 2.108 11.038 0.918 683 2HD PRO 105 2HD PRO 105 2.148 10.750 2.662 684 H GLU 106 H GLU 106 1.191 6.443 -0.537 685 HA GLU 106 HA GLU 106 1.059 6.405 -2.770 686 1HB GLU 106 1HB GLU 106 2.441 8.668 -2.686 687 2HB GLU 106 2HB GLU 106 3.777 7.632 -3.217 688 1HG GLU 106 1HG GLU 106 2.763 7.154 -5.260 689 2HG GLU 106 2HG GLU 106 1.125 7.418 -4.642 690 HE2 GLU 106 HE2 GLU 106 3.180 10.471 -6.103 691 H GLY 107 H GLY 107 1.655 4.255 -1.335 692 1HA GLY 107 1HA GLY 107 4.100 3.027 -1.470 693 2HA GLY 107 2HA GLY 107 2.556 2.200 -1.501 694 H VAL 108 H VAL 108 1.607 1.543 -3.520 695 HA VAL 108 HA VAL 108 2.905 2.204 -5.974 696 HB VAL 108 HB VAL 108 4.479 0.563 -5.008 697 1HG1 VAL 108 1HG1 VAL 108 2.177 -0.756 -4.145 698 2HG1 VAL 108 2HG1 VAL 108 2.818 -1.794 -5.440 699 3HG1 VAL 108 3HG1 VAL 108 3.849 -1.361 -4.055 700 1HG2 VAL 108 1HG2 VAL 108 4.847 0.284 -7.200 701 2HG2 VAL 108 2HG2 VAL 108 3.846 -1.183 -7.077 702 3HG2 VAL 108 3HG2 VAL 108 3.110 0.357 -7.582 703 H ALA 109 H ALA 109 1.032 2.684 -7.026 704 HA ALA 109 HA ALA 109 -1.383 1.304 -6.467 705 1HB ALA 109 1HB ALA 109 -2.331 2.951 -7.749 706 2HB ALA 109 2HB ALA 109 -0.761 3.740 -7.463 707 3HB ALA 109 3HB ALA 109 -1.056 2.871 -8.988 708 H ILE 110 H ILE 110 -1.597 -0.827 -6.981 709 HA ILE 110 HA ILE 110 -0.862 -1.560 -9.724 710 HB ILE 110 HB ILE 110 -0.050 -2.806 -7.154 711 1HG1 ILE 110 1HG1 ILE 110 1.279 -2.831 -9.863 712 2HG1 ILE 110 2HG1 ILE 110 1.456 -1.493 -8.713 713 1HG2 ILE 110 1HG2 ILE 110 0.332 -4.930 -8.747 714 2HG2 ILE 110 2HG2 ILE 110 -1.103 -4.730 -7.714 715 3HG2 ILE 110 3HG2 ILE 110 -1.188 -4.318 -9.443 716 1HD1 ILE 110 1HD1 ILE 110 3.262 -3.352 -8.680 717 2HD1 ILE 110 2HD1 ILE 110 2.555 -2.886 -7.114 718 3HD1 ILE 110 3HD1 ILE 110 2.017 -4.376 -7.925 719 H SER 111 H SER 111 -2.212 -3.216 -10.683 720 HA SER 111 HA SER 111 -4.884 -2.961 -9.772 721 1HB SER 111 1HB SER 111 -3.612 -3.489 -12.205 722 2HB SER 111 2HB SER 111 -4.432 -5.014 -11.827 723 HG SER 111 HG SER 111 -5.503 -2.436 -12.389 724 H PHE 112 H PHE 112 -5.435 -4.094 -7.921 725 HA PHE 112 HA PHE 112 -4.242 -6.642 -7.387 726 1HB PHE 112 1HB PHE 112 -6.430 -4.880 -6.158 727 2HB PHE 112 2HB PHE 112 -5.976 -6.427 -5.436 728 HD1 PHE 112 1HD PHE 112 -3.441 -4.320 -7.009 729 HD2 PHE 112 2HD PHE 112 -5.347 -5.326 -3.354 730 HE1 PHE 112 1HE PHE 112 -1.609 -3.169 -5.737 731 HE2 PHE 112 2HE PHE 112 -3.515 -4.175 -2.082 732 HZ PHE 112 HZ PHE 112 -1.669 -3.111 -3.288 733 H ASN 113 H ASN 113 -6.452 -5.836 -9.650 734 HA ASN 113 HA ASN 113 -8.160 -6.777 -10.614 735 1HB ASN 113 1HB ASN 113 -6.207 -8.785 -10.127 736 2HB ASN 113 2HB ASN 113 -7.760 -9.559 -9.781 737 1HD2 ASN 113 1HD2 ASN 113 -6.826 -10.774 -11.707 738 2HD2 ASN 113 2HD2 ASN 113 -7.328 -10.260 -13.283 Start of MODEL 16 1 H ALA 1 H ALA 1 8.988 10.205 -4.560 2 HA ALA 1 HA ALA 1 9.115 10.928 -6.692 3 1HB ALA 1 1HB ALA 1 11.757 12.295 -6.370 4 2HB ALA 1 2HB ALA 1 10.320 12.790 -7.297 5 3HB ALA 1 3HB ALA 1 10.360 13.011 -5.531 6 H ALA 2 H ALA 2 12.544 10.539 -5.534 7 HA ALA 2 HA ALA 2 13.087 8.742 -7.694 8 1HB ALA 2 1HB ALA 2 15.116 8.693 -5.670 9 2HB ALA 2 2HB ALA 2 15.152 9.500 -7.255 10 3HB ALA 2 3HB ALA 2 14.535 10.368 -5.829 11 HA PRO 3 HA PRO 3 13.072 5.660 -4.112 12 1HB PRO 3 1HB PRO 3 12.293 6.446 -1.614 13 2HB PRO 3 2HB PRO 3 13.981 6.370 -2.119 14 1HG PRO 3 1HG PRO 3 12.202 8.701 -1.791 15 2HG PRO 3 2HG PRO 3 14.002 8.659 -1.831 16 1HD PRO 3 1HD PRO 3 12.196 9.520 -3.878 17 2HD PRO 3 2HD PRO 3 13.950 9.346 -4.023 18 H THR 4 H THR 4 11.542 4.076 -3.520 19 HA THR 4 HA THR 4 8.923 4.673 -2.884 20 HB THR 4 HB THR 4 8.218 3.948 -5.469 21 HG1 THR 4 1HG THR 4 9.950 4.570 -6.694 22 1HG2 THR 4 1HG2 THR 4 8.012 6.298 -3.813 23 2HG2 THR 4 2HG2 THR 4 8.544 6.827 -5.428 24 3HG2 THR 4 3HG2 THR 4 7.041 5.892 -5.248 25 H ALA 5 H ALA 5 7.563 2.783 -2.790 26 HA ALA 5 HA ALA 5 9.183 0.342 -3.007 27 1HB ALA 5 1HB ALA 5 6.705 0.357 -1.366 28 2HB ALA 5 2HB ALA 5 8.311 -0.327 -1.011 29 3HB ALA 5 3HB ALA 5 8.016 1.413 -0.785 30 H THR 6 H THR 6 8.340 -1.467 -4.086 31 HA THR 6 HA THR 6 5.640 -1.283 -5.148 32 HB THR 6 HB THR 6 6.306 -1.282 -7.436 33 HG1 THR 6 1HG THR 6 8.918 -1.901 -6.246 34 1HG2 THR 6 1HG2 THR 6 8.002 0.506 -7.738 35 2HG2 THR 6 2HG2 THR 6 6.889 0.953 -6.422 36 3HG2 THR 6 3HG2 THR 6 8.512 0.327 -6.041 37 H VAL 7 H VAL 7 4.945 -3.343 -6.177 38 HA VAL 7 HA VAL 7 6.288 -5.548 -4.790 39 HB VAL 7 HB VAL 7 3.805 -4.833 -4.445 40 1HG1 VAL 7 1HG1 VAL 7 2.728 -4.768 -6.449 41 2HG1 VAL 7 2HG1 VAL 7 3.788 -5.992 -7.186 42 3HG1 VAL 7 3HG1 VAL 7 2.477 -6.493 -6.094 43 1HG2 VAL 7 1HG2 VAL 7 4.991 -6.873 -3.550 44 2HG2 VAL 7 2HG2 VAL 7 3.241 -7.069 -3.811 45 3HG2 VAL 7 3HG2 VAL 7 4.397 -7.759 -4.976 46 H THR 8 H THR 8 6.016 -7.737 -6.035 47 HA THR 8 HA THR 8 7.491 -7.562 -8.380 48 HB THR 8 HB THR 8 6.056 -9.607 -6.763 49 HG1 THR 8 1HG THR 8 8.205 -10.184 -6.757 50 1HG2 THR 8 1HG2 THR 8 6.128 -11.348 -8.457 51 2HG2 THR 8 2HG2 THR 8 5.162 -10.021 -9.146 52 3HG2 THR 8 3HG2 THR 8 6.857 -10.241 -9.645 53 HA PRO 9 HA PRO 9 3.532 -8.044 -10.834 54 1HB PRO 9 1HB PRO 9 1.104 -8.216 -9.597 55 2HB PRO 9 2HB PRO 9 2.035 -9.627 -10.091 56 1HG PRO 9 1HG PRO 9 1.655 -8.447 -7.414 57 2HG PRO 9 2HG PRO 9 2.185 -10.114 -7.841 58 1HD PRO 9 1HD PRO 9 3.773 -7.935 -6.878 59 2HD PRO 9 2HD PRO 9 4.364 -9.505 -7.436 60 H SER 10 H SER 10 1.743 -6.662 -11.733 61 HA SER 10 HA SER 10 1.763 -4.144 -10.278 62 1HB SER 10 1HB SER 10 3.410 -3.903 -12.042 63 2HB SER 10 2HB SER 10 2.284 -4.536 -13.256 64 HG SER 10 HG SER 10 2.076 -2.054 -11.778 65 H SER 11 H SER 11 0.003 -6.698 -11.439 66 HA SER 11 HA SER 11 -2.421 -5.485 -11.081 67 1HB SER 11 1HB SER 11 -3.331 -5.412 -13.384 68 2HB SER 11 2HB SER 11 -2.007 -4.252 -13.167 69 HG SER 11 HG SER 11 -0.885 -5.273 -14.677 70 H GLY 12 H GLY 12 -4.187 -7.053 -11.300 71 1HA GLY 12 1HA GLY 12 -5.098 -9.110 -11.705 72 2HA GLY 12 2HA GLY 12 -3.592 -9.658 -12.417 73 H LEU 13 H LEU 13 -3.671 -8.031 -9.243 74 HA LEU 13 HA LEU 13 -2.382 -10.264 -8.043 75 1HB LEU 13 1HB LEU 13 -3.548 -8.002 -6.491 76 2HB LEU 13 2HB LEU 13 -2.036 -8.892 -6.236 77 HG LEU 13 HG LEU 13 -2.641 -6.597 -8.067 78 1HD1 LEU 13 1HD1 LEU 13 -1.588 -5.707 -6.275 79 2HD1 LEU 13 2HD1 LEU 13 -0.764 -7.229 -5.857 80 3HD1 LEU 13 3HD1 LEU 13 -0.136 -6.208 -7.174 81 1HD2 LEU 13 1HD2 LEU 13 -0.662 -8.796 -8.604 82 2HD2 LEU 13 2HD2 LEU 13 -1.771 -7.966 -9.722 83 3HD2 LEU 13 3HD2 LEU 13 -0.325 -7.125 -9.113 84 H SER 14 H SER 14 -3.925 -9.730 -5.423 85 HA SER 14 HA SER 14 -6.516 -10.738 -5.984 86 1HB SER 14 1HB SER 14 -4.511 -12.657 -5.824 87 2HB SER 14 2HB SER 14 -5.174 -12.649 -4.181 88 HG SER 14 HG SER 14 -6.378 -13.394 -6.649 89 H ASP 15 H ASP 15 -7.591 -11.372 -3.704 90 HA ASP 15 HA ASP 15 -7.327 -9.117 -2.119 91 1HB ASP 15 1HB ASP 15 -8.790 -10.409 -0.512 92 2HB ASP 15 2HB ASP 15 -9.416 -10.340 -2.167 93 HD2 ASP 15 HD2 ASP 15 -8.215 -13.841 -2.376 94 H GLY 16 H GLY 16 -5.287 -8.811 -1.117 95 1HA GLY 16 1HA GLY 16 -3.813 -9.082 0.592 96 2HA GLY 16 2HA GLY 16 -4.609 -10.571 1.058 97 H THR 17 H THR 17 -3.396 -9.812 -2.244 98 HA THR 17 HA THR 17 -2.019 -12.271 -2.412 99 HB THR 17 HB THR 17 -2.626 -9.888 -4.068 100 HG1 THR 17 1HG THR 17 -3.270 -12.354 -3.985 101 1HG2 THR 17 1HG2 THR 17 -0.349 -9.583 -4.601 102 2HG2 THR 17 2HG2 THR 17 0.064 -11.273 -4.223 103 3HG2 THR 17 3HG2 THR 17 -0.783 -10.881 -5.738 104 H VAL 18 H VAL 18 -0.672 -12.384 -0.540 105 HA VAL 18 HA VAL 18 1.307 -10.413 -0.080 106 HB VAL 18 HB VAL 18 1.369 -13.279 0.842 107 1HG1 VAL 18 1HG1 VAL 18 2.001 -11.452 2.904 108 2HG1 VAL 18 2HG1 VAL 18 3.105 -12.544 2.034 109 3HG1 VAL 18 3HG1 VAL 18 2.854 -10.881 1.450 110 1HG2 VAL 18 1HG2 VAL 18 -0.548 -11.099 1.576 111 2HG2 VAL 18 2HG2 VAL 18 -0.804 -12.856 1.455 112 3HG2 VAL 18 3HG2 VAL 18 0.048 -12.175 2.863 113 H VAL 19 H VAL 19 2.572 -9.991 -1.893 114 HA VAL 19 HA VAL 19 4.089 -12.305 -2.886 115 HB VAL 19 HB VAL 19 4.343 -10.692 -4.925 116 1HG1 VAL 19 1HG1 VAL 19 2.204 -12.608 -4.180 117 2HG1 VAL 19 2HG1 VAL 19 1.869 -11.578 -5.593 118 3HG1 VAL 19 3HG1 VAL 19 3.321 -12.609 -5.567 119 1HG2 VAL 19 1HG2 VAL 19 1.580 -9.792 -4.246 120 2HG2 VAL 19 2HG2 VAL 19 2.935 -8.953 -3.454 121 3HG2 VAL 19 3HG2 VAL 19 2.835 -9.003 -5.230 122 H LYS 20 H LYS 20 6.231 -11.316 -4.041 123 HA LYS 20 HA LYS 20 7.713 -10.241 -1.881 124 1HB LYS 20 1HB LYS 20 8.228 -11.644 -4.241 125 2HB LYS 20 2HB LYS 20 9.058 -10.092 -4.446 126 1HG LYS 20 1HG LYS 20 10.328 -10.402 -2.446 127 2HG LYS 20 2HG LYS 20 9.292 -11.728 -1.889 128 1HD LYS 20 1HD LYS 20 10.072 -12.886 -4.131 129 2HD LYS 20 2HD LYS 20 11.408 -11.724 -4.054 130 1HE LYS 20 1HE LYS 20 12.434 -12.924 -2.438 131 2HE LYS 20 2HE LYS 20 10.968 -12.973 -1.448 132 1HZ LYS 20 1HZ LYS 20 11.054 -15.121 -1.966 133 2HZ LYS 20 2HZ LYS 20 10.393 -14.684 -3.394 134 3HZ LYS 20 3HZ LYS 20 12.007 -14.915 -3.276 135 H VAL 21 H VAL 21 8.773 -8.185 -1.725 136 HA VAL 21 HA VAL 21 7.900 -6.156 -3.614 137 HB VAL 21 HB VAL 21 6.243 -6.402 -1.680 138 1HG1 VAL 21 1HG1 VAL 21 7.022 -6.349 0.408 139 2HG1 VAL 21 2HG1 VAL 21 8.669 -6.026 -0.183 140 3HG1 VAL 21 3HG1 VAL 21 7.561 -4.673 0.145 141 1HG2 VAL 21 1HG2 VAL 21 6.064 -3.903 -1.422 142 2HG2 VAL 21 2HG2 VAL 21 7.600 -3.764 -2.311 143 3HG2 VAL 21 3HG2 VAL 21 6.173 -4.475 -3.104 144 H ALA 22 H ALA 22 9.285 -4.283 -3.619 145 HA ALA 22 HA ALA 22 11.533 -4.287 -1.809 146 1HB ALA 22 1HB ALA 22 12.237 -5.897 -3.547 147 2HB ALA 22 2HB ALA 22 11.904 -4.684 -4.806 148 3HB ALA 22 3HB ALA 22 13.202 -4.404 -3.621 149 H GLY 23 H GLY 23 12.717 -2.248 -1.903 150 1HA GLY 23 1HA GLY 23 13.045 -0.099 -2.803 151 2HA GLY 23 2HA GLY 23 11.479 -0.178 -3.586 152 H ALA 24 H ALA 24 11.789 2.106 -2.282 153 HA ALA 24 HA ALA 24 9.773 2.532 -0.679 154 1HB ALA 24 1HB ALA 24 11.895 1.082 0.896 155 2HB ALA 24 2HB ALA 24 10.897 2.318 1.698 156 3HB ALA 24 3HB ALA 24 10.125 0.900 0.947 157 H GLY 25 H GLY 25 11.008 3.988 1.569 158 1HA GLY 25 1HA GLY 25 11.685 6.368 0.238 159 2HA GLY 25 2HA GLY 25 11.859 6.032 1.949 160 H LEU 26 H LEU 26 13.499 3.539 0.443 161 HA LEU 26 HA LEU 26 15.659 3.041 0.376 162 1HB LEU 26 1HB LEU 26 15.459 3.950 -1.785 163 2HB LEU 26 2HB LEU 26 15.588 5.614 -1.189 164 HG LEU 26 HG LEU 26 17.963 4.464 -0.362 165 1HD1 LEU 26 1HD1 LEU 26 18.884 3.118 -2.023 166 2HD1 LEU 26 2HD1 LEU 26 17.230 2.482 -1.847 167 3HD1 LEU 26 3HD1 LEU 26 17.632 3.551 -3.212 168 1HD2 LEU 26 1HD2 LEU 26 17.059 6.404 -2.361 169 2HD2 LEU 26 2HD2 LEU 26 18.409 6.482 -1.204 170 3HD2 LEU 26 3HD2 LEU 26 18.619 5.646 -2.761 171 H GLN 27 H GLN 27 15.258 3.627 2.871 172 HA GLN 27 HA GLN 27 16.807 5.902 3.659 173 1HB GLN 27 1HB GLN 27 14.815 5.399 4.929 174 2HB GLN 27 2HB GLN 27 15.351 3.739 5.236 175 1HG GLN 27 1HG GLN 27 16.660 4.380 6.973 176 2HG GLN 27 2HG GLN 27 17.323 5.765 6.090 177 1HE2 GLN 27 1HE2 GLN 27 16.837 7.671 6.842 178 2HE2 GLN 27 2HE2 GLN 27 15.460 8.108 7.798 179 H ALA 28 H ALA 28 17.027 2.910 5.542 180 HA ALA 28 HA ALA 28 19.312 1.790 4.503 181 1HB ALA 28 1HB ALA 28 20.806 2.836 6.511 182 2HB ALA 28 2HB ALA 28 20.787 3.501 4.860 183 3HB ALA 28 3HB ALA 28 19.784 4.242 6.130 184 H GLY 29 H GLY 29 18.352 -0.125 5.184 185 1HA GLY 29 1HA GLY 29 17.550 -1.690 6.601 186 2HA GLY 29 2HA GLY 29 18.916 -1.220 7.592 187 H THR 30 H THR 30 16.400 1.168 6.866 188 HA THR 30 HA THR 30 15.707 1.198 9.699 189 HB THR 30 HB THR 30 15.213 3.104 7.353 190 HG1 THR 30 1HG THR 30 17.409 2.761 8.386 191 1HG2 THR 30 1HG2 THR 30 13.482 3.758 8.815 192 2HG2 THR 30 2HG2 THR 30 14.327 3.131 10.249 193 3HG2 THR 30 3HG2 THR 30 14.853 4.659 9.505 194 H ALA 31 H ALA 31 13.459 1.361 10.404 195 HA ALA 31 HA ALA 31 11.924 -0.697 9.241 196 1HB ALA 31 1HB ALA 31 10.174 0.370 10.891 197 2HB ALA 31 2HB ALA 31 11.628 -0.426 11.541 198 3HB ALA 31 3HB ALA 31 11.560 1.349 11.428 199 H TYR 32 H TYR 32 9.908 -0.578 8.107 200 HA TYR 32 HA TYR 32 9.150 2.056 7.114 201 1HB TYR 32 1HB TYR 32 10.338 -0.319 5.667 202 2HB TYR 32 2HB TYR 32 8.995 0.481 4.847 203 HD1 TYR 32 1HD TYR 32 12.078 0.216 4.139 204 HD2 TYR 32 2HD TYR 32 9.651 3.327 5.795 205 HE1 TYR 32 1HE TYR 32 13.687 1.964 3.233 206 HE2 TYR 32 2HE TYR 32 11.268 5.064 4.884 207 HH TYR 32 HH TYR 32 13.073 5.427 3.765 208 H ASP 33 H ASP 33 7.347 1.585 8.635 209 HA ASP 33 HA ASP 33 5.778 -0.584 8.610 210 1HB ASP 33 1HB ASP 33 5.599 2.128 9.473 211 2HB ASP 33 2HB ASP 33 4.080 1.778 8.636 212 HD2 ASP 33 HD2 ASP 33 2.993 0.511 11.620 213 H VAL 34 H VAL 34 4.632 -1.606 6.961 214 HA VAL 34 HA VAL 34 4.396 -0.471 4.412 215 HB VAL 34 HB VAL 34 3.014 -2.822 5.718 216 1HG1 VAL 34 1HG1 VAL 34 3.135 -1.960 2.814 217 2HG1 VAL 34 2HG1 VAL 34 2.695 -3.603 3.338 218 3HG1 VAL 34 3HG1 VAL 34 1.691 -2.216 3.823 219 1HG2 VAL 34 1HG2 VAL 34 4.716 -4.185 4.694 220 2HG2 VAL 34 2HG2 VAL 34 5.401 -2.780 3.845 221 3HG2 VAL 34 3HG2 VAL 34 5.518 -2.892 5.618 222 H GLY 35 H GLY 35 2.550 0.317 3.266 223 1HA GLY 35 1HA GLY 35 0.260 1.065 4.975 224 2HA GLY 35 2HA GLY 35 1.076 2.255 3.979 225 H GLN 36 H GLN 36 -1.744 0.951 3.954 226 HA GLN 36 HA GLN 36 -1.664 0.369 1.105 227 1HB GLN 36 1HB GLN 36 -2.675 -1.327 3.308 228 2HB GLN 36 2HB GLN 36 -3.810 -1.140 1.959 229 1HG GLN 36 1HG GLN 36 -1.167 -1.566 0.895 230 2HG GLN 36 2HG GLN 36 -1.475 -2.808 2.117 231 1HE2 GLN 36 1HE2 GLN 36 -3.388 -1.051 -0.328 232 2HE2 GLN 36 2HE2 GLN 36 -4.103 -2.436 -1.083 233 H CYS 37 H CYS 37 -2.877 1.856 0.022 234 HA CYS 37 HA CYS 37 -5.247 2.869 1.406 235 1HB CYS 37 1HB CYS 37 -3.509 4.577 -0.351 236 2HB CYS 37 2HB CYS 37 -4.844 5.087 0.697 237 H ALA 38 H ALA 38 -6.721 4.018 -0.371 238 HA ALA 38 HA ALA 38 -6.464 2.587 -2.916 239 1HB ALA 38 1HB ALA 38 -8.048 1.228 -1.852 240 2HB ALA 38 2HB ALA 38 -8.773 2.592 -0.968 241 3HB ALA 38 3HB ALA 38 -9.068 2.405 -2.713 242 H TRP 39 H TRP 39 -6.230 4.150 -4.433 243 HA TRP 39 HA TRP 39 -7.224 6.798 -3.903 244 1HB TRP 39 1HB TRP 39 -5.920 7.495 -5.642 245 2HB TRP 39 2HB TRP 39 -5.008 6.110 -5.037 246 HD1 TRP 39 HD TRP 39 -4.978 3.895 -6.655 247 HE1 TRP 39 1HE TRP 39 -5.389 3.496 -9.231 248 HE3 TRP 39 3HE TRP 39 -7.317 8.329 -7.503 249 HZ2 TRP 39 2HZ TRP 39 -6.620 5.045 -11.288 250 HZ3 TRP 39 3HZ TRP 39 -8.092 8.808 -9.823 251 HH2 TRP 39 HH TRP 39 -7.776 7.251 -11.681 252 H VAL 40 H VAL 40 -9.375 7.209 -4.202 253 HA VAL 40 HA VAL 40 -10.921 5.536 -5.943 254 HB VAL 40 HB VAL 40 -11.600 8.000 -4.326 255 1HG1 VAL 40 1HG1 VAL 40 -13.665 7.979 -5.179 256 2HG1 VAL 40 2HG1 VAL 40 -13.075 6.833 -6.408 257 3HG1 VAL 40 3HG1 VAL 40 -13.823 6.226 -4.911 258 1HG2 VAL 40 1HG2 VAL 40 -11.475 6.631 -2.566 259 2HG2 VAL 40 2HG2 VAL 40 -12.849 5.727 -3.246 260 3HG2 VAL 40 3HG2 VAL 40 -11.181 5.220 -3.609 261 H ASP 41 H ASP 41 -11.924 8.836 -6.027 262 HA ASP 41 HA ASP 41 -11.331 8.866 -8.838 263 1HB ASP 41 1HB ASP 41 -13.367 9.919 -7.113 264 2HB ASP 41 2HB ASP 41 -12.593 11.299 -7.911 265 HD2 ASP 41 HD2 ASP 41 -13.665 9.272 -10.941 266 H THR 42 H THR 42 -9.047 9.097 -7.064 267 HA THR 42 HA THR 42 -7.193 10.310 -6.848 268 HB THR 42 HB THR 42 -8.606 11.532 -9.137 269 HG1 THR 42 1HG THR 42 -6.309 11.394 -9.810 270 1HG2 THR 42 1HG2 THR 42 -7.061 13.514 -9.222 271 2HG2 THR 42 2HG2 THR 42 -8.235 13.653 -7.892 272 3HG2 THR 42 3HG2 THR 42 -6.557 13.169 -7.551 273 H GLY 43 H GLY 43 -9.971 12.649 -6.910 274 1HA GLY 43 1HA GLY 43 -8.929 14.369 -4.978 275 2HA GLY 43 2HA GLY 43 -10.619 14.184 -5.403 276 H VAL 44 H VAL 44 -10.128 11.112 -4.673 277 HA VAL 44 HA VAL 44 -10.245 11.494 -1.766 278 HB VAL 44 HB VAL 44 -12.058 9.775 -3.472 279 1HG1 VAL 44 1HG1 VAL 44 -11.782 10.077 -0.471 280 2HG1 VAL 44 2HG1 VAL 44 -13.254 9.441 -1.245 281 3HG1 VAL 44 3HG1 VAL 44 -11.703 8.591 -1.448 282 1HG2 VAL 44 1HG2 VAL 44 -13.726 11.322 -3.228 283 2HG2 VAL 44 2HG2 VAL 44 -13.090 11.934 -1.682 284 3HG2 VAL 44 3HG2 VAL 44 -12.324 12.419 -3.215 285 H LEU 45 H LEU 45 -9.080 10.011 -0.572 286 HA LEU 45 HA LEU 45 -8.072 7.672 -1.999 287 1HB LEU 45 1HB LEU 45 -6.504 9.748 -1.978 288 2HB LEU 45 2HB LEU 45 -6.199 9.270 -0.299 289 HG LEU 45 HG LEU 45 -5.964 7.111 -2.309 290 1HD1 LEU 45 1HD1 LEU 45 -5.000 8.763 -3.699 291 2HD1 LEU 45 2HD1 LEU 45 -4.123 9.507 -2.341 292 3HD1 LEU 45 3HD1 LEU 45 -3.640 7.902 -2.939 293 1HD2 LEU 45 1HD2 LEU 45 -4.087 8.007 -0.108 294 2HD2 LEU 45 2HD2 LEU 45 -5.445 6.880 0.120 295 3HD2 LEU 45 3HD2 LEU 45 -4.099 6.444 -0.958 296 H ALA 46 H ALA 46 -9.116 6.101 -0.859 297 HA ALA 46 HA ALA 46 -9.555 6.419 1.959 298 1HB ALA 46 1HB ALA 46 -10.943 4.568 1.733 299 2HB ALA 46 2HB ALA 46 -10.994 5.233 0.083 300 3HB ALA 46 3HB ALA 46 -9.946 3.841 0.450 301 H CYS 47 H CYS 47 -7.536 6.525 2.996 302 HA CYS 47 HA CYS 47 -5.556 4.551 2.393 303 1HB CYS 47 1HB CYS 47 -5.523 7.086 3.437 304 2HB CYS 47 2HB CYS 47 -5.195 6.081 4.861 305 H ASN 48 H ASN 48 -4.840 2.883 3.906 306 HA ASN 48 HA ASN 48 -6.949 2.197 5.797 307 1HB ASN 48 1HB ASN 48 -6.295 0.659 3.749 308 2HB ASN 48 2HB ASN 48 -4.894 0.219 4.737 309 1HD2 ASN 48 1HD2 ASN 48 -8.326 0.047 4.300 310 2HD2 ASN 48 2HD2 ASN 48 -8.689 -1.119 5.529 311 HA PRO 49 HA PRO 49 -3.296 3.027 8.327 312 1HB PRO 49 1HB PRO 49 -4.621 4.106 10.457 313 2HB PRO 49 2HB PRO 49 -3.999 5.071 9.120 314 1HG PRO 49 1HG PRO 49 -6.760 4.223 9.724 315 2HG PRO 49 2HG PRO 49 -6.204 5.573 8.668 316 1HD PRO 49 1HD PRO 49 -7.237 3.015 7.895 317 2HD PRO 49 2HD PRO 49 -6.554 4.247 6.823 318 H ALA 50 H ALA 50 -4.599 0.502 7.952 319 HA ALA 50 HA ALA 50 -4.144 -0.487 10.673 320 1HB ALA 50 1HB ALA 50 -6.606 -0.281 10.160 321 2HB ALA 50 2HB ALA 50 -6.368 -1.433 8.824 322 3HB ALA 50 3HB ALA 50 -6.069 -1.942 10.503 323 H ASP 51 H ASP 51 -3.033 -0.315 7.599 324 HA ASP 51 HA ASP 51 -2.798 -2.727 6.532 325 1HB ASP 51 1HB ASP 51 -0.205 -1.885 6.272 326 2HB ASP 51 2HB ASP 51 -1.544 -1.268 5.290 327 HD2 ASP 51 HD2 ASP 51 -1.233 1.876 6.619 328 H PHE 52 H PHE 52 -0.767 -1.359 9.223 329 HA PHE 52 HA PHE 52 0.311 -2.338 10.886 330 1HB PHE 52 1HB PHE 52 -1.717 -4.185 10.121 331 2HB PHE 52 2HB PHE 52 -0.247 -5.164 10.184 332 HD1 PHE 52 1HD PHE 52 0.106 -6.246 12.177 333 HD2 PHE 52 2HD PHE 52 -1.857 -2.484 12.242 334 HE1 PHE 52 1HE PHE 52 -0.129 -6.412 14.670 335 HE2 PHE 52 2HE PHE 52 -2.091 -2.649 14.735 336 HZ PHE 52 HZ PHE 52 -1.225 -4.612 15.919 337 H SER 53 H SER 53 0.399 -4.443 7.925 338 HA SER 53 HA SER 53 2.620 -5.745 8.111 339 1HB SER 53 1HB SER 53 1.474 -4.150 5.854 340 2HB SER 53 2HB SER 53 3.095 -4.827 5.614 341 HG SER 53 HG SER 53 2.279 -6.838 5.566 342 H SER 54 H SER 54 4.924 -5.457 7.925 343 HA SER 54 HA SER 54 5.815 -2.701 7.865 344 1HB SER 54 1HB SER 54 7.386 -3.190 9.771 345 2HB SER 54 2HB SER 54 5.676 -3.156 10.240 346 HG SER 54 HG SER 54 5.829 -5.602 9.856 347 H VAL 55 H VAL 55 7.854 -2.442 6.853 348 HA VAL 55 HA VAL 55 9.204 -4.931 6.087 349 HB VAL 55 HB VAL 55 7.904 -4.260 4.198 350 1HG1 VAL 55 1HG1 VAL 55 9.018 -1.504 4.740 351 2HG1 VAL 55 2HG1 VAL 55 8.365 -1.958 3.148 352 3HG1 VAL 55 3HG1 VAL 55 7.321 -2.014 4.588 353 1HG2 VAL 55 1HG2 VAL 55 10.055 -5.096 3.588 354 2HG2 VAL 55 2HG2 VAL 55 9.735 -3.688 2.547 355 3HG2 VAL 55 3HG2 VAL 55 10.836 -3.534 3.937 356 H THR 56 H THR 56 11.522 -4.656 5.642 357 HA THR 56 HA THR 56 12.586 -2.283 7.029 358 HB THR 56 HB THR 56 13.247 -5.237 7.098 359 HG1 THR 56 1HG THR 56 12.573 -4.665 9.124 360 1HG2 THR 56 1HG2 THR 56 15.409 -4.561 8.273 361 2HG2 THR 56 2HG2 THR 56 15.438 -4.297 6.513 362 3HG2 THR 56 3HG2 THR 56 15.184 -2.922 7.616 363 H ALA 57 H ALA 57 14.573 -1.369 6.255 364 HA ALA 57 HA ALA 57 14.696 -1.533 3.371 365 1HB ALA 57 1HB ALA 57 16.662 0.233 4.311 366 2HB ALA 57 2HB ALA 57 15.028 0.662 3.751 367 3HB ALA 57 3HB ALA 57 15.331 0.385 5.482 368 H ASP 58 H ASP 58 17.039 -1.462 2.401 369 HA ASP 58 HA ASP 58 18.652 -3.395 3.867 370 1HB ASP 58 1HB ASP 58 19.328 -4.203 1.495 371 2HB ASP 58 2HB ASP 58 17.747 -4.704 2.111 372 HD2 ASP 58 HD2 ASP 58 16.717 -3.666 -1.019 373 H ALA 59 H ALA 59 20.676 -2.490 4.260 374 HA ALA 59 HA ALA 59 22.191 -0.800 4.230 375 1HB ALA 59 1HB ALA 59 23.540 -1.090 1.991 376 2HB ALA 59 2HB ALA 59 23.422 -2.452 3.131 377 3HB ALA 59 3HB ALA 59 22.385 -2.408 1.685 378 H ASN 60 H ASN 60 21.706 -0.592 0.698 379 HA ASN 60 HA ASN 60 21.899 1.982 0.378 380 1HB ASN 60 1HB ASN 60 20.822 -0.120 -1.122 381 2HB ASN 60 2HB ASN 60 19.485 1.038 -1.064 382 1HD2 ASN 60 1HD2 ASN 60 21.328 0.122 -3.223 383 2HD2 ASN 60 2HD2 ASN 60 22.018 1.553 -3.912 384 H GLY 61 H GLY 61 18.893 0.258 1.445 385 1HA GLY 61 1HA GLY 61 17.698 1.490 3.251 386 2HA GLY 61 2HA GLY 61 17.719 2.875 2.177 387 H SER 62 H SER 62 17.504 0.150 0.200 388 HA SER 62 HA SER 62 14.779 0.717 -0.336 389 1HB SER 62 1HB SER 62 15.974 0.229 -2.271 390 2HB SER 62 2HB SER 62 16.900 -1.077 -1.511 391 HG SER 62 HG SER 62 15.134 -1.660 -3.109 392 H ALA 63 H ALA 63 12.953 -0.516 0.198 393 HA ALA 63 HA ALA 63 13.244 -2.344 2.349 394 1HB ALA 63 1HB ALA 63 10.707 -2.128 0.765 395 2HB ALA 63 2HB ALA 63 10.956 -2.134 2.528 396 3HB ALA 63 3HB ALA 63 11.302 -0.665 1.585 397 H SER 64 H SER 64 12.341 -4.601 2.316 398 HA SER 64 HA SER 64 12.121 -5.859 -0.209 399 1HB SER 64 1HB SER 64 14.037 -7.446 0.159 400 2HB SER 64 2HB SER 64 14.544 -5.782 -0.184 401 HG SER 64 HG SER 64 15.509 -7.128 1.730 402 H THR 65 H THR 65 10.297 -7.027 0.312 403 HA THR 65 HA THR 65 10.401 -9.213 2.012 404 HB THR 65 HB THR 65 10.428 -7.023 3.605 405 HG1 THR 65 1HG THR 65 9.422 -8.550 5.111 406 1HG2 THR 65 1HG2 THR 65 7.494 -7.702 3.697 407 2HG2 THR 65 2HG2 THR 65 8.321 -6.203 4.189 408 3HG2 THR 65 3HG2 THR 65 8.013 -6.524 2.465 409 H SER 66 H SER 66 7.801 -9.610 2.756 410 HA SER 66 HA SER 66 6.544 -9.509 0.144 411 1HB SER 66 1HB SER 66 6.244 -11.299 2.561 412 2HB SER 66 2HB SER 66 4.977 -11.251 1.323 413 HG SER 66 HG SER 66 6.835 -12.898 1.161 414 H LEU 67 H LEU 67 4.702 -8.285 -0.200 415 HA LEU 67 HA LEU 67 3.518 -7.062 2.193 416 1HB LEU 67 1HB LEU 67 4.098 -6.053 -0.551 417 2HB LEU 67 2HB LEU 67 2.728 -5.377 0.348 418 HG LEU 67 HG LEU 67 5.599 -4.907 0.617 419 1HD1 LEU 67 1HD1 LEU 67 4.291 -3.039 0.152 420 2HD1 LEU 67 2HD1 LEU 67 3.044 -3.489 1.339 421 3HD1 LEU 67 3HD1 LEU 67 4.623 -2.886 1.894 422 1HD2 LEU 67 1HD2 LEU 67 5.657 -4.708 3.052 423 2HD2 LEU 67 2HD2 LEU 67 4.023 -5.404 3.157 424 3HD2 LEU 67 3HD2 LEU 67 5.373 -6.390 2.546 425 H THR 68 H THR 68 1.340 -7.297 2.570 426 HA THR 68 HA THR 68 0.000 -9.289 0.971 427 HB THR 68 HB THR 68 -0.254 -9.461 3.361 428 HG1 THR 68 1HG THR 68 -2.356 -9.741 2.686 429 1HG2 THR 68 1HG2 THR 68 -0.251 -6.530 3.233 430 2HG2 THR 68 2HG2 THR 68 -1.671 -7.123 4.128 431 3HG2 THR 68 3HG2 THR 68 -0.033 -7.584 4.650 432 H VAL 69 H VAL 69 -0.540 -8.563 -1.044 433 HA VAL 69 HA VAL 69 -1.505 -5.950 -1.491 434 HB VAL 69 HB VAL 69 -1.691 -8.475 -3.146 435 1HG1 VAL 69 1HG1 VAL 69 -3.204 -6.330 -3.614 436 2HG1 VAL 69 2HG1 VAL 69 -1.701 -5.747 -4.369 437 3HG1 VAL 69 3HG1 VAL 69 -2.451 -7.259 -4.932 438 1HG2 VAL 69 1HG2 VAL 69 0.316 -6.210 -3.358 439 2HG2 VAL 69 2HG2 VAL 69 0.623 -7.736 -2.494 440 3HG2 VAL 69 3HG2 VAL 69 0.315 -7.752 -4.246 441 H ARG 70 H ARG 70 -3.036 -6.161 0.501 442 HA ARG 70 HA ARG 70 -5.263 -7.750 0.365 443 1HB ARG 70 1HB ARG 70 -5.107 -4.940 1.546 444 2HB ARG 70 2HB ARG 70 -6.228 -6.220 2.038 445 1HG ARG 70 1HG ARG 70 -4.665 -7.226 3.344 446 2HG ARG 70 2HG ARG 70 -3.383 -7.035 2.133 447 1HD ARG 70 1HD ARG 70 -4.217 -4.477 3.329 448 2HD ARG 70 2HD ARG 70 -3.615 -5.617 4.541 449 HE ARG 70 HE ARG 70 -1.959 -5.346 2.114 450 1HH1 ARG 70 1HH1 ARG 70 -2.521 -4.279 5.420 451 2HH1 ARG 70 2HH1 ARG 70 -0.911 -3.673 5.633 452 1HH2 ARG 70 1HH2 ARG 70 0.165 -4.548 2.395 453 2HH2 ARG 70 2HH2 ARG 70 0.626 -3.828 3.901 454 H ARG 71 H ARG 71 -7.151 -7.667 -0.846 455 HA ARG 71 HA ARG 71 -7.327 -5.527 -2.742 456 1HB ARG 71 1HB ARG 71 -7.687 -7.812 -3.535 457 2HB ARG 71 2HB ARG 71 -8.972 -8.074 -2.344 458 1HG ARG 71 1HG ARG 71 -9.987 -5.897 -3.553 459 2HG ARG 71 2HG ARG 71 -9.012 -6.500 -4.905 460 1HD ARG 71 1HD ARG 71 -10.905 -7.726 -5.326 461 2HD ARG 71 2HD ARG 71 -10.210 -8.824 -4.125 462 HE ARG 71 HE ARG 71 -11.711 -6.878 -2.716 463 1HH1 ARG 71 1HH1 ARG 71 -12.298 -9.451 -5.043 464 2HH1 ARG 71 2HH1 ARG 71 -13.909 -9.759 -4.488 465 1HH2 ARG 71 1HH2 ARG 71 -13.836 -7.286 -1.983 466 2HH2 ARG 71 2HH2 ARG 71 -14.790 -8.520 -2.735 467 H SER 72 H SER 72 -9.830 -7.248 -0.726 468 HA SER 72 HA SER 72 -11.446 -4.927 -0.710 469 1HB SER 72 1HB SER 72 -12.229 -7.354 -0.668 470 2HB SER 72 2HB SER 72 -11.754 -7.401 1.039 471 HG SER 72 HG SER 72 -13.245 -5.192 0.724 472 H PHE 73 H PHE 73 -10.985 -3.169 0.561 473 HA PHE 73 HA PHE 73 -10.219 -3.705 3.325 474 1HB PHE 73 1HB PHE 73 -8.568 -2.691 1.176 475 2HB PHE 73 2HB PHE 73 -8.906 -1.325 2.244 476 HD1 PHE 73 1HD PHE 73 -6.620 -1.097 2.961 477 HD2 PHE 73 2HD PHE 73 -8.672 -4.774 3.483 478 HE1 PHE 73 1HE PHE 73 -4.812 -1.886 4.514 479 HE2 PHE 73 2HE PHE 73 -6.865 -5.562 5.036 480 HZ PHE 73 HZ PHE 73 -4.957 -4.109 5.533 481 H GLU 74 H GLU 74 -10.395 -1.623 4.681 482 HA GLU 74 HA GLU 74 -12.617 -0.065 3.608 483 1HB GLU 74 1HB GLU 74 -13.243 0.268 6.051 484 2HB GLU 74 2HB GLU 74 -13.452 -1.380 5.433 485 1HG GLU 74 1HG GLU 74 -11.574 -2.183 6.601 486 2HG GLU 74 2HG GLU 74 -10.852 -0.574 6.766 487 HE2 GLU 74 HE2 GLU 74 -13.013 0.188 9.469 488 H GLY 75 H GLY 75 -10.794 1.277 2.654 489 1HA GLY 75 1HA GLY 75 -9.058 2.702 4.426 490 2HA GLY 75 2HA GLY 75 -9.308 2.983 2.715 491 H PHE 76 H PHE 76 -9.100 4.992 4.879 492 HA PHE 76 HA PHE 76 -11.834 6.025 4.940 493 1HB PHE 76 1HB PHE 76 -11.126 7.088 6.924 494 2HB PHE 76 2HB PHE 76 -10.033 5.699 6.939 495 HD1 PHE 76 1HD PHE 76 -10.077 8.976 7.678 496 HD2 PHE 76 2HD PHE 76 -7.910 6.317 5.179 497 HE1 PHE 76 1HE PHE 76 -8.112 10.538 7.717 498 HE2 PHE 76 2HE PHE 76 -5.947 7.879 5.218 499 HZ PHE 76 HZ PHE 76 -6.071 9.972 6.487 500 H LEU 77 H LEU 77 -12.411 7.905 3.887 501 HA LEU 77 HA LEU 77 -11.172 8.788 1.699 502 1HB LEU 77 1HB LEU 77 -12.962 10.082 3.690 503 2HB LEU 77 2HB LEU 77 -12.254 11.093 2.416 504 HG LEU 77 HG LEU 77 -13.213 9.425 0.755 505 1HD1 LEU 77 1HD1 LEU 77 -14.342 8.330 3.301 506 2HD1 LEU 77 2HD1 LEU 77 -15.327 8.272 1.820 507 3HD1 LEU 77 3HD1 LEU 77 -13.731 7.484 1.859 508 1HD2 LEU 77 1HD2 LEU 77 -14.459 11.578 2.195 509 2HD2 LEU 77 2HD2 LEU 77 -14.645 11.097 0.492 510 3HD2 LEU 77 3HD2 LEU 77 -15.684 10.369 1.741 511 H PHE 78 H PHE 78 -10.844 10.575 4.853 512 HA PHE 78 HA PHE 78 -8.216 10.640 5.161 513 1HB PHE 78 1HB PHE 78 -7.590 11.452 3.042 514 2HB PHE 78 2HB PHE 78 -9.134 12.271 2.790 515 HD1 PHE 78 1HD PHE 78 -5.707 12.689 3.546 516 HD2 PHE 78 2HD PHE 78 -9.528 14.399 4.238 517 HE1 PHE 78 1HE PHE 78 -4.622 14.879 4.120 518 HE2 PHE 78 2HE PHE 78 -8.444 16.590 4.812 519 HZ PHE 78 HZ PHE 78 -6.005 16.803 4.747 520 H ASP 79 H ASP 79 -11.271 12.376 5.051 521 HA ASP 79 HA ASP 79 -10.312 14.300 6.975 522 1HB ASP 79 1HB ASP 79 -12.402 14.181 4.996 523 2HB ASP 79 2HB ASP 79 -13.161 14.461 6.570 524 HD2 ASP 79 HD2 ASP 79 -10.892 17.436 6.600 525 H GLY 80 H GLY 80 -12.474 11.460 6.570 526 1HA GLY 80 1HA GLY 80 -12.336 10.545 9.158 527 2HA GLY 80 2HA GLY 80 -13.706 11.638 9.143 528 H THR 81 H THR 81 -14.267 11.100 6.207 529 HA THR 81 HA THR 81 -16.118 9.028 6.563 530 HB THR 81 HB THR 81 -14.952 10.112 3.949 531 HG1 THR 81 1HG THR 81 -15.664 11.970 4.959 532 1HG2 THR 81 1HG2 THR 81 -16.865 8.204 4.197 533 2HG2 THR 81 2HG2 THR 81 -17.878 9.637 4.492 534 3HG2 THR 81 3HG2 THR 81 -16.976 9.484 2.965 535 H ARG 82 H ARG 82 -16.252 6.933 5.511 536 HA ARG 82 HA ARG 82 -13.686 5.857 4.758 537 1HB ARG 82 1HB ARG 82 -14.045 3.854 6.235 538 2HB ARG 82 2HB ARG 82 -13.806 5.347 7.159 539 1HG ARG 82 1HG ARG 82 -15.755 4.939 8.207 540 2HG ARG 82 2HG ARG 82 -16.603 5.162 6.667 541 1HD ARG 82 1HD ARG 82 -16.511 2.812 6.179 542 2HD ARG 82 2HD ARG 82 -15.328 2.509 7.460 543 HE ARG 82 HE ARG 82 -18.204 2.644 7.754 544 1HH1 ARG 82 1HH1 ARG 82 -15.197 3.382 9.426 545 2HH1 ARG 82 2HH1 ARG 82 -15.893 3.248 11.006 546 1HH2 ARG 82 1HH2 ARG 82 -19.123 2.465 9.839 547 2HH2 ARG 82 2HH2 ARG 82 -18.141 2.721 11.242 548 H TRP 83 H TRP 83 -13.891 4.333 3.090 549 HA TRP 83 HA TRP 83 -16.414 4.090 1.849 550 1HB TRP 83 1HB TRP 83 -13.746 2.770 1.388 551 2HB TRP 83 2HB TRP 83 -15.163 2.447 0.388 552 HD1 TRP 83 HD TRP 83 -12.634 5.260 1.160 553 HE1 TRP 83 1HE TRP 83 -12.685 7.126 -0.705 554 HE3 TRP 83 3HE TRP 83 -16.682 3.423 -1.308 555 HZ2 TRP 83 2HZ TRP 83 -14.374 7.613 -2.953 556 HZ3 TRP 83 3HZ TRP 83 -17.467 4.653 -3.328 557 HH2 TRP 83 HH TRP 83 -16.383 6.680 -4.158 558 H GLY 84 H GLY 84 -14.202 1.508 3.160 559 1HA GLY 84 1HA GLY 84 -14.801 -0.125 4.699 560 2HA GLY 84 2HA GLY 84 -16.498 0.233 4.451 561 H THR 85 H THR 85 -14.576 -2.277 4.173 562 HA THR 85 HA THR 85 -14.113 -3.848 2.559 563 HB THR 85 HB THR 85 -16.322 -4.206 3.974 564 HG1 THR 85 1HG THR 85 -15.133 -5.923 2.942 565 1HG2 THR 85 1HG2 THR 85 -18.358 -4.119 2.864 566 2HG2 THR 85 2HG2 THR 85 -17.540 -2.849 1.921 567 3HG2 THR 85 3HG2 THR 85 -17.623 -4.512 1.292 568 H VAL 86 H VAL 86 -13.711 -1.469 1.237 569 HA VAL 86 HA VAL 86 -15.318 -1.617 -1.181 570 HB VAL 86 HB VAL 86 -14.798 0.532 -0.022 571 1HG1 VAL 86 1HG1 VAL 86 -12.201 1.017 -1.105 572 2HG1 VAL 86 2HG1 VAL 86 -12.715 1.024 0.599 573 3HG1 VAL 86 3HG1 VAL 86 -12.127 -0.481 -0.147 574 1HG2 VAL 86 1HG2 VAL 86 -13.857 0.183 -2.885 575 2HG2 VAL 86 2HG2 VAL 86 -15.499 0.577 -2.327 576 3HG2 VAL 86 3HG2 VAL 86 -14.182 1.756 -2.118 577 H ASP 87 H ASP 87 -14.496 -2.192 -3.219 578 HA ASP 87 HA ASP 87 -12.389 -4.036 -3.122 579 1HB ASP 87 1HB ASP 87 -14.236 -2.890 -5.166 580 2HB ASP 87 2HB ASP 87 -12.718 -3.546 -5.801 581 HD2 ASP 87 HD2 ASP 87 -14.922 -6.306 -5.904 582 H CYS 88 H CYS 88 -10.450 -2.891 -2.468 583 HA CYS 88 HA CYS 88 -9.636 -0.448 -3.376 584 1HB CYS 88 1HB CYS 88 -7.811 -0.819 -2.188 585 2HB CYS 88 2HB CYS 88 -8.650 -2.285 -1.652 586 H THR 89 H THR 89 -9.517 -3.676 -4.891 587 HA THR 89 HA THR 89 -7.654 -3.066 -6.913 588 HB THR 89 HB THR 89 -8.212 -5.371 -6.287 589 HG1 THR 89 1HG THR 89 -9.452 -4.639 -8.844 590 1HG2 THR 89 1HG2 THR 89 -11.027 -4.499 -7.068 591 2HG2 THR 89 2HG2 THR 89 -10.535 -6.206 -7.169 592 3HG2 THR 89 3HG2 THR 89 -10.510 -5.365 -5.602 593 H THR 90 H THR 90 -11.168 -2.524 -6.595 594 HA THR 90 HA THR 90 -11.586 -1.897 -9.318 595 HB THR 90 HB THR 90 -13.028 -1.687 -6.689 596 HG1 THR 90 1HG THR 90 -13.604 -2.410 -9.478 597 1HG2 THR 90 1HG2 THR 90 -14.932 -0.610 -8.218 598 2HG2 THR 90 2HG2 THR 90 -13.780 0.448 -7.371 599 3HG2 THR 90 3HG2 THR 90 -13.548 0.083 -9.097 600 H ALA 91 H ALA 91 -10.261 -0.097 -6.579 601 HA ALA 91 HA ALA 91 -10.271 2.307 -8.268 602 1HB ALA 91 1HB ALA 91 -11.182 1.972 -5.689 603 2HB ALA 91 2HB ALA 91 -9.523 2.558 -5.419 604 3HB ALA 91 3HB ALA 91 -10.660 3.521 -6.392 605 H ALA 92 H ALA 92 -8.471 -0.025 -8.605 606 HA ALA 92 HA ALA 92 -6.289 -0.597 -8.477 607 1HB ALA 92 1HB ALA 92 -5.011 1.610 -9.472 608 2HB ALA 92 2HB ALA 92 -5.969 0.478 -10.457 609 3HB ALA 92 3HB ALA 92 -6.703 1.989 -9.870 610 H CYS 93 H CYS 93 -6.884 -0.228 -5.900 611 HA CYS 93 HA CYS 93 -5.804 1.854 -4.524 612 1HB CYS 93 1HB CYS 93 -6.066 0.618 -2.654 613 2HB CYS 93 2HB CYS 93 -7.118 -0.278 -3.764 614 H GLN 94 H GLN 94 -3.739 1.227 -2.883 615 HA GLN 94 HA GLN 94 -1.622 0.171 -4.551 616 1HB GLN 94 1HB GLN 94 -0.147 2.084 -4.008 617 2HB GLN 94 2HB GLN 94 -1.563 2.598 -4.946 618 1HG GLN 94 1HG GLN 94 -1.726 2.650 -1.941 619 2HG GLN 94 2HG GLN 94 -0.774 3.910 -2.739 620 1HE2 GLN 94 1HE2 GLN 94 -1.919 5.684 -2.806 621 2HE2 GLN 94 2HE2 GLN 94 -3.576 5.847 -3.282 622 H VAL 95 H VAL 95 0.300 -0.498 -3.297 623 HA VAL 95 HA VAL 95 -0.101 -0.518 -0.409 624 HB VAL 95 HB VAL 95 -1.131 -2.563 -1.283 625 1HG1 VAL 95 1HG1 VAL 95 -0.021 -4.171 -2.572 626 2HG1 VAL 95 2HG1 VAL 95 0.481 -2.631 -3.308 627 3HG1 VAL 95 3HG1 VAL 95 1.585 -3.495 -2.212 628 1HG2 VAL 95 1HG2 VAL 95 -0.430 -3.692 0.523 629 2HG2 VAL 95 2HG2 VAL 95 1.243 -3.783 -0.078 630 3HG2 VAL 95 3HG2 VAL 95 0.690 -2.335 0.796 631 H GLY 96 H GLY 96 1.613 0.999 -0.257 632 1HA GLY 96 1HA GLY 96 4.241 -0.065 -1.111 633 2HA GLY 96 2HA GLY 96 3.819 1.636 -1.108 634 H LEU 97 H LEU 97 5.798 1.819 0.301 635 HA LEU 97 HA LEU 97 5.476 0.767 2.980 636 1HB LEU 97 1HB LEU 97 7.670 0.984 3.180 637 2HB LEU 97 2HB LEU 97 7.636 1.074 1.410 638 HG LEU 97 HG LEU 97 9.106 2.766 2.258 639 1HD1 LEU 97 1HD1 LEU 97 6.762 4.484 1.624 640 2HD1 LEU 97 2HD1 LEU 97 8.404 4.472 0.937 641 3HD1 LEU 97 3HD1 LEU 97 7.218 3.245 0.429 642 1HD2 LEU 97 1HD2 LEU 97 8.787 4.050 4.077 643 2HD2 LEU 97 2HD2 LEU 97 7.067 4.327 3.718 644 3HD2 LEU 97 3HD2 LEU 97 7.580 2.812 4.498 645 H SER 98 H SER 98 5.677 2.233 4.887 646 HA SER 98 HA SER 98 4.923 4.956 4.345 647 1HB SER 98 1HB SER 98 3.011 2.935 5.136 648 2HB SER 98 2HB SER 98 3.165 4.132 6.434 649 HG SER 98 HG SER 98 1.572 4.876 5.009 650 H ASP 99 H ASP 99 6.496 6.013 5.505 651 HA ASP 99 HA ASP 99 7.716 4.779 7.719 652 1HB ASP 99 1HB ASP 99 8.224 7.587 7.756 653 2HB ASP 99 2HB ASP 99 9.293 6.306 7.163 654 HD2 ASP 99 HD2 ASP 99 9.107 7.911 4.145 655 H ALA 100 H ALA 100 7.915 6.145 9.893 656 HA ALA 100 HA ALA 100 5.208 6.704 10.754 657 1HB ALA 100 1HB ALA 100 7.812 6.678 12.330 658 2HB ALA 100 2HB ALA 100 6.158 6.600 12.982 659 3HB ALA 100 3HB ALA 100 6.806 5.240 12.034 660 H ALA 101 H ALA 101 6.342 8.544 8.809 661 HA ALA 101 HA ALA 101 5.845 10.960 10.212 662 1HB ALA 101 1HB ALA 101 8.423 11.436 9.049 663 2HB ALA 101 2HB ALA 101 7.930 11.587 10.752 664 3HB ALA 101 3HB ALA 101 8.556 10.037 10.142 665 H GLY 102 H GLY 102 7.088 9.206 7.336 666 1HA GLY 102 1HA GLY 102 6.488 11.342 5.515 667 2HA GLY 102 2HA GLY 102 6.964 9.700 5.127 668 H ASN 103 H ASN 103 5.146 7.976 5.891 669 HA ASN 103 HA ASN 103 3.271 7.152 5.071 670 1HB ASN 103 1HB ASN 103 1.426 7.707 6.447 671 2HB ASN 103 2HB ASN 103 2.803 8.249 7.421 672 1HD2 ASN 103 1HD2 ASN 103 3.439 10.507 7.235 673 2HD2 ASN 103 2HD2 ASN 103 2.233 11.725 6.990 674 H GLY 104 H GLY 104 0.668 8.549 4.693 675 1HA GLY 104 1HA GLY 104 -0.388 10.070 3.329 676 2HA GLY 104 2HA GLY 104 1.155 10.614 2.703 677 HA PRO 105 HA PRO 105 -0.791 7.723 -0.304 678 1HB PRO 105 1HB PRO 105 -1.464 9.496 -2.270 679 2HB PRO 105 2HB PRO 105 -2.609 8.917 -1.062 680 1HG PRO 105 1HG PRO 105 -1.207 11.505 -1.257 681 2HG PRO 105 2HG PRO 105 -2.698 11.104 -0.334 682 1HD PRO 105 1HD PRO 105 -0.040 11.494 0.658 683 2HD PRO 105 2HD PRO 105 -1.442 10.945 1.585 684 H GLU 106 H GLU 106 1.130 6.682 -0.650 685 HA GLU 106 HA GLU 106 2.482 7.703 -2.950 686 1HB GLU 106 1HB GLU 106 3.946 7.390 -0.301 687 2HB GLU 106 2HB GLU 106 4.739 7.666 -1.862 688 1HG GLU 106 1HG GLU 106 3.458 9.805 -2.083 689 2HG GLU 106 2HG GLU 106 2.753 9.534 -0.481 690 HE2 GLU 106 HE2 GLU 106 5.520 10.886 1.017 691 H GLY 107 H GLY 107 0.872 5.319 -1.824 692 1HA GLY 107 1HA GLY 107 2.697 3.121 -1.687 693 2HA GLY 107 2HA GLY 107 0.949 3.058 -1.799 694 H VAL 108 H VAL 108 2.169 1.156 -3.242 695 HA VAL 108 HA VAL 108 2.625 2.172 -5.926 696 HB VAL 108 HB VAL 108 4.112 0.496 -4.795 697 1HG1 VAL 108 1HG1 VAL 108 1.925 -1.512 -5.387 698 2HG1 VAL 108 2HG1 VAL 108 3.448 -1.760 -4.501 699 3HG1 VAL 108 3HG1 VAL 108 2.148 -0.780 -3.780 700 1HG2 VAL 108 1HG2 VAL 108 2.789 -0.214 -7.431 701 2HG2 VAL 108 2HG2 VAL 108 4.259 0.757 -7.173 702 3HG2 VAL 108 3HG2 VAL 108 4.272 -0.989 -6.825 703 H ALA 109 H ALA 109 0.747 2.694 -6.967 704 HA ALA 109 HA ALA 109 -1.673 1.296 -6.445 705 1HB ALA 109 1HB ALA 109 -2.563 2.758 -8.208 706 2HB ALA 109 2HB ALA 109 -1.547 3.691 -7.083 707 3HB ALA 109 3HB ALA 109 -0.910 3.223 -8.677 708 H ILE 110 H ILE 110 -1.861 -0.826 -7.016 709 HA ILE 110 HA ILE 110 -1.148 -1.467 -9.785 710 HB ILE 110 HB ILE 110 -0.338 -2.865 -7.267 711 1HG1 ILE 110 1HG1 ILE 110 1.129 -2.391 -9.866 712 2HG1 ILE 110 2HG1 ILE 110 1.190 -1.292 -8.477 713 1HG2 ILE 110 1HG2 ILE 110 -1.171 -4.783 -8.111 714 2HG2 ILE 110 2HG2 ILE 110 -1.254 -4.150 -9.773 715 3HG2 ILE 110 3HG2 ILE 110 0.298 -4.726 -9.117 716 1HD1 ILE 110 1HD1 ILE 110 2.428 -2.790 -7.188 717 2HD1 ILE 110 2HD1 ILE 110 1.781 -4.216 -8.035 718 3HD1 ILE 110 3HD1 ILE 110 3.022 -3.204 -8.814 719 H SER 111 H SER 111 -2.477 -3.129 -10.761 720 HA SER 111 HA SER 111 -5.136 -2.929 -9.887 721 1HB SER 111 1HB SER 111 -3.768 -3.672 -12.238 722 2HB SER 111 2HB SER 111 -4.682 -5.116 -11.770 723 HG SER 111 HG SER 111 -6.007 -2.590 -11.696 724 H PHE 112 H PHE 112 -5.645 -3.911 -7.929 725 HA PHE 112 HA PHE 112 -4.479 -6.443 -7.254 726 1HB PHE 112 1HB PHE 112 -6.515 -4.478 -6.097 727 2HB PHE 112 2HB PHE 112 -6.252 -6.037 -5.311 728 HD1 PHE 112 1HD PHE 112 -3.491 -4.267 -6.932 729 HD2 PHE 112 2HD PHE 112 -5.499 -4.975 -3.261 730 HE1 PHE 112 1HE PHE 112 -1.546 -3.291 -5.680 731 HE2 PHE 112 2HE PHE 112 -3.555 -3.999 -2.009 732 HZ PHE 112 HZ PHE 112 -1.602 -3.168 -3.233 733 H ASN 113 H ASN 113 -6.581 -5.878 -9.593 734 HA ASN 113 HA ASN 113 -8.401 -6.786 -10.409 735 1HB ASN 113 1HB ASN 113 -6.805 -8.585 -10.830 736 2HB ASN 113 2HB ASN 113 -7.023 -9.238 -9.201 737 1HD2 ASN 113 1HD2 ASN 113 -8.360 -10.856 -8.983 738 2HD2 ASN 113 2HD2 ASN 113 -9.645 -11.311 -10.052 Start of MODEL 17 1 H ALA 1 H ALA 1 15.782 8.876 -6.658 2 HA ALA 1 HA ALA 1 13.477 8.084 -5.152 3 1HB ALA 1 1HB ALA 1 13.330 10.492 -6.644 4 2HB ALA 1 2HB ALA 1 12.467 9.262 -7.596 5 3HB ALA 1 3HB ALA 1 11.986 9.582 -5.912 6 H ALA 2 H ALA 2 15.913 7.023 -6.610 7 HA ALA 2 HA ALA 2 14.881 5.800 -8.982 8 1HB ALA 2 1HB ALA 2 17.153 4.443 -8.458 9 2HB ALA 2 2HB ALA 2 17.150 6.070 -9.180 10 3HB ALA 2 3HB ALA 2 17.436 5.872 -7.434 11 HA PRO 3 HA PRO 3 14.647 2.222 -5.868 12 1HB PRO 3 1HB PRO 3 14.512 2.827 -3.207 13 2HB PRO 3 2HB PRO 3 16.005 2.348 -4.011 14 1HG PRO 3 1HG PRO 3 15.086 5.017 -3.150 15 2HG PRO 3 2HG PRO 3 16.763 4.468 -3.516 16 1HD PRO 3 1HD PRO 3 15.034 6.095 -5.117 17 2HD PRO 3 2HD PRO 3 16.612 5.451 -5.588 18 H THR 4 H THR 4 13.119 4.163 -3.431 19 HA THR 4 HA THR 4 10.977 4.508 -2.946 20 HB THR 4 HB THR 4 9.638 5.256 -4.707 21 HG1 THR 4 1HG THR 4 9.096 3.700 -6.198 22 1HG2 THR 4 1HG2 THR 4 12.261 5.753 -5.229 23 2HG2 THR 4 2HG2 THR 4 11.893 4.716 -6.628 24 3HG2 THR 4 3HG2 THR 4 10.971 6.215 -6.364 25 H ALA 5 H ALA 5 9.053 3.399 -2.322 26 HA ALA 5 HA ALA 5 9.491 0.572 -2.172 27 1HB ALA 5 1HB ALA 5 7.443 0.656 -0.763 28 2HB ALA 5 2HB ALA 5 8.661 1.850 -0.252 29 3HB ALA 5 3HB ALA 5 7.240 2.373 -1.188 30 H THR 6 H THR 6 8.682 -0.973 -3.510 31 HA THR 6 HA THR 6 6.212 -0.477 -4.929 32 HB THR 6 HB THR 6 7.172 -0.614 -7.140 33 HG1 THR 6 1HG THR 6 9.368 -1.327 -7.334 34 1HG2 THR 6 1HG2 THR 6 9.158 1.013 -5.465 35 2HG2 THR 6 2HG2 THR 6 8.905 1.161 -7.220 36 3HG2 THR 6 3HG2 THR 6 7.614 1.637 -6.092 37 H VAL 7 H VAL 7 5.302 -2.408 -5.871 38 HA VAL 7 HA VAL 7 6.354 -4.775 -4.510 39 HB VAL 7 HB VAL 7 3.897 -3.712 -4.412 40 1HG1 VAL 7 1HG1 VAL 7 3.827 -5.640 -6.755 41 2HG1 VAL 7 2HG1 VAL 7 2.389 -5.105 -5.852 42 3HG1 VAL 7 3HG1 VAL 7 3.369 -3.920 -6.751 43 1HG2 VAL 7 1HG2 VAL 7 3.181 -6.275 -4.088 44 2HG2 VAL 7 2HG2 VAL 7 4.948 -6.488 -4.120 45 3HG2 VAL 7 3HG2 VAL 7 4.204 -5.408 -2.916 46 H THR 8 H THR 8 7.360 -6.344 -5.661 47 HA THR 8 HA THR 8 8.253 -6.183 -8.150 48 HB THR 8 HB THR 8 7.506 -8.387 -6.289 49 HG1 THR 8 1HG THR 8 9.744 -8.598 -6.572 50 1HG2 THR 8 1HG2 THR 8 8.456 -9.940 -8.277 51 2HG2 THR 8 2HG2 THR 8 6.705 -9.697 -8.065 52 3HG2 THR 8 3HG2 THR 8 7.592 -8.755 -9.288 53 HA PRO 9 HA PRO 9 4.326 -7.808 -10.134 54 1HB PRO 9 1HB PRO 9 2.098 -8.319 -8.637 55 2HB PRO 9 2HB PRO 9 3.267 -9.561 -9.081 56 1HG PRO 9 1HG PRO 9 2.863 -8.167 -6.512 57 2HG PRO 9 2HG PRO 9 3.700 -9.730 -6.822 58 1HD PRO 9 1HD PRO 9 4.857 -7.173 -6.257 59 2HD PRO 9 2HD PRO 9 5.724 -8.646 -6.712 60 H SER 10 H SER 10 1.625 -7.143 -10.115 61 HA SER 10 HA SER 10 1.310 -4.542 -9.153 62 1HB SER 10 1HB SER 10 1.777 -3.179 -10.922 63 2HB SER 10 2HB SER 10 2.921 -4.468 -11.335 64 HG SER 10 HG SER 10 0.942 -3.528 -12.843 65 H SER 11 H SER 11 0.005 -7.222 -9.349 66 HA SER 11 HA SER 11 -2.577 -6.407 -9.685 67 1HB SER 11 1HB SER 11 -3.208 -7.632 -11.790 68 2HB SER 11 2HB SER 11 -2.216 -6.190 -12.072 69 HG SER 11 HG SER 11 -0.889 -8.692 -11.745 70 H GLY 12 H GLY 12 -1.798 -7.726 -7.638 71 1HA GLY 12 1HA GLY 12 -1.295 -10.451 -7.717 72 2HA GLY 12 2HA GLY 12 -2.038 -9.579 -6.391 73 H LEU 13 H LEU 13 -4.289 -8.650 -8.302 74 HA LEU 13 HA LEU 13 -6.403 -9.283 -8.560 75 1HB LEU 13 1HB LEU 13 -5.328 -11.796 -9.790 76 2HB LEU 13 2HB LEU 13 -6.758 -10.855 -10.249 77 HG LEU 13 HG LEU 13 -4.370 -9.249 -10.501 78 1HD1 LEU 13 1HD1 LEU 13 -3.261 -11.458 -10.754 79 2HD1 LEU 13 2HD1 LEU 13 -4.335 -11.803 -12.131 80 3HD1 LEU 13 3HD1 LEU 13 -3.182 -10.449 -12.218 81 1HD2 LEU 13 1HD2 LEU 13 -6.753 -10.010 -12.070 82 2HD2 LEU 13 2HD2 LEU 13 -5.978 -8.424 -11.836 83 3HD2 LEU 13 3HD2 LEU 13 -5.316 -9.572 -13.025 84 H SER 14 H SER 14 -4.835 -10.279 -6.086 85 HA SER 14 HA SER 14 -6.917 -12.145 -5.313 86 1HB SER 14 1HB SER 14 -4.267 -12.928 -5.788 87 2HB SER 14 2HB SER 14 -4.358 -12.779 -4.026 88 HG SER 14 HG SER 14 -5.256 -14.719 -4.117 89 H ASP 15 H ASP 15 -7.937 -11.317 -3.527 90 HA ASP 15 HA ASP 15 -7.150 -9.031 -2.295 91 1HB ASP 15 1HB ASP 15 -9.409 -10.081 -2.162 92 2HB ASP 15 2HB ASP 15 -8.761 -11.331 -1.089 93 HD2 ASP 15 HD2 ASP 15 -8.465 -7.950 0.831 94 H GLY 16 H GLY 16 -4.989 -8.970 -1.491 95 1HA GLY 16 1HA GLY 16 -3.686 -9.151 0.447 96 2HA GLY 16 2HA GLY 16 -4.468 -10.667 0.848 97 H THR 17 H THR 17 -3.192 -9.732 -2.391 98 HA THR 17 HA THR 17 -1.779 -12.179 -2.626 99 HB THR 17 HB THR 17 -2.303 -9.690 -4.219 100 HG1 THR 17 1HG THR 17 -2.946 -11.420 -5.625 101 1HG2 THR 17 1HG2 THR 17 -0.648 -11.060 -5.923 102 2HG2 THR 17 2HG2 THR 17 -0.113 -9.641 -4.990 103 3HG2 THR 17 3HG2 THR 17 0.234 -11.281 -4.393 104 H VAL 18 H VAL 18 -0.524 -12.161 -0.622 105 HA VAL 18 HA VAL 18 1.408 -10.202 -0.125 106 HB VAL 18 HB VAL 18 1.587 -13.110 0.648 107 1HG1 VAL 18 1HG1 VAL 18 3.061 -10.760 1.322 108 2HG1 VAL 18 2HG1 VAL 18 2.152 -11.271 2.766 109 3HG1 VAL 18 3HG1 VAL 18 3.252 -12.413 1.955 110 1HG2 VAL 18 1HG2 VAL 18 -0.386 -12.999 1.679 111 2HG2 VAL 18 2HG2 VAL 18 0.236 -11.665 2.679 112 3HG2 VAL 18 3HG2 VAL 18 -0.605 -11.314 1.150 113 H VAL 19 H VAL 19 2.623 -9.634 -1.944 114 HA VAL 19 HA VAL 19 4.153 -11.822 -3.159 115 HB VAL 19 HB VAL 19 4.536 -10.112 -4.970 116 1HG1 VAL 19 1HG1 VAL 19 2.994 -11.438 -5.899 117 2HG1 VAL 19 2HG1 VAL 19 2.145 -11.652 -4.349 118 3HG1 VAL 19 3HG1 VAL 19 1.773 -10.251 -5.382 119 1HG2 VAL 19 1HG2 VAL 19 3.806 -8.011 -4.789 120 2HG2 VAL 19 2HG2 VAL 19 2.159 -8.558 -4.397 121 3HG2 VAL 19 3HG2 VAL 19 3.365 -8.367 -3.102 122 H LYS 20 H LYS 20 6.337 -10.573 -4.164 123 HA LYS 20 HA LYS 20 7.746 -9.881 -1.734 124 1HB LYS 20 1HB LYS 20 8.615 -11.575 -3.302 125 2HB LYS 20 2HB LYS 20 8.789 -10.324 -4.546 126 1HG LYS 20 1HG LYS 20 10.599 -9.360 -3.504 127 2HG LYS 20 2HG LYS 20 10.019 -9.745 -1.874 128 1HD LYS 20 1HD LYS 20 10.535 -12.228 -3.173 129 2HD LYS 20 2HD LYS 20 11.921 -11.183 -3.536 130 1HE LYS 20 1HE LYS 20 11.795 -10.625 -0.954 131 2HE LYS 20 2HE LYS 20 10.888 -12.142 -0.855 132 1HZ LYS 20 1HZ LYS 20 13.377 -12.125 -2.337 133 2HZ LYS 20 2HZ LYS 20 13.467 -12.077 -0.708 134 3HZ LYS 20 3HZ LYS 20 12.706 -13.318 -1.448 135 H VAL 21 H VAL 21 7.677 -7.806 -1.057 136 HA VAL 21 HA VAL 21 7.559 -5.733 -3.123 137 HB VAL 21 HB VAL 21 5.787 -5.879 -1.368 138 1HG1 VAL 21 1HG1 VAL 21 7.076 -6.606 0.539 139 2HG1 VAL 21 2HG1 VAL 21 8.088 -5.143 0.470 140 3HG1 VAL 21 3HG1 VAL 21 6.366 -5.015 0.905 141 1HG2 VAL 21 1HG2 VAL 21 6.570 -3.297 -0.615 142 2HG2 VAL 21 2HG2 VAL 21 7.326 -3.563 -2.205 143 3HG2 VAL 21 3HG2 VAL 21 5.566 -3.752 -2.012 144 H ALA 22 H ALA 22 9.325 -4.503 -3.547 145 HA ALA 22 HA ALA 22 11.392 -4.379 -1.472 146 1HB ALA 22 1HB ALA 22 11.903 -6.122 -3.246 147 2HB ALA 22 2HB ALA 22 11.947 -4.796 -4.432 148 3HB ALA 22 3HB ALA 22 13.115 -4.828 -3.089 149 H GLY 23 H GLY 23 12.868 -2.487 -1.781 150 1HA GLY 23 1HA GLY 23 13.346 -0.413 -2.750 151 2HA GLY 23 2HA GLY 23 11.763 -0.380 -3.502 152 H ALA 24 H ALA 24 12.349 1.920 -2.295 153 HA ALA 24 HA ALA 24 10.413 2.633 -0.702 154 1HB ALA 24 1HB ALA 24 11.598 2.368 1.676 155 2HB ALA 24 2HB ALA 24 10.543 1.095 1.016 156 3HB ALA 24 3HB ALA 24 12.312 0.940 0.890 157 H GLY 25 H GLY 25 11.737 4.069 1.458 158 1HA GLY 25 1HA GLY 25 12.721 6.276 0.041 159 2HA GLY 25 2HA GLY 25 12.834 6.005 1.768 160 H LEU 26 H LEU 26 14.200 3.264 0.464 161 HA LEU 26 HA LEU 26 16.291 2.526 0.466 162 1HB LEU 26 1HB LEU 26 16.247 3.257 -1.752 163 2HB LEU 26 2HB LEU 26 16.479 4.956 -1.300 164 HG LEU 26 HG LEU 26 18.747 3.703 -0.312 165 1HD1 LEU 26 1HD1 LEU 26 19.416 2.634 -2.704 166 2HD1 LEU 26 2HD1 LEU 26 18.817 1.690 -1.319 167 3HD1 LEU 26 3HD1 LEU 26 17.699 2.174 -2.617 168 1HD2 LEU 26 1HD2 LEU 26 18.771 4.857 -3.075 169 2HD2 LEU 26 2HD2 LEU 26 18.280 5.884 -1.705 170 3HD2 LEU 26 3HD2 LEU 26 19.886 5.119 -1.713 171 H GLN 27 H GLN 27 16.070 3.177 2.896 172 HA GLN 27 HA GLN 27 17.832 5.363 3.546 173 1HB GLN 27 1HB GLN 27 16.007 3.564 5.165 174 2HB GLN 27 2HB GLN 27 17.148 4.672 5.948 175 1HG GLN 27 1HG GLN 27 15.825 6.186 3.946 176 2HG GLN 27 2HG GLN 27 14.558 5.234 4.734 177 1HE2 GLN 27 1HE2 GLN 27 13.701 7.158 5.578 178 2HE2 GLN 27 2HE2 GLN 27 14.391 7.952 6.954 179 H ALA 28 H ALA 28 17.614 2.458 5.586 180 HA ALA 28 HA ALA 28 19.726 0.979 4.702 181 1HB ALA 28 1HB ALA 28 21.173 2.239 6.809 182 2HB ALA 28 2HB ALA 28 21.583 2.182 5.078 183 3HB ALA 28 3HB ALA 28 20.610 3.527 5.718 184 H GLY 29 H GLY 29 18.227 -0.566 5.539 185 1HA GLY 29 1HA GLY 29 17.523 -2.026 7.100 186 2HA GLY 29 2HA GLY 29 18.726 -1.375 8.196 187 H THR 30 H THR 30 16.592 1.025 6.850 188 HA THR 30 HA THR 30 15.508 1.587 9.426 189 HB THR 30 HB THR 30 14.911 2.687 6.628 190 HG1 THR 30 1HG THR 30 16.385 4.382 7.772 191 1HG2 THR 30 1HG2 THR 30 14.344 3.733 9.449 192 2HG2 THR 30 2HG2 THR 30 14.329 4.767 8.000 193 3HG2 THR 30 3HG2 THR 30 13.154 3.439 8.157 194 H ALA 31 H ALA 31 13.028 2.053 9.580 195 HA ALA 31 HA ALA 31 11.753 -0.466 8.814 196 1HB ALA 31 1HB ALA 31 11.921 0.951 11.227 197 2HB ALA 31 2HB ALA 31 10.272 1.270 10.639 198 3HB ALA 31 3HB ALA 31 10.827 -0.406 10.866 199 H TYR 32 H TYR 32 9.792 -0.509 7.659 200 HA TYR 32 HA TYR 32 8.776 2.087 6.763 201 1HB TYR 32 1HB TYR 32 9.555 -0.408 5.139 202 2HB TYR 32 2HB TYR 32 8.666 0.952 4.444 203 HD1 TYR 32 1HD TYR 32 11.453 -0.299 3.688 204 HD2 TYR 32 2HD TYR 32 10.270 3.132 5.954 205 HE1 TYR 32 1HE TYR 32 13.657 0.840 3.130 206 HE2 TYR 32 2HE TYR 32 12.478 4.258 5.388 207 HH TYR 32 HH TYR 32 14.185 3.887 3.229 208 H ASP 33 H ASP 33 7.114 1.508 8.424 209 HA ASP 33 HA ASP 33 5.650 -0.762 8.409 210 1HB ASP 33 1HB ASP 33 5.561 1.570 9.773 211 2HB ASP 33 2HB ASP 33 4.159 1.830 8.723 212 HD2 ASP 33 HD2 ASP 33 3.903 -0.713 11.731 213 H VAL 34 H VAL 34 4.124 -1.651 6.983 214 HA VAL 34 HA VAL 34 3.773 -0.588 4.443 215 HB VAL 34 HB VAL 34 2.312 -2.668 6.060 216 1HG1 VAL 34 1HG1 VAL 34 1.847 -1.927 3.152 217 2HG1 VAL 34 2HG1 VAL 34 1.215 -3.383 3.956 218 3HG1 VAL 34 3HG1 VAL 34 0.685 -1.771 4.492 219 1HG2 VAL 34 1HG2 VAL 34 3.423 -4.067 4.117 220 2HG2 VAL 34 2HG2 VAL 34 4.502 -2.656 4.008 221 3HG2 VAL 34 3HG2 VAL 34 4.373 -3.562 5.534 222 H GLY 35 H GLY 35 1.576 -0.016 3.448 223 1HA GLY 35 1HA GLY 35 -0.043 1.569 5.344 224 2HA GLY 35 2HA GLY 35 0.566 2.273 3.859 225 H GLN 36 H GLN 36 -0.016 1.116 1.752 226 HA GLN 36 HA GLN 36 -1.457 0.243 0.378 227 1HB GLN 36 1HB GLN 36 -2.191 -1.270 2.867 228 2HB GLN 36 2HB GLN 36 -3.273 -1.391 1.468 229 1HG GLN 36 1HG GLN 36 -0.460 -1.658 0.699 230 2HG GLN 36 2HG GLN 36 -0.908 -2.862 1.916 231 1HE2 GLN 36 1HE2 GLN 36 -2.952 -1.318 -0.522 232 2HE2 GLN 36 2HE2 GLN 36 -3.346 -2.741 -1.429 233 H CYS 37 H CYS 37 -2.620 1.975 -0.399 234 HA CYS 37 HA CYS 37 -4.967 2.734 1.184 235 1HB CYS 37 1HB CYS 37 -3.389 4.541 -0.636 236 2HB CYS 37 2HB CYS 37 -4.758 4.994 0.394 237 H ALA 38 H ALA 38 -6.512 4.055 -0.555 238 HA ALA 38 HA ALA 38 -6.549 2.462 -3.020 239 1HB ALA 38 1HB ALA 38 -8.195 1.824 -1.031 240 2HB ALA 38 2HB ALA 38 -9.116 3.217 -1.649 241 3HB ALA 38 3HB ALA 38 -8.759 1.840 -2.719 242 H TRP 39 H TRP 39 -5.688 4.178 -4.252 243 HA TRP 39 HA TRP 39 -6.695 6.820 -3.995 244 1HB TRP 39 1HB TRP 39 -4.611 6.921 -4.813 245 2HB TRP 39 2HB TRP 39 -4.732 5.383 -5.670 246 HD1 TRP 39 HD TRP 39 -6.329 8.935 -6.148 247 HE1 TRP 39 1HE TRP 39 -6.356 9.590 -8.704 248 HE3 TRP 39 3HE TRP 39 -4.253 4.605 -7.818 249 HZ2 TRP 39 2HZ TRP 39 -5.525 8.253 -11.085 250 HZ3 TRP 39 3HZ TRP 39 -3.894 4.359 -10.272 251 HH2 TRP 39 HH TRP 39 -4.493 6.095 -11.885 252 H VAL 40 H VAL 40 -8.743 7.389 -4.590 253 HA VAL 40 HA VAL 40 -9.913 5.932 -6.857 254 HB VAL 40 HB VAL 40 -11.342 7.428 -4.656 255 1HG1 VAL 40 1HG1 VAL 40 -13.106 5.595 -5.569 256 2HG1 VAL 40 2HG1 VAL 40 -12.970 7.243 -6.228 257 3HG1 VAL 40 3HG1 VAL 40 -12.173 5.885 -7.057 258 1HG2 VAL 40 1HG2 VAL 40 -10.758 5.751 -3.289 259 2HG2 VAL 40 2HG2 VAL 40 -11.828 4.720 -4.268 260 3HG2 VAL 40 3HG2 VAL 40 -10.086 4.787 -4.625 261 H ASP 41 H ASP 41 -8.955 9.047 -5.486 262 HA ASP 41 HA ASP 41 -8.913 10.263 -7.943 263 1HB ASP 41 1HB ASP 41 -11.529 10.277 -6.658 264 2HB ASP 41 2HB ASP 41 -10.921 11.933 -6.813 265 HD2 ASP 41 HD2 ASP 41 -12.533 11.624 -9.879 266 H THR 42 H THR 42 -8.840 12.878 -7.509 267 HA THR 42 HA THR 42 -6.840 13.326 -5.631 268 HB THR 42 HB THR 42 -8.820 15.226 -6.996 269 HG1 THR 42 1HG THR 42 -7.178 15.140 -8.600 270 1HG2 THR 42 1HG2 THR 42 -7.632 16.977 -6.127 271 2HG2 THR 42 2HG2 THR 42 -6.876 15.822 -5.003 272 3HG2 THR 42 3HG2 THR 42 -6.091 16.196 -6.557 273 H GLY 43 H GLY 43 -7.311 12.504 -3.588 274 1HA GLY 43 1HA GLY 43 -7.827 13.349 -1.431 275 2HA GLY 43 2HA GLY 43 -9.236 14.157 -2.087 276 H VAL 44 H VAL 44 -9.409 11.389 -3.784 277 HA VAL 44 HA VAL 44 -11.132 10.153 -1.778 278 HB VAL 44 HB VAL 44 -10.968 9.381 -4.673 279 1HG1 VAL 44 1HG1 VAL 44 -13.423 9.586 -2.927 280 2HG1 VAL 44 2HG1 VAL 44 -13.163 8.603 -4.388 281 3HG1 VAL 44 3HG1 VAL 44 -12.353 8.164 -2.864 282 1HG2 VAL 44 1HG2 VAL 44 -12.743 11.100 -5.131 283 2HG2 VAL 44 2HG2 VAL 44 -12.381 11.816 -3.542 284 3HG2 VAL 44 3HG2 VAL 44 -11.127 11.774 -4.807 285 H LEU 45 H LEU 45 -8.355 9.912 -1.298 286 HA LEU 45 HA LEU 45 -7.729 7.221 -2.252 287 1HB LEU 45 1HB LEU 45 -5.965 8.638 -2.694 288 2HB LEU 45 2HB LEU 45 -6.111 9.493 -1.147 289 HG LEU 45 HG LEU 45 -5.360 6.591 -1.158 290 1HD1 LEU 45 1HD1 LEU 45 -3.664 8.838 -2.168 291 2HD1 LEU 45 2HD1 LEU 45 -2.908 7.555 -1.194 292 3HD1 LEU 45 3HD1 LEU 45 -3.760 7.143 -2.702 293 1HD2 LEU 45 1HD2 LEU 45 -3.802 7.983 0.664 294 2HD2 LEU 45 2HD2 LEU 45 -5.369 8.826 0.714 295 3HD2 LEU 45 3HD2 LEU 45 -5.292 7.074 1.015 296 H ALA 46 H ALA 46 -8.961 5.839 -0.993 297 HA ALA 46 HA ALA 46 -9.229 6.295 1.817 298 1HB ALA 46 1HB ALA 46 -10.604 4.891 -0.159 299 2HB ALA 46 2HB ALA 46 -9.859 3.606 0.822 300 3HB ALA 46 3HB ALA 46 -10.917 4.814 1.591 301 H CYS 47 H CYS 47 -7.179 6.318 2.787 302 HA CYS 47 HA CYS 47 -5.234 4.373 2.168 303 1HB CYS 47 1HB CYS 47 -5.489 6.700 3.846 304 2HB CYS 47 2HB CYS 47 -4.667 5.393 4.715 305 H ASN 48 H ASN 48 -4.467 2.649 3.668 306 HA ASN 48 HA ASN 48 -6.691 1.661 5.273 307 1HB ASN 48 1HB ASN 48 -5.834 0.339 3.188 308 2HB ASN 48 2HB ASN 48 -4.419 -0.053 4.177 309 1HD2 ASN 48 1HD2 ASN 48 -5.560 -2.184 3.469 310 2HD2 ASN 48 2HD2 ASN 48 -6.620 -2.894 4.642 311 HA PRO 49 HA PRO 49 -3.227 2.489 8.104 312 1HB PRO 49 1HB PRO 49 -4.692 3.641 10.102 313 2HB PRO 49 2HB PRO 49 -3.908 4.568 8.823 314 1HG PRO 49 1HG PRO 49 -6.748 3.847 9.176 315 2HG PRO 49 2HG PRO 49 -6.039 5.163 8.171 316 1HD PRO 49 1HD PRO 49 -7.109 2.647 7.317 317 2HD PRO 49 2HD PRO 49 -6.279 3.839 6.306 318 H ALA 50 H ALA 50 -4.839 0.069 7.637 319 HA ALA 50 HA ALA 50 -4.598 -0.937 10.388 320 1HB ALA 50 1HB ALA 50 -6.534 -2.449 9.801 321 2HB ALA 50 2HB ALA 50 -6.957 -0.723 9.906 322 3HB ALA 50 3HB ALA 50 -6.755 -1.494 8.315 323 H ASP 51 H ASP 51 -3.291 -0.889 7.344 324 HA ASP 51 HA ASP 51 -3.080 -3.392 6.446 325 1HB ASP 51 1HB ASP 51 -0.621 -2.711 5.883 326 2HB ASP 51 2HB ASP 51 -1.939 -1.745 5.203 327 HD2 ASP 51 HD2 ASP 51 -0.937 1.073 6.911 328 H PHE 52 H PHE 52 -0.951 -1.799 8.943 329 HA PHE 52 HA PHE 52 0.044 -2.647 10.740 330 1HB PHE 52 1HB PHE 52 -1.978 -4.482 10.229 331 2HB PHE 52 2HB PHE 52 -0.557 -5.516 10.050 332 HD1 PHE 52 1HD PHE 52 -1.775 -2.879 12.411 333 HD2 PHE 52 2HD PHE 52 0.044 -6.683 11.934 334 HE1 PHE 52 1HE PHE 52 -1.672 -3.142 14.905 335 HE2 PHE 52 2HE PHE 52 0.148 -6.946 14.428 336 HZ PHE 52 HZ PHE 52 -0.711 -5.172 15.883 337 H SER 53 H SER 53 0.280 -4.557 7.699 338 HA SER 53 HA SER 53 2.536 -5.917 8.070 339 1HB SER 53 1HB SER 53 1.503 -4.391 5.676 340 2HB SER 53 2HB SER 53 3.014 -5.312 5.559 341 HG SER 53 HG SER 53 1.664 -6.920 5.083 342 H SER 54 H SER 54 4.852 -5.481 7.385 343 HA SER 54 HA SER 54 5.619 -2.736 7.304 344 1HB SER 54 1HB SER 54 7.040 -2.769 9.276 345 2HB SER 54 2HB SER 54 5.383 -3.169 9.762 346 HG SER 54 HG SER 54 5.981 -5.209 10.246 347 H VAL 55 H VAL 55 7.748 -2.487 6.414 348 HA VAL 55 HA VAL 55 9.117 -5.010 5.805 349 HB VAL 55 HB VAL 55 7.901 -4.392 3.840 350 1HG1 VAL 55 1HG1 VAL 55 8.239 -1.755 4.732 351 2HG1 VAL 55 2HG1 VAL 55 9.148 -1.848 3.205 352 3HG1 VAL 55 3HG1 VAL 55 7.425 -2.293 3.244 353 1HG2 VAL 55 1HG2 VAL 55 10.863 -3.797 3.738 354 2HG2 VAL 55 2HG2 VAL 55 10.006 -5.285 3.273 355 3HG2 VAL 55 3HG2 VAL 55 9.854 -3.821 2.272 356 H THR 56 H THR 56 11.417 -4.878 5.722 357 HA THR 56 HA THR 56 12.452 -2.409 6.947 358 HB THR 56 HB THR 56 13.129 -5.365 7.188 359 HG1 THR 56 1HG THR 56 12.209 -4.818 9.124 360 1HG2 THR 56 1HG2 THR 56 15.361 -4.643 7.117 361 2HG2 THR 56 2HG2 THR 56 14.936 -2.971 7.555 362 3HG2 THR 56 3HG2 THR 56 14.971 -4.238 8.806 363 H ALA 57 H ALA 57 14.496 -1.573 6.254 364 HA ALA 57 HA ALA 57 14.781 -1.795 3.415 365 1HB ALA 57 1HB ALA 57 16.310 -0.256 5.552 366 2HB ALA 57 2HB ALA 57 16.549 -0.068 3.798 367 3HB ALA 57 3HB ALA 57 14.987 0.363 4.534 368 H ASP 58 H ASP 58 17.161 -1.979 2.534 369 HA ASP 58 HA ASP 58 18.489 -4.103 4.019 370 1HB ASP 58 1HB ASP 58 19.109 -5.000 1.668 371 2HB ASP 58 2HB ASP 58 17.464 -5.300 2.246 372 HD2 ASP 58 HD2 ASP 58 16.660 -4.164 -0.920 373 H ALA 59 H ALA 59 20.619 -3.479 4.419 374 HA ALA 59 HA ALA 59 22.318 -1.971 4.423 375 1HB ALA 59 1HB ALA 59 23.487 -2.420 1.994 376 2HB ALA 59 2HB ALA 59 23.542 -3.567 3.354 377 3HB ALA 59 3HB ALA 59 22.334 -3.775 2.064 378 H ASN 60 H ASN 60 21.832 -1.719 0.883 379 HA ASN 60 HA ASN 60 22.364 0.817 0.564 380 1HB ASN 60 1HB ASN 60 21.266 -1.070 -1.033 381 2HB ASN 60 2HB ASN 60 19.828 -0.062 -0.814 382 1HD2 ASN 60 1HD2 ASN 60 20.834 -0.357 -3.282 383 2HD2 ASN 60 2HD2 ASN 60 21.606 1.087 -3.846 384 H GLY 61 H GLY 61 19.139 -0.517 1.565 385 1HA GLY 61 1HA GLY 61 18.119 0.872 3.391 386 2HA GLY 61 2HA GLY 61 18.285 2.221 2.286 387 H SER 62 H SER 62 17.773 -0.421 0.301 388 HA SER 62 HA SER 62 15.102 0.392 -0.174 389 1HB SER 62 1HB SER 62 15.642 -0.370 -2.211 390 2HB SER 62 2HB SER 62 17.174 -1.008 -1.583 391 HG SER 62 HG SER 62 14.980 -2.364 -2.452 392 H ALA 63 H ALA 63 13.176 -0.697 0.344 393 HA ALA 63 HA ALA 63 13.301 -2.527 2.499 394 1HB ALA 63 1HB ALA 63 11.029 -2.166 2.627 395 2HB ALA 63 2HB ALA 63 11.489 -0.736 1.672 396 3HB ALA 63 3HB ALA 63 10.817 -2.171 0.860 397 H SER 64 H SER 64 12.267 -4.723 2.478 398 HA SER 64 HA SER 64 11.937 -6.013 0.003 399 1HB SER 64 1HB SER 64 13.822 -7.477 -0.027 400 2HB SER 64 2HB SER 64 14.481 -5.845 0.191 401 HG SER 64 HG SER 64 15.407 -7.527 1.617 402 H THR 65 H THR 65 10.158 -7.208 0.583 403 HA THR 65 HA THR 65 10.311 -9.310 2.398 404 HB THR 65 HB THR 65 10.360 -7.145 3.928 405 HG1 THR 65 1HG THR 65 9.777 -8.803 5.271 406 1HG2 THR 65 1HG2 THR 65 8.195 -6.266 2.702 407 2HG2 THR 65 2HG2 THR 65 7.351 -7.513 3.651 408 3HG2 THR 65 3HG2 THR 65 8.235 -6.211 4.480 409 H SER 66 H SER 66 7.582 -9.402 3.243 410 HA SER 66 HA SER 66 6.385 -9.631 0.599 411 1HB SER 66 1HB SER 66 4.953 -11.369 1.556 412 2HB SER 66 2HB SER 66 6.655 -11.754 1.874 413 HG SER 66 HG SER 66 5.566 -10.223 3.903 414 H LEU 67 H LEU 67 4.450 -8.553 0.149 415 HA LEU 67 HA LEU 67 3.187 -7.182 2.415 416 1HB LEU 67 1HB LEU 67 4.518 -6.055 0.132 417 2HB LEU 67 2HB LEU 67 2.806 -5.598 0.133 418 HG LEU 67 HG LEU 67 3.025 -4.597 2.315 419 1HD1 LEU 67 1HD1 LEU 67 5.597 -4.481 3.112 420 2HD1 LEU 67 2HD1 LEU 67 4.436 -5.703 3.684 421 3HD1 LEU 67 3HD1 LEU 67 5.576 -6.103 2.377 422 1HD2 LEU 67 1HD2 LEU 67 5.183 -3.073 1.669 423 2HD2 LEU 67 2HD2 LEU 67 4.786 -3.792 0.090 424 3HD2 LEU 67 3HD2 LEU 67 3.554 -2.868 0.982 425 H THR 68 H THR 68 1.087 -7.723 2.648 426 HA THR 68 HA THR 68 -0.146 -9.437 0.744 427 HB THR 68 HB THR 68 -0.580 -9.649 3.150 428 HG1 THR 68 1HG THR 68 -2.463 -10.148 2.004 429 1HG2 THR 68 1HG2 THR 68 -0.295 -7.162 3.703 430 2HG2 THR 68 2HG2 THR 68 -1.897 -6.893 2.975 431 3HG2 THR 68 3HG2 THR 68 -1.738 -7.915 4.423 432 H VAL 69 H VAL 69 -0.346 -8.514 -1.277 433 HA VAL 69 HA VAL 69 -1.254 -5.883 -1.657 434 HB VAL 69 HB VAL 69 -1.221 -8.302 -3.474 435 1HG1 VAL 69 1HG1 VAL 69 -2.795 -6.347 -4.090 436 2HG1 VAL 69 2HG1 VAL 69 -1.303 -5.427 -4.396 437 3HG1 VAL 69 3HG1 VAL 69 -1.636 -6.913 -5.317 438 1HG2 VAL 69 1HG2 VAL 69 0.757 -6.057 -2.986 439 2HG2 VAL 69 2HG2 VAL 69 1.005 -7.807 -2.774 440 3HG2 VAL 69 3HG2 VAL 69 0.820 -7.126 -4.408 441 H ARG 70 H ARG 70 -3.028 -6.155 0.094 442 HA ARG 70 HA ARG 70 -5.199 -7.697 -0.192 443 1HB ARG 70 1HB ARG 70 -6.457 -5.636 0.826 444 2HB ARG 70 2HB ARG 70 -5.115 -6.335 1.749 445 1HG ARG 70 1HG ARG 70 -3.888 -4.471 0.052 446 2HG ARG 70 2HG ARG 70 -5.385 -3.662 0.551 447 1HD ARG 70 1HD ARG 70 -4.072 -3.057 2.340 448 2HD ARG 70 2HD ARG 70 -4.590 -4.632 2.961 449 HE ARG 70 HE ARG 70 -2.226 -4.899 1.319 450 1HH1 ARG 70 1HH1 ARG 70 -3.283 -3.841 4.504 451 2HH1 ARG 70 2HH1 ARG 70 -1.755 -4.156 5.257 452 1HH2 ARG 70 1HH2 ARG 70 -0.210 -5.315 2.311 453 2HH2 ARG 70 2HH2 ARG 70 0.005 -5.000 4.001 454 H ARG 71 H ARG 71 -7.295 -7.482 -1.235 455 HA ARG 71 HA ARG 71 -7.131 -5.800 -3.592 456 1HB ARG 71 1HB ARG 71 -7.454 -8.168 -4.077 457 2HB ARG 71 2HB ARG 71 -8.826 -8.266 -2.963 458 1HG ARG 71 1HG ARG 71 -9.616 -6.223 -4.624 459 2HG ARG 71 2HG ARG 71 -8.692 -7.233 -5.751 460 1HD ARG 71 1HD ARG 71 -10.551 -8.511 -5.931 461 2HD ARG 71 2HD ARG 71 -10.236 -9.072 -4.283 462 HE ARG 71 HE ARG 71 -11.575 -6.602 -4.043 463 1HH1 ARG 71 1HH1 ARG 71 -12.254 -9.783 -5.386 464 2HH1 ARG 71 2HH1 ARG 71 -13.962 -9.669 -5.125 465 1HH2 ARG 71 1HH2 ARG 71 -13.829 -6.451 -3.699 466 2HH2 ARG 71 2HH2 ARG 71 -14.865 -7.762 -4.159 467 H SER 72 H SER 72 -9.395 -6.921 -0.983 468 HA SER 72 HA SER 72 -10.765 -4.373 -1.302 469 1HB SER 72 1HB SER 72 -12.911 -5.577 -0.738 470 2HB SER 72 2HB SER 72 -12.234 -5.999 -2.321 471 HG SER 72 HG SER 72 -11.167 -7.836 -0.988 472 H PHE 73 H PHE 73 -11.537 -3.433 0.683 473 HA PHE 73 HA PHE 73 -11.634 -4.762 3.110 474 1HB PHE 73 1HB PHE 73 -9.511 -3.814 4.109 475 2HB PHE 73 2HB PHE 73 -9.162 -4.953 2.803 476 HD1 PHE 73 1HD PHE 73 -9.181 -1.416 3.790 477 HD2 PHE 73 2HD PHE 73 -8.161 -4.195 0.750 478 HE1 PHE 73 1HE PHE 73 -7.808 0.344 2.643 479 HE2 PHE 73 2HE PHE 73 -6.788 -2.435 -0.398 480 HZ PHE 73 HZ PHE 73 -6.628 -0.187 0.562 481 H GLU 74 H GLU 74 -10.888 -2.743 4.920 482 HA GLU 74 HA GLU 74 -12.867 -0.782 4.212 483 1HB GLU 74 1HB GLU 74 -12.636 -0.074 6.587 484 2HB GLU 74 2HB GLU 74 -13.000 -1.801 6.432 485 1HG GLU 74 1HG GLU 74 -11.155 -2.267 7.636 486 2HG GLU 74 2HG GLU 74 -10.151 -1.537 6.373 487 HE2 GLU 74 HE2 GLU 74 -10.759 0.413 9.745 488 H GLY 75 H GLY 75 -12.246 1.019 3.104 489 1HA GLY 75 1HA GLY 75 -9.531 2.071 3.625 490 2HA GLY 75 2HA GLY 75 -10.395 2.202 2.106 491 H PHE 76 H PHE 76 -9.308 4.182 4.311 492 HA PHE 76 HA PHE 76 -11.794 5.740 4.461 493 1HB PHE 76 1HB PHE 76 -9.444 5.254 6.345 494 2HB PHE 76 2HB PHE 76 -10.380 6.743 6.503 495 HD1 PHE 76 1HD PHE 76 -11.221 3.135 5.982 496 HD2 PHE 76 2HD PHE 76 -11.844 6.655 8.269 497 HE1 PHE 76 1HE PHE 76 -12.894 1.916 7.403 498 HE2 PHE 76 2HE PHE 76 -13.516 5.435 9.690 499 HZ PHE 76 HZ PHE 76 -14.021 3.082 9.240 500 H LEU 77 H LEU 77 -11.742 7.774 3.582 501 HA LEU 77 HA LEU 77 -9.457 8.519 2.087 502 1HB LEU 77 1HB LEU 77 -12.186 9.535 2.584 503 2HB LEU 77 2HB LEU 77 -10.984 10.728 2.057 504 HG LEU 77 HG LEU 77 -10.599 9.537 0.017 505 1HD1 LEU 77 1HD1 LEU 77 -10.660 7.255 0.860 506 2HD1 LEU 77 2HD1 LEU 77 -12.421 7.368 1.095 507 3HD1 LEU 77 3HD1 LEU 77 -11.736 7.432 -0.547 508 1HD2 LEU 77 1HD2 LEU 77 -12.990 9.428 -0.912 509 2HD2 LEU 77 2HD2 LEU 77 -13.504 9.930 0.716 510 3HD2 LEU 77 3HD2 LEU 77 -12.424 10.975 -0.237 511 H PHE 78 H PHE 78 -11.011 9.774 5.111 512 HA PHE 78 HA PHE 78 -10.027 10.692 6.890 513 1HB PHE 78 1HB PHE 78 -7.901 9.462 5.676 514 2HB PHE 78 2HB PHE 78 -7.411 11.142 5.431 515 HD1 PHE 78 1HD PHE 78 -6.571 12.437 7.240 516 HD2 PHE 78 2HD PHE 78 -8.191 8.585 7.974 517 HE1 PHE 78 1HE PHE 78 -5.638 12.488 9.570 518 HE2 PHE 78 2HE PHE 78 -7.259 8.636 10.304 519 HZ PHE 78 HZ PHE 78 -5.993 10.588 11.074 520 H ASP 79 H ASP 79 -10.990 12.002 4.195 521 HA ASP 79 HA ASP 79 -10.659 14.635 5.159 522 1HB ASP 79 1HB ASP 79 -8.555 13.968 3.671 523 2HB ASP 79 2HB ASP 79 -9.668 14.262 2.327 524 HD2 ASP 79 HD2 ASP 79 -9.743 17.669 3.988 525 H GLY 80 H GLY 80 -12.755 12.616 4.481 526 1HA GLY 80 1HA GLY 80 -14.557 14.270 3.060 527 2HA GLY 80 2HA GLY 80 -13.959 13.006 2.004 528 H THR 81 H THR 81 -13.813 10.710 3.286 529 HA THR 81 HA THR 81 -15.752 10.246 5.278 530 HB THR 81 HB THR 81 -16.689 10.413 2.499 531 HG1 THR 81 1HG THR 81 -17.901 9.676 5.069 532 1HG2 THR 81 1HG2 THR 81 -17.509 7.918 4.053 533 2HG2 THR 81 2HG2 THR 81 -17.939 8.360 2.383 534 3HG2 THR 81 3HG2 THR 81 -16.277 7.851 2.771 535 H ARG 82 H ARG 82 -16.196 7.765 5.441 536 HA ARG 82 HA ARG 82 -13.680 6.497 4.705 537 1HB ARG 82 1HB ARG 82 -14.029 5.049 6.731 538 2HB ARG 82 2HB ARG 82 -13.863 6.764 7.142 539 1HG ARG 82 1HG ARG 82 -16.625 6.329 6.660 540 2HG ARG 82 2HG ARG 82 -16.089 4.951 7.636 541 1HD ARG 82 1HD ARG 82 -14.959 6.700 9.166 542 2HD ARG 82 2HD ARG 82 -15.905 7.920 8.298 543 HE ARG 82 HE ARG 82 -17.503 5.673 9.288 544 1HH1 ARG 82 1HH1 ARG 82 -16.142 8.816 10.098 545 2HH1 ARG 82 2HH1 ARG 82 -17.298 9.137 11.347 546 1HH2 ARG 82 1HH2 ARG 82 -19.028 6.096 10.936 547 2HH2 ARG 82 2HH2 ARG 82 -18.951 7.580 11.828 548 H TRP 83 H TRP 83 -13.949 4.923 3.154 549 HA TRP 83 HA TRP 83 -16.456 4.063 2.298 550 1HB TRP 83 1HB TRP 83 -13.673 2.990 1.889 551 2HB TRP 83 2HB TRP 83 -15.092 2.276 1.121 552 HD1 TRP 83 HD TRP 83 -12.494 4.753 0.390 553 HE1 TRP 83 1HE TRP 83 -13.089 6.388 -1.593 554 HE3 TRP 83 3HE TRP 83 -17.455 3.647 0.272 555 HZ2 TRP 83 2HZ TRP 83 -15.514 7.022 -2.958 556 HZ3 TRP 83 3HZ TRP 83 -18.867 4.818 -1.416 557 HH2 TRP 83 HH TRP 83 -17.972 6.454 -2.995 558 H GLY 84 H GLY 84 -14.103 1.548 3.211 559 1HA GLY 84 1HA GLY 84 -14.214 0.233 5.188 560 2HA GLY 84 2HA GLY 84 -15.917 0.616 5.341 561 H THR 85 H THR 85 -14.165 -1.981 4.925 562 HA THR 85 HA THR 85 -14.119 -3.730 3.410 563 HB THR 85 HB THR 85 -15.797 -3.896 5.442 564 HG1 THR 85 1HG THR 85 -15.998 -5.442 2.953 565 1HG2 THR 85 1HG2 THR 85 -17.597 -2.750 3.701 566 2HG2 THR 85 2HG2 THR 85 -17.849 -4.475 3.341 567 3HG2 THR 85 3HG2 THR 85 -18.072 -3.870 5.000 568 H VAL 86 H VAL 86 -14.034 -1.717 1.668 569 HA VAL 86 HA VAL 86 -16.214 -2.333 -0.206 570 HB VAL 86 HB VAL 86 -16.120 -0.002 0.660 571 1HG1 VAL 86 1HG1 VAL 86 -13.917 0.591 1.012 572 2HG1 VAL 86 2HG1 VAL 86 -13.354 -0.166 -0.497 573 3HG1 VAL 86 3HG1 VAL 86 -14.230 1.383 -0.551 574 1HG2 VAL 86 1HG2 VAL 86 -17.108 -0.568 -1.541 575 2HG2 VAL 86 2HG2 VAL 86 -16.403 1.066 -1.508 576 3HG2 VAL 86 3HG2 VAL 86 -15.532 -0.264 -2.308 577 H ASP 87 H ASP 87 -15.567 -2.380 -2.526 578 HA ASP 87 HA ASP 87 -13.350 -4.026 -2.832 579 1HB ASP 87 1HB ASP 87 -15.300 -2.620 -4.624 580 2HB ASP 87 2HB ASP 87 -13.814 -3.216 -5.381 581 HD2 ASP 87 HD2 ASP 87 -15.577 -6.129 -5.807 582 H CYS 88 H CYS 88 -11.184 -3.487 -3.250 583 HA CYS 88 HA CYS 88 -10.594 -0.656 -3.495 584 1HB CYS 88 1HB CYS 88 -9.479 -2.668 -2.006 585 2HB CYS 88 2HB CYS 88 -8.327 -2.501 -3.346 586 H THR 89 H THR 89 -10.500 -3.773 -5.215 587 HA THR 89 HA THR 89 -8.697 -3.168 -7.232 588 HB THR 89 HB THR 89 -9.454 -5.427 -6.983 589 HG1 THR 89 1HG THR 89 -10.119 -5.710 -9.149 590 1HG2 THR 89 1HG2 THR 89 -12.059 -4.150 -6.537 591 2HG2 THR 89 2HG2 THR 89 -12.179 -5.422 -7.778 592 3HG2 THR 89 3HG2 THR 89 -11.553 -5.814 -6.158 593 H THR 90 H THR 90 -12.119 -2.217 -6.827 594 HA THR 90 HA THR 90 -12.371 -1.208 -9.473 595 HB THR 90 HB THR 90 -13.925 -1.336 -6.924 596 HG1 THR 90 1HG THR 90 -14.404 -1.364 -9.822 597 1HG2 THR 90 1HG2 THR 90 -15.630 0.277 -8.084 598 2HG2 THR 90 2HG2 THR 90 -14.290 1.023 -7.182 599 3HG2 THR 90 3HG2 THR 90 -14.218 0.919 -8.957 600 H ALA 91 H ALA 91 -11.005 0.032 -6.465 601 HA ALA 91 HA ALA 91 -10.806 2.677 -7.719 602 1HB ALA 91 1HB ALA 91 -11.420 3.391 -5.679 603 2HB ALA 91 2HB ALA 91 -11.373 1.728 -5.045 604 3HB ALA 91 3HB ALA 91 -9.901 2.730 -5.027 605 H ALA 92 H ALA 92 -9.215 0.159 -8.358 606 HA ALA 92 HA ALA 92 -7.078 -0.570 -8.377 607 1HB ALA 92 1HB ALA 92 -6.073 0.639 -10.018 608 2HB ALA 92 2HB ALA 92 -7.571 1.600 -9.975 609 3HB ALA 92 3HB ALA 92 -6.133 2.151 -9.081 610 H CYS 93 H CYS 93 -7.138 -0.780 -5.914 611 HA CYS 93 HA CYS 93 -6.207 1.118 -4.201 612 1HB CYS 93 1HB CYS 93 -6.849 -1.568 -4.090 613 2HB CYS 93 2HB CYS 93 -5.158 -1.521 -3.556 614 H GLN 94 H GLN 94 -3.872 0.558 -2.964 615 HA GLN 94 HA GLN 94 -1.821 0.019 -4.870 616 1HB GLN 94 1HB GLN 94 -0.766 2.128 -4.916 617 2HB GLN 94 2HB GLN 94 -2.481 2.507 -5.151 618 1HG GLN 94 1HG GLN 94 -2.312 2.580 -2.421 619 2HG GLN 94 2HG GLN 94 -0.677 3.109 -2.848 620 1HE2 GLN 94 1HE2 GLN 94 -4.113 3.727 -3.139 621 2HE2 GLN 94 2HE2 GLN 94 -4.023 5.394 -3.602 622 H VAL 95 H VAL 95 0.130 -0.611 -3.848 623 HA VAL 95 HA VAL 95 -0.080 -0.744 -0.926 624 HB VAL 95 HB VAL 95 0.013 -2.829 -2.413 625 1HG1 VAL 95 1HG1 VAL 95 2.033 -3.523 -3.361 626 2HG1 VAL 95 2HG1 VAL 95 1.966 -1.792 -3.770 627 3HG1 VAL 95 3HG1 VAL 95 2.991 -2.350 -2.427 628 1HG2 VAL 95 1HG2 VAL 95 1.407 -2.202 0.099 629 2HG2 VAL 95 2HG2 VAL 95 0.317 -3.550 -0.305 630 3HG2 VAL 95 3HG2 VAL 95 2.041 -3.642 -0.733 631 H GLY 96 H GLY 96 1.157 0.663 0.194 632 1HA GLY 96 1HA GLY 96 3.822 1.304 -0.856 633 2HA GLY 96 2HA GLY 96 2.705 2.618 -0.540 634 H LEU 97 H LEU 97 5.300 1.999 0.794 635 HA LEU 97 HA LEU 97 4.347 1.335 3.483 636 1HB LEU 97 1HB LEU 97 6.696 0.963 4.007 637 2HB LEU 97 2HB LEU 97 6.106 -0.089 2.708 638 HG LEU 97 HG LEU 97 7.167 1.697 1.135 639 1HD1 LEU 97 1HD1 LEU 97 7.967 2.678 3.756 640 2HD1 LEU 97 2HD1 LEU 97 9.364 2.367 2.698 641 3HD1 LEU 97 3HD1 LEU 97 8.064 3.457 2.160 642 1HD2 LEU 97 1HD2 LEU 97 9.375 0.274 2.459 643 2HD2 LEU 97 2HD2 LEU 97 7.974 -0.747 2.054 644 3HD2 LEU 97 3HD2 LEU 97 8.789 0.192 0.780 645 H SER 98 H SER 98 5.157 2.668 5.299 646 HA SER 98 HA SER 98 5.886 5.344 4.434 647 1HB SER 98 1HB SER 98 3.370 4.532 5.626 648 2HB SER 98 2HB SER 98 4.210 5.656 6.711 649 HG SER 98 HG SER 98 3.059 6.972 5.341 650 H ASP 99 H ASP 99 7.601 6.146 5.618 651 HA ASP 99 HA ASP 99 8.375 4.562 7.915 652 1HB ASP 99 1HB ASP 99 10.312 6.570 7.366 653 2HB ASP 99 2HB ASP 99 10.444 4.836 7.036 654 HD2 ASP 99 HD2 ASP 99 10.713 5.629 3.731 655 H ALA 100 H ALA 100 9.699 6.152 9.601 656 HA ALA 100 HA ALA 100 7.724 8.110 10.416 657 1HB ALA 100 1HB ALA 100 10.099 7.860 12.093 658 2HB ALA 100 2HB ALA 100 8.396 7.526 12.484 659 3HB ALA 100 3HB ALA 100 9.397 6.269 11.719 660 H ALA 101 H ALA 101 9.152 8.706 7.973 661 HA ALA 101 HA ALA 101 10.101 11.292 8.681 662 1HB ALA 101 1HB ALA 101 12.280 10.794 8.948 663 2HB ALA 101 2HB ALA 101 12.016 9.106 8.452 664 3HB ALA 101 3HB ALA 101 12.317 10.357 7.223 665 H GLY 102 H GLY 102 9.903 8.623 6.264 666 1HA GLY 102 1HA GLY 102 9.709 10.516 4.068 667 2HA GLY 102 2HA GLY 102 9.706 8.766 3.981 668 H ASN 103 H ASN 103 7.639 8.042 5.742 669 HA ASN 103 HA ASN 103 5.506 7.578 5.494 670 1HB ASN 103 1HB ASN 103 5.770 9.783 6.950 671 2HB ASN 103 2HB ASN 103 4.936 10.559 5.594 672 1HD2 ASN 103 1HD2 ASN 103 2.876 10.786 5.950 673 2HD2 ASN 103 2HD2 ASN 103 1.813 9.680 6.756 674 H GLY 104 H GLY 104 3.326 9.346 4.500 675 1HA GLY 104 1HA GLY 104 2.347 10.083 2.601 676 2HA GLY 104 2HA GLY 104 3.922 10.201 1.840 677 HA PRO 105 HA PRO 105 1.610 6.431 0.384 678 1HB PRO 105 1HB PRO 105 0.379 7.345 -1.876 679 2HB PRO 105 2HB PRO 105 -0.449 7.170 -0.332 680 1HG PRO 105 1HG PRO 105 0.555 9.594 -1.680 681 2HG PRO 105 2HG PRO 105 -0.686 9.464 -0.382 682 1HD PRO 105 1HD PRO 105 2.034 10.334 -0.165 683 2HD PRO 105 2HD PRO 105 0.902 10.071 1.167 684 H GLU 106 H GLU 106 1.971 5.098 -1.595 685 HA GLU 106 HA GLU 106 4.558 5.939 -2.598 686 1HB GLU 106 1HB GLU 106 3.145 3.284 -2.341 687 2HB GLU 106 2HB GLU 106 4.501 3.453 -3.471 688 1HG GLU 106 1HG GLU 106 4.537 4.016 -0.475 689 2HG GLU 106 2HG GLU 106 5.307 2.644 -1.286 690 HE2 GLU 106 HE2 GLU 106 7.438 5.774 -0.859 691 H GLY 107 H GLY 107 1.325 4.726 -3.681 692 1HA GLY 107 1HA GLY 107 0.210 5.583 -5.541 693 2HA GLY 107 2HA GLY 107 1.729 6.132 -6.221 694 H VAL 108 H VAL 108 1.904 2.951 -4.834 695 HA VAL 108 HA VAL 108 2.307 1.825 -7.438 696 HB VAL 108 HB VAL 108 2.377 0.713 -4.630 697 1HG1 VAL 108 1HG1 VAL 108 3.416 -1.301 -5.596 698 2HG1 VAL 108 2HG1 VAL 108 1.750 -1.074 -6.181 699 3HG1 VAL 108 3HG1 VAL 108 3.126 -0.664 -7.233 700 1HG2 VAL 108 1HG2 VAL 108 4.733 1.006 -6.479 701 2HG2 VAL 108 2HG2 VAL 108 4.137 2.407 -5.558 702 3HG2 VAL 108 3HG2 VAL 108 4.687 0.947 -4.700 703 H ALA 109 H ALA 109 0.158 2.228 -8.353 704 HA ALA 109 HA ALA 109 -2.127 1.059 -7.148 705 1HB ALA 109 1HB ALA 109 -2.992 1.479 -9.593 706 2HB ALA 109 2HB ALA 109 -2.584 2.867 -8.556 707 3HB ALA 109 3HB ALA 109 -1.437 2.319 -9.803 708 H ILE 110 H ILE 110 -2.393 -1.103 -6.906 709 HA ILE 110 HA ILE 110 -1.253 -2.822 -8.986 710 HB ILE 110 HB ILE 110 -1.857 -3.200 -6.073 711 1HG1 ILE 110 1HG1 ILE 110 0.596 -4.267 -7.295 712 2HG1 ILE 110 2HG1 ILE 110 0.432 -2.505 -7.398 713 1HG2 ILE 110 1HG2 ILE 110 -1.054 -5.663 -6.710 714 2HG2 ILE 110 2HG2 ILE 110 -2.769 -5.193 -6.664 715 3HG2 ILE 110 3HG2 ILE 110 -1.907 -5.262 -8.220 716 1HD1 ILE 110 1HD1 ILE 110 0.204 -4.184 -4.857 717 2HD1 ILE 110 2HD1 ILE 110 1.596 -3.174 -5.318 718 3HD1 ILE 110 3HD1 ILE 110 0.030 -2.414 -4.943 719 H SER 111 H SER 111 -2.539 -4.541 -9.890 720 HA SER 111 HA SER 111 -5.311 -3.763 -9.987 721 1HB SER 111 1HB SER 111 -3.496 -4.649 -11.892 722 2HB SER 111 2HB SER 111 -4.494 -6.086 -11.615 723 HG SER 111 HG SER 111 -6.378 -4.587 -11.935 724 H PHE 112 H PHE 112 -6.301 -4.557 -8.099 725 HA PHE 112 HA PHE 112 -5.787 -7.315 -7.360 726 1HB PHE 112 1HB PHE 112 -7.775 -5.364 -6.117 727 2HB PHE 112 2HB PHE 112 -6.857 -6.632 -5.300 728 HD1 PHE 112 1HD PHE 112 -6.636 -3.272 -6.815 729 HD2 PHE 112 2HD PHE 112 -4.702 -6.182 -4.406 730 HE1 PHE 112 1HE PHE 112 -4.924 -1.568 -6.130 731 HE2 PHE 112 2HE PHE 112 -2.990 -4.479 -3.722 732 HZ PHE 112 HZ PHE 112 -3.122 -2.192 -4.592 733 H ASN 113 H ASN 113 -7.547 -8.860 -7.016 734 HA ASN 113 HA ASN 113 -10.137 -8.248 -7.881 735 1HB ASN 113 1HB ASN 113 -8.207 -9.401 -9.851 736 2HB ASN 113 2HB ASN 113 -9.780 -10.206 -9.783 737 1HD2 ASN 113 1HD2 ASN 113 -8.978 -8.947 -12.048 738 2HD2 ASN 113 2HD2 ASN 113 -9.901 -7.510 -12.333 Start of MODEL 18 1 H ALA 1 H ALA 1 11.959 9.466 -9.503 2 HA ALA 1 HA ALA 1 12.370 10.620 -7.236 3 1HB ALA 1 1HB ALA 1 10.700 8.079 -7.338 4 2HB ALA 1 2HB ALA 1 10.433 9.510 -6.312 5 3HB ALA 1 3HB ALA 1 10.206 9.621 -8.074 6 H ALA 2 H ALA 2 11.570 7.891 -5.582 7 HA ALA 2 HA ALA 2 13.759 6.349 -5.235 8 1HB ALA 2 1HB ALA 2 14.295 9.069 -4.358 9 2HB ALA 2 2HB ALA 2 14.401 7.935 -2.991 10 3HB ALA 2 3HB ALA 2 15.395 7.673 -4.443 11 HA PRO 3 HA PRO 3 11.058 6.466 -1.362 12 1HB PRO 3 1HB PRO 3 9.331 8.538 -0.937 13 2HB PRO 3 2HB PRO 3 10.943 8.467 -0.229 14 1HG PRO 3 1HG PRO 3 9.944 10.045 -2.513 15 2HG PRO 3 2HG PRO 3 11.413 10.327 -1.509 16 1HD PRO 3 1HD PRO 3 11.245 9.263 -4.163 17 2HD PRO 3 2HD PRO 3 12.697 9.372 -3.160 18 H THR 4 H THR 4 10.311 4.724 -2.703 19 HA THR 4 HA THR 4 7.483 4.782 -2.859 20 HB THR 4 HB THR 4 7.745 4.332 -5.517 21 HG1 THR 4 1HG THR 4 9.477 5.782 -6.236 22 1HG2 THR 4 1HG2 THR 4 8.009 7.241 -5.002 23 2HG2 THR 4 2HG2 THR 4 6.674 6.352 -5.772 24 3HG2 THR 4 3HG2 THR 4 6.761 6.463 -3.998 25 H ALA 5 H ALA 5 6.644 2.734 -2.859 26 HA ALA 5 HA ALA 5 8.668 0.622 -2.869 27 1HB ALA 5 1HB ALA 5 7.094 1.107 -0.882 28 2HB ALA 5 2HB ALA 5 5.802 0.425 -1.900 29 3HB ALA 5 3HB ALA 5 7.200 -0.578 -1.446 30 H THR 6 H THR 6 7.802 -1.574 -3.726 31 HA THR 6 HA THR 6 5.830 -1.357 -5.817 32 HB THR 6 HB THR 6 7.291 -1.580 -7.664 33 HG1 THR 6 1HG THR 6 8.936 -3.014 -7.308 34 1HG2 THR 6 1HG2 THR 6 8.951 -0.055 -5.588 35 2HG2 THR 6 2HG2 THR 6 9.275 -0.065 -7.338 36 3HG2 THR 6 3HG2 THR 6 7.776 0.665 -6.715 37 H VAL 7 H VAL 7 5.283 -3.453 -6.758 38 HA VAL 7 HA VAL 7 6.150 -5.636 -4.990 39 HB VAL 7 HB VAL 7 3.441 -5.383 -6.291 40 1HG1 VAL 7 1HG1 VAL 7 4.770 -7.467 -4.897 41 2HG1 VAL 7 2HG1 VAL 7 3.499 -6.847 -3.817 42 3HG1 VAL 7 3HG1 VAL 7 3.079 -7.416 -5.450 43 1HG2 VAL 7 1HG2 VAL 7 3.674 -3.452 -4.844 44 2HG2 VAL 7 2HG2 VAL 7 2.593 -4.639 -4.074 45 3HG2 VAL 7 3HG2 VAL 7 4.275 -4.474 -3.517 46 H THR 8 H THR 8 6.906 -7.474 -5.975 47 HA THR 8 HA THR 8 7.943 -7.531 -8.426 48 HB THR 8 HB THR 8 6.882 -9.546 -6.497 49 HG1 THR 8 1HG THR 8 9.096 -9.805 -6.504 50 1HG2 THR 8 1HG2 THR 8 6.104 -10.919 -8.216 51 2HG2 THR 8 2HG2 THR 8 7.054 -10.068 -9.457 52 3HG2 THR 8 3HG2 THR 8 7.845 -11.251 -8.388 53 HA PRO 9 HA PRO 9 3.990 -8.898 -10.536 54 1HB PRO 9 1HB PRO 9 1.669 -9.222 -9.131 55 2HB PRO 9 2HB PRO 9 2.770 -10.550 -9.493 56 1HG PRO 9 1HG PRO 9 2.349 -9.067 -6.978 57 2HG PRO 9 2HG PRO 9 3.092 -10.690 -7.214 58 1HD PRO 9 1HD PRO 9 4.393 -8.202 -6.653 59 2HD PRO 9 2HD PRO 9 5.178 -9.740 -7.035 60 H SER 10 H SER 10 1.350 -8.054 -10.671 61 HA SER 10 HA SER 10 1.453 -5.285 -9.931 62 1HB SER 10 1HB SER 10 2.608 -5.436 -12.165 63 2HB SER 10 2HB SER 10 1.104 -6.064 -12.859 64 HG SER 10 HG SER 10 0.919 -3.654 -11.375 65 H SER 11 H SER 11 -0.111 -7.847 -9.409 66 HA SER 11 HA SER 11 -2.676 -6.634 -9.694 67 1HB SER 11 1HB SER 11 -1.805 -8.698 -11.538 68 2HB SER 11 2HB SER 11 -3.174 -9.288 -10.578 69 HG SER 11 HG SER 11 -3.602 -8.042 -12.664 70 H GLY 12 H GLY 12 -3.060 -6.695 -7.481 71 1HA GLY 12 1HA GLY 12 -2.261 -8.956 -5.887 72 2HA GLY 12 2HA GLY 12 -3.116 -7.519 -5.363 73 H LEU 13 H LEU 13 -4.509 -8.955 -8.195 74 HA LEU 13 HA LEU 13 -6.934 -9.280 -7.791 75 1HB LEU 13 1HB LEU 13 -5.623 -11.931 -8.214 76 2HB LEU 13 2HB LEU 13 -7.060 -11.246 -8.996 77 HG LEU 13 HG LEU 13 -4.189 -10.392 -9.464 78 1HD1 LEU 13 1HD1 LEU 13 -4.935 -12.689 -10.312 79 2HD1 LEU 13 2HD1 LEU 13 -5.983 -11.796 -11.440 80 3HD1 LEU 13 3HD1 LEU 13 -4.219 -11.564 -11.491 81 1HD2 LEU 13 1HD2 LEU 13 -6.624 -8.998 -9.940 82 2HD2 LEU 13 2HD2 LEU 13 -4.967 -8.543 -10.405 83 3HD2 LEU 13 3HD2 LEU 13 -5.968 -9.512 -11.513 84 H SER 14 H SER 14 -5.026 -11.971 -6.265 85 HA SER 14 HA SER 14 -7.078 -12.707 -4.591 86 1HB SER 14 1HB SER 14 -4.298 -13.379 -5.022 87 2HB SER 14 2HB SER 14 -4.625 -13.334 -3.280 88 HG SER 14 HG SER 14 -5.037 -15.401 -4.666 89 H ASP 15 H ASP 15 -8.010 -11.564 -2.938 90 HA ASP 15 HA ASP 15 -7.108 -9.193 -2.014 91 1HB ASP 15 1HB ASP 15 -9.367 -9.987 -1.592 92 2HB ASP 15 2HB ASP 15 -8.768 -11.334 -0.612 93 HD2 ASP 15 HD2 ASP 15 -8.477 -9.337 2.200 94 H GLY 16 H GLY 16 -4.972 -8.981 -1.231 95 1HA GLY 16 1HA GLY 16 -3.579 -8.988 0.641 96 2HA GLY 16 2HA GLY 16 -4.325 -10.467 1.212 97 H THR 17 H THR 17 -3.199 -9.839 -2.152 98 HA THR 17 HA THR 17 -1.819 -12.284 -2.283 99 HB THR 17 HB THR 17 -1.965 -9.743 -3.961 100 HG1 THR 17 1HG THR 17 -3.670 -11.513 -3.721 101 1HG2 THR 17 1HG2 THR 17 0.206 -11.579 -4.060 102 2HG2 THR 17 2HG2 THR 17 -0.911 -12.103 -5.342 103 3HG2 THR 17 3HG2 THR 17 -0.278 -10.439 -5.339 104 H VAL 18 H VAL 18 -0.423 -12.486 -0.498 105 HA VAL 18 HA VAL 18 1.573 -10.499 -0.040 106 HB VAL 18 HB VAL 18 1.543 -13.338 0.970 107 1HG1 VAL 18 1HG1 VAL 18 2.279 -11.614 3.016 108 2HG1 VAL 18 2HG1 VAL 18 3.382 -12.582 2.007 109 3HG1 VAL 18 3HG1 VAL 18 3.032 -10.892 1.575 110 1HG2 VAL 18 1HG2 VAL 18 -0.376 -11.151 1.505 111 2HG2 VAL 18 2HG2 VAL 18 -0.543 -12.909 1.725 112 3HG2 VAL 18 3HG2 VAL 18 0.302 -11.937 2.952 113 H VAL 19 H VAL 19 2.978 -10.149 -1.725 114 HA VAL 19 HA VAL 19 4.520 -12.498 -2.558 115 HB VAL 19 HB VAL 19 4.584 -11.392 -4.850 116 1HG1 VAL 19 1HG1 VAL 19 3.444 -13.391 -4.869 117 2HG1 VAL 19 2HG1 VAL 19 2.267 -12.863 -3.643 118 3HG1 VAL 19 3HG1 VAL 19 2.131 -12.277 -5.319 119 1HG2 VAL 19 1HG2 VAL 19 3.707 -9.268 -4.667 120 2HG2 VAL 19 2HG2 VAL 19 2.280 -10.163 -5.241 121 3HG2 VAL 19 3HG2 VAL 19 2.445 -9.766 -3.513 122 H LYS 20 H LYS 20 6.604 -11.663 -3.770 123 HA LYS 20 HA LYS 20 8.110 -10.261 -1.961 124 1HB LYS 20 1HB LYS 20 8.387 -11.232 -4.709 125 2HB LYS 20 2HB LYS 20 9.409 -9.829 -4.349 126 1HG LYS 20 1HG LYS 20 10.386 -10.974 -2.437 127 2HG LYS 20 2HG LYS 20 9.252 -12.326 -2.598 128 1HD LYS 20 1HD LYS 20 10.242 -12.975 -4.718 129 2HD LYS 20 2HD LYS 20 11.254 -11.519 -4.758 130 1HE LYS 20 1HE LYS 20 12.386 -12.316 -2.663 131 2HE LYS 20 2HE LYS 20 11.431 -13.803 -2.735 132 1HZ LYS 20 1HZ LYS 20 12.583 -13.422 -5.208 133 2HZ LYS 20 2HZ LYS 20 13.766 -13.164 -4.111 134 3HZ LYS 20 3HZ LYS 20 12.944 -14.575 -4.110 135 H VAL 21 H VAL 21 8.763 -8.109 -1.692 136 HA VAL 21 HA VAL 21 7.671 -6.137 -3.510 137 HB VAL 21 HB VAL 21 6.837 -6.468 -0.640 138 1HG1 VAL 21 1HG1 VAL 21 5.772 -4.042 -1.350 139 2HG1 VAL 21 2HG1 VAL 21 7.213 -4.268 -0.329 140 3HG1 VAL 21 3HG1 VAL 21 7.396 -3.951 -2.071 141 1HG2 VAL 21 1HG2 VAL 21 5.514 -6.375 -3.309 142 2HG2 VAL 21 2HG2 VAL 21 5.130 -7.347 -1.869 143 3HG2 VAL 21 3HG2 VAL 21 4.643 -5.636 -1.945 144 H ALA 22 H ALA 22 9.155 -4.545 -3.835 145 HA ALA 22 HA ALA 22 11.173 -4.172 -1.739 146 1HB ALA 22 1HB ALA 22 11.922 -5.641 -3.716 147 2HB ALA 22 2HB ALA 22 11.812 -4.165 -4.705 148 3HB ALA 22 3HB ALA 22 12.938 -4.233 -3.329 149 H GLY 23 H GLY 23 12.273 -2.014 -1.917 150 1HA GLY 23 1HA GLY 23 12.325 0.176 -2.764 151 2HA GLY 23 2HA GLY 23 10.718 -0.031 -3.429 152 H ALA 24 H ALA 24 10.997 2.247 -2.048 153 HA ALA 24 HA ALA 24 9.056 2.471 -0.309 154 1HB ALA 24 1HB ALA 24 9.609 0.824 1.234 155 2HB ALA 24 2HB ALA 24 11.359 1.095 1.057 156 3HB ALA 24 3HB ALA 24 10.368 2.251 1.979 157 H GLY 25 H GLY 25 10.298 3.942 1.905 158 1HA GLY 25 1HA GLY 25 10.746 6.402 0.628 159 2HA GLY 25 2HA GLY 25 11.037 6.025 2.314 160 H LEU 26 H LEU 26 12.761 3.693 0.670 161 HA LEU 26 HA LEU 26 14.946 3.352 0.492 162 1HB LEU 26 1HB LEU 26 14.591 4.226 -1.650 163 2HB LEU 26 2HB LEU 26 14.571 5.900 -1.066 164 HG LEU 26 HG LEU 26 17.094 4.866 -0.365 165 1HD1 LEU 26 1HD1 LEU 26 16.139 3.824 -3.009 166 2HD1 LEU 26 2HD1 LEU 26 17.840 4.310 -2.812 167 3HD1 LEU 26 3HD1 LEU 26 17.150 3.044 -1.769 168 1HD2 LEU 26 1HD2 LEU 26 17.939 6.546 -1.888 169 2HD2 LEU 26 2HD2 LEU 26 16.360 6.650 -2.703 170 3HD2 LEU 26 3HD2 LEU 26 16.525 7.183 -1.012 171 H GLN 27 H GLN 27 14.696 3.863 3.000 172 HA GLN 27 HA GLN 27 16.065 6.265 3.733 173 1HB GLN 27 1HB GLN 27 14.254 5.577 5.150 174 2HB GLN 27 2HB GLN 27 14.912 3.942 5.327 175 1HG GLN 27 1HG GLN 27 16.363 4.584 6.961 176 2HG GLN 27 2HG GLN 27 16.787 6.093 6.138 177 1HE2 GLN 27 1HE2 GLN 27 16.719 6.978 8.294 178 2HE2 GLN 27 2HE2 GLN 27 15.217 7.501 8.982 179 H ALA 28 H ALA 28 16.729 3.296 5.538 180 HA ALA 28 HA ALA 28 18.963 2.316 4.359 181 1HB ALA 28 1HB ALA 28 20.618 3.664 6.046 182 2HB ALA 28 2HB ALA 28 20.342 4.136 4.352 183 3HB ALA 28 3HB ALA 28 19.449 4.950 5.660 184 H GLY 29 H GLY 29 18.258 0.418 5.338 185 1HA GLY 29 1HA GLY 29 17.867 -1.078 6.974 186 2HA GLY 29 2HA GLY 29 19.227 -0.327 7.783 187 H THR 30 H THR 30 16.051 1.200 6.993 188 HA THR 30 HA THR 30 15.590 1.441 9.895 189 HB THR 30 HB THR 30 14.961 3.365 7.593 190 HG1 THR 30 1HG THR 30 16.557 4.596 8.963 191 1HG2 THR 30 1HG2 THR 30 13.274 3.898 9.165 192 2HG2 THR 30 2HG2 THR 30 14.247 3.329 10.542 193 3HG2 THR 30 3HG2 THR 30 14.633 4.881 9.761 194 H ALA 31 H ALA 31 13.335 1.493 10.594 195 HA ALA 31 HA ALA 31 11.904 -0.631 9.463 196 1HB ALA 31 1HB ALA 31 11.252 1.546 11.473 197 2HB ALA 31 2HB ALA 31 10.082 0.279 11.029 198 3HB ALA 31 3HB ALA 31 11.634 -0.165 11.781 199 H TYR 32 H TYR 32 9.850 -0.628 8.341 200 HA TYR 32 HA TYR 32 9.017 1.906 7.190 201 1HB TYR 32 1HB TYR 32 10.473 -0.376 5.888 202 2HB TYR 32 2HB TYR 32 9.036 0.152 5.006 203 HD1 TYR 32 1HD TYR 32 8.957 2.966 5.064 204 HD2 TYR 32 2HD TYR 32 12.424 0.459 4.995 205 HE1 TYR 32 1HE TYR 32 10.310 4.854 4.029 206 HE2 TYR 32 2HE TYR 32 13.764 2.354 3.961 207 HH TYR 32 HH TYR 32 12.443 5.566 3.701 208 H ASP 33 H ASP 33 7.186 1.394 8.654 209 HA ASP 33 HA ASP 33 5.751 -0.893 8.602 210 1HB ASP 33 1HB ASP 33 4.390 1.814 8.631 211 2HB ASP 33 2HB ASP 33 3.964 0.369 9.560 212 HD2 ASP 33 HD2 ASP 33 6.781 2.800 10.946 213 H VAL 34 H VAL 34 4.485 -1.901 7.021 214 HA VAL 34 HA VAL 34 4.322 -0.815 4.437 215 HB VAL 34 HB VAL 34 2.906 -3.114 5.794 216 1HG1 VAL 34 1HG1 VAL 34 2.286 -3.919 3.591 217 2HG1 VAL 34 2HG1 VAL 34 1.631 -2.281 3.830 218 3HG1 VAL 34 3HG1 VAL 34 3.077 -2.523 2.820 219 1HG2 VAL 34 1HG2 VAL 34 5.352 -2.969 4.002 220 2HG2 VAL 34 2HG2 VAL 34 5.296 -3.435 5.719 221 3HG2 VAL 34 3HG2 VAL 34 4.545 -4.479 4.488 222 H GLY 35 H GLY 35 2.446 -0.099 3.238 223 1HA GLY 35 1HA GLY 35 0.104 0.642 4.834 224 2HA GLY 35 2HA GLY 35 1.019 1.928 4.072 225 H GLN 36 H GLN 36 -1.790 0.781 3.593 226 HA GLN 36 HA GLN 36 -1.416 0.462 0.726 227 1HB GLN 36 1HB GLN 36 -2.690 -1.404 2.623 228 2HB GLN 36 2HB GLN 36 -3.712 -1.014 1.228 229 1HG GLN 36 1HG GLN 36 -1.233 -1.410 0.059 230 2HG GLN 36 2HG GLN 36 -1.205 -2.593 1.375 231 1HE2 GLN 36 1HE2 GLN 36 -3.275 -1.319 -1.219 232 2HE2 GLN 36 2HE2 GLN 36 -4.017 -2.817 -1.669 233 H CYS 37 H CYS 37 -2.403 2.148 -0.288 234 HA CYS 37 HA CYS 37 -4.877 3.134 0.932 235 1HB CYS 37 1HB CYS 37 -2.956 4.910 -0.533 236 2HB CYS 37 2HB CYS 37 -4.309 5.371 0.517 237 H ALA 38 H ALA 38 -6.075 4.554 -0.892 238 HA ALA 38 HA ALA 38 -5.580 3.533 -3.556 239 1HB ALA 38 1HB ALA 38 -7.177 1.985 -2.076 240 2HB ALA 38 2HB ALA 38 -8.381 3.216 -2.526 241 3HB ALA 38 3HB ALA 38 -7.522 2.307 -3.793 242 H TRP 39 H TRP 39 -7.040 4.677 -5.167 243 HA TRP 39 HA TRP 39 -7.313 7.434 -4.295 244 1HB TRP 39 1HB TRP 39 -7.568 6.227 -7.049 245 2HB TRP 39 2HB TRP 39 -7.499 7.945 -6.654 246 HD1 TRP 39 HD TRP 39 -4.978 7.021 -4.419 247 HE1 TRP 39 1HE TRP 39 -2.519 6.905 -5.372 248 HE3 TRP 39 3HE TRP 39 -6.326 6.757 -9.315 249 HZ2 TRP 39 2HZ TRP 39 -1.440 6.719 -8.008 250 HZ3 TRP 39 3HZ TRP 39 -4.509 6.611 -11.014 251 HH2 TRP 39 HH TRP 39 -2.136 6.589 -10.428 252 H VAL 40 H VAL 40 -9.312 8.566 -4.339 253 HA VAL 40 HA VAL 40 -11.653 6.818 -4.667 254 HB VAL 40 HB VAL 40 -11.473 9.247 -2.892 255 1HG1 VAL 40 1HG1 VAL 40 -13.574 8.757 -2.233 256 2HG1 VAL 40 2HG1 VAL 40 -13.651 7.833 -3.752 257 3HG1 VAL 40 3HG1 VAL 40 -13.271 7.003 -2.224 258 1HG2 VAL 40 1HG2 VAL 40 -9.926 8.025 -1.745 259 2HG2 VAL 40 2HG2 VAL 40 -11.392 7.252 -1.096 260 3HG2 VAL 40 3HG2 VAL 40 -10.485 6.475 -2.416 261 H ASP 41 H ASP 41 -12.853 9.806 -4.070 262 HA ASP 41 HA ASP 41 -13.758 10.177 -6.625 263 1HB ASP 41 1HB ASP 41 -13.356 12.290 -4.463 264 2HB ASP 41 2HB ASP 41 -14.468 12.423 -5.834 265 HD2 ASP 41 HD2 ASP 41 -16.545 11.425 -3.149 266 H THR 42 H THR 42 -13.374 12.737 -7.538 267 HA THR 42 HA THR 42 -10.716 12.671 -8.551 268 HB THR 42 HB THR 42 -12.987 14.720 -8.726 269 HG1 THR 42 1HG THR 42 -13.137 13.525 -10.833 270 1HG2 THR 42 1HG2 THR 42 -11.634 15.980 -10.067 271 2HG2 THR 42 2HG2 THR 42 -10.263 14.949 -9.593 272 3HG2 THR 42 3HG2 THR 42 -11.226 14.544 -11.035 273 H GLY 43 H GLY 43 -9.250 12.778 -6.831 274 1HA GLY 43 1HA GLY 43 -7.726 14.408 -5.976 275 2HA GLY 43 2HA GLY 43 -9.076 15.472 -5.635 276 H VAL 44 H VAL 44 -10.384 12.565 -4.860 277 HA VAL 44 HA VAL 44 -9.644 12.895 -2.058 278 HB VAL 44 HB VAL 44 -11.896 11.394 -3.408 279 1HG1 VAL 44 1HG1 VAL 44 -12.528 10.531 -1.426 280 2HG1 VAL 44 2HG1 VAL 44 -10.847 10.842 -0.932 281 3HG1 VAL 44 3HG1 VAL 44 -12.123 12.019 -0.537 282 1HG2 VAL 44 1HG2 VAL 44 -12.132 13.812 -3.637 283 2HG2 VAL 44 2HG2 VAL 44 -13.328 13.182 -2.479 284 3HG2 VAL 44 3HG2 VAL 44 -11.876 14.025 -1.889 285 H LEU 45 H LEU 45 -8.649 11.285 -0.850 286 HA LEU 45 HA LEU 45 -8.078 8.787 -2.265 287 1HB LEU 45 1HB LEU 45 -6.225 10.583 -2.340 288 2HB LEU 45 2HB LEU 45 -5.961 10.155 -0.640 289 HG LEU 45 HG LEU 45 -6.014 7.988 -2.710 290 1HD1 LEU 45 1HD1 LEU 45 -3.610 8.289 -3.139 291 2HD1 LEU 45 2HD1 LEU 45 -4.579 9.660 -3.731 292 3HD1 LEU 45 3HD1 LEU 45 -3.646 9.816 -2.223 293 1HD2 LEU 45 1HD2 LEU 45 -5.239 8.302 0.076 294 2HD2 LEU 45 2HD2 LEU 45 -5.554 6.827 -0.869 295 3HD2 LEU 45 3HD2 LEU 45 -3.940 7.578 -0.902 296 H ALA 46 H ALA 46 -7.929 6.944 -0.920 297 HA ALA 46 HA ALA 46 -8.582 7.459 1.899 298 1HB ALA 46 1HB ALA 46 -10.090 5.488 1.787 299 2HB ALA 46 2HB ALA 46 -10.615 6.792 0.695 300 3HB ALA 46 3HB ALA 46 -9.778 5.364 0.038 301 H CYS 47 H CYS 47 -7.084 6.599 3.245 302 HA CYS 47 HA CYS 47 -5.241 4.671 2.097 303 1HB CYS 47 1HB CYS 47 -5.124 6.730 4.160 304 2HB CYS 47 2HB CYS 47 -4.353 5.210 4.648 305 H ASN 48 H ASN 48 -4.638 2.741 3.496 306 HA ASN 48 HA ASN 48 -7.026 1.837 4.899 307 1HB ASN 48 1HB ASN 48 -6.162 0.589 2.800 308 2HB ASN 48 2HB ASN 48 -4.792 0.071 3.791 309 1HD2 ASN 48 1HD2 ASN 48 -5.967 -1.969 2.940 310 2HD2 ASN 48 2HD2 ASN 48 -7.096 -2.705 4.027 311 HA PRO 49 HA PRO 49 -3.909 2.148 8.141 312 1HB PRO 49 1HB PRO 49 -5.632 2.741 10.177 313 2HB PRO 49 2HB PRO 49 -4.851 3.971 9.185 314 1HG PRO 49 1HG PRO 49 -7.620 2.957 9.118 315 2HG PRO 49 2HG PRO 49 -6.974 4.505 8.461 316 1HD PRO 49 1HD PRO 49 -7.716 2.137 7.033 317 2HD PRO 49 2HD PRO 49 -6.935 3.574 6.360 318 H ALA 50 H ALA 50 -4.820 -0.284 7.069 319 HA ALA 50 HA ALA 50 -4.973 -1.774 9.594 320 1HB ALA 50 1HB ALA 50 -6.863 -1.697 7.355 321 2HB ALA 50 2HB ALA 50 -6.267 -3.343 7.680 322 3HB ALA 50 3HB ALA 50 -7.048 -2.408 8.977 323 H ASP 51 H ASP 51 -3.152 -0.924 6.953 324 HA ASP 51 HA ASP 51 -2.299 -3.144 5.742 325 1HB ASP 51 1HB ASP 51 0.047 -1.986 5.850 326 2HB ASP 51 2HB ASP 51 -1.281 -1.144 5.037 327 HD2 ASP 51 HD2 ASP 51 0.139 0.339 8.442 328 H PHE 52 H PHE 52 -1.012 -1.741 8.853 329 HA PHE 52 HA PHE 52 0.005 -2.649 10.586 330 1HB PHE 52 1HB PHE 52 -1.543 -4.900 9.320 331 2HB PHE 52 2HB PHE 52 -0.292 -5.405 10.460 332 HD1 PHE 52 1HD PHE 52 -3.533 -5.351 10.421 333 HD2 PHE 52 2HD PHE 52 -0.476 -3.238 12.469 334 HE1 PHE 52 1HE PHE 52 -5.111 -4.911 12.323 335 HE2 PHE 52 2HE PHE 52 -2.053 -2.798 14.370 336 HZ PHE 52 HZ PHE 52 -4.353 -3.639 14.275 337 H SER 53 H SER 53 0.435 -4.881 7.744 338 HA SER 53 HA SER 53 2.681 -6.079 8.242 339 1HB SER 53 1HB SER 53 1.698 -4.713 5.761 340 2HB SER 53 2HB SER 53 3.334 -5.394 5.728 341 HG SER 53 HG SER 53 1.087 -6.939 6.650 342 H SER 54 H SER 54 5.013 -5.692 8.022 343 HA SER 54 HA SER 54 5.784 -2.920 7.844 344 1HB SER 54 1HB SER 54 7.227 -3.176 9.911 345 2HB SER 54 2HB SER 54 5.485 -3.105 10.227 346 HG SER 54 HG SER 54 7.012 -5.555 9.997 347 H VAL 55 H VAL 55 7.941 -2.660 7.064 348 HA VAL 55 HA VAL 55 9.434 -5.147 6.651 349 HB VAL 55 HB VAL 55 8.079 -4.477 4.637 350 1HG1 VAL 55 1HG1 VAL 55 8.793 -2.592 3.295 351 2HG1 VAL 55 2HG1 VAL 55 8.360 -2.018 4.924 352 3HG1 VAL 55 3HG1 VAL 55 10.073 -2.193 4.467 353 1HG2 VAL 55 1HG2 VAL 55 10.913 -4.255 3.773 354 2HG2 VAL 55 2HG2 VAL 55 10.511 -5.645 4.810 355 3HG2 VAL 55 3HG2 VAL 55 9.644 -5.400 3.276 356 H THR 56 H THR 56 11.758 -4.424 5.720 357 HA THR 56 HA THR 56 12.591 -2.066 7.275 358 HB THR 56 HB THR 56 13.537 -4.931 7.307 359 HG1 THR 56 1HG THR 56 13.191 -4.410 9.446 360 1HG2 THR 56 1HG2 THR 56 15.569 -3.667 6.536 361 2HG2 THR 56 2HG2 THR 56 15.325 -2.506 7.863 362 3HG2 THR 56 3HG2 THR 56 15.730 -4.200 8.227 363 H ALA 57 H ALA 57 14.582 -1.030 6.518 364 HA ALA 57 HA ALA 57 14.599 -1.049 3.620 365 1HB ALA 57 1HB ALA 57 14.670 0.951 5.471 366 2HB ALA 57 2HB ALA 57 16.409 0.744 5.154 367 3HB ALA 57 3HB ALA 57 15.297 1.113 3.813 368 H ASP 58 H ASP 58 16.634 -1.181 2.394 369 HA ASP 58 HA ASP 58 18.552 -2.849 3.824 370 1HB ASP 58 1HB ASP 58 19.109 -3.691 1.456 371 2HB ASP 58 2HB ASP 58 17.563 -4.215 2.139 372 HD2 ASP 58 HD2 ASP 58 16.462 -3.268 -1.011 373 H ALA 59 H ALA 59 20.575 -1.869 4.016 374 HA ALA 59 HA ALA 59 22.004 -0.119 3.867 375 1HB ALA 59 1HB ALA 59 23.130 -1.738 2.573 376 2HB ALA 59 2HB ALA 59 21.992 -1.576 1.213 377 3HB ALA 59 3HB ALA 59 23.168 -0.282 1.550 378 H ASN 60 H ASN 60 21.138 0.168 0.416 379 HA ASN 60 HA ASN 60 21.152 2.785 0.229 380 1HB ASN 60 1HB ASN 60 19.658 0.616 -1.135 381 2HB ASN 60 2HB ASN 60 18.905 2.206 -1.334 382 1HD2 ASN 60 1HD2 ASN 60 19.431 1.952 -3.573 383 2HD2 ASN 60 2HD2 ASN 60 21.011 2.343 -4.168 384 H GLY 61 H GLY 61 18.367 0.755 1.355 385 1HA GLY 61 1HA GLY 61 17.156 1.757 3.271 386 2HA GLY 61 2HA GLY 61 17.035 3.219 2.312 387 H SER 62 H SER 62 16.922 0.550 0.204 388 HA SER 62 HA SER 62 14.145 0.996 -0.219 389 1HB SER 62 1HB SER 62 16.295 -0.649 -1.555 390 2HB SER 62 2HB SER 62 14.596 -0.900 -1.992 391 HG SER 62 HG SER 62 16.322 1.080 -2.775 392 H ALA 63 H ALA 63 12.428 -0.354 0.356 393 HA ALA 63 HA ALA 63 12.893 -2.265 2.376 394 1HB ALA 63 1HB ALA 63 10.586 -2.294 2.555 395 2HB ALA 63 2HB ALA 63 10.812 -0.736 1.725 396 3HB ALA 63 3HB ALA 63 10.339 -2.179 0.797 397 H SER 64 H SER 64 12.263 -4.589 2.277 398 HA SER 64 HA SER 64 12.127 -5.762 -0.307 399 1HB SER 64 1HB SER 64 14.172 -7.255 0.198 400 2HB SER 64 2HB SER 64 14.490 -5.605 -0.370 401 HG SER 64 HG SER 64 15.836 -6.114 1.434 402 H THR 65 H THR 65 10.312 -6.963 0.240 403 HA THR 65 HA THR 65 10.545 -9.284 1.717 404 HB THR 65 HB THR 65 10.573 -7.139 3.470 405 HG1 THR 65 1HG THR 65 9.157 -9.654 3.921 406 1HG2 THR 65 1HG2 THR 65 8.090 -6.728 2.804 407 2HG2 THR 65 2HG2 THR 65 7.752 -8.306 3.558 408 3HG2 THR 65 3HG2 THR 65 8.416 -6.975 4.537 409 H SER 66 H SER 66 8.235 -10.176 2.306 410 HA SER 66 HA SER 66 6.723 -9.698 -0.082 411 1HB SER 66 1HB SER 66 6.153 -11.641 2.188 412 2HB SER 66 2HB SER 66 5.474 -11.697 0.551 413 HG SER 66 HG SER 66 7.184 -12.824 -0.043 414 H LEU 67 H LEU 67 4.970 -8.338 -0.176 415 HA LEU 67 HA LEU 67 3.751 -7.600 2.393 416 1HB LEU 67 1HB LEU 67 4.698 -6.051 0.107 417 2HB LEU 67 2HB LEU 67 3.057 -5.625 0.622 418 HG LEU 67 HG LEU 67 3.774 -4.866 2.698 419 1HD1 LEU 67 1HD1 LEU 67 5.950 -6.837 2.351 420 2HD1 LEU 67 2HD1 LEU 67 6.386 -5.352 3.231 421 3HD1 LEU 67 3HD1 LEU 67 5.039 -6.363 3.805 422 1HD2 LEU 67 1HD2 LEU 67 6.324 -4.031 1.527 423 2HD2 LEU 67 2HD2 LEU 67 4.936 -3.816 0.434 424 3HD2 LEU 67 3HD2 LEU 67 4.922 -3.065 2.047 425 H THR 68 H THR 68 1.467 -7.533 2.537 426 HA THR 68 HA THR 68 0.173 -9.283 0.623 427 HB THR 68 HB THR 68 -0.276 -9.775 2.930 428 HG1 THR 68 1HG THR 68 -2.367 -9.786 2.193 429 1HG2 THR 68 1HG2 THR 68 -0.177 -6.824 3.210 430 2HG2 THR 68 2HG2 THR 68 -1.568 -7.557 4.043 431 3HG2 THR 68 3HG2 THR 68 0.086 -8.081 4.443 432 H VAL 69 H VAL 69 -0.736 -8.561 -1.188 433 HA VAL 69 HA VAL 69 -1.371 -5.752 -1.388 434 HB VAL 69 HB VAL 69 -1.864 -7.858 -3.475 435 1HG1 VAL 69 1HG1 VAL 69 -0.856 -5.721 -4.777 436 2HG1 VAL 69 2HG1 VAL 69 -2.589 -5.923 -4.422 437 3HG1 VAL 69 3HG1 VAL 69 -1.579 -4.899 -3.373 438 1HG2 VAL 69 1HG2 VAL 69 0.724 -6.647 -3.812 439 2HG2 VAL 69 2HG2 VAL 69 0.639 -7.423 -2.213 440 3HG2 VAL 69 3HG2 VAL 69 0.297 -8.370 -3.681 441 H ARG 70 H ARG 70 -2.976 -6.296 0.542 442 HA ARG 70 HA ARG 70 -5.189 -7.741 0.288 443 1HB ARG 70 1HB ARG 70 -5.067 -4.881 1.351 444 2HB ARG 70 2HB ARG 70 -6.302 -6.076 1.781 445 1HG ARG 70 1HG ARG 70 -4.963 -6.946 3.368 446 2HG ARG 70 2HG ARG 70 -3.656 -7.203 2.197 447 1HD ARG 70 1HD ARG 70 -4.008 -4.374 2.961 448 2HD ARG 70 2HD ARG 70 -3.609 -5.410 4.339 449 HE ARG 70 HE ARG 70 -1.823 -6.196 2.363 450 1HH1 ARG 70 1HH1 ARG 70 -2.630 -3.116 3.863 451 2HH1 ARG 70 2HH1 ARG 70 -1.045 -2.450 3.646 452 1HH2 ARG 70 1HH2 ARG 70 0.267 -5.317 2.076 453 2HH2 ARG 70 2HH2 ARG 70 0.613 -3.710 2.622 454 H ARG 71 H ARG 71 -7.151 -7.670 -0.854 455 HA ARG 71 HA ARG 71 -7.224 -5.733 -2.969 456 1HB ARG 71 1HB ARG 71 -7.680 -7.971 -3.676 457 2HB ARG 71 2HB ARG 71 -8.808 -8.259 -2.340 458 1HG ARG 71 1HG ARG 71 -9.922 -6.065 -3.625 459 2HG ARG 71 2HG ARG 71 -9.267 -7.001 -4.980 460 1HD ARG 71 1HD ARG 71 -11.242 -7.922 -2.851 461 2HD ARG 71 2HD ARG 71 -11.541 -7.762 -4.589 462 HE ARG 71 HE ARG 71 -9.356 -9.598 -3.959 463 1HH1 ARG 71 1HH1 ARG 71 -12.846 -9.313 -4.294 464 2HH1 ARG 71 2HH1 ARG 71 -13.082 -10.998 -4.616 465 1HH2 ARG 71 1HH2 ARG 71 -9.665 -11.822 -4.384 466 2HH2 ARG 71 2HH2 ARG 71 -11.260 -12.436 -4.668 467 H SER 72 H SER 72 -9.801 -7.172 -0.830 468 HA SER 72 HA SER 72 -11.063 -4.562 -0.834 469 1HB SER 72 1HB SER 72 -13.097 -5.641 -0.437 470 2HB SER 72 2HB SER 72 -12.249 -6.815 -1.459 471 HG SER 72 HG SER 72 -13.364 -7.558 0.631 472 H PHE 73 H PHE 73 -11.895 -3.661 1.225 473 HA PHE 73 HA PHE 73 -11.424 -4.798 3.701 474 1HB PHE 73 1HB PHE 73 -9.451 -3.152 4.265 475 2HB PHE 73 2HB PHE 73 -9.044 -4.601 3.339 476 HD1 PHE 73 1HD PHE 73 -7.656 -4.292 1.533 477 HD2 PHE 73 2HD PHE 73 -10.196 -1.100 2.700 478 HE1 PHE 73 1HE PHE 73 -6.662 -2.846 -0.262 479 HE2 PHE 73 2HE PHE 73 -9.202 0.346 0.906 480 HZ PHE 73 HZ PHE 73 -7.447 -0.544 -0.554 481 H GLU 74 H GLU 74 -10.915 -2.600 5.329 482 HA GLU 74 HA GLU 74 -13.199 -0.957 4.630 483 1HB GLU 74 1HB GLU 74 -11.718 -1.216 7.276 484 2HB GLU 74 2HB GLU 74 -13.243 -0.349 7.020 485 1HG GLU 74 1HG GLU 74 -14.238 -2.552 6.230 486 2HG GLU 74 2HG GLU 74 -12.746 -3.349 6.749 487 HE2 GLU 74 HE2 GLU 74 -14.902 -1.670 9.668 488 H GLY 75 H GLY 75 -11.899 0.245 2.989 489 1HA GLY 75 1HA GLY 75 -9.592 1.712 3.701 490 2HA GLY 75 2HA GLY 75 -10.623 1.967 2.307 491 H PHE 76 H PHE 76 -9.318 3.827 4.426 492 HA PHE 76 HA PHE 76 -11.800 5.239 5.113 493 1HB PHE 76 1HB PHE 76 -10.092 4.121 6.887 494 2HB PHE 76 2HB PHE 76 -9.144 5.577 6.563 495 HD1 PHE 76 1HD PHE 76 -12.558 4.483 7.581 496 HD2 PHE 76 2HD PHE 76 -9.585 7.505 7.777 497 HE1 PHE 76 1HE PHE 76 -13.944 5.737 9.256 498 HE2 PHE 76 2HE PHE 76 -10.972 8.760 9.451 499 HZ PHE 76 HZ PHE 76 -13.136 7.861 10.170 500 H LEU 77 H LEU 77 -11.712 7.586 5.032 501 HA LEU 77 HA LEU 77 -10.295 8.539 2.817 502 1HB LEU 77 1HB LEU 77 -12.076 9.626 4.907 503 2HB LEU 77 2HB LEU 77 -11.041 10.795 4.069 504 HG LEU 77 HG LEU 77 -13.417 10.399 3.187 505 1HD1 LEU 77 1HD1 LEU 77 -11.702 11.665 1.979 506 2HD1 LEU 77 2HD1 LEU 77 -11.084 10.154 1.267 507 3HD1 LEU 77 3HD1 LEU 77 -12.724 10.720 0.870 508 1HD2 LEU 77 1HD2 LEU 77 -13.574 8.518 1.529 509 2HD2 LEU 77 2HD2 LEU 77 -12.092 7.846 2.250 510 3HD2 LEU 77 3HD2 LEU 77 -13.562 8.024 3.238 511 H PHE 78 H PHE 78 -9.886 9.302 6.351 512 HA PHE 78 HA PHE 78 -7.275 8.930 6.632 513 1HB PHE 78 1HB PHE 78 -7.879 11.160 4.782 514 2HB PHE 78 2HB PHE 78 -6.900 11.715 6.145 515 HD1 PHE 78 1HD PHE 78 -6.464 11.095 2.960 516 HD2 PHE 78 2HD PHE 78 -5.154 9.418 6.631 517 HE1 PHE 78 1HE PHE 78 -4.409 10.210 1.823 518 HE2 PHE 78 2HE PHE 78 -3.099 8.534 5.494 519 HZ PHE 78 HZ PHE 78 -2.751 8.940 3.104 520 H ASP 79 H ASP 79 -10.087 10.988 7.127 521 HA ASP 79 HA ASP 79 -9.987 10.880 9.817 522 1HB ASP 79 1HB ASP 79 -7.921 12.542 9.003 523 2HB ASP 79 2HB ASP 79 -9.216 13.703 9.330 524 HD2 ASP 79 HD2 ASP 79 -8.467 11.571 12.561 525 H GLY 80 H GLY 80 -12.032 10.695 8.047 526 1HA GLY 80 1HA GLY 80 -13.709 12.971 8.689 527 2HA GLY 80 2HA GLY 80 -13.377 12.757 6.982 528 H THR 81 H THR 81 -13.364 10.045 6.549 529 HA THR 81 HA THR 81 -15.364 8.606 7.894 530 HB THR 81 HB THR 81 -16.278 10.581 5.925 531 HG1 THR 81 1HG THR 81 -17.599 8.466 7.467 532 1HG2 THR 81 1HG2 THR 81 -17.692 9.206 4.573 533 2HG2 THR 81 2HG2 THR 81 -16.119 8.376 4.501 534 3HG2 THR 81 3HG2 THR 81 -17.397 7.769 5.581 535 H ARG 82 H ARG 82 -16.097 6.654 6.436 536 HA ARG 82 HA ARG 82 -13.631 5.787 5.197 537 1HB ARG 82 1HB ARG 82 -14.347 3.545 5.633 538 2HB ARG 82 2HB ARG 82 -14.811 4.458 7.078 539 1HG ARG 82 1HG ARG 82 -17.077 4.784 5.699 540 2HG ARG 82 2HG ARG 82 -16.535 3.302 4.890 541 1HD ARG 82 1HD ARG 82 -17.352 2.123 6.632 542 2HD ARG 82 2HD ARG 82 -16.144 2.879 7.685 543 HE ARG 82 HE ARG 82 -18.305 4.708 7.331 544 1HH1 ARG 82 1HH1 ARG 82 -17.665 1.597 8.846 545 2HH1 ARG 82 2HH1 ARG 82 -18.875 1.798 10.068 546 1HH2 ARG 82 1HH2 ARG 82 -19.903 4.974 8.943 547 2HH2 ARG 82 2HH2 ARG 82 -20.158 3.732 10.124 548 H TRP 83 H TRP 83 -14.231 3.924 3.378 549 HA TRP 83 HA TRP 83 -16.511 4.650 1.786 550 1HB TRP 83 1HB TRP 83 -15.586 6.036 0.363 551 2HB TRP 83 2HB TRP 83 -14.119 6.057 1.344 552 HD1 TRP 83 HD TRP 83 -11.995 4.794 0.322 553 HE1 TRP 83 1HE TRP 83 -11.392 3.608 -1.957 554 HE3 TRP 83 3HE TRP 83 -16.759 4.605 -1.445 555 HZ2 TRP 83 2HZ TRP 83 -12.941 2.743 -4.193 556 HZ3 TRP 83 3HZ TRP 83 -17.126 3.573 -3.685 557 HH2 TRP 83 HH TRP 83 -15.313 2.662 -5.046 558 H GLY 84 H GLY 84 -13.192 3.168 1.510 559 1HA GLY 84 1HA GLY 84 -13.530 1.139 -0.153 560 2HA GLY 84 2HA GLY 84 -12.643 0.958 1.347 561 H THR 85 H THR 85 -13.721 0.071 3.256 562 HA THR 85 HA THR 85 -14.860 -1.727 4.037 563 HB THR 85 HB THR 85 -16.180 0.619 4.251 564 HG1 THR 85 1HG THR 85 -17.549 -0.683 5.635 565 1HG2 THR 85 1HG2 THR 85 -18.292 0.673 3.276 566 2HG2 THR 85 2HG2 THR 85 -17.466 -0.261 2.007 567 3HG2 THR 85 3HG2 THR 85 -18.429 -1.102 3.245 568 H VAL 86 H VAL 86 -14.103 -2.075 1.230 569 HA VAL 86 HA VAL 86 -15.543 -4.370 0.698 570 HB VAL 86 HB VAL 86 -17.177 -2.287 0.194 571 1HG1 VAL 86 1HG1 VAL 86 -15.349 -1.735 -1.678 572 2HG1 VAL 86 2HG1 VAL 86 -16.332 -2.894 -2.603 573 3HG1 VAL 86 3HG1 VAL 86 -17.086 -1.432 -1.923 574 1HG2 VAL 86 1HG2 VAL 86 -17.107 -5.063 -0.334 575 2HG2 VAL 86 2HG2 VAL 86 -18.528 -3.992 -0.292 576 3HG2 VAL 86 3HG2 VAL 86 -17.677 -4.282 -1.829 577 H ASP 87 H ASP 87 -15.351 -4.457 -2.136 578 HA ASP 87 HA ASP 87 -12.738 -5.059 -2.462 579 1HB ASP 87 1HB ASP 87 -15.084 -4.623 -4.174 580 2HB ASP 87 2HB ASP 87 -13.577 -4.236 -5.020 581 HD2 ASP 87 HD2 ASP 87 -13.367 -7.945 -3.760 582 H CYS 88 H CYS 88 -10.899 -3.758 -2.576 583 HA CYS 88 HA CYS 88 -11.294 -0.922 -2.994 584 1HB CYS 88 1HB CYS 88 -9.544 -0.614 -1.697 585 2HB CYS 88 2HB CYS 88 -9.707 -2.326 -1.267 586 H THR 89 H THR 89 -10.295 -3.849 -4.635 587 HA THR 89 HA THR 89 -8.441 -2.943 -6.455 588 HB THR 89 HB THR 89 -9.499 -5.313 -5.957 589 HG1 THR 89 1HG THR 89 -9.057 -4.362 -8.696 590 1HG2 THR 89 1HG2 THR 89 -11.052 -5.970 -7.848 591 2HG2 THR 89 2HG2 THR 89 -11.817 -4.865 -6.681 592 3HG2 THR 89 3HG2 THR 89 -11.234 -4.244 -8.244 593 H THR 90 H THR 90 -11.882 -2.199 -6.232 594 HA THR 90 HA THR 90 -12.189 -1.343 -8.912 595 HB THR 90 HB THR 90 -13.690 -1.394 -6.355 596 HG1 THR 90 1HG THR 90 -14.402 -1.250 -9.198 597 1HG2 THR 90 1HG2 THR 90 -14.160 0.822 -8.418 598 2HG2 THR 90 2HG2 THR 90 -15.363 0.306 -7.212 599 3HG2 THR 90 3HG2 THR 90 -13.835 1.051 -6.683 600 H ALA 91 H ALA 91 -10.633 0.053 -6.102 601 HA ALA 91 HA ALA 91 -10.490 2.610 -7.543 602 1HB ALA 91 1HB ALA 91 -9.612 2.944 -4.880 603 2HB ALA 91 2HB ALA 91 -11.155 3.487 -5.583 604 3HB ALA 91 3HB ALA 91 -11.051 1.900 -4.783 605 H ALA 92 H ALA 92 -8.903 0.438 -8.414 606 HA ALA 92 HA ALA 92 -6.743 -0.441 -8.118 607 1HB ALA 92 1HB ALA 92 -7.082 0.834 -10.205 608 2HB ALA 92 2HB ALA 92 -6.556 2.323 -9.384 609 3HB ALA 92 3HB ALA 92 -5.406 0.986 -9.625 610 H CYS 93 H CYS 93 -6.657 -0.339 -5.680 611 HA CYS 93 HA CYS 93 -5.535 1.947 -4.466 612 1HB CYS 93 1HB CYS 93 -5.319 -0.778 -3.272 613 2HB CYS 93 2HB CYS 93 -5.631 0.780 -2.482 614 H GLN 94 H GLN 94 -3.394 1.178 -2.938 615 HA GLN 94 HA GLN 94 -1.518 -0.205 -4.609 616 1HB GLN 94 1HB GLN 94 0.134 1.768 -4.333 617 2HB GLN 94 2HB GLN 94 -1.124 1.920 -5.574 618 1HG GLN 94 1HG GLN 94 -1.594 2.945 -2.765 619 2HG GLN 94 2HG GLN 94 -0.680 3.925 -3.922 620 1HE2 GLN 94 1HE2 GLN 94 -2.901 4.987 -2.962 621 2HE2 GLN 94 2HE2 GLN 94 -4.196 4.995 -4.113 622 H VAL 95 H VAL 95 0.654 -0.460 -3.417 623 HA VAL 95 HA VAL 95 0.208 -0.316 -0.517 624 HB VAL 95 HB VAL 95 -0.153 -2.582 -1.230 625 1HG1 VAL 95 1HG1 VAL 95 2.620 -2.573 -2.459 626 2HG1 VAL 95 2HG1 VAL 95 1.416 -3.885 -2.495 627 3HG1 VAL 95 3HG1 VAL 95 1.117 -2.377 -3.392 628 1HG2 VAL 95 1HG2 VAL 95 0.858 -3.174 0.666 629 2HG2 VAL 95 2HG2 VAL 95 2.395 -3.319 -0.220 630 3HG2 VAL 95 3HG2 VAL 95 1.954 -1.777 0.552 631 H GLY 96 H GLY 96 1.507 1.385 0.048 632 1HA GLY 96 1HA GLY 96 4.251 1.385 -1.053 633 2HA GLY 96 2HA GLY 96 3.363 2.810 -0.552 634 H LEU 97 H LEU 97 5.931 2.249 0.484 635 HA LEU 97 HA LEU 97 5.453 1.095 3.113 636 1HB LEU 97 1HB LEU 97 7.816 1.672 1.414 637 2HB LEU 97 2HB LEU 97 8.039 1.690 3.172 638 HG LEU 97 HG LEU 97 8.596 -0.476 2.654 639 1HD1 LEU 97 1HD1 LEU 97 6.954 -1.907 3.541 640 2HD1 LEU 97 2HD1 LEU 97 6.637 -0.317 4.279 641 3HD1 LEU 97 3HD1 LEU 97 5.619 -0.896 2.938 642 1HD2 LEU 97 1HD2 LEU 97 8.242 -0.499 0.311 643 2HD2 LEU 97 2HD2 LEU 97 7.321 -1.871 0.973 644 3HD2 LEU 97 3HD2 LEU 97 6.476 -0.378 0.499 645 H SER 98 H SER 98 5.796 2.260 5.068 646 HA SER 98 HA SER 98 6.048 5.132 4.689 647 1HB SER 98 1HB SER 98 3.759 3.633 5.770 648 2HB SER 98 2HB SER 98 4.338 4.888 6.882 649 HG SER 98 HG SER 98 2.980 6.041 5.616 650 H ASP 99 H ASP 99 7.339 6.159 6.255 651 HA ASP 99 HA ASP 99 8.598 4.325 8.106 652 1HB ASP 99 1HB ASP 99 9.748 6.944 8.236 653 2HB ASP 99 2HB ASP 99 10.467 5.477 7.555 654 HD2 ASP 99 HD2 ASP 99 10.522 7.134 4.568 655 H ALA 100 H ALA 100 9.364 5.714 10.254 656 HA ALA 100 HA ALA 100 6.873 6.677 11.392 657 1HB ALA 100 1HB ALA 100 8.550 6.689 13.465 658 2HB ALA 100 2HB ALA 100 7.838 5.174 12.859 659 3HB ALA 100 3HB ALA 100 9.499 5.624 12.399 660 H ALA 101 H ALA 101 8.035 8.346 9.354 661 HA ALA 101 HA ALA 101 8.118 10.780 10.787 662 1HB ALA 101 1HB ALA 101 10.364 11.414 10.595 663 2HB ALA 101 2HB ALA 101 10.490 9.701 11.064 664 3HB ALA 101 3HB ALA 101 10.712 10.177 9.364 665 H GLY 102 H GLY 102 8.870 8.913 7.802 666 1HA GLY 102 1HA GLY 102 8.367 11.168 6.077 667 2HA GLY 102 2HA GLY 102 8.692 9.510 5.613 668 H ASN 103 H ASN 103 6.777 7.927 6.585 669 HA ASN 103 HA ASN 103 4.786 7.232 5.990 670 1HB ASN 103 1HB ASN 103 3.180 8.014 7.461 671 2HB ASN 103 2HB ASN 103 4.566 8.873 8.151 672 1HD2 ASN 103 1HD2 ASN 103 1.477 9.126 6.941 673 2HD2 ASN 103 2HD2 ASN 103 1.387 10.829 6.642 674 H GLY 104 H GLY 104 2.323 8.573 5.342 675 1HA GLY 104 1HA GLY 104 1.370 10.083 3.852 676 2HA GLY 104 2HA GLY 104 2.941 10.412 3.151 677 HA PRO 105 HA PRO 105 0.651 7.004 0.877 678 1HB PRO 105 1HB PRO 105 -1.048 8.328 -0.803 679 2HB PRO 105 2HB PRO 105 -1.570 7.588 0.708 680 1HG PRO 105 1HG PRO 105 -1.085 10.423 0.056 681 2HG PRO 105 2HG PRO 105 -2.057 9.732 1.403 682 1HD PRO 105 1HD PRO 105 0.547 10.916 1.511 683 2HD PRO 105 2HD PRO 105 -0.299 10.106 2.836 684 H GLU 106 H GLU 106 1.432 6.102 -0.994 685 HA GLU 106 HA GLU 106 2.049 7.395 -3.233 686 1HB GLU 106 1HB GLU 106 3.858 8.263 -1.154 687 2HB GLU 106 2HB GLU 106 4.778 7.401 -2.400 688 1HG GLU 106 1HG GLU 106 4.017 8.882 -4.116 689 2HG GLU 106 2HG GLU 106 2.741 9.555 -3.092 690 HE2 GLU 106 HE2 GLU 106 6.438 10.632 -2.036 691 H GLY 107 H GLY 107 1.242 4.838 -2.357 692 1HA GLY 107 1HA GLY 107 3.486 3.020 -2.547 693 2HA GLY 107 2HA GLY 107 1.790 2.620 -2.361 694 H VAL 108 H VAL 108 2.461 0.938 -4.057 695 HA VAL 108 HA VAL 108 2.494 2.127 -6.736 696 HB VAL 108 HB VAL 108 4.365 0.665 -6.136 697 1HG1 VAL 108 1HG1 VAL 108 2.152 -1.258 -5.479 698 2HG1 VAL 108 2HG1 VAL 108 3.720 -1.877 -6.050 699 3HG1 VAL 108 3HG1 VAL 108 3.639 -0.883 -4.575 700 1HG2 VAL 108 1HG2 VAL 108 3.494 0.812 -8.479 701 2HG2 VAL 108 2HG2 VAL 108 4.336 -0.713 -8.111 702 3HG2 VAL 108 3HG2 VAL 108 2.557 -0.670 -8.174 703 H ALA 109 H ALA 109 0.810 1.795 -8.150 704 HA ALA 109 HA ALA 109 -1.604 0.756 -7.020 705 1HB ALA 109 1HB ALA 109 -1.145 1.530 -9.913 706 2HB ALA 109 2HB ALA 109 -2.631 1.664 -8.944 707 3HB ALA 109 3HB ALA 109 -1.264 2.760 -8.630 708 H ILE 110 H ILE 110 -2.186 -1.353 -6.997 709 HA ILE 110 HA ILE 110 -1.119 -3.034 -9.157 710 HB ILE 110 HB ILE 110 -1.444 -3.708 -6.232 711 1HG1 ILE 110 1HG1 ILE 110 1.084 -3.848 -7.851 712 2HG1 ILE 110 2HG1 ILE 110 0.579 -2.335 -7.079 713 1HG2 ILE 110 1HG2 ILE 110 -0.136 -5.691 -7.939 714 2HG2 ILE 110 2HG2 ILE 110 -1.380 -5.892 -6.682 715 3HG2 ILE 110 3HG2 ILE 110 -1.853 -5.439 -8.337 716 1HD1 ILE 110 1HD1 ILE 110 0.260 -4.081 -4.998 717 2HD1 ILE 110 2HD1 ILE 110 1.599 -4.865 -5.870 718 3HD1 ILE 110 3HD1 ILE 110 1.767 -3.186 -5.307 719 H SER 111 H SER 111 -2.538 -4.648 -9.987 720 HA SER 111 HA SER 111 -5.265 -3.870 -9.734 721 1HB SER 111 1HB SER 111 -3.610 -5.457 -11.562 722 2HB SER 111 2HB SER 111 -5.187 -6.212 -11.272 723 HG SER 111 HG SER 111 -4.825 -4.445 -13.056 724 H PHE 112 H PHE 112 -6.168 -4.474 -7.754 725 HA PHE 112 HA PHE 112 -5.551 -7.044 -6.635 726 1HB PHE 112 1HB PHE 112 -7.559 -4.815 -5.974 727 2HB PHE 112 2HB PHE 112 -7.215 -6.173 -4.898 728 HD1 PHE 112 1HD PHE 112 -5.751 -3.157 -6.465 729 HD2 PHE 112 2HD PHE 112 -5.347 -6.119 -3.452 730 HE1 PHE 112 1HE PHE 112 -3.886 -1.841 -5.421 731 HE2 PHE 112 2HE PHE 112 -3.482 -4.802 -2.408 732 HZ PHE 112 HZ PHE 112 -2.774 -2.679 -3.405 733 H ASN 113 H ASN 113 -7.247 -6.418 -9.292 734 HA ASN 113 HA ASN 113 -9.778 -7.003 -9.163 735 1HB ASN 113 1HB ASN 113 -7.620 -7.624 -11.023 736 2HB ASN 113 2HB ASN 113 -8.831 -8.913 -11.069 737 1HD2 ASN 113 1HD2 ASN 113 -9.362 -8.287 -13.182 738 2HD2 ASN 113 2HD2 ASN 113 -10.362 -6.913 -13.516 Start of MODEL 19 1 H ALA 1 H ALA 1 9.979 9.906 1.542 2 HA ALA 1 HA ALA 1 8.067 9.892 0.185 3 1HB ALA 1 1HB ALA 1 8.688 12.066 1.355 4 2HB ALA 1 2HB ALA 1 9.322 12.631 -0.210 5 3HB ALA 1 3HB ALA 1 7.596 12.233 -0.041 6 H ALA 2 H ALA 2 10.573 11.797 -1.642 7 HA ALA 2 HA ALA 2 9.570 11.706 -4.102 8 1HB ALA 2 1HB ALA 2 11.584 12.673 -4.355 9 2HB ALA 2 2HB ALA 2 12.209 11.872 -2.893 10 3HB ALA 2 3HB ALA 2 12.288 11.043 -4.465 11 HA PRO 3 HA PRO 3 11.023 7.259 -4.770 12 1HB PRO 3 1HB PRO 3 12.086 5.824 -2.703 13 2HB PRO 3 2HB PRO 3 13.069 6.685 -3.885 14 1HG PRO 3 1HG PRO 3 12.400 7.390 -1.099 15 2HG PRO 3 2HG PRO 3 13.756 7.998 -2.117 16 1HD PRO 3 1HD PRO 3 11.326 9.337 -1.407 17 2HD PRO 3 2HD PRO 3 12.557 9.913 -2.540 18 H THR 4 H THR 4 10.664 4.824 -3.393 19 HA THR 4 HA THR 4 8.601 4.682 -1.656 20 HB THR 4 HB THR 4 6.965 5.845 -2.840 21 HG1 THR 4 1HG THR 4 5.699 4.165 -3.759 22 1HG2 THR 4 1HG2 THR 4 6.988 5.189 -5.537 23 2HG2 THR 4 2HG2 THR 4 7.717 6.666 -4.862 24 3HG2 THR 4 3HG2 THR 4 8.728 5.233 -5.165 25 H ALA 5 H ALA 5 7.251 2.547 -1.971 26 HA ALA 5 HA ALA 5 9.216 0.583 -2.885 27 1HB ALA 5 1HB ALA 5 6.749 0.155 -1.161 28 2HB ALA 5 2HB ALA 5 8.149 -0.927 -1.357 29 3HB ALA 5 3HB ALA 5 8.334 0.620 -0.498 30 H THR 6 H THR 6 8.088 -1.545 -3.727 31 HA THR 6 HA THR 6 5.648 -1.072 -5.187 32 HB THR 6 HB THR 6 6.717 -1.428 -7.408 33 HG1 THR 6 1HG THR 6 9.084 -1.537 -7.365 34 1HG2 THR 6 1HG2 THR 6 7.964 0.664 -7.635 35 2HG2 THR 6 2HG2 THR 6 6.634 0.962 -6.491 36 3HG2 THR 6 3HG2 THR 6 8.290 0.712 -5.887 37 H VAL 7 H VAL 7 4.808 -3.032 -6.195 38 HA VAL 7 HA VAL 7 5.909 -5.386 -4.832 39 HB VAL 7 HB VAL 7 3.133 -5.090 -5.959 40 1HG1 VAL 7 1HG1 VAL 7 4.543 -7.232 -4.815 41 2HG1 VAL 7 2HG1 VAL 7 3.429 -6.670 -3.545 42 3HG1 VAL 7 3HG1 VAL 7 2.796 -7.139 -5.141 43 1HG2 VAL 7 1HG2 VAL 7 4.275 -3.705 -3.664 44 2HG2 VAL 7 2HG2 VAL 7 2.682 -3.515 -4.436 45 3HG2 VAL 7 3HG2 VAL 7 2.925 -4.765 -3.193 46 H THR 8 H THR 8 6.631 -7.111 -6.023 47 HA THR 8 HA THR 8 7.518 -6.940 -8.522 48 HB THR 8 HB THR 8 6.586 -9.131 -6.725 49 HG1 THR 8 1HG THR 8 8.798 -9.705 -7.275 50 1HG2 THR 8 1HG2 THR 8 7.266 -9.715 -9.649 51 2HG2 THR 8 2HG2 THR 8 6.844 -10.893 -8.384 52 3HG2 THR 8 3HG2 THR 8 5.604 -9.781 -9.013 53 HA PRO 9 HA PRO 9 3.475 -8.165 -10.538 54 1HB PRO 9 1HB PRO 9 1.250 -8.718 -9.052 55 2HB PRO 9 2HB PRO 9 2.363 -9.961 -9.623 56 1HG PRO 9 1HG PRO 9 2.050 -8.781 -6.937 57 2HG PRO 9 2HG PRO 9 2.820 -10.343 -7.395 58 1HD PRO 9 1HD PRO 9 4.086 -7.892 -6.631 59 2HD PRO 9 2HD PRO 9 4.888 -9.351 -7.226 60 H SER 10 H SER 10 0.783 -7.408 -10.352 61 HA SER 10 HA SER 10 0.171 -5.148 -9.159 62 1HB SER 10 1HB SER 10 1.968 -3.816 -9.786 63 2HB SER 10 2HB SER 10 2.114 -4.562 -11.387 64 HG SER 10 HG SER 10 0.435 -3.318 -12.153 65 H SER 11 H SER 11 -0.756 -7.544 -10.691 66 HA SER 11 HA SER 11 -3.084 -6.496 -11.694 67 1HB SER 11 1HB SER 11 -2.904 -6.599 -14.049 68 2HB SER 11 2HB SER 11 -1.439 -5.741 -13.538 69 HG SER 11 HG SER 11 -1.118 -7.472 -15.163 70 H GLY 12 H GLY 12 -4.594 -8.200 -12.065 71 1HA GLY 12 1HA GLY 12 -5.402 -10.295 -12.007 72 2HA GLY 12 2HA GLY 12 -3.908 -10.828 -12.749 73 H LEU 13 H LEU 13 -4.180 -9.128 -9.588 74 HA LEU 13 HA LEU 13 -2.850 -11.406 -8.364 75 1HB LEU 13 1HB LEU 13 -3.453 -8.678 -7.238 76 2HB LEU 13 2HB LEU 13 -2.385 -9.908 -6.539 77 HG LEU 13 HG LEU 13 -1.943 -8.026 -8.813 78 1HD1 LEU 13 1HD1 LEU 13 -1.048 -7.657 -6.507 79 2HD1 LEU 13 2HD1 LEU 13 -0.039 -9.108 -6.722 80 3HD1 LEU 13 3HD1 LEU 13 0.192 -7.699 -7.784 81 1HD2 LEU 13 1HD2 LEU 13 -0.393 -9.328 -9.959 82 2HD2 LEU 13 2HD2 LEU 13 -0.263 -10.517 -8.641 83 3HD2 LEU 13 3HD2 LEU 13 -1.730 -10.461 -9.648 84 H SER 14 H SER 14 -4.026 -10.385 -5.689 85 HA SER 14 HA SER 14 -6.778 -11.087 -5.958 86 1HB SER 14 1HB SER 14 -5.061 -13.207 -5.656 87 2HB SER 14 2HB SER 14 -5.442 -12.841 -3.964 88 HG SER 14 HG SER 14 -6.921 -14.387 -4.964 89 H ASP 15 H ASP 15 -7.925 -10.877 -3.791 90 HA ASP 15 HA ASP 15 -7.031 -8.597 -2.502 91 1HB ASP 15 1HB ASP 15 -8.868 -9.061 -0.895 92 2HB ASP 15 2HB ASP 15 -9.401 -9.260 -2.572 93 HD2 ASP 15 HD2 ASP 15 -9.710 -12.753 -2.109 94 H GLY 16 H GLY 16 -5.016 -8.748 -1.420 95 1HA GLY 16 1HA GLY 16 -3.958 -9.143 0.627 96 2HA GLY 16 2HA GLY 16 -4.914 -10.593 0.860 97 H THR 17 H THR 17 -3.391 -9.827 -2.277 98 HA THR 17 HA THR 17 -2.020 -12.327 -2.268 99 HB THR 17 HB THR 17 -2.686 -10.111 -4.111 100 HG1 THR 17 1HG THR 17 -1.863 -12.915 -4.389 101 1HG2 THR 17 1HG2 THR 17 -0.375 -9.749 -4.553 102 2HG2 THR 17 2HG2 THR 17 0.053 -11.434 -4.172 103 3HG2 THR 17 3HG2 THR 17 -0.788 -11.050 -5.694 104 H VAL 18 H VAL 18 -0.499 -12.535 -0.670 105 HA VAL 18 HA VAL 18 1.370 -10.394 -0.228 106 HB VAL 18 HB VAL 18 1.561 -13.186 0.868 107 1HG1 VAL 18 1HG1 VAL 18 2.935 -12.299 2.427 108 2HG1 VAL 18 2HG1 VAL 18 3.131 -10.990 1.237 109 3HG1 VAL 18 3HG1 VAL 18 1.975 -10.808 2.578 110 1HG2 VAL 18 1HG2 VAL 18 -0.534 -11.122 1.440 111 2HG2 VAL 18 2HG2 VAL 18 -0.657 -12.897 1.402 112 3HG2 VAL 18 3HG2 VAL 18 0.106 -12.087 2.791 113 H VAL 19 H VAL 19 2.822 -10.021 -1.847 114 HA VAL 19 HA VAL 19 4.324 -12.369 -2.766 115 HB VAL 19 HB VAL 19 4.479 -11.259 -4.974 116 1HG1 VAL 19 1HG1 VAL 19 1.839 -12.170 -3.851 117 2HG1 VAL 19 2HG1 VAL 19 1.958 -11.636 -5.545 118 3HG1 VAL 19 3HG1 VAL 19 2.943 -13.002 -4.971 119 1HG2 VAL 19 1HG2 VAL 19 2.222 -9.597 -5.008 120 2HG2 VAL 19 2HG2 VAL 19 3.123 -9.123 -3.547 121 3HG2 VAL 19 3HG2 VAL 19 3.927 -9.100 -5.135 122 H LYS 20 H LYS 20 6.486 -11.551 -3.845 123 HA LYS 20 HA LYS 20 7.918 -10.245 -1.844 124 1HB LYS 20 1HB LYS 20 8.421 -11.323 -4.541 125 2HB LYS 20 2HB LYS 20 9.537 -10.047 -4.023 126 1HG LYS 20 1HG LYS 20 9.690 -11.404 -1.801 127 2HG LYS 20 2HG LYS 20 8.980 -12.737 -2.727 128 1HD LYS 20 1HD LYS 20 10.970 -13.190 -3.679 129 2HD LYS 20 2HD LYS 20 11.142 -11.519 -4.244 130 1HE LYS 20 1HE LYS 20 11.990 -10.887 -1.973 131 2HE LYS 20 2HE LYS 20 11.887 -12.583 -1.477 132 1HZ LYS 20 1HZ LYS 20 13.965 -11.363 -2.748 133 2HZ LYS 20 2HZ LYS 20 13.790 -12.966 -2.489 134 3HZ LYS 20 3HZ LYS 20 13.291 -12.308 -3.897 135 H VAL 21 H VAL 21 8.618 -8.130 -1.555 136 HA VAL 21 HA VAL 21 7.856 -6.193 -3.589 137 HB VAL 21 HB VAL 21 6.836 -6.294 -0.762 138 1HG1 VAL 21 1HG1 VAL 21 5.997 -3.846 -1.724 139 2HG1 VAL 21 2HG1 VAL 21 7.303 -4.107 -0.542 140 3HG1 VAL 21 3HG1 VAL 21 7.689 -3.922 -2.270 141 1HG2 VAL 21 1HG2 VAL 21 4.950 -5.273 -2.627 142 2HG2 VAL 21 2HG2 VAL 21 5.720 -6.690 -3.378 143 3HG2 VAL 21 3HG2 VAL 21 4.935 -6.843 -1.788 144 H ALA 22 H ALA 22 9.199 -4.344 -3.611 145 HA ALA 22 HA ALA 22 11.195 -4.134 -1.512 146 1HB ALA 22 1HB ALA 22 12.904 -3.913 -3.526 147 2HB ALA 22 2HB ALA 22 12.496 -5.511 -2.854 148 3HB ALA 22 3HB ALA 22 11.724 -4.955 -4.358 149 H GLY 23 H GLY 23 12.361 -2.036 -1.634 150 1HA GLY 23 1HA GLY 23 12.604 0.108 -2.586 151 2HA GLY 23 2HA GLY 23 11.043 -0.055 -3.366 152 H ALA 24 H ALA 24 11.250 2.262 -2.099 153 HA ALA 24 HA ALA 24 9.210 2.593 -0.483 154 1HB ALA 24 1HB ALA 24 10.335 2.521 1.878 155 2HB ALA 24 2HB ALA 24 9.739 1.006 1.159 156 3HB ALA 24 3HB ALA 24 11.477 1.390 1.112 157 H GLY 25 H GLY 25 10.438 4.174 1.713 158 1HA GLY 25 1HA GLY 25 10.888 6.570 0.308 159 2HA GLY 25 2HA GLY 25 11.147 6.286 2.017 160 H LEU 26 H LEU 26 12.909 3.871 0.545 161 HA LEU 26 HA LEU 26 15.089 3.523 0.377 162 1HB LEU 26 1HB LEU 26 14.773 4.391 -1.781 163 2HB LEU 26 2HB LEU 26 14.782 6.068 -1.205 164 HG LEU 26 HG LEU 26 17.250 5.337 -0.440 165 1HD1 LEU 26 1HD1 LEU 26 16.781 3.013 -1.419 166 2HD1 LEU 26 2HD1 LEU 26 16.964 3.787 -3.012 167 3HD1 LEU 26 3HD1 LEU 26 18.315 3.804 -1.852 168 1HD2 LEU 26 1HD2 LEU 26 17.803 6.079 -2.995 169 2HD2 LEU 26 2HD2 LEU 26 16.116 6.627 -2.840 170 3HD2 LEU 26 3HD2 LEU 26 17.348 7.200 -1.691 171 H GLN 27 H GLN 27 15.014 3.880 2.826 172 HA GLN 27 HA GLN 27 16.329 6.337 3.583 173 1HB GLN 27 1HB GLN 27 14.428 5.665 4.934 174 2HB GLN 27 2HB GLN 27 15.130 4.065 5.224 175 1HG GLN 27 1HG GLN 27 15.847 5.060 7.158 176 2HG GLN 27 2HG GLN 27 17.168 5.633 6.127 177 1HE2 GLN 27 1HE2 GLN 27 14.153 6.401 7.709 178 2HE2 GLN 27 2HE2 GLN 27 14.248 8.127 7.603 179 H ALA 28 H ALA 28 16.815 3.258 5.311 180 HA ALA 28 HA ALA 28 19.079 2.279 4.210 181 1HB ALA 28 1HB ALA 28 20.623 3.560 6.112 182 2HB ALA 28 2HB ALA 28 20.579 3.968 4.380 183 3HB ALA 28 3HB ALA 28 19.567 4.871 5.533 184 H GLY 29 H GLY 29 18.238 0.371 5.069 185 1HA GLY 29 1HA GLY 29 17.647 -1.148 6.633 186 2HA GLY 29 2HA GLY 29 19.091 -0.587 7.453 187 H THR 30 H THR 30 15.998 1.187 6.810 188 HA THR 30 HA THR 30 15.683 1.417 9.731 189 HB THR 30 HB THR 30 14.942 3.387 7.505 190 HG1 THR 30 1HG THR 30 16.753 4.504 8.849 191 1HG2 THR 30 1HG2 THR 30 13.511 3.651 9.535 192 2HG2 THR 30 2HG2 THR 30 14.967 3.642 10.559 193 3HG2 THR 30 3HG2 THR 30 14.687 4.982 9.420 194 H ALA 31 H ALA 31 13.483 1.531 10.555 195 HA ALA 31 HA ALA 31 11.912 -0.526 9.568 196 1HB ALA 31 1HB ALA 31 10.483 0.009 11.330 197 2HB ALA 31 2HB ALA 31 12.012 0.736 11.882 198 3HB ALA 31 3HB ALA 31 10.752 1.760 11.154 199 H TYR 32 H TYR 32 9.895 -0.545 8.419 200 HA TYR 32 HA TYR 32 9.055 1.932 7.174 201 1HB TYR 32 1HB TYR 32 10.540 -0.381 5.932 202 2HB TYR 32 2HB TYR 32 9.147 0.192 5.006 203 HD1 TYR 32 1HD TYR 32 9.076 2.792 4.572 204 HD2 TYR 32 2HD TYR 32 12.611 0.618 5.616 205 HE1 TYR 32 1HE TYR 32 10.515 4.647 3.595 206 HE2 TYR 32 2HE TYR 32 14.037 2.479 4.635 207 HH TYR 32 HH TYR 32 13.223 4.475 2.576 208 H ASP 33 H ASP 33 7.188 1.449 8.570 209 HA ASP 33 HA ASP 33 5.810 -0.889 8.546 210 1HB ASP 33 1HB ASP 33 5.464 1.691 9.556 211 2HB ASP 33 2HB ASP 33 4.053 1.486 8.508 212 HD2 ASP 33 HD2 ASP 33 4.271 -1.184 11.447 213 H VAL 34 H VAL 34 4.358 -1.869 7.076 214 HA VAL 34 HA VAL 34 4.250 -0.765 4.440 215 HB VAL 34 HB VAL 34 2.966 -3.203 5.687 216 1HG1 VAL 34 1HG1 VAL 34 2.574 -3.997 3.433 217 2HG1 VAL 34 2HG1 VAL 34 1.807 -2.403 3.633 218 3HG1 VAL 34 3HG1 VAL 34 3.345 -2.546 2.748 219 1HG2 VAL 34 1HG2 VAL 34 5.121 -3.680 3.793 220 2HG2 VAL 34 2HG2 VAL 34 5.666 -2.685 5.165 221 3HG2 VAL 34 3HG2 VAL 34 4.915 -4.272 5.458 222 H GLY 35 H GLY 35 2.346 -0.112 3.285 223 1HA GLY 35 1HA GLY 35 0.043 0.542 5.020 224 2HA GLY 35 2HA GLY 35 0.756 1.727 3.943 225 H GLN 36 H GLN 36 -1.567 1.716 3.091 226 HA GLN 36 HA GLN 36 -1.634 0.554 0.634 227 1HB GLN 36 1HB GLN 36 -2.672 -1.216 2.783 228 2HB GLN 36 2HB GLN 36 -3.728 -1.057 1.369 229 1HG GLN 36 1HG GLN 36 -1.037 -1.364 0.428 230 2HG GLN 36 2HG GLN 36 -1.307 -2.607 1.658 231 1HE2 GLN 36 1HE2 GLN 36 -3.504 -1.029 -0.648 232 2HE2 GLN 36 2HE2 GLN 36 -4.018 -2.457 -1.482 233 H CYS 37 H CYS 37 -2.764 2.182 -0.333 234 HA CYS 37 HA CYS 37 -5.084 3.210 1.128 235 1HB CYS 37 1HB CYS 37 -3.621 4.611 -1.091 236 2HB CYS 37 2HB CYS 37 -4.787 5.296 0.054 237 H ALA 38 H ALA 38 -6.712 4.241 -0.676 238 HA ALA 38 HA ALA 38 -6.927 2.300 -2.868 239 1HB ALA 38 1HB ALA 38 -9.248 3.312 -1.183 240 2HB ALA 38 2HB ALA 38 -9.285 2.051 -2.439 241 3HB ALA 38 3HB ALA 38 -8.432 1.754 -0.905 242 H TRP 39 H TRP 39 -6.128 3.779 -4.405 243 HA TRP 39 HA TRP 39 -7.090 6.456 -4.491 244 1HB TRP 39 1HB TRP 39 -4.902 6.010 -5.276 245 2HB TRP 39 2HB TRP 39 -5.468 4.760 -6.387 246 HD1 TRP 39 HD TRP 39 -6.788 8.427 -6.039 247 HE1 TRP 39 1HE TRP 39 -6.664 9.676 -8.361 248 HE3 TRP 39 3HE TRP 39 -4.562 4.616 -8.564 249 HZ2 TRP 39 2HZ TRP 39 -5.671 8.946 -10.934 250 HZ3 TRP 39 3HZ TRP 39 -4.050 4.965 -10.979 251 HH2 TRP 39 HH TRP 39 -4.567 7.040 -12.163 252 H VAL 40 H VAL 40 -9.256 6.780 -4.877 253 HA VAL 40 HA VAL 40 -10.480 5.117 -6.963 254 HB VAL 40 HB VAL 40 -11.812 6.730 -4.783 255 1HG1 VAL 40 1HG1 VAL 40 -13.720 5.101 -5.367 256 2HG1 VAL 40 2HG1 VAL 40 -13.381 6.427 -6.506 257 3HG1 VAL 40 3HG1 VAL 40 -12.811 4.779 -6.861 258 1HG2 VAL 40 1HG2 VAL 40 -11.802 3.757 -4.665 259 2HG2 VAL 40 2HG2 VAL 40 -10.275 4.578 -4.258 260 3HG2 VAL 40 3HG2 VAL 40 -11.760 4.962 -3.354 261 H ASP 41 H ASP 41 -9.501 8.350 -5.974 262 HA ASP 41 HA ASP 41 -9.893 9.303 -8.567 263 1HB ASP 41 1HB ASP 41 -12.220 9.401 -7.055 264 2HB ASP 41 2HB ASP 41 -11.535 11.012 -6.783 265 HD2 ASP 41 HD2 ASP 41 -11.872 11.682 -10.294 266 H THR 42 H THR 42 -9.901 12.073 -8.144 267 HA THR 42 HA THR 42 -7.360 12.598 -7.178 268 HB THR 42 HB THR 42 -9.838 14.327 -7.646 269 HG1 THR 42 1HG THR 42 -8.408 14.769 -9.559 270 1HG2 THR 42 1HG2 THR 42 -8.371 16.268 -7.659 271 2HG2 THR 42 2HG2 THR 42 -8.110 15.449 -6.100 272 3HG2 THR 42 3HG2 THR 42 -6.931 15.249 -7.418 273 H GLY 43 H GLY 43 -10.534 13.248 -5.541 274 1HA GLY 43 1HA GLY 43 -9.021 13.393 -3.005 275 2HA GLY 43 2HA GLY 43 -10.513 14.245 -3.347 276 H VAL 44 H VAL 44 -9.878 10.864 -4.359 277 HA VAL 44 HA VAL 44 -11.750 9.978 -2.279 278 HB VAL 44 HB VAL 44 -11.715 8.955 -5.118 279 1HG1 VAL 44 1HG1 VAL 44 -12.662 7.646 -3.041 280 2HG1 VAL 44 2HG1 VAL 44 -14.032 8.769 -3.215 281 3HG1 VAL 44 3HG1 VAL 44 -13.579 7.702 -4.566 282 1HG2 VAL 44 1HG2 VAL 44 -13.571 10.344 -5.662 283 2HG2 VAL 44 2HG2 VAL 44 -13.735 10.907 -3.982 284 3HG2 VAL 44 3HG2 VAL 44 -12.333 11.411 -4.955 285 H LEU 45 H LEU 45 -8.990 9.973 -1.899 286 HA LEU 45 HA LEU 45 -8.257 7.192 -2.479 287 1HB LEU 45 1HB LEU 45 -6.831 9.031 -3.370 288 2HB LEU 45 2HB LEU 45 -6.442 9.473 -1.698 289 HG LEU 45 HG LEU 45 -5.982 6.642 -2.476 290 1HD1 LEU 45 1HD1 LEU 45 -4.122 8.820 -3.459 291 2HD1 LEU 45 2HD1 LEU 45 -3.927 7.061 -3.651 292 3HD1 LEU 45 3HD1 LEU 45 -5.250 7.906 -4.488 293 1HD2 LEU 45 1HD2 LEU 45 -5.477 7.530 -0.224 294 2HD2 LEU 45 2HD2 LEU 45 -4.042 6.878 -1.051 295 3HD2 LEU 45 3HD2 LEU 45 -4.288 8.638 -0.950 296 H ALA 46 H ALA 46 -8.747 5.844 -0.835 297 HA ALA 46 HA ALA 46 -8.722 6.947 1.869 298 1HB ALA 46 1HB ALA 46 -9.596 4.167 1.534 299 2HB ALA 46 2HB ALA 46 -10.456 5.554 2.246 300 3HB ALA 46 3HB ALA 46 -10.492 5.292 0.486 301 H CYS 47 H CYS 47 -6.786 6.820 2.894 302 HA CYS 47 HA CYS 47 -4.918 4.788 2.097 303 1HB CYS 47 1HB CYS 47 -4.855 7.318 3.526 304 2HB CYS 47 2HB CYS 47 -3.858 6.077 4.308 305 H ASN 48 H ASN 48 -4.177 3.069 3.483 306 HA ASN 48 HA ASN 48 -5.961 2.613 5.744 307 1HB ASN 48 1HB ASN 48 -6.045 1.016 3.701 308 2HB ASN 48 2HB ASN 48 -4.445 0.452 4.207 309 1HD2 ASN 48 1HD2 ASN 48 -4.679 -1.457 5.089 310 2HD2 ASN 48 2HD2 ASN 48 -5.830 -1.916 6.300 311 HA PRO 49 HA PRO 49 -1.708 2.946 7.332 312 1HB PRO 49 1HB PRO 49 -2.275 4.510 9.498 313 2HB PRO 49 2HB PRO 49 -1.773 5.165 7.940 314 1HG PRO 49 1HG PRO 49 -4.449 5.057 9.179 315 2HG PRO 49 2HG PRO 49 -3.868 6.127 7.853 316 1HD PRO 49 1HD PRO 49 -5.559 3.822 7.672 317 2HD PRO 49 2HD PRO 49 -4.886 4.746 6.322 318 H ALA 50 H ALA 50 -3.920 0.952 7.733 319 HA ALA 50 HA ALA 50 -3.046 0.134 10.420 320 1HB ALA 50 1HB ALA 50 -5.239 0.093 10.912 321 2HB ALA 50 2HB ALA 50 -5.678 0.450 9.225 322 3HB ALA 50 3HB ALA 50 -5.418 -1.233 9.740 323 H ASP 51 H ASP 51 -2.436 -0.321 7.216 324 HA ASP 51 HA ASP 51 -2.782 -2.785 6.444 325 1HB ASP 51 1HB ASP 51 -1.338 -1.796 4.989 326 2HB ASP 51 2HB ASP 51 -0.525 -0.878 6.267 327 HD2 ASP 51 HD2 ASP 51 1.194 -4.059 4.804 328 H PHE 52 H PHE 52 -0.709 -1.715 9.162 329 HA PHE 52 HA PHE 52 0.072 -2.845 10.905 330 1HB PHE 52 1HB PHE 52 -1.928 -4.510 9.903 331 2HB PHE 52 2HB PHE 52 -0.518 -5.569 9.785 332 HD1 PHE 52 1HD PHE 52 -1.908 -3.155 12.286 333 HD2 PHE 52 2HD PHE 52 -0.280 -7.006 11.557 334 HE1 PHE 52 1HE PHE 52 -2.148 -3.718 14.720 335 HE2 PHE 52 2HE PHE 52 -0.521 -7.569 13.991 336 HZ PHE 52 HZ PHE 52 -1.452 -5.919 15.544 337 H SER 53 H SER 53 0.488 -4.844 7.893 338 HA SER 53 HA SER 53 2.758 -6.077 8.392 339 1HB SER 53 1HB SER 53 1.696 -4.741 5.924 340 2HB SER 53 2HB SER 53 3.338 -5.408 5.859 341 HG SER 53 HG SER 53 1.511 -6.868 5.208 342 H SER 54 H SER 54 5.091 -5.637 7.945 343 HA SER 54 HA SER 54 5.840 -2.895 7.698 344 1HB SER 54 1HB SER 54 5.379 -3.107 10.133 345 2HB SER 54 2HB SER 54 6.559 -4.425 10.238 346 HG SER 54 HG SER 54 8.221 -2.946 9.659 347 H VAL 55 H VAL 55 8.077 -2.680 7.057 348 HA VAL 55 HA VAL 55 9.605 -5.158 6.915 349 HB VAL 55 HB VAL 55 8.519 -5.212 4.830 350 1HG1 VAL 55 1HG1 VAL 55 7.609 -2.914 4.870 351 2HG1 VAL 55 2HG1 VAL 55 9.217 -2.282 4.441 352 3HG1 VAL 55 3HG1 VAL 55 8.336 -3.322 3.297 353 1HG2 VAL 55 1HG2 VAL 55 10.324 -4.947 3.232 354 2HG2 VAL 55 2HG2 VAL 55 11.182 -3.841 4.331 355 3HG2 VAL 55 3HG2 VAL 55 10.982 -5.554 4.770 356 H THR 56 H THR 56 11.930 -4.610 6.114 357 HA THR 56 HA THR 56 12.657 -1.985 7.243 358 HB THR 56 HB THR 56 13.716 -4.786 7.608 359 HG1 THR 56 1HG THR 56 12.940 -3.976 9.521 360 1HG2 THR 56 1HG2 THR 56 15.831 -3.623 8.570 361 2HG2 THR 56 2HG2 THR 56 15.769 -3.803 6.800 362 3HG2 THR 56 3HG2 THR 56 15.391 -2.233 7.548 363 H ALA 57 H ALA 57 14.466 -0.872 6.304 364 HA ALA 57 HA ALA 57 14.474 -1.191 3.453 365 1HB ALA 57 1HB ALA 57 14.917 1.008 3.574 366 2HB ALA 57 2HB ALA 57 14.905 0.880 5.350 367 3HB ALA 57 3HB ALA 57 16.430 0.687 4.454 368 H ASP 58 H ASP 58 16.671 -1.118 2.265 369 HA ASP 58 HA ASP 58 18.521 -2.866 3.686 370 1HB ASP 58 1HB ASP 58 19.045 -3.744 1.298 371 2HB ASP 58 2HB ASP 58 17.556 -4.304 2.073 372 HD2 ASP 58 HD2 ASP 58 16.179 -3.472 -0.982 373 H ALA 59 H ALA 59 20.537 -1.868 3.845 374 HA ALA 59 HA ALA 59 21.971 -0.131 3.617 375 1HB ALA 59 1HB ALA 59 22.917 -0.424 1.085 376 2HB ALA 59 2HB ALA 59 23.280 -1.560 2.407 377 3HB ALA 59 3HB ALA 59 21.984 -1.931 1.245 378 H ASN 60 H ASN 60 21.087 -0.002 0.159 379 HA ASN 60 HA ASN 60 21.131 2.576 -0.204 380 1HB ASN 60 1HB ASN 60 19.664 0.353 -1.400 381 2HB ASN 60 2HB ASN 60 18.706 1.838 -1.524 382 1HD2 ASN 60 1HD2 ASN 60 19.201 1.205 -3.840 383 2HD2 ASN 60 2HD2 ASN 60 20.595 1.919 -4.580 384 H GLY 61 H GLY 61 18.376 0.729 1.246 385 1HA GLY 61 1HA GLY 61 17.279 1.874 3.125 386 2HA GLY 61 2HA GLY 61 17.186 3.299 2.108 387 H SER 62 H SER 62 16.837 0.413 0.256 388 HA SER 62 HA SER 62 14.042 1.008 -0.044 389 1HB SER 62 1HB SER 62 14.610 0.545 -2.168 390 2HB SER 62 2HB SER 62 16.159 -0.162 -1.677 391 HG SER 62 HG SER 62 15.270 -2.169 -1.630 392 H ALA 63 H ALA 63 12.365 -0.288 0.712 393 HA ALA 63 HA ALA 63 12.944 -2.209 2.675 394 1HB ALA 63 1HB ALA 63 10.861 -0.687 2.291 395 2HB ALA 63 2HB ALA 63 10.309 -1.986 1.207 396 3HB ALA 63 3HB ALA 63 10.610 -2.331 2.927 397 H SER 64 H SER 64 12.093 -4.526 2.598 398 HA SER 64 HA SER 64 11.915 -5.686 0.015 399 1HB SER 64 1HB SER 64 13.883 -7.288 0.536 400 2HB SER 64 2HB SER 64 14.279 -5.665 -0.055 401 HG SER 64 HG SER 64 15.271 -5.244 1.797 402 H THR 65 H THR 65 10.163 -6.990 0.420 403 HA THR 65 HA THR 65 10.270 -9.234 1.988 404 HB THR 65 HB THR 65 10.087 -6.909 3.623 405 HG1 THR 65 1HG THR 65 10.538 -8.635 4.941 406 1HG2 THR 65 1HG2 THR 65 7.560 -7.025 2.995 407 2HG2 THR 65 2HG2 THR 65 7.550 -8.592 3.839 408 3HG2 THR 65 3HG2 THR 65 7.955 -7.104 4.729 409 H SER 66 H SER 66 7.870 -10.010 2.556 410 HA SER 66 HA SER 66 6.497 -9.616 0.064 411 1HB SER 66 1HB SER 66 5.123 -11.524 0.774 412 2HB SER 66 2HB SER 66 6.844 -11.906 0.950 413 HG SER 66 HG SER 66 5.983 -12.574 2.869 414 H LEU 67 H LEU 67 4.791 -8.214 -0.165 415 HA LEU 67 HA LEU 67 3.510 -7.298 2.313 416 1HB LEU 67 1HB LEU 67 4.321 -5.960 -0.204 417 2HB LEU 67 2HB LEU 67 2.829 -5.403 0.574 418 HG LEU 67 HG LEU 67 4.121 -4.980 2.649 419 1HD1 LEU 67 1HD1 LEU 67 5.989 -6.679 1.655 420 2HD1 LEU 67 2HD1 LEU 67 6.734 -5.106 1.279 421 3HD1 LEU 67 3HD1 LEU 67 6.287 -5.500 2.955 422 1HD2 LEU 67 1HD2 LEU 67 5.134 -2.938 1.927 423 2HD2 LEU 67 2HD2 LEU 67 5.321 -3.549 0.266 424 3HD2 LEU 67 3HD2 LEU 67 3.696 -3.225 0.918 425 H THR 68 H THR 68 1.222 -7.186 2.414 426 HA THR 68 HA THR 68 -0.063 -9.030 0.555 427 HB THR 68 HB THR 68 -0.274 -9.365 3.024 428 HG1 THR 68 1HG THR 68 -2.071 -9.888 1.587 429 1HG2 THR 68 1HG2 THR 68 -1.961 -6.826 3.037 430 2HG2 THR 68 2HG2 THR 68 -1.414 -7.789 4.430 431 3HG2 THR 68 3HG2 THR 68 -0.250 -6.793 3.522 432 H VAL 69 H VAL 69 -0.593 -8.075 -1.341 433 HA VAL 69 HA VAL 69 -1.460 -5.360 -1.411 434 HB VAL 69 HB VAL 69 -1.872 -7.310 -3.642 435 1HG1 VAL 69 1HG1 VAL 69 -2.039 -4.542 -3.385 436 2HG1 VAL 69 2HG1 VAL 69 -0.478 -4.807 -4.199 437 3HG1 VAL 69 3HG1 VAL 69 -1.974 -5.466 -4.904 438 1HG2 VAL 69 1HG2 VAL 69 0.678 -6.821 -2.274 439 2HG2 VAL 69 2HG2 VAL 69 0.234 -8.068 -3.465 440 3HG2 VAL 69 3HG2 VAL 69 0.729 -6.450 -4.014 441 H ARG 70 H ARG 70 -3.120 -6.021 0.420 442 HA ARG 70 HA ARG 70 -5.287 -7.539 -0.077 443 1HB ARG 70 1HB ARG 70 -6.502 -5.956 1.510 444 2HB ARG 70 2HB ARG 70 -4.943 -6.545 2.112 445 1HG ARG 70 1HG ARG 70 -4.385 -4.199 0.614 446 2HG ARG 70 2HG ARG 70 -5.810 -3.814 1.594 447 1HD ARG 70 1HD ARG 70 -4.193 -3.324 3.155 448 2HD ARG 70 2HD ARG 70 -4.309 -5.058 3.484 449 HE ARG 70 HE ARG 70 -2.417 -4.552 1.364 450 1HH1 ARG 70 1HH1 ARG 70 -2.782 -4.309 4.855 451 2HH1 ARG 70 2HH1 ARG 70 -1.086 -4.451 5.172 452 1HH2 ARG 70 1HH2 ARG 70 -0.178 -4.740 1.780 453 2HH2 ARG 70 2HH2 ARG 70 0.406 -4.698 3.410 454 H ARG 71 H ARG 71 -7.285 -7.289 -1.168 455 HA ARG 71 HA ARG 71 -7.437 -4.871 -2.781 456 1HB ARG 71 1HB ARG 71 -7.144 -6.859 -4.163 457 2HB ARG 71 2HB ARG 71 -8.464 -7.698 -3.332 458 1HG ARG 71 1HG ARG 71 -9.577 -5.266 -4.230 459 2HG ARG 71 2HG ARG 71 -8.564 -5.820 -5.575 460 1HD ARG 71 1HD ARG 71 -10.917 -7.200 -4.252 461 2HD ARG 71 2HD ARG 71 -10.672 -6.852 -5.971 462 HE ARG 71 HE ARG 71 -8.578 -8.579 -5.103 463 1HH1 ARG 71 1HH1 ARG 71 -12.061 -8.658 -5.597 464 2HH1 ARG 71 2HH1 ARG 71 -12.103 -10.358 -5.929 465 1HH2 ARG 71 1HH2 ARG 71 -8.633 -10.821 -5.541 466 2HH2 ARG 71 2HH2 ARG 71 -10.141 -11.596 -5.897 467 H SER 72 H SER 72 -9.722 -7.524 -1.771 468 HA SER 72 HA SER 72 -11.917 -5.864 -1.677 469 1HB SER 72 1HB SER 72 -13.057 -7.698 -0.621 470 2HB SER 72 2HB SER 72 -11.897 -8.398 -1.764 471 HG SER 72 HG SER 72 -10.736 -9.225 -0.124 472 H PHE 73 H PHE 73 -11.300 -3.924 -0.510 473 HA PHE 73 HA PHE 73 -11.986 -3.947 2.185 474 1HB PHE 73 1HB PHE 73 -9.941 -4.212 3.237 475 2HB PHE 73 2HB PHE 73 -9.360 -4.852 1.696 476 HD1 PHE 73 1HD PHE 73 -8.127 -3.367 0.145 477 HD2 PHE 73 2HD PHE 73 -9.258 -2.077 4.027 478 HE1 PHE 73 1HE PHE 73 -6.479 -1.478 -0.002 479 HE2 PHE 73 2HE PHE 73 -7.611 -0.189 3.879 480 HZ PHE 73 HZ PHE 73 -6.242 0.088 1.867 481 H GLU 74 H GLU 74 -10.927 -1.699 3.224 482 HA GLU 74 HA GLU 74 -10.574 0.290 1.231 483 1HB GLU 74 1HB GLU 74 -13.245 -0.257 2.253 484 2HB GLU 74 2HB GLU 74 -12.750 1.397 2.659 485 1HG GLU 74 1HG GLU 74 -12.451 1.982 0.385 486 2HG GLU 74 2HG GLU 74 -12.355 0.295 -0.143 487 HE2 GLU 74 HE2 GLU 74 -15.674 1.474 -0.943 488 H GLY 75 H GLY 75 -10.287 2.519 2.297 489 1HA GLY 75 1HA GLY 75 -9.428 2.201 5.110 490 2HA GLY 75 2HA GLY 75 -8.435 2.998 3.906 491 H PHE 76 H PHE 76 -8.537 4.924 5.327 492 HA PHE 76 HA PHE 76 -11.150 6.234 5.299 493 1HB PHE 76 1HB PHE 76 -8.487 6.688 6.761 494 2HB PHE 76 2HB PHE 76 -9.884 7.748 6.968 495 HD1 PHE 76 1HD PHE 76 -11.117 7.384 8.870 496 HD2 PHE 76 2HD PHE 76 -9.156 4.079 7.071 497 HE1 PHE 76 1HE PHE 76 -11.962 5.888 10.699 498 HE2 PHE 76 2HE PHE 76 -10.001 2.582 8.900 499 HZ PHE 76 HZ PHE 76 -11.393 3.505 10.693 500 H LEU 77 H LEU 77 -11.455 8.290 4.371 501 HA LEU 77 HA LEU 77 -9.671 8.904 2.242 502 1HB LEU 77 1HB LEU 77 -12.325 9.645 3.157 503 2HB LEU 77 2HB LEU 77 -11.422 11.028 2.515 504 HG LEU 77 HG LEU 77 -12.049 8.429 1.088 505 1HD1 LEU 77 1HD1 LEU 77 -13.368 11.048 1.238 506 2HD1 LEU 77 2HD1 LEU 77 -13.071 10.479 -0.422 507 3HD1 LEU 77 3HD1 LEU 77 -13.995 9.466 0.714 508 1HD2 LEU 77 1HD2 LEU 77 -10.979 10.592 -0.551 509 2HD2 LEU 77 2HD2 LEU 77 -9.821 10.025 0.676 510 3HD2 LEU 77 3HD2 LEU 77 -10.529 8.872 -0.480 511 H PHE 78 H PHE 78 -10.367 10.221 5.508 512 HA PHE 78 HA PHE 78 -8.912 11.323 6.825 513 1HB PHE 78 1HB PHE 78 -7.200 10.547 4.901 514 2HB PHE 78 2HB PHE 78 -7.330 12.231 4.379 515 HD1 PHE 78 1HD PHE 78 -6.460 10.096 7.293 516 HD2 PHE 78 2HD PHE 78 -6.036 13.879 5.419 517 HE1 PHE 78 1HE PHE 78 -4.714 10.735 8.979 518 HE2 PHE 78 2HE PHE 78 -4.289 14.518 7.104 519 HZ PHE 78 HZ PHE 78 -3.649 12.938 8.864 520 H ASP 79 H ASP 79 -10.906 12.331 4.391 521 HA ASP 79 HA ASP 79 -11.114 14.907 5.538 522 1HB ASP 79 1HB ASP 79 -9.256 14.947 3.655 523 2HB ASP 79 2HB ASP 79 -10.636 14.912 2.546 524 HD2 ASP 79 HD2 ASP 79 -9.704 18.360 3.231 525 H GLY 80 H GLY 80 -12.594 12.302 4.888 526 1HA GLY 80 1HA GLY 80 -15.089 13.409 4.168 527 2HA GLY 80 2HA GLY 80 -14.390 12.603 2.777 528 H THR 81 H THR 81 -13.776 11.635 6.178 529 HA THR 81 HA THR 81 -14.243 9.776 7.305 530 HB THR 81 HB THR 81 -16.675 10.640 6.177 531 HG1 THR 81 1HG THR 81 -16.148 8.335 7.909 532 1HG2 THR 81 1HG2 THR 81 -16.332 8.521 4.627 533 2HG2 THR 81 2HG2 THR 81 -16.640 7.600 6.119 534 3HG2 THR 81 3HG2 THR 81 -17.880 8.709 5.485 535 H ARG 82 H ARG 82 -14.725 7.270 7.001 536 HA ARG 82 HA ARG 82 -12.939 6.539 4.847 537 1HB ARG 82 1HB ARG 82 -12.637 4.424 6.089 538 2HB ARG 82 2HB ARG 82 -12.363 5.805 7.166 539 1HG ARG 82 1HG ARG 82 -14.241 5.366 8.413 540 2HG ARG 82 2HG ARG 82 -15.166 4.761 7.026 541 1HD ARG 82 1HD ARG 82 -13.982 2.634 7.105 542 2HD ARG 82 2HD ARG 82 -12.867 3.237 8.340 543 HE ARG 82 HE ARG 82 -15.584 3.493 9.253 544 1HH1 ARG 82 1HH1 ARG 82 -13.108 1.061 8.674 545 2HH1 ARG 82 2HH1 ARG 82 -13.731 -0.038 9.859 546 1HH2 ARG 82 1HH2 ARG 82 -16.406 2.043 10.815 547 2HH2 ARG 82 2HH2 ARG 82 -15.619 0.524 11.085 548 H TRP 83 H TRP 83 -13.433 4.382 3.700 549 HA TRP 83 HA TRP 83 -16.235 4.391 2.960 550 1HB TRP 83 1HB TRP 83 -14.021 2.713 1.798 551 2HB TRP 83 2HB TRP 83 -15.579 3.122 1.073 552 HD1 TRP 83 HD TRP 83 -12.072 4.578 1.636 553 HE1 TRP 83 1HE TRP 83 -11.694 6.768 0.213 554 HE3 TRP 83 3HE TRP 83 -16.898 5.043 0.101 555 HZ2 TRP 83 2HZ TRP 83 -13.417 8.412 -1.360 556 HZ3 TRP 83 3HZ TRP 83 -17.466 6.969 -1.377 557 HH2 TRP 83 HH TRP 83 -15.817 8.618 -2.106 558 H GLY 84 H GLY 84 -13.680 2.056 4.084 559 1HA GLY 84 1HA GLY 84 -14.468 0.728 6.058 560 2HA GLY 84 2HA GLY 84 -15.859 0.317 5.074 561 H THR 85 H THR 85 -15.713 -1.302 3.499 562 HA THR 85 HA THR 85 -13.102 -2.252 2.693 563 HB THR 85 HB THR 85 -14.867 -3.627 4.707 564 HG1 THR 85 1HG THR 85 -12.119 -4.199 4.121 565 1HG2 THR 85 1HG2 THR 85 -15.031 -5.480 3.306 566 2HG2 THR 85 2HG2 THR 85 -13.684 -4.942 2.276 567 3HG2 THR 85 3HG2 THR 85 -13.352 -5.721 3.840 568 H VAL 86 H VAL 86 -13.438 -1.962 0.552 569 HA VAL 86 HA VAL 86 -15.647 -3.519 -0.571 570 HB VAL 86 HB VAL 86 -15.841 -0.839 -0.333 571 1HG1 VAL 86 1HG1 VAL 86 -15.346 0.189 -2.528 572 2HG1 VAL 86 2HG1 VAL 86 -13.874 -0.363 -1.693 573 3HG1 VAL 86 3HG1 VAL 86 -14.544 -1.317 -3.039 574 1HG2 VAL 86 1HG2 VAL 86 -17.195 -2.905 -1.655 575 2HG2 VAL 86 2HG2 VAL 86 -17.788 -1.255 -1.346 576 3HG2 VAL 86 3HG2 VAL 86 -16.978 -1.637 -2.885 577 H ASP 87 H ASP 87 -15.276 -3.823 -3.025 578 HA ASP 87 HA ASP 87 -12.878 -5.073 -3.365 579 1HB ASP 87 1HB ASP 87 -14.335 -3.830 -5.705 580 2HB ASP 87 2HB ASP 87 -13.554 -5.416 -5.613 581 HD2 ASP 87 HD2 ASP 87 -17.230 -5.068 -4.107 582 H CYS 88 H CYS 88 -10.833 -4.134 -3.482 583 HA CYS 88 HA CYS 88 -10.525 -1.373 -3.952 584 1HB CYS 88 1HB CYS 88 -8.773 -3.687 -3.401 585 2HB CYS 88 2HB CYS 88 -8.015 -2.304 -4.212 586 H THR 89 H THR 89 -10.116 -4.396 -5.873 587 HA THR 89 HA THR 89 -8.804 -3.491 -8.072 588 HB THR 89 HB THR 89 -9.793 -5.832 -7.423 589 HG1 THR 89 1HG THR 89 -9.816 -6.242 -9.808 590 1HG2 THR 89 1HG2 THR 89 -12.239 -4.590 -7.859 591 2HG2 THR 89 2HG2 THR 89 -11.905 -5.302 -9.455 592 3HG2 THR 89 3HG2 THR 89 -11.965 -6.342 -8.012 593 H THR 90 H THR 90 -12.051 -2.608 -7.006 594 HA THR 90 HA THR 90 -12.890 -1.595 -9.530 595 HB THR 90 HB THR 90 -13.808 -1.482 -6.640 596 HG1 THR 90 1HG THR 90 -14.268 -3.269 -8.167 597 1HG2 THR 90 1HG2 THR 90 -14.499 0.437 -8.815 598 2HG2 THR 90 2HG2 THR 90 -15.900 -0.405 -8.112 599 3HG2 THR 90 3HG2 THR 90 -14.819 0.549 -7.068 600 H ALA 91 H ALA 91 -10.842 -0.395 -6.932 601 HA ALA 91 HA ALA 91 -10.721 2.162 -8.380 602 1HB ALA 91 1HB ALA 91 -11.797 2.729 -6.367 603 2HB ALA 91 2HB ALA 91 -10.848 1.560 -5.418 604 3HB ALA 91 3HB ALA 91 -10.083 3.052 -6.015 605 H ALA 92 H ALA 92 -9.216 -0.651 -8.171 606 HA ALA 92 HA ALA 92 -7.107 -1.389 -8.018 607 1HB ALA 92 1HB ALA 92 -5.571 0.357 -9.381 608 2HB ALA 92 2HB ALA 92 -6.782 -0.677 -10.176 609 3HB ALA 92 3HB ALA 92 -7.172 1.017 -9.792 610 H CYS 93 H CYS 93 -7.217 -0.996 -5.593 611 HA CYS 93 HA CYS 93 -6.253 1.268 -4.393 612 1HB CYS 93 1HB CYS 93 -6.304 -1.617 -3.622 613 2HB CYS 93 2HB CYS 93 -5.483 -0.443 -2.579 614 H GLN 94 H GLN 94 -4.016 1.174 -3.047 615 HA GLN 94 HA GLN 94 -1.949 0.070 -4.754 616 1HB GLN 94 1HB GLN 94 -0.709 2.123 -4.846 617 2HB GLN 94 2HB GLN 94 -2.360 2.498 -5.370 618 1HG GLN 94 1HG GLN 94 -2.207 2.777 -2.504 619 2HG GLN 94 2HG GLN 94 -0.856 3.669 -3.220 620 1HE2 GLN 94 1HE2 GLN 94 -4.301 3.338 -2.920 621 2HE2 GLN 94 2HE2 GLN 94 -4.768 4.845 -3.634 622 H VAL 95 H VAL 95 0.102 -0.295 -3.635 623 HA VAL 95 HA VAL 95 -0.164 -0.101 -0.715 624 HB VAL 95 HB VAL 95 -0.514 -2.370 -1.280 625 1HG1 VAL 95 1HG1 VAL 95 0.161 -2.553 -3.534 626 2HG1 VAL 95 2HG1 VAL 95 1.822 -2.026 -3.171 627 3HG1 VAL 95 3HG1 VAL 95 1.261 -3.629 -2.639 628 1HG2 VAL 95 1HG2 VAL 95 2.416 -2.516 -0.683 629 2HG2 VAL 95 2HG2 VAL 95 1.363 -1.644 0.457 630 3HG2 VAL 95 3HG2 VAL 95 1.045 -3.356 0.085 631 H GLY 96 H GLY 96 1.377 1.156 0.189 632 1HA GLY 96 1HA GLY 96 3.958 1.380 -1.237 633 2HA GLY 96 2HA GLY 96 3.111 2.782 -0.614 634 H LEU 97 H LEU 97 5.535 2.653 0.403 635 HA LEU 97 HA LEU 97 5.368 1.128 2.896 636 1HB LEU 97 1HB LEU 97 7.451 1.728 1.023 637 2HB LEU 97 2HB LEU 97 7.893 2.339 2.628 638 HG LEU 97 HG LEU 97 8.787 0.223 2.665 639 1HD1 LEU 97 1HD1 LEU 97 7.649 -0.996 4.278 640 2HD1 LEU 97 2HD1 LEU 97 6.978 0.642 4.473 641 3HD1 LEU 97 3HD1 LEU 97 6.051 -0.602 3.600 642 1HD2 LEU 97 1HD2 LEU 97 6.634 -0.420 0.738 643 2HD2 LEU 97 2HD2 LEU 97 8.346 -0.905 0.764 644 3HD2 LEU 97 3HD2 LEU 97 7.166 -1.753 1.792 645 H SER 98 H SER 98 5.863 2.191 4.932 646 HA SER 98 HA SER 98 5.657 5.084 4.784 647 1HB SER 98 1HB SER 98 3.625 3.262 5.765 648 2HB SER 98 2HB SER 98 4.196 4.288 7.093 649 HG SER 98 HG SER 98 2.880 4.998 4.652 650 H ASP 99 H ASP 99 6.628 6.189 6.626 651 HA ASP 99 HA ASP 99 8.500 4.452 7.995 652 1HB ASP 99 1HB ASP 99 9.075 7.121 8.660 653 2HB ASP 99 2HB ASP 99 9.917 6.138 7.453 654 HD2 ASP 99 HD2 ASP 99 8.780 8.115 4.911 655 H ALA 100 H ALA 100 9.095 5.718 10.325 656 HA ALA 100 HA ALA 100 6.927 5.230 11.983 657 1HB ALA 100 1HB ALA 100 9.010 7.155 12.897 658 2HB ALA 100 2HB ALA 100 8.437 5.647 13.648 659 3HB ALA 100 3HB ALA 100 9.599 5.585 12.301 660 H ALA 101 H ALA 101 7.617 7.918 9.909 661 HA ALA 101 HA ALA 101 6.025 9.757 11.494 662 1HB ALA 101 1HB ALA 101 7.686 9.943 8.966 663 2HB ALA 101 2HB ALA 101 6.590 11.256 9.460 664 3HB ALA 101 3HB ALA 101 7.931 10.768 10.524 665 H GLY 102 H GLY 102 5.513 7.211 9.325 666 1HA GLY 102 1HA GLY 102 3.514 6.494 8.492 667 2HA GLY 102 2HA GLY 102 2.773 8.027 8.904 668 H ASN 103 H ASN 103 5.667 8.775 7.346 669 HA ASN 103 HA ASN 103 5.931 9.887 5.462 670 1HB ASN 103 1HB ASN 103 6.279 7.281 5.061 671 2HB ASN 103 2HB ASN 103 4.868 7.445 4.004 672 1HD2 ASN 103 1HD2 ASN 103 5.851 7.142 2.090 673 2HD2 ASN 103 2HD2 ASN 103 7.041 8.194 1.399 674 H GLY 104 H GLY 104 4.576 9.277 2.833 675 1HA GLY 104 1HA GLY 104 1.870 10.325 3.413 676 2HA GLY 104 2HA GLY 104 2.894 10.979 2.151 677 HA PRO 105 HA PRO 105 0.422 7.503 0.442 678 1HB PRO 105 1HB PRO 105 -1.228 8.910 -1.218 679 2HB PRO 105 2HB PRO 105 -1.705 8.383 0.394 680 1HG PRO 105 1HG PRO 105 -0.901 11.053 -0.568 681 2HG PRO 105 2HG PRO 105 -1.831 10.627 0.913 682 1HD PRO 105 1HD PRO 105 0.909 11.429 0.701 683 2HD PRO 105 2HD PRO 105 0.086 10.865 2.160 684 H GLU 106 H GLU 106 1.109 6.306 -1.250 685 HA GLU 106 HA GLU 106 1.625 7.312 -3.702 686 1HB GLU 106 1HB GLU 106 3.767 7.961 -1.810 687 2HB GLU 106 2HB GLU 106 4.368 7.041 -3.201 688 1HG GLU 106 1HG GLU 106 2.448 9.174 -3.910 689 2HG GLU 106 2HG GLU 106 3.924 9.785 -3.147 690 HE2 GLU 106 HE2 GLU 106 5.815 9.071 -5.937 691 H GLY 107 H GLY 107 0.574 4.977 -2.451 692 1HA GLY 107 1HA GLY 107 2.427 2.826 -2.447 693 2HA GLY 107 2HA GLY 107 0.678 2.726 -2.466 694 H VAL 108 H VAL 108 1.647 0.804 -3.938 695 HA VAL 108 HA VAL 108 1.898 1.814 -6.678 696 HB VAL 108 HB VAL 108 2.804 -0.656 -5.241 697 1HG1 VAL 108 1HG1 VAL 108 1.568 -1.431 -7.247 698 2HG1 VAL 108 2HG1 VAL 108 2.611 -0.405 -8.262 699 3HG1 VAL 108 3HG1 VAL 108 3.314 -1.759 -7.347 700 1HG2 VAL 108 1HG2 VAL 108 4.567 0.807 -5.260 701 2HG2 VAL 108 2HG2 VAL 108 4.842 0.010 -6.828 702 3HG2 VAL 108 3HG2 VAL 108 4.042 1.599 -6.765 703 H ALA 109 H ALA 109 0.109 1.760 -7.928 704 HA ALA 109 HA ALA 109 -2.256 0.519 -7.006 705 1HB ALA 109 1HB ALA 109 -1.568 1.576 -9.777 706 2HB ALA 109 2HB ALA 109 -3.194 1.348 -9.091 707 3HB ALA 109 3HB ALA 109 -2.111 2.589 -8.417 708 H ILE 110 H ILE 110 -2.650 -1.633 -7.000 709 HA ILE 110 HA ILE 110 -1.427 -3.199 -9.164 710 HB ILE 110 HB ILE 110 -2.022 -3.880 -6.292 711 1HG1 ILE 110 1HG1 ILE 110 0.454 -3.644 -7.978 712 2HG1 ILE 110 2HG1 ILE 110 0.086 -2.876 -6.424 713 1HG2 ILE 110 1HG2 ILE 110 -2.273 -6.036 -6.748 714 2HG2 ILE 110 2HG2 ILE 110 -2.376 -5.614 -8.474 715 3HG2 ILE 110 3HG2 ILE 110 -0.807 -6.049 -7.756 716 1HD1 ILE 110 1HD1 ILE 110 1.212 -4.570 -5.429 717 2HD1 ILE 110 2HD1 ILE 110 -0.091 -5.664 -5.953 718 3HD1 ILE 110 3HD1 ILE 110 1.351 -5.446 -6.973 719 H SER 111 H SER 111 -2.724 -4.629 -10.344 720 HA SER 111 HA SER 111 -5.541 -4.057 -10.061 721 1HB SER 111 1HB SER 111 -3.748 -4.576 -12.249 722 2HB SER 111 2HB SER 111 -5.026 -5.803 -12.279 723 HG SER 111 HG SER 111 -5.547 -2.969 -12.030 724 H PHE 112 H PHE 112 -6.528 -5.388 -8.559 725 HA PHE 112 HA PHE 112 -5.600 -8.098 -8.253 726 1HB PHE 112 1HB PHE 112 -8.092 -6.814 -7.051 727 2HB PHE 112 2HB PHE 112 -7.029 -8.011 -6.301 728 HD1 PHE 112 1HD PHE 112 -4.973 -7.320 -5.217 729 HD2 PHE 112 2HD PHE 112 -7.516 -4.462 -7.055 730 HE1 PHE 112 1HE PHE 112 -3.756 -5.474 -4.029 731 HE2 PHE 112 2HE PHE 112 -6.299 -2.617 -5.867 732 HZ PHE 112 HZ PHE 112 -4.433 -3.144 -4.369 733 H ASN 113 H ASN 113 -6.474 -9.884 -9.204 734 HA ASN 113 HA ASN 113 -7.670 -11.004 -10.655 735 1HB ASN 113 1HB ASN 113 -9.377 -10.163 -8.437 736 2HB ASN 113 2HB ASN 113 -10.356 -10.418 -9.891 737 1HD2 ASN 113 1HD2 ASN 113 -11.322 -12.199 -8.868 738 2HD2 ASN 113 2HD2 ASN 113 -10.537 -13.738 -8.753 Start of MODEL 20 1 H ALA 1 H ALA 1 9.189 10.769 -4.564 2 HA ALA 1 HA ALA 1 7.322 9.558 -6.330 3 1HB ALA 1 1HB ALA 1 9.063 10.842 -8.171 4 2HB ALA 1 2HB ALA 1 7.308 11.077 -7.983 5 3HB ALA 1 3HB ALA 1 8.446 12.113 -7.087 6 H ALA 2 H ALA 2 10.723 10.532 -5.618 7 HA ALA 2 HA ALA 2 11.860 8.310 -6.952 8 1HB ALA 2 1HB ALA 2 12.700 10.676 -5.541 9 2HB ALA 2 2HB ALA 2 13.580 9.273 -4.889 10 3HB ALA 2 3HB ALA 2 13.644 9.633 -6.631 11 HA PRO 3 HA PRO 3 11.996 6.431 -2.631 12 1HB PRO 3 1HB PRO 3 10.964 7.765 -0.482 13 2HB PRO 3 2HB PRO 3 12.670 7.817 -0.921 14 1HG PRO 3 1HG PRO 3 10.548 9.829 -1.312 15 2HG PRO 3 2HG PRO 3 12.334 10.065 -1.314 16 1HD PRO 3 1HD PRO 3 10.545 10.004 -3.549 17 2HD PRO 3 2HD PRO 3 12.310 10.078 -3.613 18 H THR 4 H THR 4 10.742 4.695 -2.825 19 HA THR 4 HA THR 4 8.211 4.636 -1.708 20 HB THR 4 HB THR 4 7.193 4.413 -4.280 21 HG1 THR 4 1HG THR 4 8.581 5.607 -5.519 22 1HG2 THR 4 1HG2 THR 4 7.062 7.205 -3.594 23 2HG2 THR 4 2HG2 THR 4 5.797 5.973 -3.371 24 3HG2 THR 4 3HG2 THR 4 6.976 6.283 -2.075 25 H ALA 5 H ALA 5 7.175 2.560 -1.932 26 HA ALA 5 HA ALA 5 9.142 0.549 -2.673 27 1HB ALA 5 1HB ALA 5 7.778 0.728 -0.437 28 2HB ALA 5 2HB ALA 5 6.459 0.012 -1.394 29 3HB ALA 5 3HB ALA 5 7.997 -0.865 -1.201 30 H THR 6 H THR 6 8.003 -1.575 -3.608 31 HA THR 6 HA THR 6 5.870 -0.955 -5.461 32 HB THR 6 HB THR 6 7.200 -1.423 -7.456 33 HG1 THR 6 1HG THR 6 9.472 -2.023 -7.079 34 1HG2 THR 6 1HG2 THR 6 8.929 0.329 -7.417 35 2HG2 THR 6 2HG2 THR 6 7.508 0.924 -6.527 36 3HG2 THR 6 3HG2 THR 6 8.930 0.331 -5.637 37 H VAL 7 H VAL 7 4.915 -2.846 -6.416 38 HA VAL 7 HA VAL 7 5.448 -5.190 -4.758 39 HB VAL 7 HB VAL 7 3.102 -4.107 -6.266 40 1HG1 VAL 7 1HG1 VAL 7 3.253 -6.994 -5.348 41 2HG1 VAL 7 2HG1 VAL 7 1.926 -6.192 -6.222 42 3HG1 VAL 7 3HG1 VAL 7 3.483 -6.481 -7.036 43 1HG2 VAL 7 1HG2 VAL 7 3.697 -5.043 -3.465 44 2HG2 VAL 7 2HG2 VAL 7 3.009 -3.499 -4.023 45 3HG2 VAL 7 3HG2 VAL 7 2.018 -4.978 -4.057 46 H THR 8 H THR 8 6.757 -6.729 -5.581 47 HA THR 8 HA THR 8 7.983 -6.838 -7.921 48 HB THR 8 HB THR 8 6.985 -8.853 -5.955 49 HG1 THR 8 1HG THR 8 9.310 -9.212 -6.058 50 1HG2 THR 8 1HG2 THR 8 7.701 -10.780 -7.250 51 2HG2 THR 8 2HG2 THR 8 6.505 -9.925 -8.254 52 3HG2 THR 8 3HG2 THR 8 8.243 -9.747 -8.595 53 HA PRO 9 HA PRO 9 4.477 -8.837 -10.282 54 1HB PRO 9 1HB PRO 9 2.126 -9.508 -9.062 55 2HB PRO 9 2HB PRO 9 3.456 -10.643 -9.282 56 1HG PRO 9 1HG PRO 9 2.583 -9.192 -6.865 57 2HG PRO 9 2HG PRO 9 3.596 -10.676 -6.980 58 1HD PRO 9 1HD PRO 9 4.423 -7.994 -6.408 59 2HD PRO 9 2HD PRO 9 5.476 -9.390 -6.668 60 H SER 10 H SER 10 2.074 -7.538 -8.074 61 HA SER 10 HA SER 10 0.858 -5.738 -8.163 62 1HB SER 10 1HB SER 10 2.763 -4.324 -8.395 63 2HB SER 10 2HB SER 10 3.006 -4.782 -10.091 64 HG SER 10 HG SER 10 1.953 -2.909 -10.378 65 H SER 11 H SER 11 0.423 -8.098 -9.887 66 HA SER 11 HA SER 11 -1.653 -7.059 -11.429 67 1HB SER 11 1HB SER 11 -0.831 -7.766 -13.681 68 2HB SER 11 2HB SER 11 0.072 -6.393 -13.017 69 HG SER 11 HG SER 11 0.955 -9.126 -12.720 70 H GLY 12 H GLY 12 -3.173 -8.701 -11.667 71 1HA GLY 12 1HA GLY 12 -4.051 -10.779 -11.742 72 2HA GLY 12 2HA GLY 12 -2.455 -11.428 -12.060 73 H LEU 13 H LEU 13 -3.301 -9.380 -9.230 74 HA LEU 13 HA LEU 13 -2.429 -11.557 -7.516 75 1HB LEU 13 1HB LEU 13 -3.138 -8.725 -6.789 76 2HB LEU 13 2HB LEU 13 -2.254 -9.902 -5.803 77 HG LEU 13 HG LEU 13 -1.336 -8.330 -8.197 78 1HD1 LEU 13 1HD1 LEU 13 0.050 -8.856 -5.562 79 2HD1 LEU 13 2HD1 LEU 13 0.437 -7.622 -6.785 80 3HD1 LEU 13 3HD1 LEU 13 -1.063 -7.494 -5.836 81 1HD2 LEU 13 1HD2 LEU 13 -0.351 -10.167 -9.018 82 2HD2 LEU 13 2HD2 LEU 13 0.803 -9.948 -7.680 83 3HD2 LEU 13 3HD2 LEU 13 -0.557 -11.082 -7.505 84 H SER 14 H SER 14 -4.079 -10.311 -5.263 85 HA SER 14 HA SER 14 -6.763 -10.680 -6.005 86 1HB SER 14 1HB SER 14 -5.659 -13.074 -5.866 87 2HB SER 14 2HB SER 14 -5.814 -12.840 -4.118 88 HG SER 14 HG SER 14 -7.949 -12.707 -6.073 89 H ASP 15 H ASP 15 -8.210 -10.611 -3.955 90 HA ASP 15 HA ASP 15 -7.355 -8.537 -2.366 91 1HB ASP 15 1HB ASP 15 -9.348 -9.116 -0.950 92 2HB ASP 15 2HB ASP 15 -9.723 -9.019 -2.678 93 HD2 ASP 15 HD2 ASP 15 -10.895 -12.138 -0.880 94 H GLY 16 H GLY 16 -5.285 -9.127 -1.394 95 1HA GLY 16 1HA GLY 16 -4.508 -9.664 0.811 96 2HA GLY 16 2HA GLY 16 -5.528 -11.089 0.801 97 H THR 17 H THR 17 -3.586 -9.954 -2.001 98 HA THR 17 HA THR 17 -2.244 -12.528 -2.033 99 HB THR 17 HB THR 17 -2.625 -10.179 -3.926 100 HG1 THR 17 1HG THR 17 -3.249 -12.257 -5.157 101 1HG2 THR 17 1HG2 THR 17 -1.312 -11.948 -5.490 102 2HG2 THR 17 2HG2 THR 17 -0.442 -10.647 -4.642 103 3HG2 THR 17 3HG2 THR 17 -0.467 -12.292 -3.962 104 H VAL 18 H VAL 18 -0.765 -12.591 -0.368 105 HA VAL 18 HA VAL 18 0.970 -10.369 0.091 106 HB VAL 18 HB VAL 18 1.321 -13.189 1.087 107 1HG1 VAL 18 1HG1 VAL 18 2.746 -10.835 1.518 108 2HG1 VAL 18 2HG1 VAL 18 1.717 -10.989 2.962 109 3HG1 VAL 18 3HG1 VAL 18 2.814 -12.314 2.505 110 1HG2 VAL 18 1HG2 VAL 18 -0.109 -12.164 3.081 111 2HG2 VAL 18 2HG2 VAL 18 -0.819 -11.208 1.759 112 3HG2 VAL 18 3HG2 VAL 18 -0.880 -12.987 1.703 113 H VAL 19 H VAL 19 2.260 -9.850 -1.654 114 HA VAL 19 HA VAL 19 3.907 -12.054 -2.689 115 HB VAL 19 HB VAL 19 4.005 -10.886 -4.779 116 1HG1 VAL 19 1HG1 VAL 19 1.271 -11.347 -3.608 117 2HG1 VAL 19 2HG1 VAL 19 1.442 -10.741 -5.272 118 3HG1 VAL 19 3HG1 VAL 19 2.164 -12.302 -4.815 119 1HG2 VAL 19 1HG2 VAL 19 2.833 -8.653 -3.203 120 2HG2 VAL 19 2HG2 VAL 19 4.004 -8.625 -4.543 121 3HG2 VAL 19 3HG2 VAL 19 2.269 -8.828 -4.882 122 H LYS 20 H LYS 20 6.051 -11.021 -3.705 123 HA LYS 20 HA LYS 20 7.380 -9.839 -1.485 124 1HB LYS 20 1HB LYS 20 8.057 -11.193 -3.941 125 2HB LYS 20 2HB LYS 20 9.066 -9.751 -3.731 126 1HG LYS 20 1HG LYS 20 9.574 -10.523 -1.395 127 2HG LYS 20 2HG LYS 20 8.656 -12.006 -1.711 128 1HD LYS 20 1HD LYS 20 10.523 -12.916 -2.579 129 2HD LYS 20 2HD LYS 20 10.481 -11.715 -3.882 130 1HE LYS 20 1HE LYS 20 11.984 -10.283 -2.770 131 2HE LYS 20 2HE LYS 20 11.650 -10.988 -1.181 132 1HZ LYS 20 1HZ LYS 20 13.238 -12.102 -3.368 133 2HZ LYS 20 2HZ LYS 20 13.689 -11.830 -1.823 134 3HZ LYS 20 3HZ LYS 20 12.668 -13.056 -2.172 135 H VAL 21 H VAL 21 8.392 -7.761 -1.369 136 HA VAL 21 HA VAL 21 7.658 -5.861 -3.440 137 HB VAL 21 HB VAL 21 6.869 -5.558 -0.536 138 1HG1 VAL 21 1HG1 VAL 21 5.912 -3.593 -2.528 139 2HG1 VAL 21 2HG1 VAL 21 6.487 -3.356 -0.860 140 3HG1 VAL 21 3HG1 VAL 21 7.658 -3.533 -2.189 141 1HG2 VAL 21 1HG2 VAL 21 5.219 -6.925 -1.436 142 2HG2 VAL 21 2HG2 VAL 21 4.550 -5.297 -1.707 143 3HG2 VAL 21 3HG2 VAL 21 5.326 -6.175 -3.047 144 H ALA 22 H ALA 22 9.153 -4.176 -3.635 145 HA ALA 22 HA ALA 22 11.243 -4.069 -1.590 146 1HB ALA 22 1HB ALA 22 12.929 -4.625 -3.021 147 2HB ALA 22 2HB ALA 22 11.631 -5.475 -3.895 148 3HB ALA 22 3HB ALA 22 12.139 -3.851 -4.416 149 H GLY 23 H GLY 23 12.486 -2.015 -1.681 150 1HA GLY 23 1HA GLY 23 12.755 0.174 -2.488 151 2HA GLY 23 2HA GLY 23 11.162 0.115 -3.216 152 H ALA 24 H ALA 24 11.178 2.317 -1.968 153 HA ALA 24 HA ALA 24 9.339 2.678 -0.256 154 1HB ALA 24 1HB ALA 24 10.319 2.312 2.097 155 2HB ALA 24 2HB ALA 24 9.795 0.862 1.206 156 3HB ALA 24 3HB ALA 24 11.525 1.269 1.305 157 H GLY 25 H GLY 25 10.687 3.961 2.080 158 1HA GLY 25 1HA GLY 25 11.272 6.444 0.928 159 2HA GLY 25 2HA GLY 25 11.595 5.954 2.579 160 H LEU 26 H LEU 26 13.133 3.586 0.877 161 HA LEU 26 HA LEU 26 15.296 3.131 0.648 162 1HB LEU 26 1HB LEU 26 14.967 3.900 -1.507 163 2HB LEU 26 2HB LEU 26 14.901 5.601 -1.012 164 HG LEU 26 HG LEU 26 17.469 4.623 -0.306 165 1HD1 LEU 26 1HD1 LEU 26 17.428 4.223 -3.206 166 2HD1 LEU 26 2HD1 LEU 26 18.234 3.288 -1.924 167 3HD1 LEU 26 3HD1 LEU 26 16.523 2.980 -2.308 168 1HD2 LEU 26 1HD2 LEU 26 17.253 6.883 -0.818 169 2HD2 LEU 26 2HD2 LEU 26 18.125 6.225 -2.223 170 3HD2 LEU 26 3HD2 LEU 26 16.381 6.562 -2.336 171 H GLN 27 H GLN 27 15.278 3.644 3.120 172 HA GLN 27 HA GLN 27 16.789 6.025 3.704 173 1HB GLN 27 1HB GLN 27 15.193 4.035 5.254 174 2HB GLN 27 2HB GLN 27 16.533 4.809 6.118 175 1HG GLN 27 1HG GLN 27 15.580 6.933 5.949 176 2HG GLN 27 2HG GLN 27 14.651 6.529 4.498 177 1HE2 GLN 27 1HE2 GLN 27 13.778 7.795 6.944 178 2HE2 GLN 27 2HE2 GLN 27 12.529 6.814 7.637 179 H ALA 28 H ALA 28 17.277 3.134 5.669 180 HA ALA 28 HA ALA 28 19.421 1.954 4.442 181 1HB ALA 28 1HB ALA 28 20.077 4.595 5.383 182 2HB ALA 28 2HB ALA 28 20.954 3.398 6.367 183 3HB ALA 28 3HB ALA 28 21.133 3.396 4.596 184 H GLY 29 H GLY 29 18.044 0.322 5.483 185 1HA GLY 29 1HA GLY 29 17.846 -1.269 7.075 186 2HA GLY 29 2HA GLY 29 19.099 -0.478 8.012 187 H THR 30 H THR 30 16.349 1.460 6.936 188 HA THR 30 HA THR 30 15.540 1.751 9.720 189 HB THR 30 HB THR 30 14.795 3.246 7.149 190 HG1 THR 30 1HG THR 30 16.275 4.802 8.373 191 1HG2 THR 30 1HG2 THR 30 14.294 5.061 8.975 192 2HG2 THR 30 2HG2 THR 30 13.068 3.797 8.716 193 3HG2 THR 30 3HG2 THR 30 14.180 3.687 10.102 194 H ALA 31 H ALA 31 13.024 2.130 9.970 195 HA ALA 31 HA ALA 31 11.852 -0.362 9.024 196 1HB ALA 31 1HB ALA 31 11.275 -0.355 11.209 197 2HB ALA 31 2HB ALA 31 11.638 1.379 11.385 198 3HB ALA 31 3HB ALA 31 10.056 0.860 10.754 199 H TYR 32 H TYR 32 9.778 -0.427 7.974 200 HA TYR 32 HA TYR 32 8.746 2.135 7.040 201 1HB TYR 32 1HB TYR 32 9.906 -0.218 5.472 202 2HB TYR 32 2HB TYR 32 8.655 0.779 4.724 203 HD1 TYR 32 1HD TYR 32 11.887 0.243 4.345 204 HD2 TYR 32 2HD TYR 32 9.391 3.491 5.580 205 HE1 TYR 32 1HE TYR 32 13.666 1.901 3.602 206 HE2 TYR 32 2HE TYR 32 11.178 5.138 4.832 207 HH TYR 32 HH TYR 32 13.114 5.399 3.923 208 H ASP 33 H ASP 33 7.052 1.494 8.623 209 HA ASP 33 HA ASP 33 5.684 -0.816 8.614 210 1HB ASP 33 1HB ASP 33 5.198 1.960 9.382 211 2HB ASP 33 2HB ASP 33 3.694 1.187 8.867 212 HD2 ASP 33 HD2 ASP 33 5.423 -0.002 12.240 213 H VAL 34 H VAL 34 4.283 -1.845 7.155 214 HA VAL 34 HA VAL 34 4.051 -1.043 4.548 215 HB VAL 34 HB VAL 34 2.304 -2.811 6.263 216 1HG1 VAL 34 1HG1 VAL 34 2.037 -3.650 3.614 217 2HG1 VAL 34 2HG1 VAL 34 0.809 -2.820 4.598 218 3HG1 VAL 34 3HG1 VAL 34 1.882 -1.879 3.534 219 1HG2 VAL 34 1HG2 VAL 34 4.678 -3.278 4.455 220 2HG2 VAL 34 2HG2 VAL 34 4.448 -3.761 6.153 221 3HG2 VAL 34 3HG2 VAL 34 3.543 -4.587 4.862 222 H GLY 35 H GLY 35 2.404 -0.026 3.295 223 1HA GLY 35 1HA GLY 35 0.630 1.712 4.904 224 2HA GLY 35 2HA GLY 35 1.375 2.166 3.383 225 H GLN 36 H GLN 36 0.589 1.282 1.372 226 HA GLN 36 HA GLN 36 -0.851 0.397 -0.002 227 1HB GLN 36 1HB GLN 36 -0.838 -1.739 0.968 228 2HB GLN 36 2HB GLN 36 -1.634 -1.191 2.454 229 1HG GLN 36 1HG GLN 36 -3.653 -1.682 1.588 230 2HG GLN 36 2HG GLN 36 -3.353 -0.645 0.184 231 1HE2 GLN 36 1HE2 GLN 36 -3.457 -1.614 -1.680 232 2HE2 GLN 36 2HE2 GLN 36 -3.106 -3.274 -2.030 233 H CYS 37 H CYS 37 -2.252 1.877 -0.840 234 HA CYS 37 HA CYS 37 -4.477 2.681 0.882 235 1HB CYS 37 1HB CYS 37 -2.972 4.498 -0.994 236 2HB CYS 37 2HB CYS 37 -4.359 4.941 0.017 237 H ALA 38 H ALA 38 -6.088 4.001 -0.836 238 HA ALA 38 HA ALA 38 -6.104 2.750 -3.426 239 1HB ALA 38 1HB ALA 38 -8.468 2.240 -1.596 240 2HB ALA 38 2HB ALA 38 -8.103 1.496 -3.172 241 3HB ALA 38 3HB ALA 38 -7.124 1.083 -1.745 242 H TRP 39 H TRP 39 -8.387 3.455 -4.504 243 HA TRP 39 HA TRP 39 -8.695 6.285 -3.767 244 1HB TRP 39 1HB TRP 39 -7.702 6.106 -5.907 245 2HB TRP 39 2HB TRP 39 -8.857 4.879 -6.432 246 HD1 TRP 39 HD TRP 39 -11.609 6.034 -6.239 247 HE1 TRP 39 1HE TRP 39 -12.472 8.291 -7.299 248 HE3 TRP 39 3HE TRP 39 -7.025 8.189 -6.683 249 HZ2 TRP 39 2HZ TRP 39 -11.170 10.671 -8.184 250 HZ3 TRP 39 3HZ TRP 39 -6.909 10.481 -7.655 251 HH2 TRP 39 HH TRP 39 -8.884 11.716 -8.393 252 H VAL 40 H VAL 40 -10.776 7.035 -3.323 253 HA VAL 40 HA VAL 40 -12.730 5.060 -2.736 254 HB VAL 40 HB VAL 40 -12.664 8.075 -2.682 255 1HG1 VAL 40 1HG1 VAL 40 -14.886 8.173 -2.543 256 2HG1 VAL 40 2HG1 VAL 40 -14.991 6.412 -2.782 257 3HG1 VAL 40 3HG1 VAL 40 -14.848 7.080 -1.138 258 1HG2 VAL 40 1HG2 VAL 40 -11.309 7.055 -0.975 259 2HG2 VAL 40 2HG2 VAL 40 -12.791 7.674 -0.209 260 3HG2 VAL 40 3HG2 VAL 40 -12.618 5.932 -0.533 261 H ASP 41 H ASP 41 -13.932 7.977 -4.277 262 HA ASP 41 HA ASP 41 -14.141 6.952 -6.859 263 1HB ASP 41 1HB ASP 41 -15.869 5.628 -5.260 264 2HB ASP 41 2HB ASP 41 -16.869 7.050 -5.596 265 HD2 ASP 41 HD2 ASP 41 -16.646 6.046 -9.123 266 H THR 42 H THR 42 -13.429 9.407 -5.422 267 HA THR 42 HA THR 42 -14.687 11.330 -6.953 268 HB THR 42 HB THR 42 -16.080 10.629 -4.379 269 HG1 THR 42 1HG THR 42 -17.781 11.577 -5.871 270 1HG2 THR 42 1HG2 THR 42 -15.425 13.439 -5.308 271 2HG2 THR 42 2HG2 THR 42 -17.053 13.102 -4.672 272 3HG2 THR 42 3HG2 THR 42 -15.622 12.827 -3.649 273 H GLY 43 H GLY 43 -12.429 11.770 -7.143 274 1HA GLY 43 1HA GLY 43 -10.411 12.567 -6.439 275 2HA GLY 43 2HA GLY 43 -11.427 13.908 -5.951 276 H VAL 44 H VAL 44 -11.555 10.632 -4.483 277 HA VAL 44 HA VAL 44 -10.371 11.794 -2.057 278 HB VAL 44 HB VAL 44 -12.797 10.043 -2.415 279 1HG1 VAL 44 1HG1 VAL 44 -11.320 9.066 -0.668 280 2HG1 VAL 44 2HG1 VAL 44 -11.374 10.616 0.205 281 3HG1 VAL 44 3HG1 VAL 44 -12.864 9.670 -0.022 282 1HG2 VAL 44 1HG2 VAL 44 -12.378 12.829 -1.945 283 2HG2 VAL 44 2HG2 VAL 44 -13.914 11.938 -2.061 284 3HG2 VAL 44 3HG2 VAL 44 -13.111 12.124 -0.483 285 H LEU 45 H LEU 45 -8.972 10.439 -0.859 286 HA LEU 45 HA LEU 45 -8.318 7.916 -2.216 287 1HB LEU 45 1HB LEU 45 -6.742 9.977 -2.432 288 2HB LEU 45 2HB LEU 45 -6.247 9.536 -0.790 289 HG LEU 45 HG LEU 45 -6.244 7.224 -2.540 290 1HD1 LEU 45 1HD1 LEU 45 -5.168 9.723 -3.658 291 2HD1 LEU 45 2HD1 LEU 45 -4.021 8.363 -3.650 292 3HD1 LEU 45 3HD1 LEU 45 -5.599 8.192 -4.455 293 1HD2 LEU 45 1HD2 LEU 45 -5.054 7.749 -0.280 294 2HD2 LEU 45 2HD2 LEU 45 -4.232 6.757 -1.508 295 3HD2 LEU 45 3HD2 LEU 45 -3.803 8.474 -1.319 296 H ALA 46 H ALA 46 -8.670 6.172 -0.960 297 HA ALA 46 HA ALA 46 -8.789 6.638 1.935 298 1HB ALA 46 1HB ALA 46 -10.128 4.501 1.907 299 2HB ALA 46 2HB ALA 46 -10.877 5.842 1.006 300 3HB ALA 46 3HB ALA 46 -10.044 4.535 0.129 301 H CYS 47 H CYS 47 -6.903 6.141 2.937 302 HA CYS 47 HA CYS 47 -5.074 4.329 1.711 303 1HB CYS 47 1HB CYS 47 -5.082 6.228 3.929 304 2HB CYS 47 2HB CYS 47 -4.125 4.770 4.252 305 H ASN 48 H ASN 48 -4.063 2.583 3.374 306 HA ASN 48 HA ASN 48 -6.357 1.212 4.539 307 1HB ASN 48 1HB ASN 48 -5.100 0.225 2.445 308 2HB ASN 48 2HB ASN 48 -3.831 -0.205 3.602 309 1HD2 ASN 48 1HD2 ASN 48 -6.014 -1.617 1.929 310 2HD2 ASN 48 2HD2 ASN 48 -6.728 -2.753 3.024 311 HA PRO 49 HA PRO 49 -3.205 2.042 7.758 312 1HB PRO 49 1HB PRO 49 -4.854 3.207 9.598 313 2HB PRO 49 2HB PRO 49 -3.903 4.129 8.433 314 1HG PRO 49 1HG PRO 49 -6.784 3.489 8.449 315 2HG PRO 49 2HG PRO 49 -5.928 4.798 7.555 316 1HD PRO 49 1HD PRO 49 -6.966 2.330 6.538 317 2HD PRO 49 2HD PRO 49 -5.992 3.511 5.651 318 H ALA 50 H ALA 50 -4.416 -0.403 7.098 319 HA ALA 50 HA ALA 50 -4.823 -1.381 9.838 320 1HB ALA 50 1HB ALA 50 -6.792 -1.238 7.884 321 2HB ALA 50 2HB ALA 50 -6.193 -2.906 7.730 322 3HB ALA 50 3HB ALA 50 -6.804 -2.321 9.296 323 H ASP 51 H ASP 51 -2.862 -1.273 7.137 324 HA ASP 51 HA ASP 51 -2.254 -3.775 6.435 325 1HB ASP 51 1HB ASP 51 0.245 -2.811 6.526 326 2HB ASP 51 2HB ASP 51 -0.930 -2.220 5.340 327 HD2 ASP 51 HD2 ASP 51 -0.014 0.194 8.379 328 H PHE 52 H PHE 52 -0.682 -1.908 9.155 329 HA PHE 52 HA PHE 52 0.118 -2.549 11.112 330 1HB PHE 52 1HB PHE 52 -1.909 -4.458 10.451 331 2HB PHE 52 2HB PHE 52 -0.533 -5.428 10.987 332 HD1 PHE 52 1HD PHE 52 0.578 -3.584 13.062 333 HD2 PHE 52 2HD PHE 52 -3.421 -4.716 12.206 334 HE1 PHE 52 1HE PHE 52 -0.058 -3.141 15.449 335 HE2 PHE 52 2HE PHE 52 -4.057 -4.273 14.593 336 HZ PHE 52 HZ PHE 52 -2.368 -3.490 16.186 337 H SER 53 H SER 53 0.950 -3.937 8.125 338 HA SER 53 HA SER 53 2.979 -5.664 9.125 339 1HB SER 53 1HB SER 53 2.096 -4.709 6.404 340 2HB SER 53 2HB SER 53 3.650 -5.543 6.570 341 HG SER 53 HG SER 53 2.618 -7.408 6.810 342 H SER 54 H SER 54 5.343 -5.331 8.291 343 HA SER 54 HA SER 54 6.041 -2.576 7.940 344 1HB SER 54 1HB SER 54 7.770 -2.800 9.854 345 2HB SER 54 2HB SER 54 6.085 -2.487 10.304 346 HG SER 54 HG SER 54 6.517 -4.174 11.606 347 H VAL 55 H VAL 55 8.047 -2.363 6.846 348 HA VAL 55 HA VAL 55 9.449 -4.899 6.355 349 HB VAL 55 HB VAL 55 8.005 -4.047 4.473 350 1HG1 VAL 55 1HG1 VAL 55 8.918 -2.174 3.123 351 2HG1 VAL 55 2HG1 VAL 55 8.358 -1.656 4.731 352 3HG1 VAL 55 3HG1 VAL 55 10.100 -1.848 4.413 353 1HG2 VAL 55 1HG2 VAL 55 10.570 -5.193 4.468 354 2HG2 VAL 55 2HG2 VAL 55 9.368 -5.225 3.155 355 3HG2 VAL 55 3HG2 VAL 55 10.606 -3.949 3.196 356 H THR 56 H THR 56 11.777 -4.661 5.892 357 HA THR 56 HA THR 56 12.845 -2.217 7.149 358 HB THR 56 HB THR 56 13.564 -5.164 7.342 359 HG1 THR 56 1HG THR 56 12.287 -4.252 9.025 360 1HG2 THR 56 1HG2 THR 56 15.710 -3.962 6.826 361 2HG2 THR 56 2HG2 THR 56 15.336 -2.783 8.106 362 3HG2 THR 56 3HG2 THR 56 15.647 -4.485 8.525 363 H ALA 57 H ALA 57 14.503 -1.106 6.174 364 HA ALA 57 HA ALA 57 14.678 -1.301 3.401 365 1HB ALA 57 1HB ALA 57 16.854 0.141 3.994 366 2HB ALA 57 2HB ALA 57 15.213 0.799 4.191 367 3HB ALA 57 3HB ALA 57 16.092 0.164 5.603 368 H ASP 58 H ASP 58 17.227 -1.286 2.517 369 HA ASP 58 HA ASP 58 18.481 -3.653 3.612 370 1HB ASP 58 1HB ASP 58 18.824 -4.545 1.301 371 2HB ASP 58 2HB ASP 58 17.118 -4.507 1.770 372 HD2 ASP 58 HD2 ASP 58 17.146 -3.222 -1.533 373 H ALA 59 H ALA 59 20.753 -3.403 3.606 374 HA ALA 59 HA ALA 59 22.248 -1.434 3.649 375 1HB ALA 59 1HB ALA 59 22.683 -3.991 2.664 376 2HB ALA 59 2HB ALA 59 23.293 -2.953 1.352 377 3HB ALA 59 3HB ALA 59 23.945 -2.780 3.000 378 H ASN 60 H ASN 60 20.882 0.389 2.893 379 HA ASN 60 HA ASN 60 21.878 1.856 1.012 380 1HB ASN 60 1HB ASN 60 21.663 0.364 -0.824 381 2HB ASN 60 2HB ASN 60 20.057 -0.183 -0.323 382 1HD2 ASN 60 1HD2 ASN 60 19.307 0.231 -2.422 383 2HD2 ASN 60 2HD2 ASN 60 18.931 1.830 -2.973 384 H GLY 61 H GLY 61 18.784 0.342 2.055 385 1HA GLY 61 1HA GLY 61 17.412 1.856 3.455 386 2HA GLY 61 2HA GLY 61 17.547 3.029 2.160 387 H SER 62 H SER 62 17.517 0.417 0.294 388 HA SER 62 HA SER 62 14.796 0.696 -0.326 389 1HB SER 62 1HB SER 62 17.134 -0.388 -1.524 390 2HB SER 62 2HB SER 62 15.948 -1.705 -1.479 391 HG SER 62 HG SER 62 15.043 0.855 -2.331 392 H ALA 63 H ALA 63 13.023 -0.526 0.309 393 HA ALA 63 HA ALA 63 13.442 -2.410 2.430 394 1HB ALA 63 1HB ALA 63 10.777 -2.002 1.121 395 2HB ALA 63 2HB ALA 63 11.197 -2.105 2.847 396 3HB ALA 63 3HB ALA 63 11.521 -0.608 1.941 397 H SER 64 H SER 64 12.339 -4.606 2.365 398 HA SER 64 HA SER 64 11.842 -5.721 -0.174 399 1HB SER 64 1HB SER 64 13.688 -7.373 -0.169 400 2HB SER 64 2HB SER 64 14.297 -5.714 -0.316 401 HG SER 64 HG SER 64 15.278 -7.378 1.319 402 H THR 65 H THR 65 10.095 -6.973 0.372 403 HA THR 65 HA THR 65 10.253 -9.183 2.016 404 HB THR 65 HB THR 65 10.318 -6.896 3.600 405 HG1 THR 65 1HG THR 65 8.939 -9.410 4.189 406 1HG2 THR 65 1HG2 THR 65 7.503 -8.057 3.801 407 2HG2 THR 65 2HG2 THR 65 8.171 -6.652 4.665 408 3HG2 THR 65 3HG2 THR 65 7.828 -6.544 2.922 409 H SER 66 H SER 66 7.926 -9.977 2.642 410 HA SER 66 HA SER 66 6.414 -9.570 0.233 411 1HB SER 66 1HB SER 66 5.121 -11.514 0.966 412 2HB SER 66 2HB SER 66 6.855 -11.868 1.081 413 HG SER 66 HG SER 66 6.115 -10.821 3.446 414 H LEU 67 H LEU 67 4.809 -8.046 0.148 415 HA LEU 67 HA LEU 67 3.638 -7.206 2.696 416 1HB LEU 67 1HB LEU 67 4.392 -5.880 0.204 417 2HB LEU 67 2HB LEU 67 2.789 -5.419 0.801 418 HG LEU 67 HG LEU 67 3.725 -4.657 2.885 419 1HD1 LEU 67 1HD1 LEU 67 5.865 -6.422 2.241 420 2HD1 LEU 67 2HD1 LEU 67 6.538 -4.785 2.438 421 3HD1 LEU 67 3HD1 LEU 67 5.577 -5.516 3.745 422 1HD2 LEU 67 1HD2 LEU 67 4.878 -3.646 0.327 423 2HD2 LEU 67 2HD2 LEU 67 3.801 -2.851 1.500 424 3HD2 LEU 67 3HD2 LEU 67 5.539 -3.011 1.853 425 H THR 68 H THR 68 1.311 -6.943 2.865 426 HA THR 68 HA THR 68 -0.064 -9.013 1.369 427 HB THR 68 HB THR 68 -0.464 -9.032 3.735 428 HG1 THR 68 1HG THR 68 -2.555 -9.147 2.978 429 1HG2 THR 68 1HG2 THR 68 -0.417 -6.055 3.403 430 2HG2 THR 68 2HG2 THR 68 -1.639 -6.681 4.536 431 3HG2 THR 68 3HG2 THR 68 0.085 -7.044 4.796 432 H VAL 69 H VAL 69 -0.416 -8.363 -0.719 433 HA VAL 69 HA VAL 69 -1.343 -5.713 -1.259 434 HB VAL 69 HB VAL 69 -1.361 -8.104 -3.099 435 1HG1 VAL 69 1HG1 VAL 69 -0.564 -5.913 -4.546 436 2HG1 VAL 69 2HG1 VAL 69 -2.233 -6.524 -4.447 437 3HG1 VAL 69 3HG1 VAL 69 -1.709 -5.192 -3.391 438 1HG2 VAL 69 1HG2 VAL 69 0.999 -6.653 -3.559 439 2HG2 VAL 69 2HG2 VAL 69 0.914 -6.863 -1.793 440 3HG2 VAL 69 3HG2 VAL 69 0.853 -8.284 -2.863 441 H ARG 70 H ARG 70 -3.130 -6.081 0.486 442 HA ARG 70 HA ARG 70 -5.243 -7.767 -0.174 443 1HB ARG 70 1HB ARG 70 -6.521 -6.302 1.488 444 2HB ARG 70 2HB ARG 70 -5.019 -7.004 2.112 445 1HG ARG 70 1HG ARG 70 -4.291 -4.547 0.899 446 2HG ARG 70 2HG ARG 70 -5.770 -4.202 1.812 447 1HD ARG 70 1HD ARG 70 -4.516 -4.126 3.689 448 2HD ARG 70 2HD ARG 70 -4.172 -5.851 3.497 449 HE ARG 70 HE ARG 70 -2.168 -5.204 2.172 450 1HH1 ARG 70 1HH1 ARG 70 -3.706 -2.694 4.099 451 2HH1 ARG 70 2HH1 ARG 70 -2.287 -1.703 4.174 452 1HH2 ARG 70 1HH2 ARG 70 -0.296 -3.898 2.270 453 2HH2 ARG 70 2HH2 ARG 70 -0.334 -2.393 3.126 454 H ARG 71 H ARG 71 -7.381 -7.221 -1.035 455 HA ARG 71 HA ARG 71 -7.310 -4.767 -2.602 456 1HB ARG 71 1HB ARG 71 -7.203 -6.758 -4.038 457 2HB ARG 71 2HB ARG 71 -8.633 -7.449 -3.253 458 1HG ARG 71 1HG ARG 71 -9.397 -4.856 -4.089 459 2HG ARG 71 2HG ARG 71 -8.464 -5.521 -5.442 460 1HD ARG 71 1HD ARG 71 -10.984 -6.603 -4.143 461 2HD ARG 71 2HD ARG 71 -10.709 -6.224 -5.851 462 HE ARG 71 HE ARG 71 -8.871 -8.195 -5.419 463 1HH1 ARG 71 1HH1 ARG 71 -12.288 -7.984 -4.601 464 2HH1 ARG 71 2HH1 ARG 71 -12.548 -9.694 -4.701 465 1HH2 ARG 71 1HH2 ARG 71 -9.216 -10.450 -5.552 466 2HH2 ARG 71 2HH2 ARG 71 -10.789 -11.105 -5.245 467 H SER 72 H SER 72 -9.829 -7.244 -1.718 468 HA SER 72 HA SER 72 -11.796 -5.290 -1.409 469 1HB SER 72 1HB SER 72 -12.133 -7.740 -1.951 470 2HB SER 72 2HB SER 72 -11.803 -8.109 -0.250 471 HG SER 72 HG SER 72 -13.858 -7.684 0.120 472 H PHE 73 H PHE 73 -11.524 -3.711 0.160 473 HA PHE 73 HA PHE 73 -11.719 -4.510 2.876 474 1HB PHE 73 1HB PHE 73 -9.534 -3.439 3.533 475 2HB PHE 73 2HB PHE 73 -9.263 -4.819 2.463 476 HD1 PHE 73 1HD PHE 73 -7.924 -4.542 0.591 477 HD2 PHE 73 2HD PHE 73 -9.661 -1.113 2.385 478 HE1 PHE 73 1HE PHE 73 -6.609 -3.068 -0.956 479 HE2 PHE 73 2HE PHE 73 -8.347 0.363 0.838 480 HZ PHE 73 HZ PHE 73 -6.836 -0.632 -0.814 481 H GLU 74 H GLU 74 -11.162 -2.283 4.269 482 HA GLU 74 HA GLU 74 -12.450 -0.158 2.740 483 1HB GLU 74 1HB GLU 74 -13.657 0.498 4.783 484 2HB GLU 74 2HB GLU 74 -14.053 -1.168 4.327 485 1HG GLU 74 1HG GLU 74 -11.796 -1.378 6.007 486 2HG GLU 74 2HG GLU 74 -12.807 -0.143 6.772 487 HE2 GLU 74 HE2 GLU 74 -14.959 -2.551 7.914 488 H GLY 75 H GLY 75 -11.054 1.527 2.486 489 1HA GLY 75 1HA GLY 75 -8.791 1.795 4.288 490 2HA GLY 75 2HA GLY 75 -9.092 2.676 2.803 491 H PHE 76 H PHE 76 -8.377 4.553 4.226 492 HA PHE 76 HA PHE 76 -10.753 5.646 5.543 493 1HB PHE 76 1HB PHE 76 -7.960 5.123 6.506 494 2HB PHE 76 2HB PHE 76 -8.563 6.740 6.889 495 HD1 PHE 76 1HD PHE 76 -9.331 6.893 9.047 496 HD2 PHE 76 2HD PHE 76 -10.009 3.287 6.914 497 HE1 PHE 76 1HE PHE 76 -10.548 5.950 11.029 498 HE2 PHE 76 2HE PHE 76 -11.227 2.345 8.897 499 HZ PHE 76 HZ PHE 76 -11.482 3.688 10.929 500 H LEU 77 H LEU 77 -11.172 7.808 5.099 501 HA LEU 77 HA LEU 77 -10.351 8.969 2.840 502 1HB LEU 77 1HB LEU 77 -11.354 9.999 5.434 503 2HB LEU 77 2HB LEU 77 -10.745 11.182 4.261 504 HG LEU 77 HG LEU 77 -13.312 10.240 4.420 505 1HD1 LEU 77 1HD1 LEU 77 -12.754 12.275 3.320 506 2HD1 LEU 77 2HD1 LEU 77 -11.814 11.422 2.072 507 3HD1 LEU 77 3HD1 LEU 77 -13.584 11.244 2.130 508 1HD2 LEU 77 1HD2 LEU 77 -12.432 8.011 3.577 509 2HD2 LEU 77 2HD2 LEU 77 -13.795 8.722 2.681 510 3HD2 LEU 77 3HD2 LEU 77 -12.145 8.824 2.020 511 H PHE 78 H PHE 78 -8.861 9.697 6.078 512 HA PHE 78 HA PHE 78 -6.305 9.397 5.619 513 1HB PHE 78 1HB PHE 78 -6.070 10.621 3.621 514 2HB PHE 78 2HB PHE 78 -7.426 11.690 4.001 515 HD1 PHE 78 1HD PHE 78 -7.073 13.699 5.322 516 HD2 PHE 78 2HD PHE 78 -3.834 11.121 4.387 517 HE1 PHE 78 1HE PHE 78 -5.451 15.492 5.997 518 HE2 PHE 78 2HE PHE 78 -2.213 12.914 5.061 519 HZ PHE 78 HZ PHE 78 -3.041 15.079 5.858 520 H ASP 79 H ASP 79 -8.893 11.441 6.791 521 HA ASP 79 HA ASP 79 -7.117 12.690 8.697 522 1HB ASP 79 1HB ASP 79 -9.400 13.542 7.347 523 2HB ASP 79 2HB ASP 79 -10.022 13.189 8.965 524 HD2 ASP 79 HD2 ASP 79 -7.287 15.705 9.792 525 H GLY 80 H GLY 80 -9.649 10.221 8.308 526 1HA GLY 80 1HA GLY 80 -9.155 8.647 10.405 527 2HA GLY 80 2HA GLY 80 -10.090 9.920 11.166 528 H THR 81 H THR 81 -11.530 10.373 8.440 529 HA THR 81 HA THR 81 -13.777 8.790 9.019 530 HB THR 81 HB THR 81 -12.862 10.600 6.753 531 HG1 THR 81 1HG THR 81 -13.707 11.286 8.935 532 1HG2 THR 81 1HG2 THR 81 -15.646 9.372 6.969 533 2HG2 THR 81 2HG2 THR 81 -14.986 10.363 5.647 534 3HG2 THR 81 3HG2 THR 81 -14.412 8.695 5.880 535 H ARG 82 H ARG 82 -14.549 6.868 8.279 536 HA ARG 82 HA ARG 82 -12.621 5.147 7.176 537 1HB ARG 82 1HB ARG 82 -14.427 3.455 7.262 538 2HB ARG 82 2HB ARG 82 -14.379 4.380 8.771 539 1HG ARG 82 1HG ARG 82 -16.120 5.548 6.684 540 2HG ARG 82 2HG ARG 82 -16.642 3.944 7.228 541 1HD ARG 82 1HD ARG 82 -17.474 4.852 9.119 542 2HD ARG 82 2HD ARG 82 -15.883 5.504 9.542 543 HE ARG 82 HE ARG 82 -16.934 7.209 7.563 544 1HH1 ARG 82 1HH1 ARG 82 -17.827 6.187 10.809 545 2HH1 ARG 82 2HH1 ARG 82 -18.652 7.662 11.185 546 1HH2 ARG 82 1HH2 ARG 82 -18.023 9.157 8.058 547 2HH2 ARG 82 2HH2 ARG 82 -18.764 9.364 9.610 548 H TRP 83 H TRP 83 -13.184 3.713 5.176 549 HA TRP 83 HA TRP 83 -14.193 5.498 3.078 550 1HB TRP 83 1HB TRP 83 -11.965 4.937 2.643 551 2HB TRP 83 2HB TRP 83 -12.200 3.243 3.081 552 HD1 TRP 83 HD TRP 83 -11.228 2.578 0.583 553 HE1 TRP 83 1HE TRP 83 -12.326 2.424 -1.812 554 HE3 TRP 83 3HE TRP 83 -15.325 5.372 1.705 555 HZ2 TRP 83 2HZ TRP 83 -14.731 3.465 -2.943 556 HZ3 TRP 83 3HZ TRP 83 -17.000 5.756 -0.102 557 HH2 TRP 83 HH TRP 83 -16.753 4.854 -2.360 558 H GLY 84 H GLY 84 -13.820 1.921 3.060 559 1HA GLY 84 1HA GLY 84 -16.314 1.048 3.708 560 2HA GLY 84 2HA GLY 84 -16.499 1.606 2.057 561 H THR 85 H THR 85 -16.431 -1.184 3.408 562 HA THR 85 HA THR 85 -14.083 -2.459 2.443 563 HB THR 85 HB THR 85 -15.679 -3.161 4.358 564 HG1 THR 85 1HG THR 85 -15.108 -5.346 3.804 565 1HG2 THR 85 1HG2 THR 85 -17.703 -4.215 3.878 566 2HG2 THR 85 2HG2 THR 85 -17.691 -3.058 2.525 567 3HG2 THR 85 3HG2 THR 85 -17.160 -4.736 2.265 568 H VAL 86 H VAL 86 -14.086 -1.401 0.265 569 HA VAL 86 HA VAL 86 -15.898 -2.843 -1.542 570 HB VAL 86 HB VAL 86 -16.076 -0.377 -1.493 571 1HG1 VAL 86 1HG1 VAL 86 -13.146 -0.588 -2.044 572 2HG1 VAL 86 2HG1 VAL 86 -14.052 0.723 -2.837 573 3HG1 VAL 86 3HG1 VAL 86 -14.046 0.592 -1.063 574 1HG2 VAL 86 1HG2 VAL 86 -16.147 -0.078 -3.869 575 2HG2 VAL 86 2HG2 VAL 86 -14.937 -1.357 -4.127 576 3HG2 VAL 86 3HG2 VAL 86 -16.561 -1.776 -3.533 577 H ASP 87 H ASP 87 -14.885 -3.389 -3.722 578 HA ASP 87 HA ASP 87 -12.512 -4.822 -3.181 579 1HB ASP 87 1HB ASP 87 -14.329 -4.414 -5.554 580 2HB ASP 87 2HB ASP 87 -12.746 -5.162 -5.819 581 HD2 ASP 87 HD2 ASP 87 -14.944 -7.323 -3.342 582 H CYS 88 H CYS 88 -10.574 -3.650 -3.080 583 HA CYS 88 HA CYS 88 -10.067 -1.188 -3.996 584 1HB CYS 88 1HB CYS 88 -8.158 -1.643 -3.040 585 2HB CYS 88 2HB CYS 88 -8.542 -3.373 -3.026 586 H THR 89 H THR 89 -10.165 -4.257 -5.827 587 HA THR 89 HA THR 89 -8.865 -3.541 -8.140 588 HB THR 89 HB THR 89 -11.270 -5.320 -7.531 589 HG1 THR 89 1HG THR 89 -8.549 -5.868 -8.438 590 1HG2 THR 89 1HG2 THR 89 -11.606 -5.363 -9.821 591 2HG2 THR 89 2HG2 THR 89 -10.036 -4.593 -10.156 592 3HG2 THR 89 3HG2 THR 89 -10.118 -6.340 -9.823 593 H THR 90 H THR 90 -11.908 -2.330 -6.863 594 HA THR 90 HA THR 90 -12.834 -1.339 -9.386 595 HB THR 90 HB THR 90 -13.622 -1.163 -6.462 596 HG1 THR 90 1HG THR 90 -15.501 -2.135 -7.516 597 1HG2 THR 90 1HG2 THR 90 -14.016 1.144 -7.420 598 2HG2 THR 90 2HG2 THR 90 -14.914 0.397 -8.762 599 3HG2 THR 90 3HG2 THR 90 -15.535 0.275 -7.098 600 H ALA 91 H ALA 91 -10.563 -0.271 -6.938 601 HA ALA 91 HA ALA 91 -10.355 2.262 -8.412 602 1HB ALA 91 1HB ALA 91 -10.372 3.491 -6.479 603 2HB ALA 91 2HB ALA 91 -11.350 2.122 -5.898 604 3HB ALA 91 3HB ALA 91 -9.612 2.198 -5.522 605 H ALA 92 H ALA 92 -9.018 -0.401 -8.745 606 HA ALA 92 HA ALA 92 -6.947 -1.352 -8.474 607 1HB ALA 92 1HB ALA 92 -6.310 1.216 -9.972 608 2HB ALA 92 2HB ALA 92 -5.541 -0.376 -10.171 609 3HB ALA 92 3HB ALA 92 -7.231 -0.134 -10.676 610 H CYS 93 H CYS 93 -7.193 -0.617 -5.989 611 HA CYS 93 HA CYS 93 -5.872 1.504 -4.958 612 1HB CYS 93 1HB CYS 93 -5.704 0.331 -2.931 613 2HB CYS 93 2HB CYS 93 -7.206 -0.195 -3.713 614 H GLN 94 H GLN 94 -3.660 1.085 -3.538 615 HA GLN 94 HA GLN 94 -1.770 -0.281 -5.267 616 1HB GLN 94 1HB GLN 94 -0.186 1.622 -5.063 617 2HB GLN 94 2HB GLN 94 -1.664 2.077 -5.931 618 1HG GLN 94 1HG GLN 94 -1.911 2.473 -3.034 619 2HG GLN 94 2HG GLN 94 -0.546 3.383 -3.702 620 1HE2 GLN 94 1HE2 GLN 94 -3.974 2.957 -3.566 621 2HE2 GLN 94 2HE2 GLN 94 -4.451 4.367 -4.450 622 H VAL 95 H VAL 95 0.371 -0.683 -4.132 623 HA VAL 95 HA VAL 95 -0.011 -0.753 -1.221 624 HB VAL 95 HB VAL 95 1.418 -2.896 -2.772 625 1HG1 VAL 95 1HG1 VAL 95 1.873 -3.603 -0.703 626 2HG1 VAL 95 2HG1 VAL 95 0.828 -2.352 0.011 627 3HG1 VAL 95 3HG1 VAL 95 0.134 -3.915 -0.482 628 1HG2 VAL 95 1HG2 VAL 95 -0.496 -3.623 -3.657 629 2HG2 VAL 95 2HG2 VAL 95 -1.098 -3.911 -2.007 630 3HG2 VAL 95 3HG2 VAL 95 -1.424 -2.359 -2.816 631 H GLY 96 H GLY 96 1.472 0.528 -0.259 632 1HA GLY 96 1HA GLY 96 4.187 0.572 -1.414 633 2HA GLY 96 2HA GLY 96 3.349 2.064 -1.033 634 H LEU 97 H LEU 97 5.432 2.217 0.371 635 HA LEU 97 HA LEU 97 4.950 0.847 2.924 636 1HB LEU 97 1HB LEU 97 7.362 1.460 1.363 637 2HB LEU 97 2HB LEU 97 7.490 1.792 3.099 638 HG LEU 97 HG LEU 97 8.221 -0.353 3.092 639 1HD1 LEU 97 1HD1 LEU 97 6.595 -1.826 3.933 640 2HD1 LEU 97 2HD1 LEU 97 6.005 -0.199 4.346 641 3HD1 LEU 97 3HD1 LEU 97 5.294 -1.080 2.973 642 1HD2 LEU 97 1HD2 LEU 97 6.516 -0.790 0.637 643 2HD2 LEU 97 2HD2 LEU 97 8.290 -0.765 0.769 644 3HD2 LEU 97 3HD2 LEU 97 7.364 -2.111 1.473 645 H SER 98 H SER 98 5.212 2.104 4.893 646 HA SER 98 HA SER 98 5.056 4.968 4.407 647 1HB SER 98 1HB SER 98 3.432 4.695 6.584 648 2HB SER 98 2HB SER 98 2.837 4.785 4.916 649 HG SER 98 HG SER 98 3.486 2.327 6.306 650 H ASP 99 H ASP 99 6.465 6.117 5.701 651 HA ASP 99 HA ASP 99 7.813 4.587 7.747 652 1HB ASP 99 1HB ASP 99 9.093 6.990 7.722 653 2HB ASP 99 2HB ASP 99 9.518 5.655 6.641 654 HD2 ASP 99 HD2 ASP 99 9.205 8.130 4.245 655 H ALA 100 H ALA 100 8.654 6.539 9.541 656 HA ALA 100 HA ALA 100 6.147 7.295 10.787 657 1HB ALA 100 1HB ALA 100 7.356 6.562 12.543 658 2HB ALA 100 2HB ALA 100 8.871 6.610 11.611 659 3HB ALA 100 3HB ALA 100 8.277 8.080 12.421 660 H ALA 101 H ALA 101 6.820 8.680 8.334 661 HA ALA 101 HA ALA 101 6.540 11.333 9.263 662 1HB ALA 101 1HB ALA 101 8.763 11.740 9.548 663 2HB ALA 101 2HB ALA 101 9.249 10.346 8.553 664 3HB ALA 101 3HB ALA 101 8.766 11.871 7.773 665 H GLY 102 H GLY 102 7.803 9.375 6.470 666 1HA GLY 102 1HA GLY 102 6.422 11.017 4.557 667 2HA GLY 102 2HA GLY 102 7.331 9.550 4.257 668 H ASN 103 H ASN 103 5.518 8.432 6.679 669 HA ASN 103 HA ASN 103 4.001 6.752 5.377 670 1HB ASN 103 1HB ASN 103 2.211 7.394 7.360 671 2HB ASN 103 2HB ASN 103 3.675 6.440 7.645 672 1HD2 ASN 103 1HD2 ASN 103 3.668 7.178 9.794 673 2HD2 ASN 103 2HD2 ASN 103 4.240 8.753 10.230 674 H GLY 104 H GLY 104 1.594 6.693 4.829 675 1HA GLY 104 1HA GLY 104 -0.417 8.092 4.605 676 2HA GLY 104 2HA GLY 104 0.621 9.356 3.976 677 HA PRO 105 HA PRO 105 -0.537 7.439 0.175 678 1HB PRO 105 1HB PRO 105 0.081 9.555 -1.437 679 2HB PRO 105 2HB PRO 105 -1.487 9.362 -0.660 680 1HG PRO 105 1HG PRO 105 0.769 11.134 0.032 681 2HG PRO 105 2HG PRO 105 -0.962 11.282 0.506 682 1HD PRO 105 1HD PRO 105 1.254 10.408 2.096 683 2HD PRO 105 2HD PRO 105 -0.451 10.384 2.561 684 H GLU 106 H GLU 106 0.645 5.814 -0.589 685 HA GLU 106 HA GLU 106 3.449 6.474 -0.965 686 1HB GLU 106 1HB GLU 106 2.165 3.721 -0.978 687 2HB GLU 106 2HB GLU 106 3.890 4.095 -0.828 688 1HG GLU 106 1HG GLU 106 1.660 4.529 1.182 689 2HG GLU 106 2HG GLU 106 3.162 3.617 1.396 690 HE2 GLU 106 HE2 GLU 106 3.222 7.178 2.680 691 H GLY 107 H GLY 107 1.072 4.223 -2.560 692 1HA GLY 107 1HA GLY 107 0.397 4.853 -4.851 693 2HA GLY 107 2HA GLY 107 2.086 5.202 -5.163 694 H VAL 108 H VAL 108 2.001 3.603 -6.920 695 HA VAL 108 HA VAL 108 2.739 1.626 -7.656 696 HB VAL 108 HB VAL 108 2.440 0.532 -4.857 697 1HG1 VAL 108 1HG1 VAL 108 4.501 -0.390 -6.822 698 2HG1 VAL 108 2HG1 VAL 108 3.660 -1.291 -5.537 699 3HG1 VAL 108 3HG1 VAL 108 2.814 -0.908 -7.057 700 1HG2 VAL 108 1HG2 VAL 108 4.503 1.333 -4.235 701 2HG2 VAL 108 2HG2 VAL 108 5.083 1.469 -5.913 702 3HG2 VAL 108 3HG2 VAL 108 3.944 2.674 -5.264 703 H ALA 109 H ALA 109 0.530 2.043 -8.652 704 HA ALA 109 HA ALA 109 -1.748 0.797 -7.588 705 1HB ALA 109 1HB ALA 109 -2.175 2.461 -9.167 706 2HB ALA 109 2HB ALA 109 -0.896 1.893 -10.266 707 3HB ALA 109 3HB ALA 109 -2.419 0.983 -10.128 708 H ILE 110 H ILE 110 -1.959 -1.348 -7.198 709 HA ILE 110 HA ILE 110 -0.589 -3.173 -9.037 710 HB ILE 110 HB ILE 110 -1.428 -3.360 -6.162 711 1HG1 ILE 110 1HG1 ILE 110 1.105 -4.462 -6.607 712 2HG1 ILE 110 2HG1 ILE 110 1.049 -3.010 -7.622 713 1HG2 ILE 110 1HG2 ILE 110 -1.278 -5.550 -8.145 714 2HG2 ILE 110 2HG2 ILE 110 -0.404 -5.823 -6.618 715 3HG2 ILE 110 3HG2 ILE 110 -2.146 -5.451 -6.594 716 1HD1 ILE 110 1HD1 ILE 110 -0.137 -2.165 -5.244 717 2HD1 ILE 110 2HD1 ILE 110 1.143 -3.269 -4.685 718 3HD1 ILE 110 3HD1 ILE 110 1.556 -1.877 -5.714 719 H SER 111 H SER 111 -1.724 -4.888 -10.038 720 HA SER 111 HA SER 111 -4.511 -4.280 -10.353 721 1HB SER 111 1HB SER 111 -2.473 -5.287 -12.012 722 2HB SER 111 2HB SER 111 -3.579 -6.652 -11.789 723 HG SER 111 HG SER 111 -4.042 -4.086 -12.975 724 H PHE 112 H PHE 112 -5.755 -5.053 -8.650 725 HA PHE 112 HA PHE 112 -5.123 -7.665 -7.563 726 1HB PHE 112 1HB PHE 112 -7.261 -5.545 -6.950 727 2HB PHE 112 2HB PHE 112 -6.927 -6.947 -5.929 728 HD1 PHE 112 1HD PHE 112 -5.406 -3.838 -7.277 729 HD2 PHE 112 2HD PHE 112 -5.294 -6.817 -4.257 730 HE1 PHE 112 1HE PHE 112 -3.704 -2.493 -6.014 731 HE2 PHE 112 2HE PHE 112 -3.593 -5.472 -2.993 732 HZ PHE 112 HZ PHE 112 -2.818 -3.326 -3.887 733 H ASN 113 H ASN 113 -6.379 -9.506 -7.806 734 HA ASN 113 HA ASN 113 -7.818 -10.865 -8.688 735 1HB ASN 113 1HB ASN 113 -9.404 -9.254 -7.390 736 2HB ASN 113 2HB ASN 113 -9.825 -8.583 -8.972 737 1HD2 ASN 113 1HD2 ASN 113 -11.942 -9.260 -8.815 738 2HD2 ASN 113 2HD2 ASN 113 -12.432 -10.912 -8.983 Start of MODEL 21 1 H ALA 1 H ALA 1 8.472 13.826 -5.025 2 HA ALA 1 HA ALA 1 8.081 11.527 -3.242 3 1HB ALA 1 1HB ALA 1 6.553 10.770 -5.283 4 2HB ALA 1 2HB ALA 1 5.901 11.789 -3.978 5 3HB ALA 1 3HB ALA 1 6.395 12.527 -5.521 6 H ALA 2 H ALA 2 10.522 11.537 -3.656 7 HA ALA 2 HA ALA 2 11.274 10.783 -6.343 8 1HB ALA 2 1HB ALA 2 13.164 11.775 -5.643 9 2HB ALA 2 2HB ALA 2 12.530 11.883 -3.983 10 3HB ALA 2 3HB ALA 2 13.413 10.428 -4.507 11 HA PRO 3 HA PRO 3 12.031 6.739 -4.043 12 1HB PRO 3 1HB PRO 3 11.501 6.519 -1.371 13 2HB PRO 3 2HB PRO 3 13.102 6.891 -2.011 14 1HG PRO 3 1HG PRO 3 11.103 8.658 -0.751 15 2HG PRO 3 2HG PRO 3 12.873 8.928 -0.951 16 1HD PRO 3 1HD PRO 3 10.716 10.109 -2.417 17 2HD PRO 3 2HD PRO 3 12.443 10.281 -2.758 18 H THR 4 H THR 4 10.798 4.770 -3.435 19 HA THR 4 HA THR 4 8.154 4.917 -2.654 20 HB THR 4 HB THR 4 7.445 4.414 -5.295 21 HG1 THR 4 1HG THR 4 9.063 5.385 -6.447 22 1HG2 THR 4 1HG2 THR 4 6.008 6.108 -4.771 23 2HG2 THR 4 2HG2 THR 4 7.002 6.506 -3.349 24 3HG2 THR 4 3HG2 THR 4 7.344 7.276 -4.917 25 H ALA 5 H ALA 5 7.047 2.857 -2.800 26 HA ALA 5 HA ALA 5 8.998 0.712 -3.233 27 1HB ALA 5 1HB ALA 5 8.119 -0.297 -1.394 28 2HB ALA 5 2HB ALA 5 7.501 1.330 -1.020 29 3HB ALA 5 3HB ALA 5 6.449 0.142 -1.828 30 H THR 6 H THR 6 7.952 -1.425 -3.993 31 HA THR 6 HA THR 6 5.593 -1.101 -5.624 32 HB THR 6 HB THR 6 6.653 -1.304 -7.737 33 HG1 THR 6 1HG THR 6 8.109 -2.997 -7.420 34 1HG2 THR 6 1HG2 THR 6 8.723 0.168 -6.023 35 2HG2 THR 6 2HG2 THR 6 8.623 0.235 -7.799 36 3HG2 THR 6 3HG2 THR 6 7.315 0.922 -6.807 37 H VAL 7 H VAL 7 4.885 -3.173 -6.587 38 HA VAL 7 HA VAL 7 5.769 -5.351 -4.838 39 HB VAL 7 HB VAL 7 3.328 -4.398 -5.047 40 1HG1 VAL 7 1HG1 VAL 7 1.947 -5.534 -6.679 41 2HG1 VAL 7 2HG1 VAL 7 3.252 -4.665 -7.523 42 3HG1 VAL 7 3HG1 VAL 7 3.354 -6.429 -7.303 43 1HG2 VAL 7 1HG2 VAL 7 2.629 -7.018 -4.897 44 2HG2 VAL 7 2HG2 VAL 7 4.382 -7.134 -4.612 45 3HG2 VAL 7 3HG2 VAL 7 3.375 -6.107 -3.563 46 H THR 8 H THR 8 6.696 -7.187 -5.676 47 HA THR 8 HA THR 8 8.049 -7.258 -7.964 48 HB THR 8 HB THR 8 6.817 -9.254 -6.133 49 HG1 THR 8 1HG THR 8 9.032 -8.442 -6.049 50 1HG2 THR 8 1HG2 THR 8 7.977 -10.169 -8.810 51 2HG2 THR 8 2HG2 THR 8 7.313 -11.190 -7.511 52 3HG2 THR 8 3HG2 THR 8 6.228 -10.162 -8.477 53 HA PRO 9 HA PRO 9 4.458 -8.774 -10.558 54 1HB PRO 9 1HB PRO 9 1.983 -9.166 -9.468 55 2HB PRO 9 2HB PRO 9 3.166 -10.458 -9.663 56 1HG PRO 9 1HG PRO 9 2.365 -8.969 -7.246 57 2HG PRO 9 2HG PRO 9 3.187 -10.567 -7.359 58 1HD PRO 9 1HD PRO 9 4.317 -8.029 -6.666 59 2HD PRO 9 2HD PRO 9 5.196 -9.542 -6.920 60 H SER 10 H SER 10 1.945 -7.365 -8.604 61 HA SER 10 HA SER 10 1.167 -5.291 -8.577 62 1HB SER 10 1HB SER 10 2.270 -3.486 -9.462 63 2HB SER 10 2HB SER 10 3.597 -4.660 -9.550 64 HG SER 10 HG SER 10 1.783 -3.879 -11.669 65 H SER 11 H SER 11 0.490 -7.730 -10.296 66 HA SER 11 HA SER 11 -1.697 -6.578 -11.589 67 1HB SER 11 1HB SER 11 -1.203 -6.847 -13.879 68 2HB SER 11 2HB SER 11 0.251 -6.077 -13.219 69 HG SER 11 HG SER 11 -0.163 -8.769 -14.109 70 H GLY 12 H GLY 12 -3.290 -8.172 -11.832 71 1HA GLY 12 1HA GLY 12 -4.245 -10.212 -11.838 72 2HA GLY 12 2HA GLY 12 -2.707 -10.903 -12.315 73 H LEU 13 H LEU 13 -3.323 -8.931 -9.362 74 HA LEU 13 HA LEU 13 -2.131 -10.982 -7.761 75 1HB LEU 13 1HB LEU 13 -3.459 -8.410 -6.929 76 2HB LEU 13 2HB LEU 13 -2.365 -9.409 -5.956 77 HG LEU 13 HG LEU 13 -1.794 -7.419 -8.075 78 1HD1 LEU 13 1HD1 LEU 13 0.358 -7.327 -6.625 79 2HD1 LEU 13 2HD1 LEU 13 -1.174 -6.718 -5.955 80 3HD1 LEU 13 3HD1 LEU 13 -0.573 -8.324 -5.481 81 1HD2 LEU 13 1HD2 LEU 13 -0.934 -9.159 -9.354 82 2HD2 LEU 13 2HD2 LEU 13 0.484 -8.586 -8.442 83 3HD2 LEU 13 3HD2 LEU 13 -0.366 -10.065 -7.931 84 H SER 14 H SER 14 -4.024 -10.207 -5.454 85 HA SER 14 HA SER 14 -6.532 -11.234 -6.213 86 1HB SER 14 1HB SER 14 -4.900 -13.279 -6.099 87 2HB SER 14 2HB SER 14 -5.024 -13.078 -4.342 88 HG SER 14 HG SER 14 -6.862 -14.149 -4.472 89 H ASP 15 H ASP 15 -7.978 -11.487 -4.202 90 HA ASP 15 HA ASP 15 -7.753 -9.283 -2.628 91 1HB ASP 15 1HB ASP 15 -9.432 -10.422 -1.147 92 2HB ASP 15 2HB ASP 15 -9.856 -10.491 -2.864 93 HD2 ASP 15 HD2 ASP 15 -9.484 -13.809 -0.849 94 H GLY 16 H GLY 16 -5.584 -9.166 -1.703 95 1HA GLY 16 1HA GLY 16 -4.452 -9.330 0.330 96 2HA GLY 16 2HA GLY 16 -5.235 -10.862 0.663 97 H THR 17 H THR 17 -3.561 -9.790 -2.364 98 HA THR 17 HA THR 17 -2.104 -12.250 -2.465 99 HB THR 17 HB THR 17 -2.467 -9.754 -4.125 100 HG1 THR 17 1HG THR 17 -2.672 -11.741 -5.635 101 1HG2 THR 17 1HG2 THR 17 -0.059 -9.993 -4.370 102 2HG2 THR 17 2HG2 THR 17 -0.180 -11.769 -4.381 103 3HG2 THR 17 3HG2 THR 17 -0.790 -10.826 -5.763 104 H VAL 18 H VAL 18 -0.860 -12.405 -0.574 105 HA VAL 18 HA VAL 18 0.934 -10.282 0.099 106 HB VAL 18 HB VAL 18 1.032 -13.123 1.092 107 1HG1 VAL 18 1HG1 VAL 18 1.812 -12.089 3.158 108 2HG1 VAL 18 2HG1 VAL 18 2.823 -11.567 1.790 109 3HG1 VAL 18 3HG1 VAL 18 1.591 -10.468 2.458 110 1HG2 VAL 18 1HG2 VAL 18 -0.578 -12.218 2.908 111 2HG2 VAL 18 2HG2 VAL 18 -1.010 -10.986 1.698 112 3HG2 VAL 18 3HG2 VAL 18 -1.257 -12.713 1.340 113 H VAL 19 H VAL 19 2.136 -9.942 -1.860 114 HA VAL 19 HA VAL 19 3.916 -12.177 -2.539 115 HB VAL 19 HB VAL 19 4.235 -10.907 -4.669 116 1HG1 VAL 19 1HG1 VAL 19 2.843 -12.681 -5.042 117 2HG1 VAL 19 2HG1 VAL 19 1.677 -12.176 -3.796 118 3HG1 VAL 19 3HG1 VAL 19 1.698 -11.361 -5.378 119 1HG2 VAL 19 1HG2 VAL 19 3.401 -8.713 -3.617 120 2HG2 VAL 19 2HG2 VAL 19 2.872 -9.086 -5.276 121 3HG2 VAL 19 3HG2 VAL 19 1.762 -9.344 -3.908 122 H LYS 20 H LYS 20 6.133 -11.264 -3.443 123 HA LYS 20 HA LYS 20 7.317 -9.906 -1.256 124 1HB LYS 20 1HB LYS 20 8.346 -11.710 -2.683 125 2HB LYS 20 2HB LYS 20 8.561 -10.492 -3.953 126 1HG LYS 20 1HG LYS 20 10.015 -9.184 -2.566 127 2HG LYS 20 2HG LYS 20 9.586 -10.099 -1.110 128 1HD LYS 20 1HD LYS 20 11.245 -11.564 -1.517 129 2HD LYS 20 2HD LYS 20 10.581 -11.931 -3.119 130 1HE LYS 20 1HE LYS 20 12.457 -10.975 -3.949 131 2HE LYS 20 2HE LYS 20 11.766 -9.419 -3.466 132 1HZ LYS 20 1HZ LYS 20 13.685 -11.085 -2.023 133 2HZ LYS 20 2HZ LYS 20 13.821 -9.516 -2.452 134 3HZ LYS 20 3HZ LYS 20 12.812 -9.947 -1.243 135 H VAL 21 H VAL 21 8.268 -7.813 -1.183 136 HA VAL 21 HA VAL 21 7.609 -6.051 -3.411 137 HB VAL 21 HB VAL 21 6.420 -6.026 -0.711 138 1HG1 VAL 21 1HG1 VAL 21 7.486 -3.490 -1.990 139 2HG1 VAL 21 2HG1 VAL 21 6.229 -3.516 -0.729 140 3HG1 VAL 21 3HG1 VAL 21 7.859 -4.137 -0.373 141 1HG2 VAL 21 1HG2 VAL 21 5.348 -6.245 -3.108 142 2HG2 VAL 21 2HG2 VAL 21 4.517 -5.337 -1.823 143 3HG2 VAL 21 3HG2 VAL 21 5.431 -4.468 -3.079 144 H ALA 22 H ALA 22 8.997 -4.201 -3.555 145 HA ALA 22 HA ALA 22 11.128 -4.051 -1.577 146 1HB ALA 22 1HB ALA 22 12.165 -3.899 -4.314 147 2HB ALA 22 2HB ALA 22 12.761 -4.834 -2.921 148 3HB ALA 22 3HB ALA 22 11.462 -5.493 -3.945 149 H GLY 23 H GLY 23 12.215 -1.976 -1.593 150 1HA GLY 23 1HA GLY 23 12.527 0.177 -2.521 151 2HA GLY 23 2HA GLY 23 10.979 0.055 -3.332 152 H ALA 24 H ALA 24 10.892 2.311 -2.182 153 HA ALA 24 HA ALA 24 8.940 2.665 -0.569 154 1HB ALA 24 1HB ALA 24 9.923 2.521 1.833 155 2HB ALA 24 2HB ALA 24 9.405 1.012 1.045 156 3HB ALA 24 3HB ALA 24 11.133 1.432 1.114 157 H GLY 25 H GLY 25 10.136 4.171 1.714 158 1HA GLY 25 1HA GLY 25 10.667 6.591 0.376 159 2HA GLY 25 2HA GLY 25 10.867 6.264 2.086 160 H LEU 26 H LEU 26 12.633 3.849 0.635 161 HA LEU 26 HA LEU 26 14.823 3.474 0.613 162 1HB LEU 26 1HB LEU 26 14.540 4.204 -1.606 163 2HB LEU 26 2HB LEU 26 14.584 5.915 -1.139 164 HG LEU 26 HG LEU 26 17.030 4.876 -0.273 165 1HD1 LEU 26 1HD1 LEU 26 16.905 2.854 -1.462 166 2HD1 LEU 26 2HD1 LEU 26 16.211 3.639 -2.901 167 3HD1 LEU 26 3HD1 LEU 26 17.914 3.920 -2.469 168 1HD2 LEU 26 1HD2 LEU 26 17.676 6.104 -2.609 169 2HD2 LEU 26 2HD2 LEU 26 16.037 6.741 -2.333 170 3HD2 LEU 26 3HD2 LEU 26 17.296 6.951 -1.092 171 H GLN 27 H GLN 27 14.433 4.208 3.062 172 HA GLN 27 HA GLN 27 15.765 6.648 3.686 173 1HB GLN 27 1HB GLN 27 14.292 4.516 5.159 174 2HB GLN 27 2HB GLN 27 15.508 5.404 6.095 175 1HG GLN 27 1HG GLN 27 13.773 7.105 4.395 176 2HG GLN 27 2HG GLN 27 12.900 6.235 5.665 177 1HE2 GLN 27 1HE2 GLN 27 13.404 9.076 5.358 178 2HE2 GLN 27 2HE2 GLN 27 14.257 9.615 6.765 179 H ALA 28 H ALA 28 16.430 3.756 5.634 180 HA ALA 28 HA ALA 28 18.739 2.810 4.581 181 1HB ALA 28 1HB ALA 28 20.238 4.484 4.684 182 2HB ALA 28 2HB ALA 28 19.089 5.532 5.549 183 3HB ALA 28 3HB ALA 28 20.119 4.399 6.457 184 H GLY 29 H GLY 29 18.244 0.896 5.592 185 1HA GLY 29 1HA GLY 29 17.810 -0.570 7.251 186 2HA GLY 29 2HA GLY 29 19.054 0.306 8.119 187 H THR 30 H THR 30 16.083 1.974 7.121 188 HA THR 30 HA THR 30 15.374 2.220 9.953 189 HB THR 30 HB THR 30 14.533 3.806 7.468 190 HG1 THR 30 1HG THR 30 16.642 4.418 7.906 191 1HG2 THR 30 1HG2 THR 30 12.876 4.168 9.220 192 2HG2 THR 30 2HG2 THR 30 14.139 4.229 10.473 193 3HG2 THR 30 3HG2 THR 30 14.002 5.546 9.284 194 H ALA 31 H ALA 31 12.954 2.361 10.419 195 HA ALA 31 HA ALA 31 11.816 -0.089 9.457 196 1HB ALA 31 1HB ALA 31 10.215 1.792 11.119 197 2HB ALA 31 2HB ALA 31 10.523 0.052 11.334 198 3HB ALA 31 3HB ALA 31 11.752 1.242 11.828 199 H TYR 32 H TYR 32 9.840 -0.316 8.280 200 HA TYR 32 HA TYR 32 8.706 2.121 7.164 201 1HB TYR 32 1HB TYR 32 10.311 -0.066 5.824 202 2HB TYR 32 2HB TYR 32 8.886 0.493 4.942 203 HD1 TYR 32 1HD TYR 32 12.235 0.796 4.888 204 HD2 TYR 32 2HD TYR 32 8.814 3.336 5.276 205 HE1 TYR 32 1HE TYR 32 13.577 2.755 3.981 206 HE2 TYR 32 2HE TYR 32 10.167 5.286 4.367 207 HH TYR 32 HH TYR 32 12.080 5.964 3.642 208 H ASP 33 H ASP 33 6.963 1.391 8.656 209 HA ASP 33 HA ASP 33 5.785 -1.055 8.531 210 1HB ASP 33 1HB ASP 33 5.310 1.350 9.806 211 2HB ASP 33 2HB ASP 33 3.889 1.226 8.756 212 HD2 ASP 33 HD2 ASP 33 4.261 -1.273 11.820 213 H VAL 34 H VAL 34 4.159 -1.988 7.168 214 HA VAL 34 HA VAL 34 4.040 -1.141 4.530 215 HB VAL 34 HB VAL 34 2.362 -2.992 6.212 216 1HG1 VAL 34 1HG1 VAL 34 2.136 -2.585 3.211 217 2HG1 VAL 34 2HG1 VAL 34 1.280 -3.805 4.183 218 3HG1 VAL 34 3HG1 VAL 34 0.932 -2.076 4.418 219 1HG2 VAL 34 1HG2 VAL 34 3.496 -4.638 4.535 220 2HG2 VAL 34 2HG2 VAL 34 4.628 -3.295 4.251 221 3HG2 VAL 34 3HG2 VAL 34 4.445 -3.974 5.887 222 H GLY 35 H GLY 35 2.089 -0.412 3.296 223 1HA GLY 35 1HA GLY 35 0.472 1.458 4.925 224 2HA GLY 35 2HA GLY 35 1.118 1.850 3.343 225 H GLN 36 H GLN 36 0.244 0.826 1.423 226 HA GLN 36 HA GLN 36 -1.257 -0.158 0.188 227 1HB GLN 36 1HB GLN 36 -1.183 -2.202 1.380 228 2HB GLN 36 2HB GLN 36 -2.012 -1.524 2.791 229 1HG GLN 36 1HG GLN 36 -3.882 -2.454 1.907 230 2HG GLN 36 2HG GLN 36 -3.858 -1.108 0.756 231 1HE2 GLN 36 1HE2 GLN 36 -3.682 -1.532 -1.321 232 2HE2 GLN 36 2HE2 GLN 36 -3.258 -3.051 -2.038 233 H CYS 37 H CYS 37 -2.509 1.486 -0.619 234 HA CYS 37 HA CYS 37 -4.716 2.366 1.099 235 1HB CYS 37 1HB CYS 37 -3.333 4.061 -0.969 236 2HB CYS 37 2HB CYS 37 -4.562 4.572 0.204 237 H ALA 38 H ALA 38 -6.358 3.624 -0.635 238 HA ALA 38 HA ALA 38 -6.528 2.058 -3.079 239 1HB ALA 38 1HB ALA 38 -7.809 1.034 -0.970 240 2HB ALA 38 2HB ALA 38 -9.019 2.259 -1.418 241 3HB ALA 38 3HB ALA 38 -8.530 1.018 -2.596 242 H TRP 39 H TRP 39 -6.286 3.842 -4.404 243 HA TRP 39 HA TRP 39 -7.337 6.367 -3.813 244 1HB TRP 39 1HB TRP 39 -5.781 5.129 -5.847 245 2HB TRP 39 2HB TRP 39 -7.082 6.032 -6.627 246 HD1 TRP 39 HD TRP 39 -7.260 8.727 -5.353 247 HE1 TRP 39 1HE TRP 39 -5.309 10.473 -5.020 248 HE3 TRP 39 3HE TRP 39 -3.475 5.346 -5.666 249 HZ2 TRP 39 2HZ TRP 39 -2.466 10.249 -4.928 250 HZ3 TRP 39 3HZ TRP 39 -1.140 6.193 -5.445 251 HH2 TRP 39 HH TRP 39 -0.607 8.551 -5.088 252 H VAL 40 H VAL 40 -9.226 7.439 -4.678 253 HA VAL 40 HA VAL 40 -11.203 5.632 -5.866 254 HB VAL 40 HB VAL 40 -11.804 7.625 -3.678 255 1HG1 VAL 40 1HG1 VAL 40 -13.431 6.169 -5.526 256 2HG1 VAL 40 2HG1 VAL 40 -13.723 5.526 -3.892 257 3HG1 VAL 40 3HG1 VAL 40 -13.936 7.263 -4.215 258 1HG2 VAL 40 1HG2 VAL 40 -10.819 6.155 -2.286 259 2HG2 VAL 40 2HG2 VAL 40 -12.264 5.155 -2.571 260 3HG2 VAL 40 3HG2 VAL 40 -10.781 4.867 -3.514 261 H ASP 41 H ASP 41 -12.699 8.503 -5.073 262 HA ASP 41 HA ASP 41 -12.918 9.328 -7.666 263 1HB ASP 41 1HB ASP 41 -13.718 10.223 -5.038 264 2HB ASP 41 2HB ASP 41 -13.173 11.630 -5.965 265 HD2 ASP 41 HD2 ASP 41 -16.154 9.745 -7.768 266 H THR 42 H THR 42 -12.311 11.892 -8.168 267 HA THR 42 HA THR 42 -9.486 11.940 -8.373 268 HB THR 42 HB THR 42 -11.645 14.053 -8.895 269 HG1 THR 42 1HG THR 42 -10.249 11.940 -10.369 270 1HG2 THR 42 1HG2 THR 42 -9.592 15.260 -9.047 271 2HG2 THR 42 2HG2 THR 42 -8.696 13.832 -9.615 272 3HG2 THR 42 3HG2 THR 42 -9.830 14.663 -10.706 273 H GLY 43 H GLY 43 -8.524 11.827 -6.337 274 1HA GLY 43 1HA GLY 43 -7.353 13.431 -4.946 275 2HA GLY 43 2HA GLY 43 -8.865 14.291 -4.733 276 H VAL 44 H VAL 44 -10.245 11.457 -4.683 277 HA VAL 44 HA VAL 44 -10.128 11.236 -1.829 278 HB VAL 44 HB VAL 44 -11.601 9.587 -3.893 279 1HG1 VAL 44 1HG1 VAL 44 -11.231 8.875 -1.333 280 2HG1 VAL 44 2HG1 VAL 44 -12.622 9.963 -1.116 281 3HG1 VAL 44 3HG1 VAL 44 -12.749 8.563 -2.208 282 1HG2 VAL 44 1HG2 VAL 44 -12.375 12.128 -2.432 283 2HG2 VAL 44 2HG2 VAL 44 -12.294 11.849 -4.188 284 3HG2 VAL 44 3HG2 VAL 44 -13.556 11.053 -3.217 285 H LEU 45 H LEU 45 -8.807 9.930 -0.669 286 HA LEU 45 HA LEU 45 -7.747 7.562 -2.018 287 1HB LEU 45 1HB LEU 45 -6.216 9.677 -1.966 288 2HB LEU 45 2HB LEU 45 -5.945 9.197 -0.282 289 HG LEU 45 HG LEU 45 -5.468 7.410 -2.681 290 1HD1 LEU 45 1HD1 LEU 45 -3.986 9.373 -2.735 291 2HD1 LEU 45 2HD1 LEU 45 -3.438 8.995 -1.084 292 3HD1 LEU 45 3HD1 LEU 45 -3.097 7.865 -2.416 293 1HD2 LEU 45 1HD2 LEU 45 -3.917 6.588 -0.498 294 2HD2 LEU 45 2HD2 LEU 45 -5.529 6.936 0.172 295 3HD2 LEU 45 3HD2 LEU 45 -5.354 5.784 -1.174 296 H ALA 46 H ALA 46 -8.055 5.761 -0.818 297 HA ALA 46 HA ALA 46 -8.675 6.189 2.022 298 1HB ALA 46 1HB ALA 46 -10.318 4.599 1.844 299 2HB ALA 46 2HB ALA 46 -10.306 5.135 0.148 300 3HB ALA 46 3HB ALA 46 -9.429 3.660 0.621 301 H CYS 47 H CYS 47 -6.594 6.059 2.908 302 HA CYS 47 HA CYS 47 -4.793 4.037 2.053 303 1HB CYS 47 1HB CYS 47 -4.778 6.330 3.819 304 2HB CYS 47 2HB CYS 47 -3.916 4.952 4.530 305 H ASN 48 H ASN 48 -3.990 2.272 3.513 306 HA ASN 48 HA ASN 48 -6.155 1.381 5.251 307 1HB ASN 48 1HB ASN 48 -5.521 0.031 3.114 308 2HB ASN 48 2HB ASN 48 -4.049 -0.428 3.985 309 1HD2 ASN 48 1HD2 ASN 48 -5.750 -2.344 3.153 310 2HD2 ASN 48 2HD2 ASN 48 -6.596 -3.072 4.478 311 HA PRO 49 HA PRO 49 -2.463 2.015 7.839 312 1HB PRO 49 1HB PRO 49 -3.716 3.266 9.919 313 2HB PRO 49 2HB PRO 49 -2.961 4.135 8.584 314 1HG PRO 49 1HG PRO 49 -5.811 3.600 9.130 315 2HG PRO 49 2HG PRO 49 -5.088 4.863 8.069 316 1HD PRO 49 1HD PRO 49 -6.371 2.418 7.307 317 2HD PRO 49 2HD PRO 49 -5.535 3.551 6.235 318 H ALA 50 H ALA 50 -4.159 -0.327 7.483 319 HA ALA 50 HA ALA 50 -3.931 -1.291 10.252 320 1HB ALA 50 1HB ALA 50 -6.158 -1.624 10.156 321 2HB ALA 50 2HB ALA 50 -6.209 -1.233 8.421 322 3HB ALA 50 3HB ALA 50 -5.828 -2.890 8.948 323 H ASP 51 H ASP 51 -2.564 -1.314 7.235 324 HA ASP 51 HA ASP 51 -2.329 -3.739 6.279 325 1HB ASP 51 1HB ASP 51 0.183 -3.227 5.974 326 2HB ASP 51 2HB ASP 51 -0.963 -2.046 5.321 327 HD2 ASP 51 HD2 ASP 51 1.528 -0.973 8.183 328 H PHE 52 H PHE 52 -0.845 -2.508 9.328 329 HA PHE 52 HA PHE 52 0.002 -3.528 11.090 330 1HB PHE 52 1HB PHE 52 -1.519 -5.725 9.654 331 2HB PHE 52 2HB PHE 52 -0.461 -6.216 10.982 332 HD1 PHE 52 1HD PHE 52 -0.858 -3.955 12.855 333 HD2 PHE 52 2HD PHE 52 -3.659 -6.076 10.474 334 HE1 PHE 52 1HE PHE 52 -2.678 -3.388 14.489 335 HE2 PHE 52 2HE PHE 52 -5.477 -5.510 12.108 336 HZ PHE 52 HZ PHE 52 -4.966 -4.171 14.096 337 H SER 53 H SER 53 0.853 -4.444 7.867 338 HA SER 53 HA SER 53 2.994 -6.150 8.631 339 1HB SER 53 1HB SER 53 2.081 -4.894 6.034 340 2HB SER 53 2HB SER 53 3.612 -5.781 6.122 341 HG SER 53 HG SER 53 2.502 -7.675 6.629 342 H SER 54 H SER 54 5.324 -5.616 7.939 343 HA SER 54 HA SER 54 5.922 -2.840 7.720 344 1HB SER 54 1HB SER 54 7.461 -2.911 9.757 345 2HB SER 54 2HB SER 54 5.725 -2.823 10.104 346 HG SER 54 HG SER 54 5.863 -5.254 10.275 347 H VAL 55 H VAL 55 8.155 -2.500 7.046 348 HA VAL 55 HA VAL 55 9.692 -4.958 6.649 349 HB VAL 55 HB VAL 55 8.757 -4.806 4.555 350 1HG1 VAL 55 1HG1 VAL 55 8.992 -1.779 4.642 351 2HG1 VAL 55 2HG1 VAL 55 8.255 -2.749 3.343 352 3HG1 VAL 55 3HG1 VAL 55 7.508 -2.711 4.958 353 1HG2 VAL 55 1HG2 VAL 55 10.466 -3.882 3.024 354 2HG2 VAL 55 2HG2 VAL 55 11.224 -3.043 4.398 355 3HG2 VAL 55 3HG2 VAL 55 11.187 -4.822 4.353 356 H THR 56 H THR 56 12.032 -4.406 6.044 357 HA THR 56 HA THR 56 12.793 -1.944 7.474 358 HB THR 56 HB THR 56 13.952 -4.760 7.361 359 HG1 THR 56 1HG THR 56 13.943 -4.051 9.748 360 1HG2 THR 56 1HG2 THR 56 15.986 -3.540 7.155 361 2HG2 THR 56 2HG2 THR 56 15.329 -2.128 8.015 362 3HG2 THR 56 3HG2 THR 56 15.749 -3.602 8.919 363 H ALA 57 H ALA 57 14.598 -0.731 6.698 364 HA ALA 57 HA ALA 57 14.711 -0.803 3.812 365 1HB ALA 57 1HB ALA 57 16.451 1.142 5.084 366 2HB ALA 57 2HB ALA 57 15.002 1.409 4.085 367 3HB ALA 57 3HB ALA 57 14.840 1.165 5.841 368 H ASP 58 H ASP 58 16.749 -0.866 2.612 369 HA ASP 58 HA ASP 58 18.751 -2.382 4.095 370 1HB ASP 58 1HB ASP 58 19.380 -3.132 1.661 371 2HB ASP 58 2HB ASP 58 17.985 -3.877 2.453 372 HD2 ASP 58 HD2 ASP 58 16.391 -3.143 -0.507 373 H ALA 59 H ALA 59 20.667 -1.224 4.340 374 HA ALA 59 HA ALA 59 22.011 0.578 4.162 375 1HB ALA 59 1HB ALA 59 23.444 -0.662 2.906 376 2HB ALA 59 2HB ALA 59 22.167 -1.170 1.773 377 3HB ALA 59 3HB ALA 59 22.941 0.422 1.587 378 H ASN 60 H ASN 60 21.177 0.795 0.702 379 HA ASN 60 HA ASN 60 21.019 3.414 0.519 380 1HB ASN 60 1HB ASN 60 19.768 1.145 -0.902 381 2HB ASN 60 2HB ASN 60 18.848 2.646 -1.094 382 1HD2 ASN 60 1HD2 ASN 60 20.041 1.421 -3.225 383 2HD2 ASN 60 2HD2 ASN 60 21.368 2.362 -3.819 384 H GLY 61 H GLY 61 18.372 1.182 1.584 385 1HA GLY 61 1HA GLY 61 17.048 2.123 3.469 386 2HA GLY 61 2HA GLY 61 16.812 3.538 2.464 387 H SER 62 H SER 62 16.987 0.808 0.440 388 HA SER 62 HA SER 62 14.249 1.022 -0.170 389 1HB SER 62 1HB SER 62 15.180 0.330 -2.097 390 2HB SER 62 2HB SER 62 16.634 -0.264 -1.274 391 HG SER 62 HG SER 62 14.122 -1.698 -1.344 392 H ALA 63 H ALA 63 12.523 -0.169 0.604 393 HA ALA 63 HA ALA 63 13.030 -2.012 2.733 394 1HB ALA 63 1HB ALA 63 10.962 -0.293 1.944 395 2HB ALA 63 2HB ALA 63 10.294 -1.926 1.710 396 3HB ALA 63 3HB ALA 63 10.927 -1.442 3.302 397 H SER 64 H SER 64 12.425 -4.264 2.776 398 HA SER 64 HA SER 64 11.847 -5.421 0.195 399 1HB SER 64 1HB SER 64 13.639 -7.167 0.578 400 2HB SER 64 2HB SER 64 14.255 -5.548 0.203 401 HG SER 64 HG SER 64 14.354 -7.042 2.625 402 H THR 65 H THR 65 9.971 -6.525 0.643 403 HA THR 65 HA THR 65 9.909 -8.718 2.338 404 HB THR 65 HB THR 65 9.810 -6.292 3.801 405 HG1 THR 65 1HG THR 65 9.214 -7.962 5.455 406 1HG2 THR 65 1HG2 THR 65 7.089 -7.701 3.777 407 2HG2 THR 65 2HG2 THR 65 7.577 -6.360 4.841 408 3HG2 THR 65 3HG2 THR 65 7.376 -6.083 3.093 409 H SER 66 H SER 66 7.600 -9.547 2.646 410 HA SER 66 HA SER 66 6.279 -9.016 0.148 411 1HB SER 66 1HB SER 66 4.929 -11.012 0.713 412 2HB SER 66 2HB SER 66 6.665 -11.354 0.819 413 HG SER 66 HG SER 66 5.965 -10.528 3.250 414 H LEU 67 H LEU 67 4.340 -7.901 -0.055 415 HA LEU 67 HA LEU 67 3.073 -7.090 2.468 416 1HB LEU 67 1HB LEU 67 3.810 -5.621 0.014 417 2HB LEU 67 2HB LEU 67 2.246 -5.212 0.738 418 HG LEU 67 HG LEU 67 3.205 -4.291 2.612 419 1HD1 LEU 67 1HD1 LEU 67 5.628 -4.779 3.277 420 2HD1 LEU 67 2HD1 LEU 67 4.430 -6.073 3.517 421 3HD1 LEU 67 3HD1 LEU 67 5.542 -6.136 2.128 422 1HD2 LEU 67 1HD2 LEU 67 4.348 -3.559 0.145 423 2HD2 LEU 67 2HD2 LEU 67 4.224 -2.584 1.629 424 3HD2 LEU 67 3HD2 LEU 67 5.678 -3.565 1.328 425 H THR 68 H THR 68 0.740 -6.982 2.502 426 HA THR 68 HA THR 68 -0.421 -8.966 0.710 427 HB THR 68 HB THR 68 -0.900 -9.404 3.006 428 HG1 THR 68 1HG THR 68 -3.070 -9.366 2.561 429 1HG2 THR 68 1HG2 THR 68 -2.023 -7.478 4.388 430 2HG2 THR 68 2HG2 THR 68 -0.253 -7.434 4.205 431 3HG2 THR 68 3HG2 THR 68 -1.277 -6.385 3.196 432 H VAL 69 H VAL 69 -0.812 -8.055 -1.264 433 HA VAL 69 HA VAL 69 -1.892 -5.416 -1.443 434 HB VAL 69 HB VAL 69 -1.809 -7.500 -3.615 435 1HG1 VAL 69 1HG1 VAL 69 -1.020 -5.119 -4.703 436 2HG1 VAL 69 2HG1 VAL 69 -2.692 -5.726 -4.694 437 3HG1 VAL 69 3HG1 VAL 69 -2.159 -4.571 -3.449 438 1HG2 VAL 69 1HG2 VAL 69 0.477 -5.980 -2.367 439 2HG2 VAL 69 2HG2 VAL 69 0.376 -7.700 -2.814 440 3HG2 VAL 69 3HG2 VAL 69 0.522 -6.458 -4.082 441 H ARG 70 H ARG 70 -3.649 -6.181 0.233 442 HA ARG 70 HA ARG 70 -5.621 -7.899 -0.435 443 1HB ARG 70 1HB ARG 70 -7.105 -6.200 0.940 444 2HB ARG 70 2HB ARG 70 -5.756 -7.015 1.748 445 1HG ARG 70 1HG ARG 70 -4.654 -4.703 0.541 446 2HG ARG 70 2HG ARG 70 -6.182 -4.169 1.263 447 1HD ARG 70 1HD ARG 70 -5.186 -4.161 3.286 448 2HD ARG 70 2HD ARG 70 -4.912 -5.906 3.158 449 HE ARG 70 HE ARG 70 -2.794 -5.196 1.825 450 1HH1 ARG 70 1HH1 ARG 70 -4.208 -3.271 4.410 451 2HH1 ARG 70 2HH1 ARG 70 -2.711 -2.512 4.838 452 1HH2 ARG 70 1HH2 ARG 70 -0.819 -4.195 2.389 453 2HH2 ARG 70 2HH2 ARG 70 -0.771 -3.041 3.680 454 H ARG 71 H ARG 71 -7.682 -7.714 -1.524 455 HA ARG 71 HA ARG 71 -7.763 -5.433 -3.328 456 1HB ARG 71 1HB ARG 71 -7.477 -7.620 -4.454 457 2HB ARG 71 2HB ARG 71 -8.939 -8.239 -3.668 458 1HG ARG 71 1HG ARG 71 -9.277 -5.684 -5.149 459 2HG ARG 71 2HG ARG 71 -8.878 -7.082 -6.165 460 1HD ARG 71 1HD ARG 71 -11.144 -6.991 -4.123 461 2HD ARG 71 2HD ARG 71 -11.358 -6.740 -5.863 462 HE ARG 71 HE ARG 71 -9.992 -9.186 -5.582 463 1HH1 ARG 71 1HH1 ARG 71 -13.092 -7.850 -4.591 464 2HH1 ARG 71 2HH1 ARG 71 -13.900 -9.383 -4.601 465 1HH2 ARG 71 1HH2 ARG 71 -11.057 -11.208 -5.596 466 2HH2 ARG 71 2HH2 ARG 71 -12.735 -11.305 -5.177 467 H SER 72 H SER 72 -9.967 -7.896 -1.781 468 HA SER 72 HA SER 72 -12.167 -6.134 -1.954 469 1HB SER 72 1HB SER 72 -13.411 -7.881 -0.855 470 2HB SER 72 2HB SER 72 -12.300 -8.659 -1.997 471 HG SER 72 HG SER 72 -11.782 -9.826 -0.263 472 H PHE 73 H PHE 73 -11.595 -4.203 -0.808 473 HA PHE 73 HA PHE 73 -12.229 -4.179 1.893 474 1HB PHE 73 1HB PHE 73 -10.155 -4.317 2.945 475 2HB PHE 73 2HB PHE 73 -9.679 -5.186 1.481 476 HD1 PHE 73 1HD PHE 73 -8.592 -3.855 -0.387 477 HD2 PHE 73 2HD PHE 73 -9.147 -2.287 3.517 478 HE1 PHE 73 1HE PHE 73 -6.843 -2.111 -0.838 479 HE2 PHE 73 2HE PHE 73 -7.398 -0.544 3.066 480 HZ PHE 73 HZ PHE 73 -6.267 -0.477 0.894 481 H GLU 74 H GLU 74 -10.889 -1.925 2.827 482 HA GLU 74 HA GLU 74 -10.751 0.010 0.752 483 1HB GLU 74 1HB GLU 74 -13.270 -0.434 2.103 484 2HB GLU 74 2HB GLU 74 -12.668 1.185 2.502 485 1HG GLU 74 1HG GLU 74 -12.767 0.114 -0.342 486 2HG GLU 74 2HG GLU 74 -14.127 0.982 0.387 487 HE2 GLU 74 HE2 GLU 74 -10.894 3.266 0.329 488 H GLY 75 H GLY 75 -10.165 2.218 1.672 489 1HA GLY 75 1HA GLY 75 -8.774 1.863 4.259 490 2HA GLY 75 2HA GLY 75 -8.183 2.831 2.924 491 H PHE 76 H PHE 76 -8.087 4.594 4.587 492 HA PHE 76 HA PHE 76 -10.749 5.736 5.060 493 1HB PHE 76 1HB PHE 76 -8.059 5.711 6.487 494 2HB PHE 76 2HB PHE 76 -9.158 7.063 6.785 495 HD1 PHE 76 1HD PHE 76 -9.918 6.765 8.958 496 HD2 PHE 76 2HD PHE 76 -9.883 3.435 6.327 497 HE1 PHE 76 1HE PHE 76 -11.114 5.388 10.683 498 HE2 PHE 76 2HE PHE 76 -11.078 2.059 8.052 499 HZ PHE 76 HZ PHE 76 -11.679 3.052 10.209 500 H LEU 77 H LEU 77 -11.178 7.859 4.426 501 HA LEU 77 HA LEU 77 -9.832 8.884 2.271 502 1HB LEU 77 1HB LEU 77 -11.877 9.775 4.167 503 2HB LEU 77 2HB LEU 77 -10.978 11.094 3.394 504 HG LEU 77 HG LEU 77 -13.168 10.306 2.321 505 1HD1 LEU 77 1HD1 LEU 77 -10.984 11.545 1.302 506 2HD1 LEU 77 2HD1 LEU 77 -11.106 10.145 0.210 507 3HD1 LEU 77 3HD1 LEU 77 -12.488 11.252 0.395 508 1HD2 LEU 77 1HD2 LEU 77 -12.458 7.845 2.555 509 2HD2 LEU 77 2HD2 LEU 77 -13.246 8.355 1.043 510 3HD2 LEU 77 3HD2 LEU 77 -11.480 8.132 1.096 511 H PHE 78 H PHE 78 -9.454 9.693 5.777 512 HA PHE 78 HA PHE 78 -7.675 10.437 6.871 513 1HB PHE 78 1HB PHE 78 -6.571 9.215 4.666 514 2HB PHE 78 2HB PHE 78 -6.057 10.879 4.354 515 HD1 PHE 78 1HD PHE 78 -4.350 11.899 5.687 516 HD2 PHE 78 2HD PHE 78 -5.784 8.026 6.664 517 HE1 PHE 78 1HE PHE 78 -2.417 11.579 7.257 518 HE2 PHE 78 2HE PHE 78 -3.852 7.706 8.233 519 HZ PHE 78 HZ PHE 78 -2.192 9.487 8.511 520 H ASP 79 H ASP 79 -9.686 12.079 5.094 521 HA ASP 79 HA ASP 79 -8.631 14.570 5.909 522 1HB ASP 79 1HB ASP 79 -7.445 14.274 3.745 523 2HB ASP 79 2HB ASP 79 -8.994 14.039 2.921 524 HD2 ASP 79 HD2 ASP 79 -9.456 17.410 2.580 525 H GLY 80 H GLY 80 -11.000 12.738 6.220 526 1HA GLY 80 1HA GLY 80 -13.077 14.614 6.152 527 2HA GLY 80 2HA GLY 80 -13.209 13.614 4.719 528 H THR 81 H THR 81 -12.794 11.100 5.242 529 HA THR 81 HA THR 81 -13.698 10.295 7.848 530 HB THR 81 HB THR 81 -15.501 9.677 5.463 531 HG1 THR 81 1HG THR 81 -16.245 11.733 5.792 532 1HG2 THR 81 1HG2 THR 81 -16.748 8.556 7.015 533 2HG2 THR 81 2HG2 THR 81 -15.419 8.783 8.177 534 3HG2 THR 81 3HG2 THR 81 -16.739 9.975 8.089 535 H ARG 82 H ARG 82 -14.794 7.761 6.500 536 HA ARG 82 HA ARG 82 -12.314 6.767 5.408 537 1HB ARG 82 1HB ARG 82 -12.297 4.819 6.906 538 2HB ARG 82 2HB ARG 82 -12.249 6.301 7.877 539 1HG ARG 82 1HG ARG 82 -14.997 5.679 7.451 540 2HG ARG 82 2HG ARG 82 -14.206 4.156 7.897 541 1HD ARG 82 1HD ARG 82 -13.155 5.415 9.853 542 2HD ARG 82 2HD ARG 82 -14.210 6.781 9.456 543 HE ARG 82 HE ARG 82 -15.811 4.426 9.650 544 1HH1 ARG 82 1HH1 ARG 82 -13.901 6.537 11.720 545 2HH1 ARG 82 2HH1 ARG 82 -14.842 6.210 13.137 546 1HH2 ARG 82 1HH2 ARG 82 -17.052 3.995 11.520 547 2HH2 ARG 82 2HH2 ARG 82 -16.646 4.754 13.023 548 H TRP 83 H TRP 83 -12.615 4.764 4.143 549 HA TRP 83 HA TRP 83 -15.259 4.627 3.022 550 1HB TRP 83 1HB TRP 83 -12.574 3.493 2.372 551 2HB TRP 83 2HB TRP 83 -14.014 2.751 1.673 552 HD1 TRP 83 HD TRP 83 -11.765 5.786 1.299 553 HE1 TRP 83 1HE TRP 83 -12.489 7.315 -0.726 554 HE3 TRP 83 3HE TRP 83 -16.212 3.468 0.455 555 HZ2 TRP 83 2HZ TRP 83 -14.787 7.383 -2.415 556 HZ3 TRP 83 3HZ TRP 83 -17.636 4.328 -1.401 557 HH2 TRP 83 HH TRP 83 -16.988 6.216 -2.811 558 H GLY 84 H GLY 84 -12.957 2.048 4.163 559 1HA GLY 84 1HA GLY 84 -13.788 0.801 6.172 560 2HA GLY 84 2HA GLY 84 -15.295 0.632 5.293 561 H THR 85 H THR 85 -15.540 -1.017 3.791 562 HA THR 85 HA THR 85 -13.167 -2.300 2.721 563 HB THR 85 HB THR 85 -14.918 -3.424 4.888 564 HG1 THR 85 1HG THR 85 -12.734 -3.235 5.391 565 1HG2 THR 85 1HG2 THR 85 -14.127 -4.906 2.369 566 2HG2 THR 85 2HG2 THR 85 -13.972 -5.743 3.932 567 3HG2 THR 85 3HG2 THR 85 -15.559 -5.137 3.401 568 H VAL 86 H VAL 86 -13.668 -1.846 0.629 569 HA VAL 86 HA VAL 86 -16.235 -2.949 -0.279 570 HB VAL 86 HB VAL 86 -15.871 -0.352 -0.159 571 1HG1 VAL 86 1HG1 VAL 86 -14.951 -0.497 -2.958 572 2HG1 VAL 86 2HG1 VAL 86 -14.524 0.648 -1.664 573 3HG1 VAL 86 3HG1 VAL 86 -13.718 -0.937 -1.752 574 1HG2 VAL 86 1HG2 VAL 86 -17.412 -2.114 -1.817 575 2HG2 VAL 86 2HG2 VAL 86 -17.825 -0.489 -1.222 576 3HG2 VAL 86 3HG2 VAL 86 -16.962 -0.679 -2.767 577 H ASP 87 H ASP 87 -16.064 -3.197 -2.855 578 HA ASP 87 HA ASP 87 -13.934 -5.023 -3.195 579 1HB ASP 87 1HB ASP 87 -15.959 -3.922 -5.190 580 2HB ASP 87 2HB ASP 87 -14.925 -5.332 -5.471 581 HD2 ASP 87 HD2 ASP 87 -16.910 -7.030 -2.915 582 H CYS 88 H CYS 88 -11.879 -4.074 -3.463 583 HA CYS 88 HA CYS 88 -11.555 -1.573 -4.736 584 1HB CYS 88 1HB CYS 88 -10.112 -2.774 -2.953 585 2HB CYS 88 2HB CYS 88 -9.316 -3.531 -4.345 586 H THR 89 H THR 89 -9.011 -2.758 -6.151 587 HA THR 89 HA THR 89 -8.455 -3.255 -8.249 588 HB THR 89 HB THR 89 -9.320 -5.494 -7.285 589 HG1 THR 89 1HG THR 89 -8.172 -5.272 -9.339 590 1HG2 THR 89 1HG2 THR 89 -11.330 -6.215 -8.920 591 2HG2 THR 89 2HG2 THR 89 -11.672 -5.503 -7.325 592 3HG2 THR 89 3HG2 THR 89 -11.746 -4.490 -8.786 593 H THR 90 H THR 90 -11.364 -1.741 -7.518 594 HA THR 90 HA THR 90 -12.012 -1.363 -10.360 595 HB THR 90 HB THR 90 -13.532 -1.603 -7.837 596 HG1 THR 90 1HG THR 90 -14.066 -1.474 -10.723 597 1HG2 THR 90 1HG2 THR 90 -15.343 -0.014 -8.834 598 2HG2 THR 90 2HG2 THR 90 -14.003 0.757 -7.950 599 3HG2 THR 90 3HG2 THR 90 -14.006 0.745 -9.730 600 H ALA 91 H ALA 91 -10.975 0.278 -7.368 601 HA ALA 91 HA ALA 91 -10.969 2.812 -8.826 602 1HB ALA 91 1HB ALA 91 -11.955 2.405 -6.435 603 2HB ALA 91 2HB ALA 91 -10.252 2.440 -5.915 604 3HB ALA 91 3HB ALA 91 -10.964 3.854 -6.729 605 H ALA 92 H ALA 92 -8.994 0.122 -8.227 606 HA ALA 92 HA ALA 92 -6.851 -0.251 -8.660 607 1HB ALA 92 1HB ALA 92 -7.321 1.650 -10.403 608 2HB ALA 92 2HB ALA 92 -6.361 2.661 -9.296 609 3HB ALA 92 3HB ALA 92 -5.638 1.210 -10.029 610 H CYS 93 H CYS 93 -6.422 -0.774 -6.480 611 HA CYS 93 HA CYS 93 -5.805 1.350 -4.655 612 1HB CYS 93 1HB CYS 93 -5.013 -1.197 -3.662 613 2HB CYS 93 2HB CYS 93 -6.341 -0.151 -3.129 614 H GLN 94 H GLN 94 -3.615 0.815 -3.274 615 HA GLN 94 HA GLN 94 -1.526 0.008 -5.099 616 1HB GLN 94 1HB GLN 94 -0.199 2.008 -4.720 617 2HB GLN 94 2HB GLN 94 -1.778 2.485 -5.368 618 1HG GLN 94 1HG GLN 94 -1.334 2.354 -2.380 619 2HG GLN 94 2HG GLN 94 -0.756 3.762 -3.287 620 1HE2 GLN 94 1HE2 GLN 94 -2.100 5.377 -3.445 621 2HE2 GLN 94 2HE2 GLN 94 -3.830 5.321 -3.367 622 H VAL 95 H VAL 95 0.560 -0.426 -3.954 623 HA VAL 95 HA VAL 95 0.171 -0.766 -1.065 624 HB VAL 95 HB VAL 95 1.124 -2.770 -3.106 625 1HG1 VAL 95 1HG1 VAL 95 1.387 -4.100 -0.750 626 2HG1 VAL 95 2HG1 VAL 95 2.730 -3.305 -1.605 627 3HG1 VAL 95 3HG1 VAL 95 1.910 -2.469 -0.264 628 1HG2 VAL 95 1HG2 VAL 95 -0.873 -3.149 -0.863 629 2HG2 VAL 95 2HG2 VAL 95 -1.341 -2.534 -2.466 630 3HG2 VAL 95 3HG2 VAL 95 -0.621 -4.154 -2.311 631 H GLY 96 H GLY 96 1.614 0.551 -0.086 632 1HA GLY 96 1HA GLY 96 4.366 0.564 -1.136 633 2HA GLY 96 2HA GLY 96 3.530 2.079 -0.862 634 H LEU 97 H LEU 97 5.756 1.928 0.569 635 HA LEU 97 HA LEU 97 5.010 0.840 3.185 636 1HB LEU 97 1HB LEU 97 7.611 1.428 1.832 637 2HB LEU 97 2HB LEU 97 7.520 1.347 3.599 638 HG LEU 97 HG LEU 97 8.167 -0.789 3.076 639 1HD1 LEU 97 1HD1 LEU 97 6.327 -2.294 3.430 640 2HD1 LEU 97 2HD1 LEU 97 6.047 -0.813 4.378 641 3HD1 LEU 97 3HD1 LEU 97 5.160 -1.077 2.857 642 1HD2 LEU 97 1HD2 LEU 97 7.731 -0.204 0.528 643 2HD2 LEU 97 2HD2 LEU 97 7.935 -1.882 1.087 644 3HD2 LEU 97 3HD2 LEU 97 6.304 -1.236 0.787 645 H SER 98 H SER 98 5.402 2.182 5.107 646 HA SER 98 HA SER 98 5.856 4.955 4.667 647 1HB SER 98 1HB SER 98 3.544 5.034 4.105 648 2HB SER 98 2HB SER 98 3.095 3.929 5.416 649 HG SER 98 HG SER 98 3.844 5.657 6.909 650 H ASP 99 H ASP 99 7.055 5.612 6.417 651 HA ASP 99 HA ASP 99 7.094 3.882 8.696 652 1HB ASP 99 1HB ASP 99 8.596 6.417 8.868 653 2HB ASP 99 2HB ASP 99 9.178 4.756 9.058 654 HD2 ASP 99 HD2 ASP 99 10.798 5.100 6.083 655 H ALA 100 H ALA 100 7.328 5.250 10.947 656 HA ALA 100 HA ALA 100 4.863 6.749 11.149 657 1HB ALA 100 1HB ALA 100 6.869 6.003 13.311 658 2HB ALA 100 2HB ALA 100 5.164 6.466 13.525 659 3HB ALA 100 3HB ALA 100 5.575 4.918 12.747 660 H ALA 101 H ALA 101 7.280 7.814 9.654 661 HA ALA 101 HA ALA 101 7.103 10.424 10.126 662 1HB ALA 101 1HB ALA 101 7.775 10.669 12.289 663 2HB ALA 101 2HB ALA 101 8.654 9.121 12.300 664 3HB ALA 101 3HB ALA 101 9.406 10.567 11.584 665 H GLY 102 H GLY 102 7.605 8.631 8.022 666 1HA GLY 102 1HA GLY 102 10.197 9.658 7.084 667 2HA GLY 102 2HA GLY 102 9.878 7.936 7.013 668 H ASN 103 H ASN 103 7.261 7.680 6.231 669 HA ASN 103 HA ASN 103 7.057 9.342 3.854 670 1HB ASN 103 1HB ASN 103 7.667 6.527 3.942 671 2HB ASN 103 2HB ASN 103 6.033 6.693 3.281 672 1HD2 ASN 103 1HD2 ASN 103 6.120 9.034 1.952 673 2HD2 ASN 103 2HD2 ASN 103 7.239 8.983 0.631 674 H GLY 104 H GLY 104 4.695 8.065 2.813 675 1HA GLY 104 1HA GLY 104 2.762 7.616 4.874 676 2HA GLY 104 2HA GLY 104 2.641 9.231 4.203 677 HA PRO 105 HA PRO 105 0.214 7.084 1.220 678 1HB PRO 105 1HB PRO 105 -1.040 9.284 0.196 679 2HB PRO 105 2HB PRO 105 -1.639 8.398 1.596 680 1HG PRO 105 1HG PRO 105 -0.211 10.976 1.449 681 2HG PRO 105 2HG PRO 105 -1.224 10.329 2.790 682 1HD PRO 105 1HD PRO 105 1.631 10.504 2.639 683 2HD PRO 105 2HD PRO 105 0.688 9.712 3.909 684 H GLU 106 H GLU 106 1.057 6.190 -0.543 685 HA GLU 106 HA GLU 106 1.488 7.533 -2.812 686 1HB GLU 106 1HB GLU 106 3.523 8.268 -0.950 687 2HB GLU 106 2HB GLU 106 4.296 7.269 -2.193 688 1HG GLU 106 1HG GLU 106 4.305 9.076 -3.538 689 2HG GLU 106 2HG GLU 106 2.539 9.004 -3.591 690 HE2 GLU 106 HE2 GLU 106 2.454 12.023 -1.974 691 H GLY 107 H GLY 107 0.556 5.027 -2.014 692 1HA GLY 107 1HA GLY 107 2.476 2.958 -2.213 693 2HA GLY 107 2HA GLY 107 0.738 2.816 -2.392 694 H VAL 108 H VAL 108 2.085 1.192 -4.034 695 HA VAL 108 HA VAL 108 2.387 2.620 -6.572 696 HB VAL 108 HB VAL 108 4.307 1.358 -5.970 697 1HG1 VAL 108 1HG1 VAL 108 3.556 -1.342 -5.912 698 2HG1 VAL 108 2HG1 VAL 108 4.100 -0.347 -4.540 699 3HG1 VAL 108 3HG1 VAL 108 2.362 -0.509 -4.888 700 1HG2 VAL 108 1HG2 VAL 108 3.267 1.185 -8.356 701 2HG2 VAL 108 2HG2 VAL 108 4.620 0.118 -7.911 702 3HG2 VAL 108 3HG2 VAL 108 2.952 -0.507 -7.906 703 H ALA 109 H ALA 109 0.793 2.508 -8.069 704 HA ALA 109 HA ALA 109 -1.614 1.232 -7.536 705 1HB ALA 109 1HB ALA 109 -1.359 3.159 -9.040 706 2HB ALA 109 2HB ALA 109 -0.408 2.169 -10.172 707 3HB ALA 109 3HB ALA 109 -2.128 1.802 -9.897 708 H ILE 110 H ILE 110 -1.851 -0.938 -7.270 709 HA ILE 110 HA ILE 110 -0.448 -2.646 -9.206 710 HB ILE 110 HB ILE 110 -1.156 -3.057 -6.311 711 1HG1 ILE 110 1HG1 ILE 110 1.483 -3.760 -7.460 712 2HG1 ILE 110 2HG1 ILE 110 1.092 -2.033 -7.391 713 1HG2 ILE 110 1HG2 ILE 110 -0.820 -5.083 -8.467 714 2HG2 ILE 110 2HG2 ILE 110 -0.028 -5.401 -6.905 715 3HG2 ILE 110 3HG2 ILE 110 -1.787 -5.136 -6.973 716 1HD1 ILE 110 1HD1 ILE 110 1.046 -4.014 -5.069 717 2HD1 ILE 110 2HD1 ILE 110 2.226 -2.706 -5.324 718 3HD1 ILE 110 3HD1 ILE 110 0.530 -2.313 -4.956 719 H SER 111 H SER 111 -1.620 -4.428 -10.123 720 HA SER 111 HA SER 111 -4.428 -3.809 -10.289 721 1HB SER 111 1HB SER 111 -2.466 -4.765 -12.086 722 2HB SER 111 2HB SER 111 -3.594 -6.113 -11.867 723 HG SER 111 HG SER 111 -5.265 -4.228 -12.196 724 H PHE 112 H PHE 112 -5.697 -4.719 -8.701 725 HA PHE 112 HA PHE 112 -4.892 -7.220 -7.519 726 1HB PHE 112 1HB PHE 112 -7.338 -5.385 -7.200 727 2HB PHE 112 2HB PHE 112 -6.928 -6.699 -6.094 728 HD1 PHE 112 1HD PHE 112 -5.471 -6.318 -4.297 729 HD2 PHE 112 2HD PHE 112 -5.720 -3.446 -7.411 730 HE1 PHE 112 1HE PHE 112 -4.089 -4.723 -2.937 731 HE2 PHE 112 2HE PHE 112 -4.340 -1.851 -6.052 732 HZ PHE 112 HZ PHE 112 -3.540 -2.508 -3.830 733 H ASN 113 H ASN 113 -5.752 -9.223 -7.937 734 HA ASN 113 HA ASN 113 -6.818 -10.776 -9.018 735 1HB ASN 113 1HB ASN 113 -8.683 -10.076 -7.559 736 2HB ASN 113 2HB ASN 113 -9.171 -8.835 -8.725 737 1HD2 ASN 113 1HD2 ASN 113 -11.099 -9.500 -9.372 738 2HD2 ASN 113 2HD2 ASN 113 -11.470 -11.031 -10.092 Start of MODEL 22 1 H ALA 1 H ALA 1 6.737 8.814 1.738 2 HA ALA 1 HA ALA 1 9.619 9.058 1.980 3 1HB ALA 1 1HB ALA 1 8.203 6.450 1.537 4 2HB ALA 1 2HB ALA 1 9.573 6.837 2.606 5 3HB ALA 1 3HB ALA 1 7.922 7.306 3.073 6 H ALA 2 H ALA 2 11.092 8.572 0.336 7 HA ALA 2 HA ALA 2 10.607 9.238 -2.193 8 1HB ALA 2 1HB ALA 2 12.559 7.498 -0.802 9 2HB ALA 2 2HB ALA 2 12.428 7.212 -2.554 10 3HB ALA 2 3HB ALA 2 12.828 8.835 -1.945 11 HA PRO 3 HA PRO 3 7.915 6.226 -3.784 12 1HB PRO 3 1HB PRO 3 7.927 7.004 -6.402 13 2HB PRO 3 2HB PRO 3 6.914 7.763 -5.177 14 1HG PRO 3 1HG PRO 3 9.415 8.711 -6.421 15 2HG PRO 3 2HG PRO 3 8.157 9.667 -5.560 16 1HD PRO 3 1HD PRO 3 10.743 8.874 -4.621 17 2HD PRO 3 2HD PRO 3 9.480 9.677 -3.680 18 H THR 4 H THR 4 9.947 4.865 -3.082 19 HA THR 4 HA THR 4 10.956 3.648 -5.566 20 HB THR 4 HB THR 4 12.165 3.361 -2.787 21 HG1 THR 4 1HG THR 4 12.388 5.436 -4.851 22 1HG2 THR 4 1HG2 THR 4 14.227 3.649 -4.531 23 2HG2 THR 4 2HG2 THR 4 13.494 2.061 -4.203 24 3HG2 THR 4 3HG2 THR 4 13.018 2.979 -5.652 25 H ALA 5 H ALA 5 8.629 3.283 -3.159 26 HA ALA 5 HA ALA 5 8.916 0.488 -2.714 27 1HB ALA 5 1HB ALA 5 7.433 0.991 -1.104 28 2HB ALA 5 2HB ALA 5 7.384 2.664 -1.710 29 3HB ALA 5 3HB ALA 5 6.224 1.461 -2.323 30 H THR 6 H THR 6 8.119 -1.227 -3.876 31 HA THR 6 HA THR 6 6.023 -0.823 -5.804 32 HB THR 6 HB THR 6 7.473 -1.569 -7.730 33 HG1 THR 6 1HG THR 6 9.225 -2.551 -6.673 34 1HG2 THR 6 1HG2 THR 6 7.204 0.942 -7.188 35 2HG2 THR 6 2HG2 THR 6 8.763 0.828 -6.337 36 3HG2 THR 6 3HG2 THR 6 8.678 0.508 -8.086 37 H VAL 7 H VAL 7 5.154 -2.815 -6.621 38 HA VAL 7 HA VAL 7 5.925 -5.059 -4.896 39 HB VAL 7 HB VAL 7 3.359 -4.011 -5.967 40 1HG1 VAL 7 1HG1 VAL 7 2.225 -6.136 -5.863 41 2HG1 VAL 7 2HG1 VAL 7 3.587 -6.280 -7.000 42 3HG1 VAL 7 3HG1 VAL 7 3.718 -6.964 -5.361 43 1HG2 VAL 7 1HG2 VAL 7 3.523 -5.630 -3.482 44 2HG2 VAL 7 2HG2 VAL 7 4.449 -4.109 -3.494 45 3HG2 VAL 7 3HG2 VAL 7 2.695 -4.086 -3.799 46 H THR 8 H THR 8 7.067 -6.655 -5.851 47 HA THR 8 HA THR 8 8.102 -6.893 -8.198 48 HB THR 8 HB THR 8 6.742 -8.919 -6.425 49 HG1 THR 8 1HG THR 8 9.128 -9.592 -6.671 50 1HG2 THR 8 1HG2 THR 8 7.342 -10.778 -7.820 51 2HG2 THR 8 2HG2 THR 8 6.479 -9.674 -8.917 52 3HG2 THR 8 3HG2 THR 8 8.259 -9.741 -8.940 53 HA PRO 9 HA PRO 9 4.404 -8.251 -10.680 54 1HB PRO 9 1HB PRO 9 2.053 -8.992 -9.502 55 2HB PRO 9 2HB PRO 9 3.324 -10.139 -9.923 56 1HG PRO 9 1HG PRO 9 2.573 -9.021 -7.298 57 2HG PRO 9 2HG PRO 9 3.514 -10.514 -7.656 58 1HD PRO 9 1HD PRO 9 4.476 -7.984 -6.724 59 2HD PRO 9 2HD PRO 9 5.459 -9.370 -7.216 60 H SER 10 H SER 10 1.847 -7.369 -8.519 61 HA SER 10 HA SER 10 0.881 -5.403 -8.178 62 1HB SER 10 1HB SER 10 1.719 -3.362 -8.899 63 2HB SER 10 2HB SER 10 3.184 -4.359 -8.946 64 HG SER 10 HG SER 10 1.595 -3.319 -11.078 65 H SER 11 H SER 11 0.145 -7.603 -9.980 66 HA SER 11 HA SER 11 -1.977 -6.318 -11.287 67 1HB SER 11 1HB SER 11 -1.434 -7.042 -13.606 68 2HB SER 11 2HB SER 11 -0.309 -5.813 -13.002 69 HG SER 11 HG SER 11 0.224 -8.313 -13.942 70 H GLY 12 H GLY 12 -3.604 -7.875 -11.947 71 1HA GLY 12 1HA GLY 12 -4.735 -9.805 -11.714 72 2HA GLY 12 2HA GLY 12 -3.278 -10.582 -12.302 73 H LEU 13 H LEU 13 -3.721 -8.715 -9.236 74 HA LEU 13 HA LEU 13 -2.676 -11.011 -7.800 75 1HB LEU 13 1HB LEU 13 -3.314 -8.236 -6.819 76 2HB LEU 13 2HB LEU 13 -2.387 -9.482 -5.965 77 HG LEU 13 HG LEU 13 -1.599 -7.779 -8.315 78 1HD1 LEU 13 1HD1 LEU 13 -0.079 -8.482 -5.795 79 2HD1 LEU 13 2HD1 LEU 13 0.292 -7.207 -6.980 80 3HD1 LEU 13 3HD1 LEU 13 -1.153 -7.072 -5.950 81 1HD2 LEU 13 1HD2 LEU 13 -0.047 -10.234 -7.479 82 2HD2 LEU 13 2HD2 LEU 13 -1.184 -10.216 -8.849 83 3HD2 LEU 13 3HD2 LEU 13 0.247 -9.157 -8.864 84 H SER 14 H SER 14 -4.094 -9.996 -5.296 85 HA SER 14 HA SER 14 -6.840 -10.358 -5.807 86 1HB SER 14 1HB SER 14 -5.603 -12.733 -5.875 87 2HB SER 14 2HB SER 14 -5.760 -12.596 -4.115 88 HG SER 14 HG SER 14 -7.583 -13.685 -5.093 89 H ASP 15 H ASP 15 -8.079 -10.474 -3.620 90 HA ASP 15 HA ASP 15 -7.179 -8.461 -2.005 91 1HB ASP 15 1HB ASP 15 -8.964 -9.156 -0.455 92 2HB ASP 15 2HB ASP 15 -9.536 -9.224 -2.128 93 HD2 ASP 15 HD2 ASP 15 -9.571 -12.474 0.067 94 H GLY 16 H GLY 16 -5.153 -8.676 -0.970 95 1HA GLY 16 1HA GLY 16 -3.964 -9.324 0.909 96 2HA GLY 16 2HA GLY 16 -4.933 -10.778 1.047 97 H THR 17 H THR 17 -3.395 -9.593 -1.982 98 HA THR 17 HA THR 17 -2.091 -12.146 -2.291 99 HB THR 17 HB THR 17 -2.463 -9.612 -3.940 100 HG1 THR 17 1HG THR 17 -4.001 -11.558 -3.588 101 1HG2 THR 17 1HG2 THR 17 -0.362 -10.202 -4.830 102 2HG2 THR 17 2HG2 THR 17 -0.536 -11.910 -4.358 103 3HG2 THR 17 3HG2 THR 17 -1.427 -11.280 -5.764 104 H VAL 18 H VAL 18 -0.630 -12.235 -0.523 105 HA VAL 18 HA VAL 18 1.296 -10.169 -0.182 106 HB VAL 18 HB VAL 18 1.417 -13.010 0.827 107 1HG1 VAL 18 1HG1 VAL 18 3.274 -11.082 1.078 108 2HG1 VAL 18 2HG1 VAL 18 2.240 -10.659 2.464 109 3HG1 VAL 18 3HG1 VAL 18 2.952 -12.287 2.349 110 1HG2 VAL 18 1HG2 VAL 18 -0.550 -10.915 1.417 111 2HG2 VAL 18 2HG2 VAL 18 -0.574 -12.653 1.799 112 3HG2 VAL 18 3HG2 VAL 18 0.289 -11.520 2.866 113 H VAL 19 H VAL 19 2.599 -9.752 -1.932 114 HA VAL 19 HA VAL 19 4.028 -12.081 -3.018 115 HB VAL 19 HB VAL 19 4.281 -10.384 -5.012 116 1HG1 VAL 19 1HG1 VAL 19 1.815 -11.283 -5.691 117 2HG1 VAL 19 2HG1 VAL 19 3.280 -12.293 -5.711 118 3HG1 VAL 19 3HG1 VAL 19 2.175 -12.356 -4.317 119 1HG2 VAL 19 1HG2 VAL 19 2.138 -9.096 -5.323 120 2HG2 VAL 19 2HG2 VAL 19 1.770 -9.417 -3.612 121 3HG2 VAL 19 3HG2 VAL 19 3.211 -8.468 -4.048 122 H LYS 20 H LYS 20 6.223 -11.309 -4.048 123 HA LYS 20 HA LYS 20 7.720 -10.206 -1.933 124 1HB LYS 20 1HB LYS 20 8.225 -11.254 -4.661 125 2HB LYS 20 2HB LYS 20 9.454 -10.166 -3.990 126 1HG LYS 20 1HG LYS 20 9.616 -11.588 -1.978 127 2HG LYS 20 2HG LYS 20 8.353 -12.659 -2.607 128 1HD LYS 20 1HD LYS 20 9.756 -13.600 -4.190 129 2HD LYS 20 2HD LYS 20 10.748 -12.140 -4.352 130 1HE LYS 20 1HE LYS 20 11.757 -12.590 -2.132 131 2HE LYS 20 2HE LYS 20 10.756 -14.040 -1.958 132 1HZ LYS 20 1HZ LYS 20 11.916 -15.078 -3.635 133 2HZ LYS 20 2HZ LYS 20 12.513 -13.694 -4.265 134 3HZ LYS 20 3HZ LYS 20 13.101 -14.270 -2.854 135 H VAL 21 H VAL 21 8.135 -8.125 -1.408 136 HA VAL 21 HA VAL 21 7.655 -6.127 -3.510 137 HB VAL 21 HB VAL 21 6.903 -6.123 -0.590 138 1HG1 VAL 21 1HG1 VAL 21 7.380 -3.937 -0.517 139 2HG1 VAL 21 2HG1 VAL 21 7.706 -3.874 -2.266 140 3HG1 VAL 21 3HG1 VAL 21 6.040 -3.701 -1.665 141 1HG2 VAL 21 1HG2 VAL 21 4.722 -5.248 -1.875 142 2HG2 VAL 21 2HG2 VAL 21 5.446 -6.203 -3.191 143 3HG2 VAL 21 3HG2 VAL 21 5.064 -6.978 -1.636 144 H ALA 22 H ALA 22 9.144 -4.408 -3.640 145 HA ALA 22 HA ALA 22 11.339 -4.454 -1.718 146 1HB ALA 22 1HB ALA 22 12.118 -5.898 -3.502 147 2HB ALA 22 2HB ALA 22 11.607 -4.722 -4.737 148 3HB ALA 22 3HB ALA 22 12.956 -4.334 -3.642 149 H GLY 23 H GLY 23 12.717 -2.435 -1.955 150 1HA GLY 23 1HA GLY 23 12.988 -0.220 -2.444 151 2HA GLY 23 2HA GLY 23 11.531 -0.238 -3.418 152 H ALA 24 H ALA 24 11.111 1.876 -2.279 153 HA ALA 24 HA ALA 24 9.075 2.077 -0.753 154 1HB ALA 24 1HB ALA 24 11.290 1.099 1.079 155 2HB ALA 24 2HB ALA 24 9.855 1.962 1.681 156 3HB ALA 24 3HB ALA 24 9.669 0.403 0.843 157 H GLY 25 H GLY 25 10.613 3.449 1.680 158 1HA GLY 25 1HA GLY 25 10.769 6.015 0.411 159 2HA GLY 25 2HA GLY 25 11.068 5.629 2.094 160 H LEU 26 H LEU 26 12.881 3.414 0.335 161 HA LEU 26 HA LEU 26 15.103 3.171 0.279 162 1HB LEU 26 1HB LEU 26 14.690 3.872 -1.914 163 2HB LEU 26 2HB LEU 26 14.570 5.578 -1.448 164 HG LEU 26 HG LEU 26 17.147 4.816 -0.687 165 1HD1 LEU 26 1HD1 LEU 26 18.149 3.557 -2.334 166 2HD1 LEU 26 2HD1 LEU 26 16.567 2.753 -2.189 167 3HD1 LEU 26 3HD1 LEU 26 16.870 3.889 -3.526 168 1HD2 LEU 26 1HD2 LEU 26 17.831 6.243 -2.635 169 2HD2 LEU 26 2HD2 LEU 26 16.117 6.309 -3.111 170 3HD2 LEU 26 3HD2 LEU 26 16.633 6.981 -1.546 171 H GLN 27 H GLN 27 14.841 3.830 2.747 172 HA GLN 27 HA GLN 27 16.089 6.353 3.292 173 1HB GLN 27 1HB GLN 27 14.286 5.685 4.743 174 2HB GLN 27 2HB GLN 27 15.044 4.119 5.079 175 1HG GLN 27 1HG GLN 27 15.953 5.107 6.898 176 2HG GLN 27 2HG GLN 27 17.019 5.981 5.785 177 1HE2 GLN 27 1HE2 GLN 27 16.635 8.099 5.294 178 2HE2 GLN 27 2HE2 GLN 27 15.504 9.103 6.139 179 H ALA 28 H ALA 28 16.842 3.502 5.272 180 HA ALA 28 HA ALA 28 19.120 2.541 4.202 181 1HB ALA 28 1HB ALA 28 20.599 4.237 4.148 182 2HB ALA 28 2HB ALA 28 19.488 5.311 5.031 183 3HB ALA 28 3HB ALA 28 20.573 4.221 5.927 184 H GLY 29 H GLY 29 18.566 0.692 5.328 185 1HA GLY 29 1HA GLY 29 18.119 -0.652 7.092 186 2HA GLY 29 2HA GLY 29 19.537 0.121 7.774 187 H THR 30 H THR 30 16.079 1.089 7.157 188 HA THR 30 HA THR 30 15.847 1.698 10.013 189 HB THR 30 HB THR 30 16.407 3.696 8.224 190 HG1 THR 30 1HG THR 30 16.140 3.914 10.536 191 1HG2 THR 30 1HG2 THR 30 13.357 3.469 8.418 192 2HG2 THR 30 2HG2 THR 30 14.238 4.911 7.858 193 3HG2 THR 30 3HG2 THR 30 14.310 3.402 6.917 194 H ALA 31 H ALA 31 13.673 1.697 10.824 195 HA ALA 31 HA ALA 31 12.148 -0.380 9.846 196 1HB ALA 31 1HB ALA 31 12.168 1.295 12.059 197 2HB ALA 31 2HB ALA 31 10.628 1.702 11.265 198 3HB ALA 31 3HB ALA 31 10.971 0.019 11.733 199 H TYR 32 H TYR 32 10.197 -0.493 8.620 200 HA TYR 32 HA TYR 32 9.345 1.948 7.290 201 1HB TYR 32 1HB TYR 32 10.903 -0.358 6.197 202 2HB TYR 32 2HB TYR 32 9.445 -0.014 5.261 203 HD1 TYR 32 1HD TYR 32 12.862 0.699 5.586 204 HD2 TYR 32 2HD TYR 32 9.131 2.591 4.692 205 HE1 TYR 32 1HE TYR 32 14.090 2.565 4.372 206 HE2 TYR 32 2HE TYR 32 10.371 4.451 3.482 207 HH TYR 32 HH TYR 32 12.587 5.461 3.530 208 H ASP 33 H ASP 33 7.477 1.534 8.725 209 HA ASP 33 HA ASP 33 6.075 -0.808 8.737 210 1HB ASP 33 1HB ASP 33 5.710 1.927 9.571 211 2HB ASP 33 2HB ASP 33 4.204 1.378 8.821 212 HD2 ASP 33 HD2 ASP 33 5.287 -0.099 12.333 213 H VAL 34 H VAL 34 4.851 -1.831 7.138 214 HA VAL 34 HA VAL 34 4.645 -0.708 4.570 215 HB VAL 34 HB VAL 34 3.321 -3.084 5.889 216 1HG1 VAL 34 1HG1 VAL 34 3.471 -2.449 2.924 217 2HG1 VAL 34 2HG1 VAL 34 2.715 -3.872 3.681 218 3HG1 VAL 34 3HG1 VAL 34 2.019 -2.252 3.935 219 1HG2 VAL 34 1HG2 VAL 34 5.693 -3.372 5.821 220 2HG2 VAL 34 2HG2 VAL 34 5.010 -4.343 4.495 221 3HG2 VAL 34 3HG2 VAL 34 5.783 -2.778 4.145 222 H GLY 35 H GLY 35 2.649 -0.189 3.375 223 1HA GLY 35 1HA GLY 35 0.490 0.778 5.149 224 2HA GLY 35 2HA GLY 35 1.175 1.783 3.887 225 H GLN 36 H GLN 36 -1.004 1.888 2.932 226 HA GLN 36 HA GLN 36 -1.370 0.519 0.729 227 1HB GLN 36 1HB GLN 36 -1.506 -1.647 1.557 228 2HB GLN 36 2HB GLN 36 -2.346 -1.156 3.039 229 1HG GLN 36 1HG GLN 36 -4.299 -1.699 2.059 230 2HG GLN 36 2HG GLN 36 -4.037 -0.427 0.855 231 1HE2 GLN 36 1HE2 GLN 36 -3.944 -1.021 -1.169 232 2HE2 GLN 36 2HE2 GLN 36 -3.584 -2.600 -1.786 233 H CYS 37 H CYS 37 -2.699 1.985 -0.239 234 HA CYS 37 HA CYS 37 -5.068 2.795 1.276 235 1HB CYS 37 1HB CYS 37 -3.448 4.614 -0.493 236 2HB CYS 37 2HB CYS 37 -4.868 5.051 0.473 237 H ALA 38 H ALA 38 -6.616 3.997 -0.493 238 HA ALA 38 HA ALA 38 -6.471 2.453 -2.983 239 1HB ALA 38 1HB ALA 38 -8.860 2.826 -1.137 240 2HB ALA 38 2HB ALA 38 -8.974 2.204 -2.801 241 3HB ALA 38 3HB ALA 38 -8.060 1.297 -1.572 242 H TRP 39 H TRP 39 -7.032 3.602 -4.835 243 HA TRP 39 HA TRP 39 -7.557 6.449 -4.365 244 1HB TRP 39 1HB TRP 39 -5.602 5.197 -5.850 245 2HB TRP 39 2HB TRP 39 -6.794 5.652 -7.068 246 HD1 TRP 39 HD TRP 39 -7.491 8.411 -5.108 247 HE1 TRP 39 1HE TRP 39 -5.963 10.541 -5.407 248 HE3 TRP 39 3HE TRP 39 -3.621 5.970 -7.327 249 HZ2 TRP 39 2HZ TRP 39 -3.364 10.957 -6.513 250 HZ3 TRP 39 3HZ TRP 39 -1.627 7.312 -7.986 251 HH2 TRP 39 HH TRP 39 -1.460 9.721 -7.611 252 H VAL 40 H VAL 40 -9.725 6.886 -4.470 253 HA VAL 40 HA VAL 40 -11.427 5.174 -6.052 254 HB VAL 40 HB VAL 40 -11.920 7.538 -4.237 255 1HG1 VAL 40 1HG1 VAL 40 -13.608 6.553 -6.299 256 2HG1 VAL 40 2HG1 VAL 40 -14.298 6.008 -4.752 257 3HG1 VAL 40 3HG1 VAL 40 -13.994 7.740 -5.030 258 1HG2 VAL 40 1HG2 VAL 40 -13.208 5.163 -3.356 259 2HG2 VAL 40 2HG2 VAL 40 -11.534 4.729 -3.779 260 3HG2 VAL 40 3HG2 VAL 40 -11.847 6.027 -2.601 261 H ASP 41 H ASP 41 -12.309 8.548 -5.891 262 HA ASP 41 HA ASP 41 -12.112 8.633 -8.761 263 1HB ASP 41 1HB ASP 41 -13.964 9.560 -6.896 264 2HB ASP 41 2HB ASP 41 -13.117 11.043 -7.366 265 HD2 ASP 41 HD2 ASP 41 -14.307 10.595 -10.723 266 H THR 42 H THR 42 -9.618 8.721 -7.230 267 HA THR 42 HA THR 42 -7.696 9.843 -7.205 268 HB THR 42 HB THR 42 -9.278 11.133 -9.349 269 HG1 THR 42 1HG THR 42 -6.414 10.717 -8.884 270 1HG2 THR 42 1HG2 THR 42 -8.623 13.226 -8.160 271 2HG2 THR 42 2HG2 THR 42 -6.951 12.631 -8.031 272 3HG2 THR 42 3HG2 THR 42 -7.639 13.012 -9.627 273 H GLY 43 H GLY 43 -10.351 12.314 -7.014 274 1HA GLY 43 1HA GLY 43 -8.989 13.932 -5.150 275 2HA GLY 43 2HA GLY 43 -10.701 13.962 -5.524 276 H VAL 44 H VAL 44 -10.611 10.855 -4.838 277 HA VAL 44 HA VAL 44 -10.691 11.253 -1.926 278 HB VAL 44 HB VAL 44 -12.444 9.348 -3.465 279 1HG1 VAL 44 1HG1 VAL 44 -11.982 9.259 -0.892 280 2HG1 VAL 44 2HG1 VAL 44 -13.087 10.653 -0.830 281 3HG1 VAL 44 3HG1 VAL 44 -13.649 9.100 -1.496 282 1HG2 VAL 44 1HG2 VAL 44 -12.612 12.251 -3.404 283 2HG2 VAL 44 2HG2 VAL 44 -13.573 11.073 -4.329 284 3HG2 VAL 44 3HG2 VAL 44 -14.048 11.501 -2.667 285 H LEU 45 H LEU 45 -9.262 10.013 -0.829 286 HA LEU 45 HA LEU 45 -8.413 7.522 -2.128 287 1HB LEU 45 1HB LEU 45 -6.844 9.683 -2.015 288 2HB LEU 45 2HB LEU 45 -6.463 8.974 -0.435 289 HG LEU 45 HG LEU 45 -6.311 7.394 -3.006 290 1HD1 LEU 45 1HD1 LEU 45 -4.888 9.382 -3.249 291 2HD1 LEU 45 2HD1 LEU 45 -4.064 8.973 -1.726 292 3HD1 LEU 45 3HD1 LEU 45 -3.932 7.885 -3.128 293 1HD2 LEU 45 1HD2 LEU 45 -4.463 6.760 -0.833 294 2HD2 LEU 45 2HD2 LEU 45 -6.172 6.613 -0.362 295 3HD2 LEU 45 3HD2 LEU 45 -5.554 5.705 -1.763 296 H ALA 46 H ALA 46 -8.868 5.768 -0.916 297 HA ALA 46 HA ALA 46 -9.487 6.236 1.903 298 1HB ALA 46 1HB ALA 46 -11.029 4.568 1.695 299 2HB ALA 46 2HB ALA 46 -10.904 4.955 -0.038 300 3HB ALA 46 3HB ALA 46 -9.982 3.590 0.638 301 H CYS 47 H CYS 47 -7.484 6.272 2.937 302 HA CYS 47 HA CYS 47 -5.452 4.430 2.234 303 1HB CYS 47 1HB CYS 47 -5.801 6.679 4.026 304 2HB CYS 47 2HB CYS 47 -4.863 5.380 4.780 305 H ASN 48 H ASN 48 -4.606 2.721 3.733 306 HA ASN 48 HA ASN 48 -6.816 1.581 5.253 307 1HB ASN 48 1HB ASN 48 -5.798 0.344 3.195 308 2HB ASN 48 2HB ASN 48 -4.393 0.039 4.227 309 1HD2 ASN 48 1HD2 ASN 48 -5.961 -1.967 3.118 310 2HD2 ASN 48 2HD2 ASN 48 -6.795 -2.829 4.366 311 HA PRO 49 HA PRO 49 -3.636 2.562 8.315 312 1HB PRO 49 1HB PRO 49 -5.341 3.236 10.342 313 2HB PRO 49 2HB PRO 49 -4.694 4.409 9.195 314 1HG PRO 49 1HG PRO 49 -7.370 3.176 9.344 315 2HG PRO 49 2HG PRO 49 -6.877 4.689 8.501 316 1HD PRO 49 1HD PRO 49 -7.461 2.127 7.362 317 2HD PRO 49 2HD PRO 49 -6.822 3.541 6.510 318 H ALA 50 H ALA 50 -4.546 -0.043 7.536 319 HA ALA 50 HA ALA 50 -4.254 -1.268 10.180 320 1HB ALA 50 1HB ALA 50 -6.136 -2.353 8.063 321 2HB ALA 50 2HB ALA 50 -6.018 -2.809 9.780 322 3HB ALA 50 3HB ALA 50 -6.681 -1.221 9.323 323 H ASP 51 H ASP 51 -2.832 -0.628 7.338 324 HA ASP 51 HA ASP 51 -2.242 -2.788 5.968 325 1HB ASP 51 1HB ASP 51 0.240 -1.887 6.043 326 2HB ASP 51 2HB ASP 51 -1.035 -0.890 5.325 327 HD2 ASP 51 HD2 ASP 51 -0.531 1.607 7.609 328 H PHE 52 H PHE 52 -0.842 -1.883 9.192 329 HA PHE 52 HA PHE 52 0.084 -3.086 10.794 330 1HB PHE 52 1HB PHE 52 -1.644 -4.891 9.311 331 2HB PHE 52 2HB PHE 52 -0.187 -5.791 9.742 332 HD1 PHE 52 1HD PHE 52 -2.422 -3.309 11.434 333 HD2 PHE 52 2HD PHE 52 -0.431 -7.051 11.644 334 HE1 PHE 52 1HE PHE 52 -3.350 -3.674 13.737 335 HE2 PHE 52 2HE PHE 52 -1.360 -7.415 13.947 336 HZ PHE 52 HZ PHE 52 -2.808 -5.722 14.966 337 H SER 53 H SER 53 0.664 -4.936 7.710 338 HA SER 53 HA SER 53 2.959 -6.064 8.117 339 1HB SER 53 1HB SER 53 1.914 -4.517 5.780 340 2HB SER 53 2HB SER 53 3.608 -5.037 5.700 341 HG SER 53 HG SER 53 1.501 -6.872 6.404 342 H SER 54 H SER 54 5.241 -5.575 8.159 343 HA SER 54 HA SER 54 6.017 -2.831 8.021 344 1HB SER 54 1HB SER 54 7.069 -2.861 10.304 345 2HB SER 54 2HB SER 54 5.296 -2.860 10.336 346 HG SER 54 HG SER 54 5.568 -4.548 11.633 347 H VAL 55 H VAL 55 8.264 -2.633 7.560 348 HA VAL 55 HA VAL 55 9.876 -5.045 7.782 349 HB VAL 55 HB VAL 55 8.610 -4.757 5.497 350 1HG1 VAL 55 1HG1 VAL 55 9.550 -2.356 5.324 351 2HG1 VAL 55 2HG1 VAL 55 11.077 -3.139 4.852 352 3HG1 VAL 55 3HG1 VAL 55 9.609 -3.389 3.876 353 1HG2 VAL 55 1HG2 VAL 55 9.950 -6.564 5.362 354 2HG2 VAL 55 2HG2 VAL 55 11.041 -5.481 4.466 355 3HG2 VAL 55 3HG2 VAL 55 11.294 -5.757 6.206 356 H THR 56 H THR 56 12.095 -4.017 6.294 357 HA THR 56 HA THR 56 12.654 -1.440 7.557 358 HB THR 56 HB THR 56 13.724 -4.085 8.345 359 HG1 THR 56 1HG THR 56 13.438 -2.847 10.156 360 1HG2 THR 56 1HG2 THR 56 16.033 -3.445 8.584 361 2HG2 THR 56 2HG2 THR 56 15.635 -3.077 6.888 362 3HG2 THR 56 3HG2 THR 56 15.694 -1.768 8.093 363 H ALA 57 H ALA 57 14.885 -0.612 6.763 364 HA ALA 57 HA ALA 57 14.828 -0.969 3.874 365 1HB ALA 57 1HB ALA 57 16.697 0.998 5.012 366 2HB ALA 57 2HB ALA 57 15.407 1.215 3.806 367 3HB ALA 57 3HB ALA 57 15.016 1.244 5.542 368 H ASP 58 H ASP 58 16.953 -1.114 2.699 369 HA ASP 58 HA ASP 58 18.806 -2.697 4.302 370 1HB ASP 58 1HB ASP 58 19.425 -3.674 1.974 371 2HB ASP 58 2HB ASP 58 17.913 -4.212 2.720 372 HD2 ASP 58 HD2 ASP 58 16.628 -3.524 -0.406 373 H ALA 59 H ALA 59 20.783 -1.641 4.526 374 HA ALA 59 HA ALA 59 22.215 0.093 4.270 375 1HB ALA 59 1HB ALA 59 23.519 -0.305 2.066 376 2HB ALA 59 2HB ALA 59 23.408 -1.655 3.220 377 3HB ALA 59 3HB ALA 59 22.362 -1.628 1.781 378 H ASN 60 H ASN 60 21.451 -0.039 0.772 379 HA ASN 60 HA ASN 60 21.505 2.544 0.272 380 1HB ASN 60 1HB ASN 60 20.235 0.215 -0.923 381 2HB ASN 60 2HB ASN 60 19.209 1.633 -1.181 382 1HD2 ASN 60 1HD2 ASN 60 19.598 1.706 -3.361 383 2HD2 ASN 60 2HD2 ASN 60 21.104 2.204 -4.057 384 H GLY 61 H GLY 61 18.658 0.675 1.523 385 1HA GLY 61 1HA GLY 61 17.398 1.891 3.275 386 2HA GLY 61 2HA GLY 61 17.332 3.244 2.161 387 H SER 62 H SER 62 17.252 0.378 0.335 388 HA SER 62 HA SER 62 14.484 0.795 -0.197 389 1HB SER 62 1HB SER 62 15.343 0.220 -2.202 390 2HB SER 62 2HB SER 62 16.771 -0.543 -1.478 391 HG SER 62 HG SER 62 15.867 -2.423 -1.921 392 H ALA 63 H ALA 63 12.759 -0.662 0.242 393 HA ALA 63 HA ALA 63 13.270 -2.456 2.436 394 1HB ALA 63 1HB ALA 63 11.232 -0.794 1.864 395 2HB ALA 63 2HB ALA 63 10.599 -2.272 1.101 396 3HB ALA 63 3HB ALA 63 11.015 -2.272 2.831 397 H SER 64 H SER 64 12.381 -4.728 2.392 398 HA SER 64 HA SER 64 12.047 -5.883 -0.183 399 1HB SER 64 1HB SER 64 13.946 -7.487 0.044 400 2HB SER 64 2HB SER 64 14.487 -5.810 -0.160 401 HG SER 64 HG SER 64 15.211 -7.492 1.753 402 H THR 65 H THR 65 10.202 -7.019 0.346 403 HA THR 65 HA THR 65 10.283 -9.294 1.907 404 HB THR 65 HB THR 65 10.468 -7.179 3.621 405 HG1 THR 65 1HG THR 65 9.606 -8.805 5.098 406 1HG2 THR 65 1HG2 THR 65 7.488 -7.768 3.225 407 2HG2 THR 65 2HG2 THR 65 8.162 -6.983 4.673 408 3HG2 THR 65 3HG2 THR 65 8.279 -6.180 3.089 409 H SER 66 H SER 66 7.952 -10.088 2.437 410 HA SER 66 HA SER 66 6.487 -9.569 0.031 411 1HB SER 66 1HB SER 66 5.648 -11.421 2.278 412 2HB SER 66 2HB SER 66 5.251 -11.544 0.554 413 HG SER 66 HG SER 66 7.096 -12.587 0.198 414 H LEU 67 H LEU 67 4.722 -8.218 -0.112 415 HA LEU 67 HA LEU 67 3.535 -7.359 2.435 416 1HB LEU 67 1HB LEU 67 4.379 -5.886 0.006 417 2HB LEU 67 2HB LEU 67 2.901 -5.340 0.818 418 HG LEU 67 HG LEU 67 4.133 -4.953 2.870 419 1HD1 LEU 67 1HD1 LEU 67 6.149 -6.617 1.564 420 2HD1 LEU 67 2HD1 LEU 67 6.827 -5.136 2.284 421 3HD1 LEU 67 3HD1 LEU 67 5.886 -6.264 3.289 422 1HD2 LEU 67 1HD2 LEU 67 5.825 -3.707 0.713 423 2HD2 LEU 67 2HD2 LEU 67 4.108 -3.280 0.904 424 3HD2 LEU 67 3HD2 LEU 67 5.245 -3.007 2.244 425 H THR 68 H THR 68 1.280 -7.330 2.610 426 HA THR 68 HA THR 68 -0.066 -9.044 0.721 427 HB THR 68 HB THR 68 -0.373 -9.264 3.186 428 HG1 THR 68 1HG THR 68 -2.593 -8.132 1.633 429 1HG2 THR 68 1HG2 THR 68 -2.032 -6.736 3.164 430 2HG2 THR 68 2HG2 THR 68 -1.264 -7.563 4.540 431 3HG2 THR 68 3HG2 THR 68 -0.278 -6.582 3.430 432 H VAL 69 H VAL 69 -0.650 -8.239 -1.206 433 HA VAL 69 HA VAL 69 -1.282 -5.466 -1.482 434 HB VAL 69 HB VAL 69 -1.761 -7.672 -3.479 435 1HG1 VAL 69 1HG1 VAL 69 -2.426 -5.912 -4.697 436 2HG1 VAL 69 2HG1 VAL 69 -1.784 -4.748 -3.514 437 3HG1 VAL 69 3HG1 VAL 69 -0.711 -5.439 -4.756 438 1HG2 VAL 69 1HG2 VAL 69 0.678 -7.255 -2.218 439 2HG2 VAL 69 2HG2 VAL 69 0.426 -8.045 -3.793 440 3HG2 VAL 69 3HG2 VAL 69 0.817 -6.310 -3.721 441 H ARG 70 H ARG 70 -2.961 -5.768 0.389 442 HA ARG 70 HA ARG 70 -5.231 -7.161 0.144 443 1HB ARG 70 1HB ARG 70 -5.012 -4.274 1.112 444 2HB ARG 70 2HB ARG 70 -6.293 -5.411 1.563 445 1HG ARG 70 1HG ARG 70 -4.996 -6.357 3.154 446 2HG ARG 70 2HG ARG 70 -3.625 -6.536 2.044 447 1HD ARG 70 1HD ARG 70 -4.207 -3.756 2.956 448 2HD ARG 70 2HD ARG 70 -3.636 -4.858 4.216 449 HE ARG 70 HE ARG 70 -2.148 -4.523 1.634 450 1HH1 ARG 70 1HH1 ARG 70 -2.225 -4.532 5.151 451 2HH1 ARG 70 2HH1 ARG 70 -0.510 -4.355 5.318 452 1HH2 ARG 70 1HH2 ARG 70 0.115 -4.290 1.852 453 2HH2 ARG 70 2HH2 ARG 70 0.830 -4.217 3.428 454 H ARG 71 H ARG 71 -7.257 -6.931 -0.922 455 HA ARG 71 HA ARG 71 -7.223 -4.900 -3.003 456 1HB ARG 71 1HB ARG 71 -7.309 -7.128 -3.940 457 2HB ARG 71 2HB ARG 71 -8.600 -7.622 -2.833 458 1HG ARG 71 1HG ARG 71 -10.031 -5.793 -3.913 459 2HG ARG 71 2HG ARG 71 -8.768 -5.646 -5.149 460 1HD ARG 71 1HD ARG 71 -9.805 -7.325 -6.250 461 2HD ARG 71 2HD ARG 71 -9.273 -8.419 -4.964 462 HE ARG 71 HE ARG 71 -11.650 -7.034 -4.138 463 1HH1 ARG 71 1HH1 ARG 71 -10.597 -9.557 -6.354 464 2HH1 ARG 71 2HH1 ARG 71 -12.125 -10.373 -6.352 465 1HH2 ARG 71 1HH2 ARG 71 -13.665 -8.111 -4.134 466 2HH2 ARG 71 2HH2 ARG 71 -13.882 -9.546 -5.081 467 H SER 72 H SER 72 -9.819 -6.895 -1.411 468 HA SER 72 HA SER 72 -11.460 -4.542 -1.324 469 1HB SER 72 1HB SER 72 -13.272 -5.986 -0.998 470 2HB SER 72 2HB SER 72 -12.178 -6.975 -1.981 471 HG SER 72 HG SER 72 -11.398 -7.882 0.110 472 H PHE 73 H PHE 73 -11.435 -3.196 0.435 473 HA PHE 73 HA PHE 73 -11.417 -4.345 3.068 474 1HB PHE 73 1HB PHE 73 -9.363 -3.197 3.749 475 2HB PHE 73 2HB PHE 73 -8.967 -4.099 2.282 476 HD1 PHE 73 1HD PHE 73 -9.079 -0.877 3.850 477 HD2 PHE 73 2HD PHE 73 -8.916 -2.833 0.087 478 HE1 PHE 73 1HE PHE 73 -8.258 1.242 2.784 479 HE2 PHE 73 2HE PHE 73 -8.094 -0.715 -0.979 480 HZ PHE 73 HZ PHE 73 -7.774 1.297 0.382 481 H GLU 74 H GLU 74 -11.027 -2.146 4.640 482 HA GLU 74 HA GLU 74 -12.994 -0.287 3.549 483 1HB GLU 74 1HB GLU 74 -14.013 -1.372 5.385 484 2HB GLU 74 2HB GLU 74 -12.536 -1.325 6.364 485 1HG GLU 74 1HG GLU 74 -13.620 1.310 5.473 486 2HG GLU 74 2HG GLU 74 -14.608 0.435 6.651 487 HE2 GLU 74 HE2 GLU 74 -11.665 0.465 8.836 488 H GLY 75 H GLY 75 -11.607 1.268 2.647 489 1HA GLY 75 1HA GLY 75 -9.430 2.306 4.305 490 2HA GLY 75 2HA GLY 75 -9.713 2.615 2.604 491 H PHE 76 H PHE 76 -9.261 4.532 4.877 492 HA PHE 76 HA PHE 76 -11.843 5.923 4.801 493 1HB PHE 76 1HB PHE 76 -11.250 6.731 6.950 494 2HB PHE 76 2HB PHE 76 -10.456 5.152 6.977 495 HD1 PHE 76 1HD PHE 76 -8.007 5.412 5.636 496 HD2 PHE 76 2HD PHE 76 -9.998 8.350 7.962 497 HE1 PHE 76 1HE PHE 76 -5.811 6.541 6.088 498 HE2 PHE 76 2HE PHE 76 -7.802 9.480 8.415 499 HZ PHE 76 HZ PHE 76 -5.735 8.562 7.473 500 H LEU 77 H LEU 77 -11.969 8.028 4.010 501 HA LEU 77 HA LEU 77 -10.400 8.886 2.039 502 1HB LEU 77 1HB LEU 77 -12.086 10.266 4.053 503 2HB LEU 77 2HB LEU 77 -11.069 11.268 3.001 504 HG LEU 77 HG LEU 77 -12.157 10.313 1.030 505 1HD1 LEU 77 1HD1 LEU 77 -14.076 8.855 2.849 506 2HD1 LEU 77 2HD1 LEU 77 -13.884 8.718 1.084 507 3HD1 LEU 77 3HD1 LEU 77 -12.624 8.080 2.169 508 1HD2 LEU 77 1HD2 LEU 77 -13.091 12.336 2.032 509 2HD2 LEU 77 2HD2 LEU 77 -14.367 11.328 1.307 510 3HD2 LEU 77 3HD2 LEU 77 -14.143 11.347 3.072 511 H PHE 78 H PHE 78 -9.985 10.118 5.438 512 HA PHE 78 HA PHE 78 -7.410 9.639 5.848 513 1HB PHE 78 1HB PHE 78 -6.476 10.661 3.956 514 2HB PHE 78 2HB PHE 78 -7.865 11.732 3.733 515 HD1 PHE 78 1HD PHE 78 -8.007 13.829 5.052 516 HD2 PHE 78 2HD PHE 78 -4.560 11.357 5.168 517 HE1 PHE 78 1HE PHE 78 -6.679 15.726 6.019 518 HE2 PHE 78 2HE PHE 78 -3.232 13.254 6.135 519 HZ PHE 78 HZ PHE 78 -4.307 15.416 6.549 520 H ASP 79 H ASP 79 -10.052 11.986 5.879 521 HA ASP 79 HA ASP 79 -9.985 12.308 8.577 522 1HB ASP 79 1HB ASP 79 -7.799 13.592 7.743 523 2HB ASP 79 2HB ASP 79 -8.956 14.878 7.367 524 HD2 ASP 79 HD2 ASP 79 -8.995 15.885 10.624 525 H GLY 80 H GLY 80 -12.162 11.901 7.270 526 1HA GLY 80 1HA GLY 80 -13.742 14.243 7.414 527 2HA GLY 80 2HA GLY 80 -13.378 13.878 5.739 528 H THR 81 H THR 81 -13.423 11.175 5.475 529 HA THR 81 HA THR 81 -15.676 10.053 6.880 530 HB THR 81 HB THR 81 -15.852 11.209 4.105 531 HG1 THR 81 1HG THR 81 -17.250 12.134 5.593 532 1HG2 THR 81 1HG2 THR 81 -16.146 8.712 3.750 533 2HG2 THR 81 2HG2 THR 81 -17.406 8.727 5.007 534 3HG2 THR 81 3HG2 THR 81 -17.648 9.633 3.494 535 H ARG 82 H ARG 82 -16.125 7.768 6.065 536 HA ARG 82 HA ARG 82 -13.597 6.678 5.116 537 1HB ARG 82 1HB ARG 82 -13.928 4.742 6.568 538 2HB ARG 82 2HB ARG 82 -14.053 6.208 7.558 539 1HG ARG 82 1HG ARG 82 -16.524 6.083 7.416 540 2HG ARG 82 2HG ARG 82 -16.403 4.621 6.419 541 1HD ARG 82 1HD ARG 82 -15.954 3.296 8.224 542 2HD ARG 82 2HD ARG 82 -14.889 4.494 8.976 543 HE ARG 82 HE ARG 82 -16.702 5.146 10.282 544 1HH1 ARG 82 1HH1 ARG 82 -17.934 3.707 7.317 545 2HH1 ARG 82 2HH1 ARG 82 -19.595 3.848 7.787 546 1HH2 ARG 82 1HH2 ARG 82 -18.893 5.333 10.903 547 2HH2 ARG 82 2HH2 ARG 82 -20.145 4.779 9.841 548 H TRP 83 H TRP 83 -13.740 4.907 3.610 549 HA TRP 83 HA TRP 83 -16.138 4.877 2.079 550 1HB TRP 83 1HB TRP 83 -13.448 3.598 1.920 551 2HB TRP 83 2HB TRP 83 -14.767 2.922 0.963 552 HD1 TRP 83 HD TRP 83 -12.336 5.825 1.012 553 HE1 TRP 83 1HE TRP 83 -12.612 7.394 -1.093 554 HE3 TRP 83 3HE TRP 83 -16.698 3.771 -0.603 555 HZ2 TRP 83 2HZ TRP 83 -14.579 7.596 -3.149 556 HZ3 TRP 83 3HZ TRP 83 -17.731 4.712 -2.667 557 HH2 TRP 83 HH TRP 83 -16.743 6.558 -3.928 558 H GLY 84 H GLY 84 -14.610 1.760 2.531 559 1HA GLY 84 1HA GLY 84 -15.849 0.638 4.680 560 2HA GLY 84 2HA GLY 84 -17.083 0.609 3.436 561 H THR 85 H THR 85 -16.355 -1.836 4.264 562 HA THR 85 HA THR 85 -14.072 -2.922 3.019 563 HB THR 85 HB THR 85 -16.685 -4.127 4.069 564 HG1 THR 85 1HG THR 85 -15.536 -3.461 5.855 565 1HG2 THR 85 1HG2 THR 85 -15.580 -6.261 4.112 566 2HG2 THR 85 2HG2 THR 85 -15.263 -5.634 2.476 567 3HG2 THR 85 3HG2 THR 85 -14.000 -5.536 3.726 568 H VAL 86 H VAL 86 -14.402 -1.673 0.919 569 HA VAL 86 HA VAL 86 -16.168 -3.229 -0.838 570 HB VAL 86 HB VAL 86 -16.577 -0.764 -0.541 571 1HG1 VAL 86 1HG1 VAL 86 -14.720 0.303 -2.361 572 2HG1 VAL 86 2HG1 VAL 86 -14.824 0.618 -0.612 573 3HG1 VAL 86 3HG1 VAL 86 -13.758 -0.672 -1.223 574 1HG2 VAL 86 1HG2 VAL 86 -17.197 -2.218 -2.571 575 2HG2 VAL 86 2HG2 VAL 86 -17.198 -0.451 -2.789 576 3HG2 VAL 86 3HG2 VAL 86 -15.835 -1.422 -3.397 577 H ASP 87 H ASP 87 -15.277 -3.456 -3.144 578 HA ASP 87 HA ASP 87 -12.698 -4.598 -2.885 579 1HB ASP 87 1HB ASP 87 -13.934 -4.165 -5.578 580 2HB ASP 87 2HB ASP 87 -13.158 -5.616 -4.927 581 HD2 ASP 87 HD2 ASP 87 -16.265 -6.465 -3.322 582 H CYS 88 H CYS 88 -10.859 -3.301 -3.017 583 HA CYS 88 HA CYS 88 -10.954 -0.696 -4.051 584 1HB CYS 88 1HB CYS 88 -8.798 -0.479 -3.373 585 2HB CYS 88 2HB CYS 88 -9.371 -1.766 -2.296 586 H THR 89 H THR 89 -10.291 -3.920 -5.376 587 HA THR 89 HA THR 89 -8.764 -3.379 -7.575 588 HB THR 89 HB THR 89 -9.283 -5.651 -7.131 589 HG1 THR 89 1HG THR 89 -9.527 -5.202 -9.411 590 1HG2 THR 89 1HG2 THR 89 -11.239 -5.636 -5.760 591 2HG2 THR 89 2HG2 THR 89 -12.152 -4.652 -6.929 592 3HG2 THR 89 3HG2 THR 89 -11.813 -6.363 -7.280 593 H THR 90 H THR 90 -12.016 -2.267 -6.902 594 HA THR 90 HA THR 90 -12.668 -1.755 -9.645 595 HB THR 90 HB THR 90 -13.877 -1.525 -6.942 596 HG1 THR 90 1HG THR 90 -14.622 -3.031 -8.523 597 1HG2 THR 90 1HG2 THR 90 -13.996 0.888 -7.579 598 2HG2 THR 90 2HG2 THR 90 -14.633 0.432 -9.178 599 3HG2 THR 90 3HG2 THR 90 -15.597 0.124 -7.713 600 H ALA 91 H ALA 91 -10.822 -0.134 -7.139 601 HA ALA 91 HA ALA 91 -10.630 2.179 -8.943 602 1HB ALA 91 1HB ALA 91 -11.788 2.240 -6.473 603 2HB ALA 91 2HB ALA 91 -10.094 2.581 -6.047 604 3HB ALA 91 3HB ALA 91 -10.947 3.625 -7.210 605 H ALA 92 H ALA 92 -9.124 -0.556 -8.245 606 HA ALA 92 HA ALA 92 -7.024 -1.245 -7.923 607 1HB ALA 92 1HB ALA 92 -5.948 -0.774 -9.847 608 2HB ALA 92 2HB ALA 92 -7.259 0.381 -10.189 609 3HB ALA 92 3HB ALA 92 -5.763 0.940 -9.405 610 H CYS 93 H CYS 93 -6.708 -0.978 -5.680 611 HA CYS 93 HA CYS 93 -6.037 1.536 -4.588 612 1HB CYS 93 1HB CYS 93 -5.270 0.019 -2.641 613 2HB CYS 93 2HB CYS 93 -6.993 0.158 -3.032 614 H GLN 94 H GLN 94 -3.788 1.082 -2.976 615 HA GLN 94 HA GLN 94 -1.702 0.179 -4.750 616 1HB GLN 94 1HB GLN 94 -0.385 2.273 -4.382 617 2HB GLN 94 2HB GLN 94 -1.855 2.540 -5.335 618 1HG GLN 94 1HG GLN 94 -2.131 2.827 -2.377 619 2HG GLN 94 2HG GLN 94 -1.140 4.057 -3.175 620 1HE2 GLN 94 1HE2 GLN 94 -2.532 5.726 -2.920 621 2HE2 GLN 94 2HE2 GLN 94 -4.071 5.856 -3.706 622 H VAL 95 H VAL 95 0.299 -0.336 -3.619 623 HA VAL 95 HA VAL 95 0.015 -0.283 -0.697 624 HB VAL 95 HB VAL 95 0.983 -2.553 -2.447 625 1HG1 VAL 95 1HG1 VAL 95 2.372 -2.531 -0.504 626 2HG1 VAL 95 2HG1 VAL 95 0.986 -2.213 0.566 627 3HG1 VAL 95 3HG1 VAL 95 1.140 -3.790 -0.244 628 1HG2 VAL 95 1HG2 VAL 95 -1.594 -1.946 -1.923 629 2HG2 VAL 95 2HG2 VAL 95 -0.996 -3.613 -2.104 630 3HG2 VAL 95 3HG2 VAL 95 -1.217 -2.918 -0.481 631 H GLY 96 H GLY 96 1.571 1.009 0.125 632 1HA GLY 96 1HA GLY 96 4.239 0.890 -1.139 633 2HA GLY 96 2HA GLY 96 3.480 2.419 -0.743 634 H LEU 97 H LEU 97 6.003 1.492 0.338 635 HA LEU 97 HA LEU 97 5.352 0.688 3.055 636 1HB LEU 97 1HB LEU 97 7.797 0.768 1.360 637 2HB LEU 97 2HB LEU 97 7.983 0.833 3.121 638 HG LEU 97 HG LEU 97 6.193 -1.289 2.556 639 1HD1 LEU 97 1HD1 LEU 97 8.261 -0.958 0.474 640 2HD1 LEU 97 2HD1 LEU 97 8.152 -2.581 1.196 641 3HD1 LEU 97 3HD1 LEU 97 6.718 -1.844 0.440 642 1HD2 LEU 97 1HD2 LEU 97 7.920 -0.969 4.405 643 2HD2 LEU 97 2HD2 LEU 97 7.744 -2.607 3.731 644 3HD2 LEU 97 3HD2 LEU 97 9.118 -1.586 3.242 645 H SER 98 H SER 98 6.074 1.928 4.914 646 HA SER 98 HA SER 98 6.649 4.702 4.267 647 1HB SER 98 1HB SER 98 5.100 4.987 6.499 648 2HB SER 98 2HB SER 98 4.491 5.171 4.844 649 HG SER 98 HG SER 98 3.285 3.427 5.123 650 H ASP 99 H ASP 99 7.929 5.806 5.885 651 HA ASP 99 HA ASP 99 9.254 3.926 7.642 652 1HB ASP 99 1HB ASP 99 10.455 6.515 7.767 653 2HB ASP 99 2HB ASP 99 11.108 5.057 7.003 654 HD2 ASP 99 HD2 ASP 99 11.033 6.812 4.073 655 H ALA 100 H ALA 100 10.103 5.206 9.796 656 HA ALA 100 HA ALA 100 7.690 6.219 11.043 657 1HB ALA 100 1HB ALA 100 9.393 6.129 13.065 658 2HB ALA 100 2HB ALA 100 8.703 4.628 12.403 659 3HB ALA 100 3HB ALA 100 10.349 5.129 11.945 660 H ALA 101 H ALA 101 8.859 7.893 8.990 661 HA ALA 101 HA ALA 101 9.056 10.294 10.486 662 1HB ALA 101 1HB ALA 101 11.543 8.942 9.524 663 2HB ALA 101 2HB ALA 101 11.422 10.697 9.259 664 3HB ALA 101 3HB ALA 101 11.297 10.036 10.907 665 H GLY 102 H GLY 102 9.597 8.493 7.415 666 1HA GLY 102 1HA GLY 102 9.040 10.813 5.789 667 2HA GLY 102 2HA GLY 102 9.330 9.170 5.255 668 H ASN 103 H ASN 103 7.440 7.592 6.372 669 HA ASN 103 HA ASN 103 5.418 6.914 5.855 670 1HB ASN 103 1HB ASN 103 3.870 7.731 7.379 671 2HB ASN 103 2HB ASN 103 5.310 8.527 8.030 672 1HD2 ASN 103 1HD2 ASN 103 2.188 8.920 6.991 673 2HD2 ASN 103 2HD2 ASN 103 2.151 10.627 6.707 674 H GLY 104 H GLY 104 2.941 8.336 5.353 675 1HA GLY 104 1HA GLY 104 1.949 9.858 3.903 676 2HA GLY 104 2HA GLY 104 3.488 10.137 3.111 677 HA PRO 105 HA PRO 105 1.023 7.089 0.690 678 1HB PRO 105 1HB PRO 105 0.336 8.644 -1.448 679 2HB PRO 105 2HB PRO 105 -0.744 8.344 -0.089 680 1HG PRO 105 1HG PRO 105 0.854 10.734 -0.749 681 2HG PRO 105 2HG PRO 105 -0.579 10.605 0.332 682 1HD PRO 105 1HD PRO 105 2.181 10.863 1.056 683 2HD PRO 105 2HD PRO 105 0.825 10.580 2.153 684 H GLU 106 H GLU 106 1.574 5.945 -1.270 685 HA GLU 106 HA GLU 106 4.270 6.753 -2.027 686 1HB GLU 106 1HB GLU 106 2.945 4.106 -1.597 687 2HB GLU 106 2HB GLU 106 4.170 4.189 -2.877 688 1HG GLU 106 1HG GLU 106 5.136 3.529 -0.682 689 2HG GLU 106 2HG GLU 106 5.822 5.055 -1.262 690 HE2 GLU 106 HE2 GLU 106 4.542 6.800 1.423 691 H GLY 107 H GLY 107 1.523 4.820 -3.443 692 1HA GLY 107 1HA GLY 107 0.352 5.784 -5.348 693 2HA GLY 107 2HA GLY 107 1.896 6.360 -5.943 694 H VAL 108 H VAL 108 1.949 3.240 -4.350 695 HA VAL 108 HA VAL 108 2.729 1.988 -6.798 696 HB VAL 108 HB VAL 108 2.501 1.222 -3.913 697 1HG1 VAL 108 1HG1 VAL 108 2.232 -0.615 -6.188 698 2HG1 VAL 108 2HG1 VAL 108 3.574 -1.033 -5.095 699 3HG1 VAL 108 3HG1 VAL 108 1.919 -0.879 -4.456 700 1HG2 VAL 108 1HG2 VAL 108 4.848 0.776 -5.750 701 2HG2 VAL 108 2HG2 VAL 108 4.508 2.392 -5.087 702 3HG2 VAL 108 3HG2 VAL 108 4.822 1.027 -3.988 703 H ALA 109 H ALA 109 0.674 2.486 -7.976 704 HA ALA 109 HA ALA 109 -1.745 1.304 -7.123 705 1HB ALA 109 1HB ALA 109 -1.957 1.634 -9.856 706 2HB ALA 109 2HB ALA 109 -2.274 2.899 -8.642 707 3HB ALA 109 3HB ALA 109 -0.682 2.803 -9.433 708 H ILE 110 H ILE 110 -2.087 -0.850 -6.926 709 HA ILE 110 HA ILE 110 -0.727 -2.578 -8.873 710 HB ILE 110 HB ILE 110 -1.492 -2.978 -5.993 711 1HG1 ILE 110 1HG1 ILE 110 1.114 -3.850 -7.061 712 2HG1 ILE 110 2HG1 ILE 110 0.830 -2.101 -7.111 713 1HG2 ILE 110 1HG2 ILE 110 -1.358 -4.992 -8.149 714 2HG2 ILE 110 2HG2 ILE 110 -0.420 -5.374 -6.686 715 3HG2 ILE 110 3HG2 ILE 110 -2.165 -5.047 -6.564 716 1HD1 ILE 110 1HD1 ILE 110 0.565 -3.904 -4.660 717 2HD1 ILE 110 2HD1 ILE 110 1.889 -2.758 -4.978 718 3HD1 ILE 110 3HD1 ILE 110 0.240 -2.154 -4.686 719 H SER 111 H SER 111 -1.933 -4.251 -9.896 720 HA SER 111 HA SER 111 -4.709 -3.554 -10.106 721 1HB SER 111 1HB SER 111 -2.747 -4.559 -11.858 722 2HB SER 111 2HB SER 111 -3.894 -5.895 -11.656 723 HG SER 111 HG SER 111 -4.146 -3.745 -13.225 724 H PHE 112 H PHE 112 -6.030 -4.397 -8.519 725 HA PHE 112 HA PHE 112 -5.417 -7.063 -7.519 726 1HB PHE 112 1HB PHE 112 -7.496 -4.948 -6.720 727 2HB PHE 112 2HB PHE 112 -7.068 -6.367 -5.759 728 HD1 PHE 112 1HD PHE 112 -5.397 -6.197 -4.147 729 HD2 PHE 112 2HD PHE 112 -5.631 -3.243 -7.183 730 HE1 PHE 112 1HE PHE 112 -3.640 -4.847 -2.967 731 HE2 PHE 112 2HE PHE 112 -3.873 -1.893 -6.005 732 HZ PHE 112 HZ PHE 112 -2.899 -2.711 -3.912 733 H ASN 113 H ASN 113 -6.676 -8.848 -7.931 734 HA ASN 113 HA ASN 113 -9.363 -8.719 -8.521 735 1HB ASN 113 1HB ASN 113 -8.894 -7.785 -10.678 736 2HB ASN 113 2HB ASN 113 -7.498 -8.844 -10.932 737 1HD2 ASN 113 1HD2 ASN 113 -10.648 -8.271 -11.708 738 2HD2 ASN 113 2HD2 ASN 113 -11.148 -9.836 -12.257 Start of MODEL 23 1 H ALA 1 H ALA 1 7.660 13.399 0.250 2 HA ALA 1 HA ALA 1 9.165 14.027 -1.300 3 1HB ALA 1 1HB ALA 1 10.017 15.459 0.272 4 2HB ALA 1 2HB ALA 1 10.354 14.153 1.434 5 3HB ALA 1 3HB ALA 1 11.462 14.439 0.071 6 H ALA 2 H ALA 2 9.856 11.074 0.465 7 HA ALA 2 HA ALA 2 12.188 10.383 -1.013 8 1HB ALA 2 1HB ALA 2 12.263 8.625 0.433 9 2HB ALA 2 2HB ALA 2 11.028 9.550 1.320 10 3HB ALA 2 3HB ALA 2 10.538 8.242 0.216 11 HA PRO 3 HA PRO 3 10.399 8.283 -4.370 12 1HB PRO 3 1HB PRO 3 11.362 5.726 -4.389 13 2HB PRO 3 2HB PRO 3 12.301 7.114 -4.933 14 1HG PRO 3 1HG PRO 3 12.464 5.580 -2.418 15 2HG PRO 3 2HG PRO 3 13.706 6.651 -3.163 16 1HD PRO 3 1HD PRO 3 12.009 7.185 -0.917 17 2HD PRO 3 2HD PRO 3 13.100 8.328 -1.711 18 H THR 4 H THR 4 10.318 5.068 -3.323 19 HA THR 4 HA THR 4 8.019 4.877 -1.894 20 HB THR 4 HB THR 4 6.585 4.301 -4.198 21 HG1 THR 4 1HG THR 4 7.113 6.332 -5.470 22 1HG2 THR 4 1HG2 THR 4 6.190 7.088 -3.796 23 2HG2 THR 4 2HG2 THR 4 5.237 5.769 -3.073 24 3HG2 THR 4 3HG2 THR 4 6.632 6.445 -2.197 25 H ALA 5 H ALA 5 6.817 2.671 -2.384 26 HA ALA 5 HA ALA 5 8.986 0.785 -2.973 27 1HB ALA 5 1HB ALA 5 6.810 -0.521 -1.716 28 2HB ALA 5 2HB ALA 5 8.378 -0.089 -0.994 29 3HB ALA 5 3HB ALA 5 7.004 1.033 -0.871 30 H THR 6 H THR 6 8.058 -1.425 -3.827 31 HA THR 6 HA THR 6 5.730 -1.121 -5.513 32 HB THR 6 HB THR 6 6.948 -1.431 -7.608 33 HG1 THR 6 1HG THR 6 9.182 -1.944 -7.479 34 1HG2 THR 6 1HG2 THR 6 8.560 0.573 -5.944 35 2HG2 THR 6 2HG2 THR 6 8.405 0.548 -7.716 36 3HG2 THR 6 3HG2 THR 6 6.996 0.949 -6.706 37 H VAL 7 H VAL 7 5.041 -3.155 -6.478 38 HA VAL 7 HA VAL 7 6.088 -5.400 -4.904 39 HB VAL 7 HB VAL 7 3.413 -5.263 -6.281 40 1HG1 VAL 7 1HG1 VAL 7 3.559 -6.691 -3.755 41 2HG1 VAL 7 2HG1 VAL 7 3.060 -7.269 -5.364 42 3HG1 VAL 7 3HG1 VAL 7 4.780 -7.287 -4.903 43 1HG2 VAL 7 1HG2 VAL 7 2.516 -4.624 -3.978 44 2HG2 VAL 7 2HG2 VAL 7 4.185 -4.156 -3.571 45 3HG2 VAL 7 3HG2 VAL 7 3.332 -3.338 -4.902 46 H THR 8 H THR 8 6.843 -7.235 -5.935 47 HA THR 8 HA THR 8 8.006 -7.160 -8.334 48 HB THR 8 HB THR 8 6.890 -9.262 -6.543 49 HG1 THR 8 1HG THR 8 9.101 -8.833 -6.415 50 1HG2 THR 8 1HG2 THR 8 6.115 -10.506 -8.377 51 2HG2 THR 8 2HG2 THR 8 7.192 -9.670 -9.523 52 3HG2 THR 8 3HG2 THR 8 7.845 -10.922 -8.438 53 HA PRO 9 HA PRO 9 4.145 -8.424 -10.672 54 1HB PRO 9 1HB PRO 9 1.756 -8.744 -9.387 55 2HB PRO 9 2HB PRO 9 2.849 -10.081 -9.735 56 1HG PRO 9 1HG PRO 9 2.335 -8.663 -7.199 57 2HG PRO 9 2HG PRO 9 3.061 -10.291 -7.448 58 1HD PRO 9 1HD PRO 9 4.377 -7.844 -6.757 59 2HD PRO 9 2HD PRO 9 5.152 -9.385 -7.147 60 H SER 10 H SER 10 1.500 -7.530 -10.848 61 HA SER 10 HA SER 10 1.635 -4.783 -10.051 62 1HB SER 10 1HB SER 10 2.858 -4.764 -12.190 63 2HB SER 10 2HB SER 10 1.498 -5.562 -12.999 64 HG SER 10 HG SER 10 1.875 -2.981 -12.836 65 H SER 11 H SER 11 0.017 -7.387 -9.736 66 HA SER 11 HA SER 11 -2.485 -6.158 -9.706 67 1HB SER 11 1HB SER 11 -3.682 -7.366 -11.398 68 2HB SER 11 2HB SER 11 -2.266 -6.651 -12.191 69 HG SER 11 HG SER 11 -1.258 -8.675 -12.230 70 H GLY 12 H GLY 12 -1.377 -7.162 -7.581 71 1HA GLY 12 1HA GLY 12 -1.121 -9.762 -6.963 72 2HA GLY 12 2HA GLY 12 -1.838 -8.586 -5.880 73 H LEU 13 H LEU 13 -4.140 -8.098 -7.842 74 HA LEU 13 HA LEU 13 -6.249 -8.770 -7.951 75 1HB LEU 13 1HB LEU 13 -4.961 -11.416 -8.604 76 2HB LEU 13 2HB LEU 13 -6.627 -10.946 -8.982 77 HG LEU 13 HG LEU 13 -4.647 -9.070 -10.039 78 1HD1 LEU 13 1HD1 LEU 13 -4.595 -11.805 -11.308 79 2HD1 LEU 13 2HD1 LEU 13 -3.532 -10.409 -11.602 80 3HD1 LEU 13 3HD1 LEU 13 -3.409 -11.314 -10.075 81 1HD2 LEU 13 1HD2 LEU 13 -5.949 -9.564 -12.151 82 2HD2 LEU 13 2HD2 LEU 13 -6.956 -10.658 -11.172 83 3HD2 LEU 13 3HD2 LEU 13 -6.891 -8.922 -10.783 84 H SER 14 H SER 14 -5.030 -11.944 -6.755 85 HA SER 14 HA SER 14 -7.002 -12.487 -5.080 86 1HB SER 14 1HB SER 14 -5.602 -14.238 -4.898 87 2HB SER 14 2HB SER 14 -4.191 -13.248 -5.316 88 HG SER 14 HG SER 14 -5.359 -13.766 -2.735 89 H ASP 15 H ASP 15 -7.964 -11.409 -3.400 90 HA ASP 15 HA ASP 15 -7.038 -9.084 -2.372 91 1HB ASP 15 1HB ASP 15 -9.347 -10.011 -2.126 92 2HB ASP 15 2HB ASP 15 -8.742 -11.176 -0.939 93 HD2 ASP 15 HD2 ASP 15 -8.135 -7.864 0.868 94 H GLY 16 H GLY 16 -5.064 -8.808 -1.306 95 1HA GLY 16 1HA GLY 16 -3.731 -8.963 0.570 96 2HA GLY 16 2HA GLY 16 -4.529 -10.450 1.043 97 H THR 17 H THR 17 -3.253 -9.773 -2.248 98 HA THR 17 HA THR 17 -1.843 -12.214 -2.320 99 HB THR 17 HB THR 17 -2.032 -9.708 -4.039 100 HG1 THR 17 1HG THR 17 -3.616 -11.637 -3.761 101 1HG2 THR 17 1HG2 THR 17 0.150 -11.631 -4.070 102 2HG2 THR 17 2HG2 THR 17 -0.878 -11.894 -5.499 103 3HG2 THR 17 3HG2 THR 17 -0.156 -10.294 -5.204 104 H VAL 18 H VAL 18 -0.530 -12.291 -0.432 105 HA VAL 18 HA VAL 18 1.419 -10.284 0.032 106 HB VAL 18 HB VAL 18 1.498 -13.121 1.033 107 1HG1 VAL 18 1HG1 VAL 18 2.674 -10.509 1.812 108 2HG1 VAL 18 2HG1 VAL 18 2.100 -11.540 3.144 109 3HG1 VAL 18 3HG1 VAL 18 3.312 -12.160 1.998 110 1HG2 VAL 18 1HG2 VAL 18 -0.547 -11.027 1.552 111 2HG2 VAL 18 2HG2 VAL 18 -0.665 -12.800 1.651 112 3HG2 VAL 18 3HG2 VAL 18 0.091 -11.884 2.976 113 H VAL 19 H VAL 19 2.560 -9.956 -1.935 114 HA VAL 19 HA VAL 19 4.199 -12.259 -2.741 115 HB VAL 19 HB VAL 19 4.408 -10.719 -4.861 116 1HG1 VAL 19 1HG1 VAL 19 1.946 -11.810 -5.427 117 2HG1 VAL 19 2HG1 VAL 19 3.500 -12.674 -5.508 118 3HG1 VAL 19 3HG1 VAL 19 2.488 -12.798 -4.049 119 1HG2 VAL 19 1HG2 VAL 19 2.700 -9.225 -5.307 120 2HG2 VAL 19 2HG2 VAL 19 1.592 -9.970 -4.130 121 3HG2 VAL 19 3HG2 VAL 19 2.945 -8.962 -3.564 122 H LYS 20 H LYS 20 6.376 -11.455 -3.774 123 HA LYS 20 HA LYS 20 7.787 -10.161 -1.737 124 1HB LYS 20 1HB LYS 20 8.320 -11.469 -4.260 125 2HB LYS 20 2HB LYS 20 9.338 -10.029 -4.071 126 1HG LYS 20 1HG LYS 20 9.912 -10.874 -1.743 127 2HG LYS 20 2HG LYS 20 9.069 -12.381 -2.143 128 1HD LYS 20 1HD LYS 20 11.011 -13.111 -3.023 129 2HD LYS 20 2HD LYS 20 10.796 -11.929 -4.327 130 1HE LYS 20 1HE LYS 20 12.123 -10.293 -3.172 131 2HE LYS 20 2HE LYS 20 12.101 -11.221 -1.666 132 1HZ LYS 20 1HZ LYS 20 13.704 -11.583 -4.022 133 2HZ LYS 20 2HZ LYS 20 14.056 -11.911 -2.461 134 3HZ LYS 20 3HZ LYS 20 13.162 -12.962 -3.333 135 H VAL 21 H VAL 21 8.582 -8.059 -1.505 136 HA VAL 21 HA VAL 21 7.842 -6.142 -3.568 137 HB VAL 21 HB VAL 21 6.956 -6.038 -0.683 138 1HG1 VAL 21 1HG1 VAL 21 6.024 -3.799 -2.234 139 2HG1 VAL 21 2HG1 VAL 21 6.965 -3.809 -0.723 140 3HG1 VAL 21 3HG1 VAL 21 7.802 -3.866 -2.293 141 1HG2 VAL 21 1HG2 VAL 21 5.194 -7.079 -1.655 142 2HG2 VAL 21 2HG2 VAL 21 4.775 -5.430 -2.177 143 3HG2 VAL 21 3HG2 VAL 21 5.628 -6.527 -3.290 144 H ALA 22 H ALA 22 9.286 -4.406 -3.717 145 HA ALA 22 HA ALA 22 11.340 -4.245 -1.647 146 1HB ALA 22 1HB ALA 22 12.578 -5.558 -3.088 147 2HB ALA 22 2HB ALA 22 11.693 -5.003 -4.529 148 3HB ALA 22 3HB ALA 22 12.920 -3.954 -3.780 149 H GLY 23 H GLY 23 12.600 -2.171 -1.832 150 1HA GLY 23 1HA GLY 23 12.823 0.017 -2.558 151 2HA GLY 23 2HA GLY 23 11.317 -0.101 -3.447 152 H ALA 24 H ALA 24 11.104 2.116 -2.273 153 HA ALA 24 HA ALA 24 9.078 2.357 -0.708 154 1HB ALA 24 1HB ALA 24 9.932 2.252 1.702 155 2HB ALA 24 2HB ALA 24 9.692 0.688 0.887 156 3HB ALA 24 3HB ALA 24 11.332 1.357 1.063 157 H GLY 25 H GLY 25 10.467 3.820 1.649 158 1HA GLY 25 1HA GLY 25 10.732 6.324 0.323 159 2HA GLY 25 2HA GLY 25 11.018 5.977 2.017 160 H LEU 26 H LEU 26 12.816 3.705 0.307 161 HA LEU 26 HA LEU 26 15.025 3.430 0.215 162 1HB LEU 26 1HB LEU 26 14.647 4.205 -1.958 163 2HB LEU 26 2HB LEU 26 14.548 5.897 -1.441 164 HG LEU 26 HG LEU 26 17.096 5.176 -0.676 165 1HD1 LEU 26 1HD1 LEU 26 16.310 3.578 -3.094 166 2HD1 LEU 26 2HD1 LEU 26 17.968 4.206 -2.933 167 3HD1 LEU 26 3HD1 LEU 26 17.307 3.113 -1.694 168 1HD2 LEU 26 1HD2 LEU 26 15.874 6.717 -2.899 169 2HD2 LEU 26 2HD2 LEU 26 17.026 7.221 -1.638 170 3HD2 LEU 26 3HD2 LEU 26 17.600 6.313 -3.057 171 H GLN 27 H GLN 27 14.844 3.952 2.686 172 HA GLN 27 HA GLN 27 15.966 6.468 3.404 173 1HB GLN 27 1HB GLN 27 14.341 5.470 4.881 174 2HB GLN 27 2HB GLN 27 15.277 3.970 5.006 175 1HG GLN 27 1HG GLN 27 15.406 5.777 6.920 176 2HG GLN 27 2HG GLN 27 16.885 4.948 6.409 177 1HE2 GLN 27 1HE2 GLN 27 18.531 6.248 6.270 178 2HE2 GLN 27 2HE2 GLN 27 18.540 7.890 5.721 179 H ALA 28 H ALA 28 17.138 3.575 5.070 180 HA ALA 28 HA ALA 28 19.364 2.835 3.813 181 1HB ALA 28 1HB ALA 28 19.617 5.640 4.679 182 2HB ALA 28 2HB ALA 28 20.936 4.597 5.263 183 3HB ALA 28 3HB ALA 28 20.596 4.711 3.519 184 H GLY 29 H GLY 29 18.256 1.182 5.219 185 1HA GLY 29 1HA GLY 29 18.463 -0.238 6.958 186 2HA GLY 29 2HA GLY 29 19.812 0.710 7.552 187 H THR 30 H THR 30 16.196 0.883 7.224 188 HA THR 30 HA THR 30 15.980 1.574 10.010 189 HB THR 30 HB THR 30 15.684 3.593 7.777 190 HG1 THR 30 1HG THR 30 16.678 4.805 9.535 191 1HG2 THR 30 1HG2 THR 30 13.397 3.506 8.806 192 2HG2 THR 30 2HG2 THR 30 14.134 3.635 10.421 193 3HG2 THR 30 3HG2 THR 30 14.262 4.990 9.275 194 H ALA 31 H ALA 31 13.693 1.657 10.726 195 HA ALA 31 HA ALA 31 12.297 -0.514 9.689 196 1HB ALA 31 1HB ALA 31 10.391 0.782 11.073 197 2HB ALA 31 2HB ALA 31 11.731 -0.073 11.874 198 3HB ALA 31 3HB ALA 31 11.808 1.691 11.653 199 H TYR 32 H TYR 32 10.259 -0.610 8.527 200 HA TYR 32 HA TYR 32 9.406 1.811 7.187 201 1HB TYR 32 1HB TYR 32 11.067 -0.404 6.077 202 2HB TYR 32 2HB TYR 32 9.601 -0.128 5.131 203 HD1 TYR 32 1HD TYR 32 12.967 0.683 5.362 204 HD2 TYR 32 2HD TYR 32 9.167 2.537 4.710 205 HE1 TYR 32 1HE TYR 32 14.108 2.622 4.176 206 HE2 TYR 32 2HE TYR 32 10.320 4.469 3.527 207 HH TYR 32 HH TYR 32 12.407 5.509 3.397 208 H ASP 33 H ASP 33 7.530 1.311 8.583 209 HA ASP 33 HA ASP 33 6.198 -1.079 8.496 210 1HB ASP 33 1HB ASP 33 4.717 1.554 8.630 211 2HB ASP 33 2HB ASP 33 4.405 0.070 9.542 212 HD2 ASP 33 HD2 ASP 33 6.666 0.957 12.017 213 H VAL 34 H VAL 34 4.812 -2.015 6.950 214 HA VAL 34 HA VAL 34 4.699 -0.902 4.372 215 HB VAL 34 HB VAL 34 3.340 -3.201 5.763 216 1HG1 VAL 34 1HG1 VAL 34 1.782 -2.326 4.060 217 2HG1 VAL 34 2HG1 VAL 34 3.063 -2.457 2.831 218 3HG1 VAL 34 3HG1 VAL 34 2.429 -3.924 3.614 219 1HG2 VAL 34 1HG2 VAL 34 4.758 -4.530 4.203 220 2HG2 VAL 34 2HG2 VAL 34 5.487 -3.013 3.625 221 3HG2 VAL 34 3HG2 VAL 34 5.699 -3.514 5.320 222 H GLY 35 H GLY 35 2.650 -0.394 3.162 223 1HA GLY 35 1HA GLY 35 0.458 0.583 4.825 224 2HA GLY 35 2HA GLY 35 1.358 1.780 3.915 225 H GLN 36 H GLN 36 -1.474 1.005 3.578 226 HA GLN 36 HA GLN 36 -1.307 0.472 0.759 227 1HB GLN 36 1HB GLN 36 -2.504 -1.408 2.752 228 2HB GLN 36 2HB GLN 36 -3.409 -1.160 1.247 229 1HG GLN 36 1HG GLN 36 -0.685 -1.460 0.500 230 2HG GLN 36 2HG GLN 36 -0.990 -2.712 1.714 231 1HE2 GLN 36 1HE2 GLN 36 -3.045 -1.170 -0.747 232 2HE2 GLN 36 2HE2 GLN 36 -3.499 -2.612 -1.593 233 H CYS 37 H CYS 37 -2.570 1.974 -0.250 234 HA CYS 37 HA CYS 37 -4.901 2.931 1.247 235 1HB CYS 37 1HB CYS 37 -3.171 4.617 -0.551 236 2HB CYS 37 2HB CYS 37 -4.542 5.158 0.434 237 H ALA 38 H ALA 38 -6.313 4.281 -0.574 238 HA ALA 38 HA ALA 38 -6.220 2.890 -3.121 239 1HB ALA 38 1HB ALA 38 -8.890 2.976 -1.773 240 2HB ALA 38 2HB ALA 38 -8.228 1.789 -2.923 241 3HB ALA 38 3HB ALA 38 -7.732 1.745 -1.214 242 H TRP 39 H TRP 39 -6.122 4.583 -4.512 243 HA TRP 39 HA TRP 39 -7.361 7.085 -3.767 244 1HB TRP 39 1HB TRP 39 -5.077 6.470 -5.077 245 2HB TRP 39 2HB TRP 39 -6.156 6.768 -6.442 246 HD1 TRP 39 HD TRP 39 -7.666 9.108 -4.324 247 HE1 TRP 39 1HE TRP 39 -6.642 11.541 -4.314 248 HE3 TRP 39 3HE TRP 39 -3.201 7.805 -6.381 249 HZ2 TRP 39 2HZ TRP 39 -4.136 12.622 -5.149 250 HZ3 TRP 39 3HZ TRP 39 -1.522 9.610 -6.749 251 HH2 TRP 39 HH TRP 39 -1.931 11.949 -6.170 252 H VAL 40 H VAL 40 -9.424 7.623 -4.351 253 HA VAL 40 HA VAL 40 -10.645 6.007 -6.478 254 HB VAL 40 HB VAL 40 -11.890 7.438 -4.122 255 1HG1 VAL 40 1HG1 VAL 40 -13.729 7.461 -5.415 256 2HG1 VAL 40 2HG1 VAL 40 -13.024 6.336 -6.602 257 3HG1 VAL 40 3HG1 VAL 40 -13.785 5.707 -5.120 258 1HG2 VAL 40 1HG2 VAL 40 -12.523 4.985 -3.558 259 2HG2 VAL 40 2HG2 VAL 40 -11.189 4.554 -4.655 260 3HG2 VAL 40 3HG2 VAL 40 -10.869 5.545 -3.212 261 H ASP 41 H ASP 41 -9.779 9.228 -5.309 262 HA ASP 41 HA ASP 41 -10.288 10.265 -7.887 263 1HB ASP 41 1HB ASP 41 -12.424 10.401 -6.065 264 2HB ASP 41 2HB ASP 41 -11.680 12.004 -5.963 265 HD2 ASP 41 HD2 ASP 41 -14.181 11.553 -8.742 266 H THR 42 H THR 42 -10.321 13.062 -7.142 267 HA THR 42 HA THR 42 -7.624 13.474 -6.488 268 HB THR 42 HB THR 42 -10.074 15.313 -6.542 269 HG1 THR 42 1HG THR 42 -8.956 15.742 -8.665 270 1HG2 THR 42 1HG2 THR 42 -7.745 16.068 -5.372 271 2HG2 THR 42 2HG2 THR 42 -7.262 16.258 -7.075 272 3HG2 THR 42 3HG2 THR 42 -8.653 17.167 -6.437 273 H GLY 43 H GLY 43 -10.625 13.984 -4.517 274 1HA GLY 43 1HA GLY 43 -8.868 14.004 -2.136 275 2HA GLY 43 2HA GLY 43 -10.373 14.890 -2.282 276 H VAL 44 H VAL 44 -10.029 11.614 -3.637 277 HA VAL 44 HA VAL 44 -11.695 10.624 -1.427 278 HB VAL 44 HB VAL 44 -11.843 9.697 -4.292 279 1HG1 VAL 44 1HG1 VAL 44 -13.576 8.375 -3.648 280 2HG1 VAL 44 2HG1 VAL 44 -12.764 8.478 -2.068 281 3HG1 VAL 44 3HG1 VAL 44 -14.152 9.534 -2.425 282 1HG2 VAL 44 1HG2 VAL 44 -13.722 11.694 -2.998 283 2HG2 VAL 44 2HG2 VAL 44 -12.377 12.157 -4.068 284 3HG2 VAL 44 3HG2 VAL 44 -13.701 11.144 -4.691 285 H LEU 45 H LEU 45 -8.903 10.590 -1.244 286 HA LEU 45 HA LEU 45 -8.118 7.928 -2.133 287 1HB LEU 45 1HB LEU 45 -6.735 10.032 -2.458 288 2HB LEU 45 2HB LEU 45 -6.406 9.960 -0.718 289 HG LEU 45 HG LEU 45 -5.628 7.968 -2.857 290 1HD1 LEU 45 1HD1 LEU 45 -3.329 8.457 -1.941 291 2HD1 LEU 45 2HD1 LEU 45 -4.118 9.799 -2.803 292 3HD1 LEU 45 3HD1 LEU 45 -4.063 9.794 -1.024 293 1HD2 LEU 45 1HD2 LEU 45 -5.747 7.648 0.123 294 2HD2 LEU 45 2HD2 LEU 45 -6.160 6.494 -1.168 295 3HD2 LEU 45 3HD2 LEU 45 -4.454 6.851 -0.805 296 H ALA 46 H ALA 46 -9.119 6.439 -0.809 297 HA ALA 46 HA ALA 46 -9.133 6.927 2.047 298 1HB ALA 46 1HB ALA 46 -10.376 4.946 0.144 299 2HB ALA 46 2HB ALA 46 -10.274 4.557 1.877 300 3HB ALA 46 3HB ALA 46 -11.156 6.008 1.341 301 H CYS 47 H CYS 47 -7.288 6.523 3.163 302 HA CYS 47 HA CYS 47 -5.430 4.591 2.113 303 1HB CYS 47 1HB CYS 47 -5.382 6.801 4.023 304 2HB CYS 47 2HB CYS 47 -4.426 5.401 4.539 305 H ASN 48 H ASN 48 -4.525 2.882 3.674 306 HA ASN 48 HA ASN 48 -6.734 1.876 5.288 307 1HB ASN 48 1HB ASN 48 -5.809 0.575 3.189 308 2HB ASN 48 2HB ASN 48 -4.450 0.156 4.243 309 1HD2 ASN 48 1HD2 ASN 48 -6.383 -1.593 3.044 310 2HD2 ASN 48 2HD2 ASN 48 -7.233 -2.415 4.310 311 HA PRO 49 HA PRO 49 -3.373 2.725 8.193 312 1HB PRO 49 1HB PRO 49 -4.946 3.532 10.276 313 2HB PRO 49 2HB PRO 49 -4.285 4.645 9.080 314 1HG PRO 49 1HG PRO 49 -7.019 3.573 9.366 315 2HG PRO 49 2HG PRO 49 -6.474 5.041 8.475 316 1HD PRO 49 1HD PRO 49 -7.253 2.498 7.411 317 2HD PRO 49 2HD PRO 49 -6.573 3.858 6.506 318 H ALA 50 H ALA 50 -4.317 0.162 7.503 319 HA ALA 50 HA ALA 50 -4.043 -1.027 10.158 320 1HB ALA 50 1HB ALA 50 -6.503 -0.859 9.251 321 2HB ALA 50 2HB ALA 50 -5.999 -2.182 8.172 322 3HB ALA 50 3HB ALA 50 -5.925 -2.396 9.938 323 H ASP 51 H ASP 51 -2.667 -0.497 7.284 324 HA ASP 51 HA ASP 51 -2.226 -2.680 5.905 325 1HB ASP 51 1HB ASP 51 0.313 -1.936 5.961 326 2HB ASP 51 2HB ASP 51 -0.906 -0.871 5.242 327 HD2 ASP 51 HD2 ASP 51 0.769 0.214 8.690 328 H PHE 52 H PHE 52 -0.834 -1.914 9.157 329 HA PHE 52 HA PHE 52 0.012 -3.194 10.743 330 1HB PHE 52 1HB PHE 52 -1.717 -4.899 9.157 331 2HB PHE 52 2HB PHE 52 -0.288 -5.853 9.572 332 HD1 PHE 52 1HD PHE 52 -0.734 -7.253 11.339 333 HD2 PHE 52 2HD PHE 52 -2.355 -3.331 11.409 334 HE1 PHE 52 1HE PHE 52 -1.710 -7.696 13.608 335 HE2 PHE 52 2HE PHE 52 -3.331 -3.776 13.678 336 HZ PHE 52 HZ PHE 52 -2.997 -5.953 14.751 337 H SER 53 H SER 53 0.642 -4.991 7.636 338 HA SER 53 HA SER 53 2.929 -6.137 8.113 339 1HB SER 53 1HB SER 53 1.916 -4.640 5.730 340 2HB SER 53 2HB SER 53 3.607 -5.168 5.683 341 HG SER 53 HG SER 53 1.990 -7.197 6.594 342 H SER 54 H SER 54 5.251 -5.615 7.957 343 HA SER 54 HA SER 54 6.037 -2.912 7.796 344 1HB SER 54 1HB SER 54 7.012 -2.796 10.115 345 2HB SER 54 2HB SER 54 5.240 -2.762 10.078 346 HG SER 54 HG SER 54 5.159 -4.682 11.076 347 H VAL 55 H VAL 55 8.331 -2.754 7.481 348 HA VAL 55 HA VAL 55 9.918 -5.129 7.947 349 HB VAL 55 HB VAL 55 8.725 -5.241 5.659 350 1HG1 VAL 55 1HG1 VAL 55 9.755 -2.716 5.340 351 2HG1 VAL 55 2HG1 VAL 55 10.942 -3.712 4.463 352 3HG1 VAL 55 3HG1 VAL 55 9.221 -3.781 4.017 353 1HG2 VAL 55 1HG2 VAL 55 11.413 -5.943 6.515 354 2HG2 VAL 55 2HG2 VAL 55 10.245 -6.876 5.548 355 3HG2 VAL 55 3HG2 VAL 55 11.331 -5.712 4.752 356 H THR 56 H THR 56 12.071 -4.147 6.185 357 HA THR 56 HA THR 56 12.628 -1.495 7.265 358 HB THR 56 HB THR 56 14.049 -4.083 7.959 359 HG1 THR 56 1HG THR 56 14.116 -2.626 9.971 360 1HG2 THR 56 1HG2 THR 56 15.289 -1.285 8.084 361 2HG2 THR 56 2HG2 THR 56 16.017 -2.793 8.687 362 3HG2 THR 56 3HG2 THR 56 15.797 -2.549 6.938 363 H ALA 57 H ALA 57 14.775 -0.652 6.320 364 HA ALA 57 HA ALA 57 14.558 -1.016 3.486 365 1HB ALA 57 1HB ALA 57 16.810 0.578 4.139 366 2HB ALA 57 2HB ALA 57 15.195 1.134 3.638 367 3HB ALA 57 3HB ALA 57 15.574 0.941 5.367 368 H ASP 58 H ASP 58 17.014 -0.930 2.402 369 HA ASP 58 HA ASP 58 18.514 -3.071 3.660 370 1HB ASP 58 1HB ASP 58 18.814 -4.151 1.436 371 2HB ASP 58 2HB ASP 58 17.122 -4.161 1.958 372 HD2 ASP 58 HD2 ASP 58 16.978 -3.188 -1.446 373 H ALA 59 H ALA 59 20.774 -2.726 3.453 374 HA ALA 59 HA ALA 59 22.133 -0.656 3.283 375 1HB ALA 59 1HB ALA 59 22.560 -3.261 2.074 376 2HB ALA 59 2HB ALA 59 23.414 -2.001 1.152 377 3HB ALA 59 3HB ALA 59 23.725 -2.193 2.894 378 H ASN 60 H ASN 60 20.726 1.077 2.502 379 HA ASN 60 HA ASN 60 21.475 2.440 0.469 380 1HB ASN 60 1HB ASN 60 21.268 0.857 -1.271 381 2HB ASN 60 2HB ASN 60 19.766 0.180 -0.623 382 1HD2 ASN 60 1HD2 ASN 60 18.533 0.397 -2.403 383 2HD2 ASN 60 2HD2 ASN 60 18.059 1.905 -3.110 384 H GLY 61 H GLY 61 18.574 0.834 1.841 385 1HA GLY 61 1HA GLY 61 17.133 2.274 3.179 386 2HA GLY 61 2HA GLY 61 17.197 3.454 1.886 387 H SER 62 H SER 62 17.243 0.582 0.236 388 HA SER 62 HA SER 62 14.496 0.850 -0.424 389 1HB SER 62 1HB SER 62 15.296 0.059 -2.363 390 2HB SER 62 2HB SER 62 16.868 -0.269 -1.611 391 HG SER 62 HG SER 62 15.305 -2.074 -2.609 392 H ALA 63 H ALA 63 12.778 -0.433 0.254 393 HA ALA 63 HA ALA 63 13.280 -2.212 2.440 394 1HB ALA 63 1HB ALA 63 10.610 -1.988 1.091 395 2HB ALA 63 2HB ALA 63 11.012 -2.024 2.825 396 3HB ALA 63 3HB ALA 63 11.273 -0.538 1.881 397 H SER 64 H SER 64 12.224 -4.456 2.447 398 HA SER 64 HA SER 64 11.905 -5.685 -0.080 399 1HB SER 64 1HB SER 64 13.767 -7.351 0.256 400 2HB SER 64 2HB SER 64 14.323 -5.709 -0.118 401 HG SER 64 HG SER 64 15.554 -6.079 1.619 402 H THR 65 H THR 65 10.154 -6.969 0.367 403 HA THR 65 HA THR 65 10.193 -9.099 2.097 404 HB THR 65 HB THR 65 10.071 -6.689 3.569 405 HG1 THR 65 1HG THR 65 9.163 -9.440 4.046 406 1HG2 THR 65 1HG2 THR 65 7.888 -6.688 4.615 407 2HG2 THR 65 2HG2 THR 65 7.580 -6.628 2.864 408 3HG2 THR 65 3HG2 THR 65 7.401 -8.163 3.747 409 H SER 66 H SER 66 7.788 -9.818 2.650 410 HA SER 66 HA SER 66 6.451 -9.535 0.121 411 1HB SER 66 1HB SER 66 5.790 -11.292 2.517 412 2HB SER 66 2HB SER 66 5.060 -11.422 0.907 413 HG SER 66 HG SER 66 7.903 -11.556 1.128 414 H LEU 67 H LEU 67 4.662 -8.244 -0.193 415 HA LEU 67 HA LEU 67 3.377 -7.202 2.236 416 1HB LEU 67 1HB LEU 67 4.340 -5.938 -0.235 417 2HB LEU 67 2HB LEU 67 2.732 -5.415 0.300 418 HG LEU 67 HG LEU 67 3.748 -4.882 2.533 419 1HD1 LEU 67 1HD1 LEU 67 6.154 -4.698 2.755 420 2HD1 LEU 67 2HD1 LEU 67 5.706 -6.372 2.352 421 3HD1 LEU 67 3HD1 LEU 67 6.383 -5.306 1.097 422 1HD2 LEU 67 1HD2 LEU 67 4.787 -2.784 1.800 423 2HD2 LEU 67 2HD2 LEU 67 4.888 -3.415 0.139 424 3HD2 LEU 67 3HD2 LEU 67 3.299 -3.138 0.890 425 H THR 68 H THR 68 1.162 -7.383 2.438 426 HA THR 68 HA THR 68 -0.100 -9.191 0.567 427 HB THR 68 HB THR 68 -0.330 -9.449 3.042 428 HG1 THR 68 1HG THR 68 -2.572 -9.808 2.771 429 1HG2 THR 68 1HG2 THR 68 -1.584 -7.852 4.362 430 2HG2 THR 68 2HG2 THR 68 -0.338 -6.903 3.518 431 3HG2 THR 68 3HG2 THR 68 -2.015 -6.902 2.920 432 H VAL 69 H VAL 69 -0.589 -8.285 -1.371 433 HA VAL 69 HA VAL 69 -1.475 -5.601 -1.575 434 HB VAL 69 HB VAL 69 -1.899 -7.747 -3.636 435 1HG1 VAL 69 1HG1 VAL 69 -2.541 -5.926 -4.774 436 2HG1 VAL 69 2HG1 VAL 69 -1.869 -4.821 -3.552 437 3HG1 VAL 69 3HG1 VAL 69 -0.818 -5.486 -4.823 438 1HG2 VAL 69 1HG2 VAL 69 0.649 -6.562 -4.047 439 2HG2 VAL 69 2HG2 VAL 69 0.603 -7.138 -2.364 440 3HG2 VAL 69 3HG2 VAL 69 0.267 -8.266 -3.699 441 H ARG 70 H ARG 70 -3.106 -6.072 0.317 442 HA ARG 70 HA ARG 70 -5.286 -7.591 0.064 443 1HB ARG 70 1HB ARG 70 -6.477 -5.612 1.314 444 2HB ARG 70 2HB ARG 70 -5.087 -6.385 2.093 445 1HG ARG 70 1HG ARG 70 -4.027 -4.356 0.416 446 2HG ARG 70 2HG ARG 70 -5.420 -3.623 1.226 447 1HD ARG 70 1HD ARG 70 -3.971 -3.273 2.947 448 2HD ARG 70 2HD ARG 70 -4.199 -4.990 3.307 449 HE ARG 70 HE ARG 70 -2.165 -4.684 1.300 450 1HH1 ARG 70 1HH1 ARG 70 -2.701 -4.164 4.739 451 2HH1 ARG 70 2HH1 ARG 70 -1.030 -4.347 5.157 452 1HH2 ARG 70 1HH2 ARG 70 0.039 -4.925 1.850 453 2HH2 ARG 70 2HH2 ARG 70 0.539 -4.783 3.503 454 H ARG 71 H ARG 71 -7.174 -7.614 -1.176 455 HA ARG 71 HA ARG 71 -7.281 -5.643 -3.260 456 1HB ARG 71 1HB ARG 71 -7.565 -7.916 -3.990 457 2HB ARG 71 2HB ARG 71 -8.775 -8.253 -2.740 458 1HG ARG 71 1HG ARG 71 -9.766 -6.035 -4.195 459 2HG ARG 71 2HG ARG 71 -9.133 -7.149 -5.419 460 1HD ARG 71 1HD ARG 71 -11.209 -7.720 -3.265 461 2HD ARG 71 2HD ARG 71 -11.457 -7.736 -5.018 462 HE ARG 71 HE ARG 71 -9.392 -9.606 -4.177 463 1HH1 ARG 71 1HH1 ARG 71 -12.873 -9.177 -4.460 464 2HH1 ARG 71 2HH1 ARG 71 -13.202 -10.875 -4.561 465 1HH2 ARG 71 1HH2 ARG 71 -9.825 -11.846 -4.311 466 2HH2 ARG 71 2HH2 ARG 71 -11.458 -12.403 -4.476 467 H SER 72 H SER 72 -9.867 -7.286 -1.288 468 HA SER 72 HA SER 72 -11.280 -4.758 -1.282 469 1HB SER 72 1HB SER 72 -12.571 -6.647 -2.060 470 2HB SER 72 2HB SER 72 -12.149 -7.604 -0.630 471 HG SER 72 HG SER 72 -14.223 -6.788 -0.288 472 H PHE 73 H PHE 73 -11.429 -3.513 0.564 473 HA PHE 73 HA PHE 73 -11.376 -4.710 3.144 474 1HB PHE 73 1HB PHE 73 -9.267 -3.435 3.801 475 2HB PHE 73 2HB PHE 73 -8.948 -4.723 2.634 476 HD1 PHE 73 1HD PHE 73 -8.087 -4.218 0.478 477 HD2 PHE 73 2HD PHE 73 -9.324 -1.073 3.044 478 HE1 PHE 73 1HE PHE 73 -6.999 -2.548 -1.045 479 HE2 PHE 73 2HE PHE 73 -8.235 0.599 1.520 480 HZ PHE 73 HZ PHE 73 -7.085 -0.159 -0.505 481 H GLU 74 H GLU 74 -10.849 -2.604 4.784 482 HA GLU 74 HA GLU 74 -12.868 -0.725 3.905 483 1HB GLU 74 1HB GLU 74 -12.788 -0.021 6.362 484 2HB GLU 74 2HB GLU 74 -13.374 -1.663 6.042 485 1HG GLU 74 1HG GLU 74 -11.400 -2.653 6.838 486 2HG GLU 74 2HG GLU 74 -10.431 -1.193 6.581 487 HE2 GLU 74 HE2 GLU 74 -12.828 -1.203 9.786 488 H GLY 75 H GLY 75 -12.254 1.223 3.079 489 1HA GLY 75 1HA GLY 75 -9.573 2.226 3.820 490 2HA GLY 75 2HA GLY 75 -10.359 2.486 2.276 491 H PHE 76 H PHE 76 -9.345 4.541 4.125 492 HA PHE 76 HA PHE 76 -11.825 6.032 4.374 493 1HB PHE 76 1HB PHE 76 -10.792 4.736 6.552 494 2HB PHE 76 2HB PHE 76 -9.773 6.178 6.602 495 HD1 PHE 76 1HD PHE 76 -12.578 4.795 7.972 496 HD2 PHE 76 2HD PHE 76 -11.321 8.417 6.152 497 HE1 PHE 76 1HE PHE 76 -14.410 6.030 9.164 498 HE2 PHE 76 2HE PHE 76 -13.153 9.652 7.345 499 HZ PHE 76 HZ PHE 76 -14.675 8.443 8.837 500 H LEU 77 H LEU 77 -11.562 8.270 4.069 501 HA LEU 77 HA LEU 77 -9.349 9.075 2.605 502 1HB LEU 77 1HB LEU 77 -11.653 10.415 3.928 503 2HB LEU 77 2HB LEU 77 -10.322 11.418 3.320 504 HG LEU 77 HG LEU 77 -10.657 10.377 1.073 505 1HD1 LEU 77 1HD1 LEU 77 -12.573 9.054 0.570 506 2HD1 LEU 77 2HD1 LEU 77 -11.751 8.296 1.954 507 3HD1 LEU 77 3HD1 LEU 77 -13.227 9.257 2.213 508 1HD2 LEU 77 1HD2 LEU 77 -11.582 12.475 1.153 509 2HD2 LEU 77 2HD2 LEU 77 -13.019 11.496 0.770 510 3HD2 LEU 77 3HD2 LEU 77 -12.734 12.045 2.440 511 H PHE 78 H PHE 78 -10.256 10.052 5.992 512 HA PHE 78 HA PHE 78 -8.070 9.529 7.341 513 1HB PHE 78 1HB PHE 78 -6.454 10.529 5.952 514 2HB PHE 78 2HB PHE 78 -7.600 11.710 5.306 515 HD1 PHE 78 1HD PHE 78 -7.451 13.913 6.011 516 HD2 PHE 78 2HD PHE 78 -5.740 10.873 8.428 517 HE1 PHE 78 1HE PHE 78 -6.473 15.663 7.520 518 HE2 PHE 78 2HE PHE 78 -4.762 12.625 9.938 519 HZ PHE 78 HZ PHE 78 -5.140 14.999 9.465 520 H ASP 79 H ASP 79 -10.404 12.018 6.394 521 HA ASP 79 HA ASP 79 -11.394 12.290 8.919 522 1HB ASP 79 1HB ASP 79 -9.011 13.509 9.004 523 2HB ASP 79 2HB ASP 79 -9.921 14.843 8.279 524 HD2 ASP 79 HD2 ASP 79 -10.039 15.302 11.836 525 H GLY 80 H GLY 80 -12.808 11.965 6.735 526 1HA GLY 80 1HA GLY 80 -14.305 14.349 6.361 527 2HA GLY 80 2HA GLY 80 -13.295 14.034 4.963 528 H THR 81 H THR 81 -13.290 11.469 4.371 529 HA THR 81 HA THR 81 -16.028 10.454 4.636 530 HB THR 81 HB THR 81 -14.474 10.987 2.054 531 HG1 THR 81 1HG THR 81 -15.760 12.760 2.634 532 1HG2 THR 81 1HG2 THR 81 -16.600 10.068 0.973 533 2HG2 THR 81 2HG2 THR 81 -15.586 8.827 1.746 534 3HG2 THR 81 3HG2 THR 81 -17.051 9.416 2.567 535 H ARG 82 H ARG 82 -16.118 8.129 3.659 536 HA ARG 82 HA ARG 82 -13.633 6.767 3.778 537 1HB ARG 82 1HB ARG 82 -14.331 5.241 5.657 538 2HB ARG 82 2HB ARG 82 -14.062 6.909 6.193 539 1HG ARG 82 1HG ARG 82 -16.288 7.259 6.643 540 2HG ARG 82 2HG ARG 82 -16.843 6.221 5.318 541 1HD ARG 82 1HD ARG 82 -16.524 4.241 6.599 542 2HD ARG 82 2HD ARG 82 -15.494 5.057 7.785 543 HE ARG 82 HE ARG 82 -17.847 6.419 8.056 544 1HH1 ARG 82 1HH1 ARG 82 -17.149 2.971 7.952 545 2HH1 ARG 82 2HH1 ARG 82 -18.490 2.540 8.959 546 1HH2 ARG 82 1HH2 ARG 82 -19.616 5.850 9.385 547 2HH2 ARG 82 2HH2 ARG 82 -19.904 4.188 9.780 548 H TRP 83 H TRP 83 -13.842 4.537 2.989 549 HA TRP 83 HA TRP 83 -16.326 4.164 1.514 550 1HB TRP 83 1HB TRP 83 -13.569 2.978 1.313 551 2HB TRP 83 2HB TRP 83 -14.949 2.296 0.450 552 HD1 TRP 83 HD TRP 83 -12.324 4.927 0.087 553 HE1 TRP 83 1HE TRP 83 -12.698 6.474 -2.018 554 HE3 TRP 83 3HE TRP 83 -17.084 3.401 -0.846 555 HZ2 TRP 83 2HZ TRP 83 -14.892 6.877 -3.797 556 HZ3 TRP 83 3HZ TRP 83 -18.272 4.421 -2.786 557 HH2 TRP 83 HH TRP 83 -17.251 6.103 -4.237 558 H GLY 84 H GLY 84 -14.009 1.866 3.110 559 1HA GLY 84 1HA GLY 84 -14.391 0.398 4.820 560 2HA GLY 84 2HA GLY 84 -16.057 0.932 4.931 561 H THR 85 H THR 85 -14.711 -1.837 4.710 562 HA THR 85 HA THR 85 -14.742 -3.618 3.206 563 HB THR 85 HB THR 85 -17.254 -2.956 4.682 564 HG1 THR 85 1HG THR 85 -16.648 -5.315 5.218 565 1HG2 THR 85 1HG2 THR 85 -17.175 -4.820 2.300 566 2HG2 THR 85 2HG2 THR 85 -18.023 -5.363 3.768 567 3HG2 THR 85 3HG2 THR 85 -18.540 -3.874 2.940 568 H VAL 86 H VAL 86 -14.081 -2.592 1.199 569 HA VAL 86 HA VAL 86 -16.212 -2.827 -0.742 570 HB VAL 86 HB VAL 86 -15.857 -0.371 0.241 571 1HG1 VAL 86 1HG1 VAL 86 -13.470 -0.262 -0.313 572 2HG1 VAL 86 2HG1 VAL 86 -13.846 -0.537 -2.031 573 3HG1 VAL 86 3HG1 VAL 86 -14.395 0.953 -1.228 574 1HG2 VAL 86 1HG2 VAL 86 -17.189 -1.481 -1.880 575 2HG2 VAL 86 2HG2 VAL 86 -17.263 0.235 -1.413 576 3HG2 VAL 86 3HG2 VAL 86 -16.146 -0.291 -2.695 577 H ASP 87 H ASP 87 -15.367 -3.103 -2.934 578 HA ASP 87 HA ASP 87 -12.891 -4.468 -2.842 579 1HB ASP 87 1HB ASP 87 -13.375 -4.518 -5.433 580 2HB ASP 87 2HB ASP 87 -14.397 -5.457 -4.337 581 HD2 ASP 87 HD2 ASP 87 -16.937 -3.944 -6.117 582 H CYS 88 H CYS 88 -10.942 -3.343 -2.960 583 HA CYS 88 HA CYS 88 -10.805 -0.667 -3.742 584 1HB CYS 88 1HB CYS 88 -8.631 -0.745 -3.157 585 2HB CYS 88 2HB CYS 88 -9.228 -2.153 -2.264 586 H THR 89 H THR 89 -10.710 -3.747 -5.462 587 HA THR 89 HA THR 89 -9.249 -3.125 -7.708 588 HB THR 89 HB THR 89 -10.314 -5.052 -8.609 589 HG1 THR 89 1HG THR 89 -12.558 -5.297 -8.309 590 1HG2 THR 89 1HG2 THR 89 -11.344 -5.561 -5.830 591 2HG2 THR 89 2HG2 THR 89 -10.344 -6.603 -6.870 592 3HG2 THR 89 3HG2 THR 89 -9.599 -5.251 -5.984 593 H THR 90 H THR 90 -12.255 -1.730 -6.621 594 HA THR 90 HA THR 90 -13.094 -0.878 -9.226 595 HB THR 90 HB THR 90 -14.004 -0.770 -6.398 596 HG1 THR 90 1HG THR 90 -16.033 -0.817 -7.849 597 1HG2 THR 90 1HG2 THR 90 -13.909 1.686 -6.821 598 2HG2 THR 90 2HG2 THR 90 -14.722 1.450 -8.386 599 3HG2 THR 90 3HG2 THR 90 -15.594 1.113 -6.870 600 H ALA 91 H ALA 91 -10.805 0.236 -6.825 601 HA ALA 91 HA ALA 91 -10.429 2.635 -8.472 602 1HB ALA 91 1HB ALA 91 -11.495 2.657 -5.911 603 2HB ALA 91 2HB ALA 91 -9.763 2.948 -5.621 604 3HB ALA 91 3HB ALA 91 -10.677 4.024 -6.705 605 H ALA 92 H ALA 92 -9.237 -0.226 -8.155 606 HA ALA 92 HA ALA 92 -7.230 -1.187 -7.764 607 1HB ALA 92 1HB ALA 92 -7.366 0.414 -10.028 608 2HB ALA 92 2HB ALA 92 -5.819 0.895 -9.291 609 3HB ALA 92 3HB ALA 92 -6.118 -0.812 -9.696 610 H CYS 93 H CYS 93 -7.104 -0.753 -5.438 611 HA CYS 93 HA CYS 93 -6.099 1.547 -4.340 612 1HB CYS 93 1HB CYS 93 -5.261 -0.073 -2.512 613 2HB CYS 93 2HB CYS 93 -7.001 0.114 -2.800 614 H GLN 94 H GLN 94 -3.778 1.103 -2.923 615 HA GLN 94 HA GLN 94 -1.812 0.146 -4.806 616 1HB GLN 94 1HB GLN 94 -0.487 2.181 -4.729 617 2HB GLN 94 2HB GLN 94 -2.114 2.583 -5.304 618 1HG GLN 94 1HG GLN 94 -1.512 2.744 -2.354 619 2HG GLN 94 2HG GLN 94 -0.921 4.037 -3.410 620 1HE2 GLN 94 1HE2 GLN 94 -2.219 5.650 -2.779 621 2HE2 GLN 94 2HE2 GLN 94 -3.943 5.679 -2.948 622 H VAL 95 H VAL 95 0.155 -0.536 -3.794 623 HA VAL 95 HA VAL 95 0.069 -0.410 -0.858 624 HB VAL 95 HB VAL 95 -0.527 -2.623 -1.827 625 1HG1 VAL 95 1HG1 VAL 95 2.338 -3.043 -2.602 626 2HG1 VAL 95 2HG1 VAL 95 0.868 -3.871 -3.168 627 3HG1 VAL 95 3HG1 VAL 95 1.245 -2.232 -3.750 628 1HG2 VAL 95 1HG2 VAL 95 0.261 -3.439 0.092 629 2HG2 VAL 95 2HG2 VAL 95 1.916 -3.457 -0.561 630 3HG2 VAL 95 3HG2 VAL 95 1.296 -2.001 0.256 631 H GLY 96 H GLY 96 1.816 0.530 0.078 632 1HA GLY 96 1HA GLY 96 4.340 0.568 -1.441 633 2HA GLY 96 2HA GLY 96 3.645 2.069 -0.860 634 H LEU 97 H LEU 97 5.852 2.082 0.296 635 HA LEU 97 HA LEU 97 5.513 0.724 2.876 636 1HB LEU 97 1HB LEU 97 7.722 0.614 0.967 637 2HB LEU 97 2HB LEU 97 8.224 1.029 2.615 638 HG LEU 97 HG LEU 97 6.381 -1.284 2.317 639 1HD1 LEU 97 1HD1 LEU 97 7.570 -2.350 0.771 640 2HD1 LEU 97 2HD1 LEU 97 8.844 -1.107 0.789 641 3HD1 LEU 97 3HD1 LEU 97 8.891 -2.446 1.960 642 1HD2 LEU 97 1HD2 LEU 97 8.899 -1.483 3.852 643 2HD2 LEU 97 2HD2 LEU 97 7.767 -0.217 4.390 644 3HD2 LEU 97 3HD2 LEU 97 7.231 -1.913 4.304 645 H SER 98 H SER 98 6.244 1.917 4.731 646 HA SER 98 HA SER 98 7.004 4.653 4.173 647 1HB SER 98 1HB SER 98 4.402 3.795 5.167 648 2HB SER 98 2HB SER 98 5.206 4.845 6.348 649 HG SER 98 HG SER 98 3.822 5.840 4.549 650 H ASP 99 H ASP 99 7.989 5.728 6.099 651 HA ASP 99 HA ASP 99 9.152 3.703 7.819 652 1HB ASP 99 1HB ASP 99 10.416 6.148 8.342 653 2HB ASP 99 2HB ASP 99 11.038 4.856 7.302 654 HD2 ASP 99 HD2 ASP 99 11.146 7.292 4.887 655 H ALA 100 H ALA 100 9.816 4.926 10.116 656 HA ALA 100 HA ALA 100 7.263 5.772 11.202 657 1HB ALA 100 1HB ALA 100 9.801 4.574 12.197 658 2HB ALA 100 2HB ALA 100 8.973 5.684 13.315 659 3HB ALA 100 3HB ALA 100 8.118 4.256 12.682 660 H ALA 101 H ALA 101 9.017 7.474 9.348 661 HA ALA 101 HA ALA 101 8.945 9.825 11.059 662 1HB ALA 101 1HB ALA 101 11.318 9.888 9.386 663 2HB ALA 101 2HB ALA 101 11.174 10.111 11.146 664 3HB ALA 101 3HB ALA 101 11.356 8.475 10.468 665 H GLY 102 H GLY 102 9.484 8.365 7.797 666 1HA GLY 102 1HA GLY 102 8.785 10.798 6.430 667 2HA GLY 102 2HA GLY 102 9.094 9.222 5.730 668 H ASN 103 H ASN 103 7.263 7.516 6.844 669 HA ASN 103 HA ASN 103 5.243 6.826 6.330 670 1HB ASN 103 1HB ASN 103 5.145 8.174 8.610 671 2HB ASN 103 2HB ASN 103 4.152 9.316 7.691 672 1HD2 ASN 103 1HD2 ASN 103 2.109 9.015 8.105 673 2HD2 ASN 103 2HD2 ASN 103 1.274 7.504 8.253 674 H GLY 104 H GLY 104 2.737 8.416 6.098 675 1HA GLY 104 1HA GLY 104 1.719 10.001 4.749 676 2HA GLY 104 2HA GLY 104 3.215 10.242 3.867 677 HA PRO 105 HA PRO 105 0.419 7.156 1.746 678 1HB PRO 105 1HB PRO 105 -1.124 8.726 0.130 679 2HB PRO 105 2HB PRO 105 -1.689 8.078 1.668 680 1HG PRO 105 1HG PRO 105 -0.798 10.803 0.972 681 2HG PRO 105 2HG PRO 105 -1.806 10.274 2.366 682 1HD PRO 105 1HD PRO 105 0.955 11.036 2.355 683 2HD PRO 105 2HD PRO 105 0.050 10.369 3.720 684 H GLU 106 H GLU 106 0.934 6.151 -0.176 685 HA GLU 106 HA GLU 106 1.636 7.283 -2.448 686 1HB GLU 106 1HB GLU 106 3.673 7.919 -0.467 687 2HB GLU 106 2HB GLU 106 4.378 7.014 -1.819 688 1HG GLU 106 1HG GLU 106 3.842 8.666 -3.372 689 2HG GLU 106 2HG GLU 106 2.480 9.281 -2.425 690 HE2 GLU 106 HE2 GLU 106 4.548 11.765 -1.286 691 H GLY 107 H GLY 107 0.561 5.079 -2.528 692 1HA GLY 107 1HA GLY 107 2.492 2.869 -2.253 693 2HA GLY 107 2HA GLY 107 0.746 2.730 -2.282 694 H VAL 108 H VAL 108 1.955 1.042 -3.970 695 HA VAL 108 HA VAL 108 2.105 2.368 -6.570 696 HB VAL 108 HB VAL 108 3.975 0.971 -5.953 697 1HG1 VAL 108 1HG1 VAL 108 2.922 -1.661 -6.049 698 2HG1 VAL 108 2HG1 VAL 108 3.700 -0.836 -4.677 699 3HG1 VAL 108 3HG1 VAL 108 1.934 -0.750 -4.883 700 1HG2 VAL 108 1HG2 VAL 108 3.147 1.044 -8.332 701 2HG2 VAL 108 2HG2 VAL 108 4.107 -0.397 -7.916 702 3HG2 VAL 108 3HG2 VAL 108 2.334 -0.510 -8.029 703 H ALA 109 H ALA 109 0.346 2.391 -7.864 704 HA ALA 109 HA ALA 109 -2.034 1.124 -7.120 705 1HB ALA 109 1HB ALA 109 -1.040 2.925 -9.165 706 2HB ALA 109 2HB ALA 109 -2.120 1.708 -9.888 707 3HB ALA 109 3HB ALA 109 -2.698 2.726 -8.548 708 H ILE 110 H ILE 110 -2.459 -1.022 -7.139 709 HA ILE 110 HA ILE 110 -1.228 -2.580 -9.306 710 HB ILE 110 HB ILE 110 -1.587 -3.149 -6.394 711 1HG1 ILE 110 1HG1 ILE 110 0.659 -3.697 -8.345 712 2HG1 ILE 110 2HG1 ILE 110 0.568 -2.305 -7.252 713 1HG2 ILE 110 1HG2 ILE 110 -1.212 -5.341 -8.444 714 2HG2 ILE 110 2HG2 ILE 110 -1.442 -5.501 -6.686 715 3HG2 ILE 110 3HG2 ILE 110 -2.784 -4.938 -7.711 716 1HD1 ILE 110 1HD1 ILE 110 1.961 -3.944 -6.172 717 2HD1 ILE 110 2HD1 ILE 110 0.392 -3.997 -5.332 718 3HD1 ILE 110 3HD1 ILE 110 0.806 -5.253 -6.525 719 H SER 111 H SER 111 -2.532 -4.380 -10.139 720 HA SER 111 HA SER 111 -5.292 -3.585 -10.183 721 1HB SER 111 1HB SER 111 -3.444 -5.038 -11.925 722 2HB SER 111 2HB SER 111 -5.003 -5.870 -11.791 723 HG SER 111 HG SER 111 -4.505 -3.144 -12.625 724 H PHE 112 H PHE 112 -6.445 -4.318 -8.407 725 HA PHE 112 HA PHE 112 -5.866 -6.982 -7.405 726 1HB PHE 112 1HB PHE 112 -7.786 -4.739 -6.549 727 2HB PHE 112 2HB PHE 112 -7.441 -6.179 -5.585 728 HD1 PHE 112 1HD PHE 112 -5.642 -6.185 -4.088 729 HD2 PHE 112 2HD PHE 112 -5.865 -3.149 -7.046 730 HE1 PHE 112 1HE PHE 112 -3.737 -4.974 -2.990 731 HE2 PHE 112 2HE PHE 112 -3.960 -1.938 -5.947 732 HZ PHE 112 HZ PHE 112 -2.919 -2.866 -3.932 733 H ASN 113 H ASN 113 -7.768 -8.421 -6.824 734 HA ASN 113 HA ASN 113 -10.207 -7.982 -8.135 735 1HB ASN 113 1HB ASN 113 -8.778 -8.625 -10.105 736 2HB ASN 113 2HB ASN 113 -8.400 -10.161 -9.312 737 1HD2 ASN 113 1HD2 ASN 113 -9.782 -11.809 -9.429 738 2HD2 ASN 113 2HD2 ASN 113 -11.325 -11.787 -10.216 Start of MODEL 24 1 H ALA 1 H ALA 1 16.521 4.690 -10.130 2 HA ALA 1 HA ALA 1 14.302 4.091 -9.570 3 1HB ALA 1 1HB ALA 1 15.156 3.365 -6.952 4 2HB ALA 1 2HB ALA 1 15.173 2.368 -8.426 5 3HB ALA 1 3HB ALA 1 16.597 3.342 -7.995 6 H ALA 2 H ALA 2 15.859 6.114 -6.989 7 HA ALA 2 HA ALA 2 15.001 7.832 -5.847 8 1HB ALA 2 1HB ALA 2 12.175 7.535 -6.679 9 2HB ALA 2 2HB ALA 2 13.227 8.971 -6.694 10 3HB ALA 2 3HB ALA 2 13.318 7.787 -8.020 11 HA PRO 3 HA PRO 3 13.283 5.786 -2.447 12 1HB PRO 3 1HB PRO 3 12.148 7.794 -0.986 13 2HB PRO 3 2HB PRO 3 13.880 7.467 -0.992 14 1HG PRO 3 1HG PRO 3 12.348 9.594 -2.346 15 2HG PRO 3 2HG PRO 3 14.106 9.547 -1.964 16 1HD PRO 3 1HD PRO 3 12.823 9.149 -4.493 17 2HD PRO 3 2HD PRO 3 14.542 8.937 -4.137 18 H THR 4 H THR 4 11.813 4.260 -2.952 19 HA THR 4 HA THR 4 9.153 4.775 -2.298 20 HB THR 4 HB THR 4 8.578 4.364 -4.982 21 HG1 THR 4 1HG THR 4 10.048 6.133 -5.898 22 1HG2 THR 4 1HG2 THR 4 8.236 6.471 -3.075 23 2HG2 THR 4 2HG2 THR 4 8.922 7.224 -4.535 24 3HG2 THR 4 3HG2 THR 4 7.407 6.296 -4.641 25 H ALA 5 H ALA 5 7.924 2.882 -2.215 26 HA ALA 5 HA ALA 5 9.515 0.489 -2.796 27 1HB ALA 5 1HB ALA 5 7.122 0.846 -0.950 28 2HB ALA 5 2HB ALA 5 8.174 -0.583 -1.073 29 3HB ALA 5 3HB ALA 5 8.822 0.946 -0.431 30 H THR 6 H THR 6 8.479 -1.344 -3.819 31 HA THR 6 HA THR 6 5.849 -0.898 -4.959 32 HB THR 6 HB THR 6 6.570 -0.895 -7.232 33 HG1 THR 6 1HG THR 6 8.901 -1.511 -7.602 34 1HG2 THR 6 1HG2 THR 6 8.400 0.758 -7.451 35 2HG2 THR 6 2HG2 THR 6 7.318 1.253 -6.127 36 3HG2 THR 6 3HG2 THR 6 8.878 0.481 -5.759 37 H VAL 7 H VAL 7 4.970 -2.859 -5.991 38 HA VAL 7 HA VAL 7 6.151 -5.212 -4.699 39 HB VAL 7 HB VAL 7 3.669 -4.190 -4.429 40 1HG1 VAL 7 1HG1 VAL 7 3.007 -4.504 -6.733 41 2HG1 VAL 7 2HG1 VAL 7 3.486 -6.218 -6.681 42 3HG1 VAL 7 3HG1 VAL 7 2.105 -5.650 -5.713 43 1HG2 VAL 7 1HG2 VAL 7 3.000 -6.566 -3.752 44 2HG2 VAL 7 2HG2 VAL 7 4.623 -7.058 -4.291 45 3HG2 VAL 7 3HG2 VAL 7 4.444 -5.879 -2.969 46 H THR 8 H THR 8 7.030 -6.795 -5.941 47 HA THR 8 HA THR 8 7.753 -6.574 -8.486 48 HB THR 8 HB THR 8 7.099 -8.838 -6.644 49 HG1 THR 8 1HG THR 8 9.335 -9.063 -7.054 50 1HG2 THR 8 1HG2 THR 8 8.074 -10.220 -8.808 51 2HG2 THR 8 2HG2 THR 8 6.347 -10.183 -8.377 52 3HG2 THR 8 3HG2 THR 8 6.976 -9.085 -9.628 53 HA PRO 9 HA PRO 9 3.735 -8.184 -10.266 54 1HB PRO 9 1HB PRO 9 1.653 -8.916 -8.654 55 2HB PRO 9 2HB PRO 9 2.840 -10.060 -9.278 56 1HG PRO 9 1HG PRO 9 2.570 -8.881 -6.586 57 2HG PRO 9 2HG PRO 9 3.451 -10.373 -7.075 58 1HD PRO 9 1HD PRO 9 4.531 -7.810 -6.400 59 2HD PRO 9 2HD PRO 9 5.427 -9.198 -7.030 60 H SER 10 H SER 10 1.018 -7.658 -10.005 61 HA SER 10 HA SER 10 0.224 -5.477 -8.781 62 1HB SER 10 1HB SER 10 1.862 -3.964 -9.409 63 2HB SER 10 2HB SER 10 2.088 -4.691 -11.011 64 HG SER 10 HG SER 10 0.660 -2.522 -10.397 65 H SER 11 H SER 11 -0.694 -7.870 -10.112 66 HA SER 11 HA SER 11 -2.935 -6.783 -11.410 67 1HB SER 11 1HB SER 11 -1.740 -6.618 -13.411 68 2HB SER 11 2HB SER 11 -0.769 -8.064 -13.085 69 HG SER 11 HG SER 11 -2.364 -8.455 -14.731 70 H GLY 12 H GLY 12 -4.659 -8.286 -11.343 71 1HA GLY 12 1HA GLY 12 -5.769 -10.121 -10.671 72 2HA GLY 12 2HA GLY 12 -4.448 -11.049 -11.349 73 H LEU 13 H LEU 13 -3.816 -8.693 -8.768 74 HA LEU 13 HA LEU 13 -2.833 -10.816 -7.106 75 1HB LEU 13 1HB LEU 13 -3.006 -7.849 -6.607 76 2HB LEU 13 2HB LEU 13 -2.065 -9.022 -5.670 77 HG LEU 13 HG LEU 13 -1.536 -7.816 -8.351 78 1HD1 LEU 13 1HD1 LEU 13 0.447 -7.179 -7.452 79 2HD1 LEU 13 2HD1 LEU 13 -0.480 -7.339 -5.941 80 3HD1 LEU 13 3HD1 LEU 13 0.605 -8.650 -6.463 81 1HD2 LEU 13 1HD2 LEU 13 -0.166 -9.558 -9.134 82 2HD2 LEU 13 2HD2 LEU 13 -0.243 -10.434 -7.586 83 3HD2 LEU 13 3HD2 LEU 13 -1.681 -10.346 -8.632 84 H SER 14 H SER 14 -4.546 -8.051 -5.681 85 HA SER 14 HA SER 14 -6.100 -7.989 -4.156 86 1HB SER 14 1HB SER 14 -7.622 -8.090 -5.974 87 2HB SER 14 2HB SER 14 -7.377 -9.831 -6.205 88 HG SER 14 HG SER 14 -9.419 -9.081 -5.085 89 H ASP 15 H ASP 15 -7.931 -9.761 -2.996 90 HA ASP 15 HA ASP 15 -8.060 -11.239 -1.412 91 1HB ASP 15 1HB ASP 15 -7.681 -12.680 -3.562 92 2HB ASP 15 2HB ASP 15 -6.074 -12.998 -2.892 93 HD2 ASP 15 HD2 ASP 15 -7.772 -15.730 -1.579 94 H GLY 16 H GLY 16 -5.908 -9.225 -1.203 95 1HA GLY 16 1HA GLY 16 -4.117 -8.725 0.056 96 2HA GLY 16 2HA GLY 16 -4.518 -10.127 1.027 97 H THR 17 H THR 17 -3.508 -9.916 -2.451 98 HA THR 17 HA THR 17 -1.858 -12.140 -2.350 99 HB THR 17 HB THR 17 -2.517 -9.905 -4.170 100 HG1 THR 17 1HG THR 17 -3.186 -12.165 -4.355 101 1HG2 THR 17 1HG2 THR 17 0.298 -11.021 -4.038 102 2HG2 THR 17 2HG2 THR 17 -0.449 -10.755 -5.632 103 3HG2 THR 17 3HG2 THR 17 -0.238 -9.389 -4.509 104 H VAL 18 H VAL 18 -0.580 -12.172 -0.474 105 HA VAL 18 HA VAL 18 1.174 -10.013 0.104 106 HB VAL 18 HB VAL 18 1.492 -12.829 1.095 107 1HG1 VAL 18 1HG1 VAL 18 1.570 -10.748 3.091 108 2HG1 VAL 18 2HG1 VAL 18 2.850 -11.878 2.588 109 3HG1 VAL 18 3HG1 VAL 18 2.645 -10.327 1.737 110 1HG2 VAL 18 1HG2 VAL 18 -0.759 -10.913 1.696 111 2HG2 VAL 18 2HG2 VAL 18 -0.824 -12.658 1.353 112 3HG2 VAL 18 3HG2 VAL 18 -0.200 -12.082 2.917 113 H VAL 19 H VAL 19 2.102 -9.758 -2.101 114 HA VAL 19 HA VAL 19 3.876 -11.890 -2.934 115 HB VAL 19 HB VAL 19 4.340 -10.144 -4.773 116 1HG1 VAL 19 1HG1 VAL 19 2.034 -11.910 -4.309 117 2HG1 VAL 19 2HG1 VAL 19 1.740 -10.647 -5.529 118 3HG1 VAL 19 3HG1 VAL 19 3.109 -11.770 -5.721 119 1HG2 VAL 19 1HG2 VAL 19 1.684 -8.959 -4.226 120 2HG2 VAL 19 2HG2 VAL 19 2.990 -8.438 -3.136 121 3HG2 VAL 19 3HG2 VAL 19 3.159 -8.220 -4.894 122 H LYS 20 H LYS 20 6.033 -10.490 -4.001 123 HA LYS 20 HA LYS 20 7.365 -9.707 -1.535 124 1HB LYS 20 1HB LYS 20 8.077 -11.289 -3.722 125 2HB LYS 20 2HB LYS 20 9.050 -9.818 -3.895 126 1HG LYS 20 1HG LYS 20 10.239 -10.226 -1.975 127 2HG LYS 20 2HG LYS 20 8.861 -10.955 -1.134 128 1HD LYS 20 1HD LYS 20 10.236 -12.806 -1.468 129 2HD LYS 20 2HD LYS 20 9.197 -12.905 -2.900 130 1HE LYS 20 1HE LYS 20 10.885 -12.054 -4.321 131 2HE LYS 20 2HE LYS 20 11.814 -11.366 -2.980 132 1HZ LYS 20 1HZ LYS 20 12.665 -13.385 -2.478 133 2HZ LYS 20 2HZ LYS 20 11.385 -14.232 -3.034 134 3HZ LYS 20 3HZ LYS 20 12.468 -13.607 -4.084 135 H VAL 21 H VAL 21 8.251 -7.676 -1.169 136 HA VAL 21 HA VAL 21 7.770 -5.705 -3.291 137 HB VAL 21 HB VAL 21 6.199 -5.846 -1.154 138 1HG1 VAL 21 1HG1 VAL 21 8.472 -4.073 -0.196 139 2HG1 VAL 21 2HG1 VAL 21 6.915 -4.339 0.624 140 3HG1 VAL 21 3HG1 VAL 21 8.072 -5.681 0.455 141 1HG2 VAL 21 1HG2 VAL 21 7.263 -3.206 -2.213 142 2HG2 VAL 21 2HG2 VAL 21 6.066 -4.230 -3.041 143 3HG2 VAL 21 3HG2 VAL 21 5.674 -3.500 -1.466 144 H ALA 22 H ALA 22 9.376 -4.111 -3.540 145 HA ALA 22 HA ALA 22 11.625 -4.231 -1.687 146 1HB ALA 22 1HB ALA 22 11.644 -5.618 -4.113 147 2HB ALA 22 2HB ALA 22 12.493 -4.098 -4.483 148 3HB ALA 22 3HB ALA 22 13.070 -5.141 -3.160 149 H GLY 23 H GLY 23 12.985 -2.296 -1.804 150 1HA GLY 23 1HA GLY 23 13.448 -0.158 -2.663 151 2HA GLY 23 2HA GLY 23 11.849 -0.088 -3.378 152 H ALA 24 H ALA 24 12.120 2.133 -2.160 153 HA ALA 24 HA ALA 24 10.318 2.687 -0.445 154 1HB ALA 24 1HB ALA 24 11.321 2.295 1.905 155 2HB ALA 24 2HB ALA 24 10.624 0.889 1.065 156 3HB ALA 24 3HB ALA 24 12.389 1.114 1.111 157 H GLY 25 H GLY 25 11.653 4.003 1.796 158 1HA GLY 25 1HA GLY 25 12.527 6.340 0.536 159 2HA GLY 25 2HA GLY 25 12.724 5.930 2.228 160 H LEU 26 H LEU 26 14.118 3.339 0.721 161 HA LEU 26 HA LEU 26 16.242 2.684 0.649 162 1HB LEU 26 1HB LEU 26 16.066 3.346 -1.566 163 2HB LEU 26 2HB LEU 26 16.163 5.071 -1.173 164 HG LEU 26 HG LEU 26 18.583 3.940 -0.285 165 1HD1 LEU 26 1HD1 LEU 26 18.110 3.050 -3.131 166 2HD1 LEU 26 2HD1 LEU 26 19.481 2.680 -2.057 167 3HD1 LEU 26 3HD1 LEU 26 17.881 1.968 -1.737 168 1HD2 LEU 26 1HD2 LEU 26 19.590 5.389 -1.913 169 2HD2 LEU 26 2HD2 LEU 26 18.079 5.469 -2.850 170 3HD2 LEU 26 3HD2 LEU 26 18.163 6.205 -1.232 171 H GLN 27 H GLN 27 16.197 3.319 3.073 172 HA GLN 27 HA GLN 27 17.820 5.628 3.615 173 1HB GLN 27 1HB GLN 27 15.940 5.276 5.075 174 2HB GLN 27 2HB GLN 27 16.421 3.602 5.407 175 1HG GLN 27 1HG GLN 27 17.443 4.453 7.242 176 2HG GLN 27 2HG GLN 27 18.690 5.035 6.128 177 1HE2 GLN 27 1HE2 GLN 27 19.159 6.780 7.445 178 2HE2 GLN 27 2HE2 GLN 27 18.133 8.170 7.582 179 H ALA 28 H ALA 28 18.137 2.785 5.683 180 HA ALA 28 HA ALA 28 20.175 1.385 4.613 181 1HB ALA 28 1HB ALA 28 21.919 2.794 4.419 182 2HB ALA 28 2HB ALA 28 21.046 4.088 5.274 183 3HB ALA 28 3HB ALA 28 21.959 2.871 6.198 184 H GLY 29 H GLY 29 18.685 0.058 5.944 185 1HA GLY 29 1HA GLY 29 18.485 -1.296 7.745 186 2HA GLY 29 2HA GLY 29 19.834 -0.479 8.510 187 H THR 30 H THR 30 16.397 0.205 7.526 188 HA THR 30 HA THR 30 15.915 1.212 10.220 189 HB THR 30 HB THR 30 16.535 2.951 8.098 190 HG1 THR 30 1HG THR 30 14.952 3.056 10.557 191 1HG2 THR 30 1HG2 THR 30 14.486 4.114 7.554 192 2HG2 THR 30 2HG2 THR 30 14.160 2.398 7.208 193 3HG2 THR 30 3HG2 THR 30 13.547 3.137 8.708 194 H ALA 31 H ALA 31 13.481 1.716 10.484 195 HA ALA 31 HA ALA 31 12.117 -0.624 9.493 196 1HB ALA 31 1HB ALA 31 10.995 1.583 11.246 197 2HB ALA 31 2HB ALA 31 10.507 -0.126 11.167 198 3HB ALA 31 3HB ALA 31 12.071 0.321 11.889 199 H TYR 32 H TYR 32 10.152 -0.590 8.260 200 HA TYR 32 HA TYR 32 9.412 1.975 7.097 201 1HB TYR 32 1HB TYR 32 10.541 -0.532 5.766 202 2HB TYR 32 2HB TYR 32 9.436 0.500 4.852 203 HD1 TYR 32 1HD TYR 32 10.478 3.149 6.109 204 HD2 TYR 32 2HD TYR 32 12.445 -0.214 4.339 205 HE1 TYR 32 1HE TYR 32 12.437 4.631 5.452 206 HE2 TYR 32 2HE TYR 32 14.397 1.280 3.689 207 HH TYR 32 HH TYR 32 14.200 4.707 3.925 208 H ASP 33 H ASP 33 7.558 1.494 8.583 209 HA ASP 33 HA ASP 33 6.022 -0.647 8.643 210 1HB ASP 33 1HB ASP 33 5.742 1.996 9.363 211 2HB ASP 33 2HB ASP 33 4.447 1.837 8.165 212 HD2 ASP 33 HD2 ASP 33 4.016 -0.646 11.230 213 H VAL 34 H VAL 34 4.343 -1.613 7.336 214 HA VAL 34 HA VAL 34 4.553 -1.039 4.533 215 HB VAL 34 HB VAL 34 3.317 -3.109 6.279 216 1HG1 VAL 34 1HG1 VAL 34 1.395 -2.865 5.015 217 2HG1 VAL 34 2HG1 VAL 34 2.283 -2.323 3.570 218 3HG1 VAL 34 3HG1 VAL 34 2.308 -4.040 4.037 219 1HG2 VAL 34 1HG2 VAL 34 5.521 -3.562 5.496 220 2HG2 VAL 34 2HG2 VAL 34 4.423 -4.588 4.542 221 3HG2 VAL 34 3HG2 VAL 34 5.099 -3.103 3.828 222 H GLY 35 H GLY 35 2.782 -0.418 3.140 223 1HA GLY 35 1HA GLY 35 0.626 1.007 4.585 224 2HA GLY 35 2HA GLY 35 1.455 1.672 3.192 225 H GLN 36 H GLN 36 -0.926 1.751 2.441 226 HA GLN 36 HA GLN 36 -1.369 0.246 0.350 227 1HB GLN 36 1HB GLN 36 -1.389 -1.876 1.288 228 2HB GLN 36 2HB GLN 36 -2.145 -1.334 2.796 229 1HG GLN 36 1HG GLN 36 -4.107 -2.074 1.964 230 2HG GLN 36 2HG GLN 36 -4.041 -0.754 0.785 231 1HE2 GLN 36 1HE2 GLN 36 -4.436 -1.433 -1.167 232 2HE2 GLN 36 2HE2 GLN 36 -3.910 -2.913 -1.898 233 H CYS 37 H CYS 37 -2.677 1.787 -0.543 234 HA CYS 37 HA CYS 37 -5.024 2.555 1.038 235 1HB CYS 37 1HB CYS 37 -3.539 4.282 -0.936 236 2HB CYS 37 2HB CYS 37 -4.936 4.756 0.048 237 H ALA 38 H ALA 38 -6.629 3.716 -0.791 238 HA ALA 38 HA ALA 38 -6.596 2.108 -3.217 239 1HB ALA 38 1HB ALA 38 -8.498 0.929 -2.778 240 2HB ALA 38 2HB ALA 38 -8.016 1.185 -1.084 241 3HB ALA 38 3HB ALA 38 -9.226 2.251 -1.834 242 H TRP 39 H TRP 39 -6.295 3.903 -4.529 243 HA TRP 39 HA TRP 39 -7.470 6.391 -4.070 244 1HB TRP 39 1HB TRP 39 -5.497 5.714 -5.562 245 2HB TRP 39 2HB TRP 39 -6.714 5.353 -6.790 246 HD1 TRP 39 HD TRP 39 -8.635 7.849 -6.497 247 HE1 TRP 39 1HE TRP 39 -7.917 10.311 -7.116 248 HE3 TRP 39 3HE TRP 39 -3.630 7.053 -6.075 249 HZ2 TRP 39 2HZ TRP 39 -5.391 11.620 -7.354 250 HZ3 TRP 39 3HZ TRP 39 -2.107 8.977 -6.517 251 HH2 TRP 39 HH TRP 39 -2.915 11.199 -7.138 252 H VAL 40 H VAL 40 -9.559 7.076 -4.329 253 HA VAL 40 HA VAL 40 -11.327 5.301 -5.864 254 HB VAL 40 HB VAL 40 -11.943 7.190 -3.582 255 1HG1 VAL 40 1HG1 VAL 40 -13.707 5.339 -5.211 256 2HG1 VAL 40 2HG1 VAL 40 -14.183 6.015 -3.635 257 3HG1 VAL 40 3HG1 VAL 40 -13.857 7.101 -5.006 258 1HG2 VAL 40 1HG2 VAL 40 -12.573 4.909 -2.491 259 2HG2 VAL 40 2HG2 VAL 40 -11.498 4.213 -3.727 260 3HG2 VAL 40 3HG2 VAL 40 -10.864 5.398 -2.559 261 H ASP 41 H ASP 41 -12.479 8.431 -4.834 262 HA ASP 41 HA ASP 41 -13.125 9.178 -7.394 263 1HB ASP 41 1HB ASP 41 -13.707 10.073 -4.891 264 2HB ASP 41 2HB ASP 41 -12.588 11.349 -5.399 265 HD2 ASP 41 HD2 ASP 41 -16.194 11.835 -6.399 266 H THR 42 H THR 42 -12.233 11.995 -7.436 267 HA THR 42 HA THR 42 -9.603 11.585 -8.548 268 HB THR 42 HB THR 42 -11.605 13.886 -8.395 269 HG1 THR 42 1HG THR 42 -11.568 13.327 -10.708 270 1HG2 THR 42 1HG2 THR 42 -10.147 15.284 -9.619 271 2HG2 THR 42 2HG2 THR 42 -9.015 14.539 -8.464 272 3HG2 THR 42 3HG2 THR 42 -9.119 13.924 -10.131 273 H GLY 43 H GLY 43 -11.074 13.134 -5.677 274 1HA GLY 43 1HA GLY 43 -8.325 13.700 -4.732 275 2HA GLY 43 2HA GLY 43 -9.711 14.715 -4.386 276 H VAL 44 H VAL 44 -10.032 11.172 -4.505 277 HA VAL 44 HA VAL 44 -10.137 11.151 -1.570 278 HB VAL 44 HB VAL 44 -11.997 9.708 -3.468 279 1HG1 VAL 44 1HG1 VAL 44 -11.847 9.866 -0.445 280 2HG1 VAL 44 2HG1 VAL 44 -13.294 9.313 -1.323 281 3HG1 VAL 44 3HG1 VAL 44 -11.762 8.420 -1.478 282 1HG2 VAL 44 1HG2 VAL 44 -13.264 11.631 -1.701 283 2HG2 VAL 44 2HG2 VAL 44 -12.047 12.418 -2.733 284 3HG2 VAL 44 3HG2 VAL 44 -13.364 11.475 -3.472 285 H LEU 45 H LEU 45 -8.864 9.620 -0.637 286 HA LEU 45 HA LEU 45 -8.117 7.322 -2.279 287 1HB LEU 45 1HB LEU 45 -6.431 9.267 -2.316 288 2HB LEU 45 2HB LEU 45 -6.049 8.769 -0.658 289 HG LEU 45 HG LEU 45 -5.988 6.429 -2.245 290 1HD1 LEU 45 1HD1 LEU 45 -4.708 6.842 -4.119 291 2HD1 LEU 45 2HD1 LEU 45 -5.806 8.243 -4.113 292 3HD1 LEU 45 3HD1 LEU 45 -4.137 8.418 -3.520 293 1HD2 LEU 45 1HD2 LEU 45 -3.594 8.009 -1.295 294 2HD2 LEU 45 2HD2 LEU 45 -4.649 7.087 -0.196 295 3HD2 LEU 45 3HD2 LEU 45 -3.756 6.247 -1.488 296 H ALA 46 H ALA 46 -9.268 5.808 -1.134 297 HA ALA 46 HA ALA 46 -9.524 5.937 1.683 298 1HB ALA 46 1HB ALA 46 -11.034 4.276 1.340 299 2HB ALA 46 2HB ALA 46 -10.820 4.670 -0.382 300 3HB ALA 46 3HB ALA 46 -9.908 3.325 0.342 301 H CYS 47 H CYS 47 -7.426 6.095 2.601 302 HA CYS 47 HA CYS 47 -5.414 4.226 1.896 303 1HB CYS 47 1HB CYS 47 -5.703 6.548 3.618 304 2HB CYS 47 2HB CYS 47 -4.703 5.284 4.355 305 H ASN 48 H ASN 48 -4.475 2.639 3.509 306 HA ASN 48 HA ASN 48 -6.629 1.565 5.156 307 1HB ASN 48 1HB ASN 48 -5.684 0.232 3.100 308 2HB ASN 48 2HB ASN 48 -4.270 -0.063 4.123 309 1HD2 ASN 48 1HD2 ASN 48 -4.875 -2.299 3.875 310 2HD2 ASN 48 2HD2 ASN 48 -6.069 -3.008 4.911 311 HA PRO 49 HA PRO 49 -3.150 2.709 7.877 312 1HB PRO 49 1HB PRO 49 -4.615 3.987 9.797 313 2HB PRO 49 2HB PRO 49 -3.854 4.826 8.445 314 1HG PRO 49 1HG PRO 49 -6.680 4.096 8.876 315 2HG PRO 49 2HG PRO 49 -5.998 5.342 7.769 316 1HD PRO 49 1HD PRO 49 -7.040 2.756 7.115 317 2HD PRO 49 2HD PRO 49 -6.235 3.880 6.011 318 H ALA 50 H ALA 50 -4.496 0.194 7.592 319 HA ALA 50 HA ALA 50 -4.279 -0.589 10.407 320 1HB ALA 50 1HB ALA 50 -6.213 -2.266 9.195 321 2HB ALA 50 2HB ALA 50 -6.477 -1.050 10.467 322 3HB ALA 50 3HB ALA 50 -6.660 -0.600 8.755 323 H ASP 51 H ASP 51 -2.888 -0.676 7.476 324 HA ASP 51 HA ASP 51 -2.709 -3.205 6.618 325 1HB ASP 51 1HB ASP 51 -0.178 -2.556 6.210 326 2HB ASP 51 2HB ASP 51 -1.462 -1.678 5.363 327 HD2 ASP 51 HD2 ASP 51 0.478 0.235 8.274 328 H PHE 52 H PHE 52 -0.840 -1.616 9.298 329 HA PHE 52 HA PHE 52 0.122 -2.450 11.106 330 1HB PHE 52 1HB PHE 52 -0.881 -5.176 10.107 331 2HB PHE 52 2HB PHE 52 -0.426 -4.790 11.771 332 HD1 PHE 52 1HD PHE 52 -3.085 -5.926 10.580 333 HD2 PHE 52 2HD PHE 52 -1.850 -2.057 11.808 334 HE1 PHE 52 1HE PHE 52 -5.470 -5.322 11.075 335 HE2 PHE 52 2HE PHE 52 -4.235 -1.453 12.303 336 HZ PHE 52 HZ PHE 52 -6.017 -3.093 11.931 337 H SER 53 H SER 53 0.468 -4.448 8.127 338 HA SER 53 HA SER 53 2.670 -5.841 8.632 339 1HB SER 53 1HB SER 53 1.614 -4.452 6.208 340 2HB SER 53 2HB SER 53 3.275 -5.062 6.103 341 HG SER 53 HG SER 53 0.899 -6.580 6.776 342 H SER 54 H SER 54 5.027 -5.410 7.820 343 HA SER 54 HA SER 54 5.842 -2.695 7.858 344 1HB SER 54 1HB SER 54 7.384 -3.000 9.843 345 2HB SER 54 2HB SER 54 5.661 -2.909 10.253 346 HG SER 54 HG SER 54 6.023 -4.748 11.286 347 H VAL 55 H VAL 55 8.076 -2.475 7.147 348 HA VAL 55 HA VAL 55 9.411 -5.002 6.524 349 HB VAL 55 HB VAL 55 8.375 -4.584 4.489 350 1HG1 VAL 55 1HG1 VAL 55 8.199 -2.384 3.412 351 2HG1 VAL 55 2HG1 VAL 55 7.444 -2.377 5.024 352 3HG1 VAL 55 3HG1 VAL 55 9.045 -1.637 4.789 353 1HG2 VAL 55 1HG2 VAL 55 10.157 -3.854 2.952 354 2HG2 VAL 55 2HG2 VAL 55 11.066 -3.184 4.328 355 3HG2 VAL 55 3HG2 VAL 55 10.781 -4.938 4.219 356 H THR 56 H THR 56 11.770 -4.576 5.884 357 HA THR 56 HA THR 56 12.756 -2.155 7.234 358 HB THR 56 HB THR 56 13.466 -5.084 7.649 359 HG1 THR 56 1HG THR 56 13.395 -4.051 9.885 360 1HG2 THR 56 1HG2 THR 56 15.304 -3.852 9.186 361 2HG2 THR 56 2HG2 THR 56 15.689 -4.339 7.518 362 3HG2 THR 56 3HG2 THR 56 15.247 -2.652 7.874 363 H ALA 57 H ALA 57 14.812 -1.360 6.500 364 HA ALA 57 HA ALA 57 15.047 -1.545 3.696 365 1HB ALA 57 1HB ALA 57 16.999 -0.064 4.058 366 2HB ALA 57 2HB ALA 57 15.584 0.479 4.993 367 3HB ALA 57 3HB ALA 57 16.911 -0.385 5.807 368 H ASP 58 H ASP 58 17.584 -1.806 2.905 369 HA ASP 58 HA ASP 58 18.590 -4.235 4.121 370 1HB ASP 58 1HB ASP 58 18.924 -5.237 1.864 371 2HB ASP 58 2HB ASP 58 17.212 -5.009 2.246 372 HD2 ASP 58 HD2 ASP 58 17.515 -3.856 -1.088 373 H ALA 59 H ALA 59 20.887 -4.249 4.118 374 HA ALA 59 HA ALA 59 22.536 -2.370 4.173 375 1HB ALA 59 1HB ALA 59 24.104 -3.706 2.494 376 2HB ALA 59 2HB ALA 59 23.595 -4.427 4.040 377 3HB ALA 59 3HB ALA 59 22.765 -4.878 2.531 378 H ASN 60 H ASN 60 21.435 -0.465 3.265 379 HA ASN 60 HA ASN 60 22.625 0.765 1.329 380 1HB ASN 60 1HB ASN 60 22.288 -0.818 -0.414 381 2HB ASN 60 2HB ASN 60 20.615 -1.136 0.062 382 1HD2 ASN 60 1HD2 ASN 60 19.820 -0.740 -1.973 383 2HD2 ASN 60 2HD2 ASN 60 19.712 0.841 -2.672 384 H GLY 61 H GLY 61 19.382 -0.330 2.416 385 1HA GLY 61 1HA GLY 61 18.124 1.375 3.659 386 2HA GLY 61 2HA GLY 61 18.452 2.481 2.340 387 H SER 62 H SER 62 18.181 -0.202 0.573 388 HA SER 62 HA SER 62 15.523 0.384 -0.155 389 1HB SER 62 1HB SER 62 17.777 -1.120 -1.194 390 2HB SER 62 2HB SER 62 16.293 -2.077 -1.348 391 HG SER 62 HG SER 62 16.349 -0.850 -3.198 392 H ALA 63 H ALA 63 13.611 -0.757 0.288 393 HA ALA 63 HA ALA 63 13.762 -2.599 2.497 394 1HB ALA 63 1HB ALA 63 12.017 -0.649 1.832 395 2HB ALA 63 2HB ALA 63 11.197 -2.035 1.076 396 3HB ALA 63 3HB ALA 63 11.557 -2.057 2.818 397 H SER 64 H SER 64 12.673 -4.738 2.442 398 HA SER 64 HA SER 64 12.130 -5.846 -0.111 399 1HB SER 64 1HB SER 64 13.862 -7.604 -0.035 400 2HB SER 64 2HB SER 64 14.593 -5.993 -0.142 401 HG SER 64 HG SER 64 14.278 -7.588 2.258 402 H THR 65 H THR 65 10.392 -7.165 0.284 403 HA THR 65 HA THR 65 10.387 -9.222 2.147 404 HB THR 65 HB THR 65 10.382 -7.286 3.787 405 HG1 THR 65 1HG THR 65 8.342 -8.196 4.800 406 1HG2 THR 65 1HG2 THR 65 7.904 -6.629 2.182 407 2HG2 THR 65 2HG2 THR 65 7.854 -6.383 3.944 408 3HG2 THR 65 3HG2 THR 65 9.063 -5.525 2.958 409 H SER 66 H SER 66 7.381 -8.470 2.730 410 HA SER 66 HA SER 66 6.428 -8.884 0.024 411 1HB SER 66 1HB SER 66 5.919 -10.683 2.412 412 2HB SER 66 2HB SER 66 4.815 -10.649 1.024 413 HG SER 66 HG SER 66 6.475 -12.333 0.902 414 H LEU 67 H LEU 67 4.362 -7.961 -0.360 415 HA LEU 67 HA LEU 67 3.190 -6.606 1.969 416 1HB LEU 67 1HB LEU 67 3.891 -5.647 -0.741 417 2HB LEU 67 2HB LEU 67 2.374 -5.053 -0.043 418 HG LEU 67 HG LEU 67 4.757 -3.840 0.252 419 1HD1 LEU 67 1HD1 LEU 67 3.746 -2.838 2.395 420 2HD1 LEU 67 2HD1 LEU 67 2.822 -2.698 0.880 421 3HD1 LEU 67 3HD1 LEU 67 2.370 -3.925 2.089 422 1HD2 LEU 67 1HD2 LEU 67 4.521 -5.488 2.782 423 2HD2 LEU 67 2HD2 LEU 67 5.681 -5.819 1.472 424 3HD2 LEU 67 3HD2 LEU 67 5.770 -4.287 2.373 425 H THR 68 H THR 68 0.989 -6.825 2.291 426 HA THR 68 HA THR 68 -0.281 -8.874 0.669 427 HB THR 68 HB THR 68 -0.512 -9.203 3.029 428 HG1 THR 68 1HG THR 68 -2.610 -9.403 2.219 429 1HG2 THR 68 1HG2 THR 68 -0.095 -7.349 4.337 430 2HG2 THR 68 2HG2 THR 68 -0.648 -6.227 3.071 431 3HG2 THR 68 3HG2 THR 68 -1.833 -7.024 4.133 432 H VAL 69 H VAL 69 -0.736 -7.946 -1.322 433 HA VAL 69 HA VAL 69 -1.924 -5.393 -1.531 434 HB VAL 69 HB VAL 69 -2.073 -7.618 -3.557 435 1HG1 VAL 69 1HG1 VAL 69 -2.337 -4.653 -3.571 436 2HG1 VAL 69 2HG1 VAL 69 -1.490 -5.391 -4.952 437 3HG1 VAL 69 3HG1 VAL 69 -3.155 -5.886 -4.561 438 1HG2 VAL 69 1HG2 VAL 69 0.211 -6.202 -4.192 439 2HG2 VAL 69 2HG2 VAL 69 0.315 -6.342 -2.420 440 3HG2 VAL 69 3HG2 VAL 69 0.161 -7.806 -3.422 441 H ARG 70 H ARG 70 -3.507 -5.951 0.344 442 HA ARG 70 HA ARG 70 -5.574 -7.713 -0.115 443 1HB ARG 70 1HB ARG 70 -6.804 -6.159 1.577 444 2HB ARG 70 2HB ARG 70 -5.307 -6.935 2.121 445 1HG ARG 70 1HG ARG 70 -4.565 -4.498 0.842 446 2HG ARG 70 2HG ARG 70 -5.930 -4.109 1.902 447 1HD ARG 70 1HD ARG 70 -4.534 -4.163 3.672 448 2HD ARG 70 2HD ARG 70 -4.193 -5.871 3.357 449 HE ARG 70 HE ARG 70 -2.607 -4.504 1.527 450 1HH1 ARG 70 1HH1 ARG 70 -2.972 -4.419 5.026 451 2HH1 ARG 70 2HH1 ARG 70 -1.332 -3.945 5.313 452 1HH2 ARG 70 1HH2 ARG 70 -0.441 -3.879 1.906 453 2HH2 ARG 70 2HH2 ARG 70 0.118 -3.636 3.527 454 H ARG 71 H ARG 71 -7.521 -7.555 -1.257 455 HA ARG 71 HA ARG 71 -7.794 -5.159 -2.835 456 1HB ARG 71 1HB ARG 71 -7.918 -7.195 -4.107 457 2HB ARG 71 2HB ARG 71 -9.065 -7.930 -2.973 458 1HG ARG 71 1HG ARG 71 -9.999 -5.369 -4.099 459 2HG ARG 71 2HG ARG 71 -9.724 -6.608 -5.338 460 1HD ARG 71 1HD ARG 71 -11.041 -7.930 -3.204 461 2HD ARG 71 2HD ARG 71 -11.886 -6.383 -3.384 462 HE ARG 71 HE ARG 71 -11.540 -7.390 -5.988 463 1HH1 ARG 71 1HH1 ARG 71 -13.147 -8.433 -3.035 464 2HH1 ARG 71 2HH1 ARG 71 -14.370 -9.333 -3.867 465 1HH2 ARG 71 1HH2 ARG 71 -13.154 -8.578 -7.086 466 2HH2 ARG 71 2HH2 ARG 71 -14.374 -9.417 -6.187 467 H SER 72 H SER 72 -10.259 -7.434 -1.426 468 HA SER 72 HA SER 72 -12.066 -5.316 -1.039 469 1HB SER 72 1HB SER 72 -12.232 -8.066 -1.222 470 2HB SER 72 2HB SER 72 -12.561 -7.800 0.500 471 HG SER 72 HG SER 72 -14.330 -6.496 -0.034 472 H PHE 73 H PHE 73 -11.591 -3.749 0.483 473 HA PHE 73 HA PHE 73 -11.334 -4.637 3.217 474 1HB PHE 73 1HB PHE 73 -9.169 -3.733 3.535 475 2HB PHE 73 2HB PHE 73 -9.013 -4.326 1.877 476 HD1 PHE 73 1HD PHE 73 -8.166 -1.710 3.872 477 HD2 PHE 73 2HD PHE 73 -10.077 -2.422 0.150 478 HE1 PHE 73 1HE PHE 73 -7.559 0.605 3.117 479 HE2 PHE 73 2HE PHE 73 -9.469 -0.107 -0.606 480 HZ PHE 73 HZ PHE 73 -8.218 1.380 0.887 481 H GLU 74 H GLU 74 -10.946 -2.400 4.601 482 HA GLU 74 HA GLU 74 -12.954 -0.596 3.500 483 1HB GLU 74 1HB GLU 74 -13.093 0.064 6.052 484 2HB GLU 74 2HB GLU 74 -13.918 -1.391 5.467 485 1HG GLU 74 1HG GLU 74 -11.066 -1.614 6.402 486 2HG GLU 74 2HG GLU 74 -12.333 -1.453 7.624 487 HE2 GLU 74 HE2 GLU 74 -11.744 -4.959 6.267 488 H GLY 75 H GLY 75 -11.752 0.980 2.443 489 1HA GLY 75 1HA GLY 75 -9.312 1.993 3.633 490 2HA GLY 75 2HA GLY 75 -10.032 2.449 2.102 491 H PHE 76 H PHE 76 -8.979 4.319 4.037 492 HA PHE 76 HA PHE 76 -11.476 5.622 4.868 493 1HB PHE 76 1HB PHE 76 -8.743 5.195 6.088 494 2HB PHE 76 2HB PHE 76 -9.501 6.759 6.409 495 HD1 PHE 76 1HD PHE 76 -10.800 3.255 6.249 496 HD2 PHE 76 2HD PHE 76 -10.348 6.793 8.547 497 HE1 PHE 76 1HE PHE 76 -12.120 2.213 8.113 498 HE2 PHE 76 2HE PHE 76 -11.669 5.752 10.410 499 HZ PHE 76 HZ PHE 76 -12.538 3.474 10.170 500 H LEU 77 H LEU 77 -11.792 7.762 4.263 501 HA LEU 77 HA LEU 77 -10.775 8.783 2.035 502 1HB LEU 77 1HB LEU 77 -11.787 10.058 4.534 503 2HB LEU 77 2HB LEU 77 -11.172 11.082 3.224 504 HG LEU 77 HG LEU 77 -13.720 10.512 3.423 505 1HD1 LEU 77 1HD1 LEU 77 -13.456 10.210 0.678 506 2HD1 LEU 77 2HD1 LEU 77 -13.529 11.745 1.577 507 3HD1 LEU 77 3HD1 LEU 77 -11.953 11.030 1.164 508 1HD2 LEU 77 1HD2 LEU 77 -14.243 8.541 1.871 509 2HD2 LEU 77 2HD2 LEU 77 -12.582 7.999 2.207 510 3HD2 LEU 77 3HD2 LEU 77 -13.747 8.175 3.541 511 H PHE 78 H PHE 78 -9.428 9.602 5.315 512 HA PHE 78 HA PHE 78 -6.873 9.160 5.025 513 1HB PHE 78 1HB PHE 78 -6.467 10.250 2.976 514 2HB PHE 78 2HB PHE 78 -7.777 11.409 3.221 515 HD1 PHE 78 1HD PHE 78 -7.240 13.595 3.760 516 HD2 PHE 78 2HD PHE 78 -4.391 10.545 4.527 517 HE1 PHE 78 1HE PHE 78 -5.557 15.334 4.425 518 HE2 PHE 78 2HE PHE 78 -2.708 12.285 5.192 519 HZ PHE 78 HZ PHE 78 -3.311 14.659 5.133 520 H ASP 79 H ASP 79 -9.332 11.595 5.789 521 HA ASP 79 HA ASP 79 -8.585 11.770 8.407 522 1HB ASP 79 1HB ASP 79 -6.644 13.050 7.112 523 2HB ASP 79 2HB ASP 79 -7.824 14.369 7.062 524 HD2 ASP 79 HD2 ASP 79 -7.640 14.183 10.761 525 H GLY 80 H GLY 80 -11.033 11.450 7.601 526 1HA GLY 80 1HA GLY 80 -12.490 13.759 8.308 527 2HA GLY 80 2HA GLY 80 -12.516 13.574 6.565 528 H THR 81 H THR 81 -12.833 11.053 5.893 529 HA THR 81 HA THR 81 -14.829 9.853 7.669 530 HB THR 81 HB THR 81 -15.212 10.498 4.697 531 HG1 THR 81 1HG THR 81 -16.623 11.311 7.134 532 1HG2 THR 81 1HG2 THR 81 -16.519 8.530 5.076 533 2HG2 THR 81 2HG2 THR 81 -16.861 8.983 6.763 534 3HG2 THR 81 3HG2 THR 81 -17.654 9.855 5.430 535 H ARG 82 H ARG 82 -15.494 7.604 6.662 536 HA ARG 82 HA ARG 82 -13.070 6.441 5.560 537 1HB ARG 82 1HB ARG 82 -13.432 4.443 7.021 538 2HB ARG 82 2HB ARG 82 -13.124 5.907 7.970 539 1HG ARG 82 1HG ARG 82 -15.012 5.387 9.101 540 2HG ARG 82 2HG ARG 82 -15.903 5.910 7.660 541 1HD ARG 82 1HD ARG 82 -16.146 3.689 6.870 542 2HD ARG 82 2HD ARG 82 -14.836 3.074 7.889 543 HE ARG 82 HE ARG 82 -16.767 4.088 9.658 544 1HH1 ARG 82 1HH1 ARG 82 -16.655 1.613 7.159 545 2HH1 ARG 82 2HH1 ARG 82 -17.871 0.628 7.901 546 1HH2 ARG 82 1HH2 ARG 82 -18.370 2.788 10.638 547 2HH2 ARG 82 2HH2 ARG 82 -18.853 1.300 9.894 548 H TRP 83 H TRP 83 -13.452 5.044 3.829 549 HA TRP 83 HA TRP 83 -15.999 4.959 2.685 550 1HB TRP 83 1HB TRP 83 -13.345 3.767 2.165 551 2HB TRP 83 2HB TRP 83 -14.725 2.925 1.460 552 HD1 TRP 83 HD TRP 83 -12.352 5.518 0.528 553 HE1 TRP 83 1HE TRP 83 -13.161 7.095 -1.426 554 HE3 TRP 83 3HE TRP 83 -17.253 4.189 0.782 555 HZ2 TRP 83 2HZ TRP 83 -15.704 7.598 -2.620 556 HZ3 TRP 83 3HZ TRP 83 -18.834 5.270 -0.814 557 HH2 TRP 83 HH TRP 83 -18.130 6.920 -2.474 558 H GLY 84 H GLY 84 -14.254 1.890 3.281 559 1HA GLY 84 1HA GLY 84 -14.876 0.347 5.008 560 2HA GLY 84 2HA GLY 84 -16.513 0.970 4.949 561 H THR 85 H THR 85 -15.578 -1.831 4.595 562 HA THR 85 HA THR 85 -15.377 -3.388 2.842 563 HB THR 85 HB THR 85 -18.086 -2.600 3.835 564 HG1 THR 85 1HG THR 85 -17.785 -4.735 4.627 565 1HG2 THR 85 1HG2 THR 85 -19.062 -3.179 1.791 566 2HG2 THR 85 2HG2 THR 85 -17.641 -4.118 1.269 567 3HG2 THR 85 3HG2 THR 85 -18.788 -4.816 2.437 568 H VAL 86 H VAL 86 -14.190 -2.124 1.222 569 HA VAL 86 HA VAL 86 -15.967 -1.552 -1.044 570 HB VAL 86 HB VAL 86 -14.993 0.472 0.200 571 1HG1 VAL 86 1HG1 VAL 86 -12.738 -0.249 0.572 572 2HG1 VAL 86 2HG1 VAL 86 -12.495 -0.583 -1.160 573 3HG1 VAL 86 3HG1 VAL 86 -12.683 1.094 -0.595 574 1HG2 VAL 86 1HG2 VAL 86 -16.036 0.616 -2.006 575 2HG2 VAL 86 2HG2 VAL 86 -14.616 1.684 -1.916 576 3HG2 VAL 86 3HG2 VAL 86 -14.509 0.131 -2.780 577 H ASP 87 H ASP 87 -15.242 -2.293 -3.061 578 HA ASP 87 HA ASP 87 -13.270 -4.338 -2.857 579 1HB ASP 87 1HB ASP 87 -15.337 -3.442 -4.786 580 2HB ASP 87 2HB ASP 87 -13.893 -4.122 -5.552 581 HD2 ASP 87 HD2 ASP 87 -15.107 -7.257 -5.016 582 H CYS 88 H CYS 88 -11.128 -3.574 -2.844 583 HA CYS 88 HA CYS 88 -10.224 -1.203 -3.775 584 1HB CYS 88 1HB CYS 88 -8.994 -3.852 -3.283 585 2HB CYS 88 2HB CYS 88 -8.031 -2.679 -4.200 586 H THR 89 H THR 89 -10.731 -4.304 -5.541 587 HA THR 89 HA THR 89 -9.491 -3.689 -7.926 588 HB THR 89 HB THR 89 -10.412 -5.915 -7.277 589 HG1 THR 89 1HG THR 89 -10.922 -6.253 -9.451 590 1HG2 THR 89 1HG2 THR 89 -12.540 -5.720 -6.319 591 2HG2 THR 89 2HG2 THR 89 -12.994 -4.354 -7.366 592 3HG2 THR 89 3HG2 THR 89 -13.013 -6.013 -8.010 593 H THR 90 H THR 90 -12.309 -2.223 -6.487 594 HA THR 90 HA THR 90 -13.279 -1.224 -9.027 595 HB THR 90 HB THR 90 -14.096 -0.813 -6.103 596 HG1 THR 90 1HG THR 90 -14.391 -2.943 -7.192 597 1HG2 THR 90 1HG2 THR 90 -16.218 -0.353 -7.993 598 2HG2 THR 90 2HG2 THR 90 -15.534 0.806 -6.829 599 3HG2 THR 90 3HG2 THR 90 -14.853 0.684 -8.469 600 H ALA 91 H ALA 91 -10.917 -0.352 -6.640 601 HA ALA 91 HA ALA 91 -10.660 2.235 -7.987 602 1HB ALA 91 1HB ALA 91 -9.861 2.509 -5.253 603 2HB ALA 91 2HB ALA 91 -11.184 3.341 -6.106 604 3HB ALA 91 3HB ALA 91 -11.493 1.798 -5.275 605 H ALA 92 H ALA 92 -9.378 -0.493 -8.236 606 HA ALA 92 HA ALA 92 -7.347 -1.483 -7.945 607 1HB ALA 92 1HB ALA 92 -7.563 0.395 -9.957 608 2HB ALA 92 2HB ALA 92 -6.043 0.870 -9.162 609 3HB ALA 92 3HB ALA 92 -6.239 -0.784 -9.793 610 H CYS 93 H CYS 93 -7.035 -1.514 -5.648 611 HA CYS 93 HA CYS 93 -6.218 0.588 -4.115 612 1HB CYS 93 1HB CYS 93 -6.290 -2.289 -3.914 613 2HB CYS 93 2HB CYS 93 -4.867 -1.633 -3.081 614 H GLN 94 H GLN 94 -3.775 0.274 -2.960 615 HA GLN 94 HA GLN 94 -1.785 -0.186 -4.948 616 1HB GLN 94 1HB GLN 94 -0.833 2.057 -4.937 617 2HB GLN 94 2HB GLN 94 -2.519 2.143 -5.478 618 1HG GLN 94 1HG GLN 94 -1.918 2.473 -2.546 619 2HG GLN 94 2HG GLN 94 -1.553 3.825 -3.629 620 1HE2 GLN 94 1HE2 GLN 94 -3.098 5.210 -3.002 621 2HE2 GLN 94 2HE2 GLN 94 -4.804 4.952 -3.162 622 H VAL 95 H VAL 95 0.234 -0.655 -3.999 623 HA VAL 95 HA VAL 95 0.202 -0.595 -1.066 624 HB VAL 95 HB VAL 95 1.191 -2.482 -3.128 625 1HG1 VAL 95 1HG1 VAL 95 2.680 -3.375 -1.060 626 2HG1 VAL 95 2HG1 VAL 95 3.322 -2.333 -2.353 627 3HG1 VAL 95 3HG1 VAL 95 2.826 -1.621 -0.800 628 1HG2 VAL 95 1HG2 VAL 95 -0.786 -3.015 -1.820 629 2HG2 VAL 95 2HG2 VAL 95 0.533 -4.132 -1.396 630 3HG2 VAL 95 3HG2 VAL 95 0.118 -2.789 -0.304 631 H GLY 96 H GLY 96 1.629 0.691 0.004 632 1HA GLY 96 1HA GLY 96 3.999 1.637 -1.464 633 2HA GLY 96 2HA GLY 96 2.901 2.796 -0.742 634 H LEU 97 H LEU 97 5.470 2.894 0.153 635 HA LEU 97 HA LEU 97 5.653 1.232 2.528 636 1HB LEU 97 1HB LEU 97 7.523 1.766 0.840 637 2HB LEU 97 2HB LEU 97 7.633 3.322 1.684 638 HG LEU 97 HG LEU 97 9.274 1.579 2.416 639 1HD1 LEU 97 1HD1 LEU 97 7.776 3.404 3.951 640 2HD1 LEU 97 2HD1 LEU 97 7.929 1.930 4.937 641 3HD1 LEU 97 3HD1 LEU 97 9.386 2.733 4.306 642 1HD2 LEU 97 1HD2 LEU 97 7.381 0.155 4.128 643 2HD2 LEU 97 2HD2 LEU 97 7.099 -0.126 2.392 644 3HD2 LEU 97 3HD2 LEU 97 8.697 -0.464 3.100 645 H SER 98 H SER 98 5.994 2.188 4.671 646 HA SER 98 HA SER 98 4.961 4.900 4.840 647 1HB SER 98 1HB SER 98 3.714 2.439 5.828 648 2HB SER 98 2HB SER 98 3.965 3.618 7.127 649 HG SER 98 HG SER 98 2.068 3.594 5.171 650 H ASP 99 H ASP 99 6.863 5.901 5.515 651 HA ASP 99 HA ASP 99 8.262 4.599 7.709 652 1HB ASP 99 1HB ASP 99 9.809 6.769 6.861 653 2HB ASP 99 2HB ASP 99 10.075 5.074 6.424 654 HD2 ASP 99 HD2 ASP 99 9.876 6.264 3.203 655 H ALA 100 H ALA 100 9.562 6.656 8.959 656 HA ALA 100 HA ALA 100 7.373 8.215 10.041 657 1HB ALA 100 1HB ALA 100 10.198 7.529 10.847 658 2HB ALA 100 2HB ALA 100 9.373 8.915 11.601 659 3HB ALA 100 3HB ALA 100 8.677 7.282 11.737 660 H ALA 101 H ALA 101 8.726 8.604 7.259 661 HA ALA 101 HA ALA 101 8.521 11.385 7.218 662 1HB ALA 101 1HB ALA 101 10.608 12.171 7.576 663 2HB ALA 101 2HB ALA 101 10.949 10.591 8.322 664 3HB ALA 101 3HB ALA 101 11.352 10.874 6.611 665 H GLY 102 H GLY 102 7.262 9.510 5.743 666 1HA GLY 102 1HA GLY 102 7.980 10.169 3.093 667 2HA GLY 102 2HA GLY 102 8.534 8.547 3.457 668 H ASN 103 H ASN 103 6.393 7.925 5.412 669 HA ASN 103 HA ASN 103 4.654 6.626 3.905 670 1HB ASN 103 1HB ASN 103 2.953 7.167 5.884 671 2HB ASN 103 2HB ASN 103 4.414 6.223 6.213 672 1HD2 ASN 103 1HD2 ASN 103 3.768 7.078 8.398 673 2HD2 ASN 103 2HD2 ASN 103 4.470 8.574 8.918 674 H GLY 104 H GLY 104 2.151 7.114 3.642 675 1HA GLY 104 1HA GLY 104 0.559 9.010 3.580 676 2HA GLY 104 2HA GLY 104 1.821 9.927 2.782 677 HA PRO 105 HA PRO 105 -0.530 8.034 -0.561 678 1HB PRO 105 1HB PRO 105 -0.738 10.269 -2.116 679 2HB PRO 105 2HB PRO 105 -1.969 9.787 -0.951 680 1HG PRO 105 1HG PRO 105 0.081 11.901 -0.779 681 2HG PRO 105 2HG PRO 105 -1.440 11.734 0.168 682 1HD PRO 105 1HD PRO 105 1.246 11.210 1.009 683 2HD PRO 105 2HD PRO 105 -0.229 10.879 1.925 684 H GLU 106 H GLU 106 0.662 6.644 -1.695 685 HA GLU 106 HA GLU 106 2.090 7.440 -3.830 686 1HB GLU 106 1HB GLU 106 3.552 8.028 -1.423 687 2HB GLU 106 2HB GLU 106 4.414 6.753 -2.303 688 1HG GLU 106 1HG GLU 106 4.175 8.204 -4.389 689 2HG GLU 106 2HG GLU 106 3.586 9.501 -3.338 690 HE2 GLU 106 HE2 GLU 106 6.893 9.291 -1.707 691 H GLY 107 H GLY 107 0.352 5.352 -3.032 692 1HA GLY 107 1HA GLY 107 1.889 2.953 -2.559 693 2HA GLY 107 2HA GLY 107 0.161 3.090 -2.820 694 H VAL 108 H VAL 108 1.620 1.035 -4.056 695 HA VAL 108 HA VAL 108 2.127 1.935 -6.774 696 HB VAL 108 HB VAL 108 2.568 -0.638 -5.266 697 1HG1 VAL 108 1HG1 VAL 108 1.802 -1.006 -7.669 698 2HG1 VAL 108 2HG1 VAL 108 3.308 -0.200 -8.168 699 3HG1 VAL 108 3HG1 VAL 108 3.376 -1.706 -7.222 700 1HG2 VAL 108 1HG2 VAL 108 4.198 1.692 -6.021 701 2HG2 VAL 108 2HG2 VAL 108 4.453 0.473 -4.749 702 3HG2 VAL 108 3HG2 VAL 108 4.946 0.127 -6.423 703 H ALA 109 H ALA 109 0.345 2.203 -8.024 704 HA ALA 109 HA ALA 109 -2.135 1.110 -7.504 705 1HB ALA 109 1HB ALA 109 -1.164 2.974 -9.190 706 2HB ALA 109 2HB ALA 109 -1.348 1.630 -10.342 707 3HB ALA 109 3HB ALA 109 -2.755 2.212 -9.421 708 H ILE 110 H ILE 110 -2.337 -1.079 -7.131 709 HA ILE 110 HA ILE 110 -1.226 -2.840 -9.197 710 HB ILE 110 HB ILE 110 -1.851 -3.243 -6.282 711 1HG1 ILE 110 1HG1 ILE 110 0.670 -4.234 -7.345 712 2HG1 ILE 110 2HG1 ILE 110 0.466 -2.494 -7.622 713 1HG2 ILE 110 1HG2 ILE 110 -1.712 -5.265 -8.474 714 2HG2 ILE 110 2HG2 ILE 110 -0.953 -5.656 -6.912 715 3HG2 ILE 110 3HG2 ILE 110 -2.684 -5.247 -6.982 716 1HD1 ILE 110 1HD1 ILE 110 -0.391 -2.656 -5.044 717 2HD1 ILE 110 2HD1 ILE 110 0.754 -4.018 -5.065 718 3HD1 ILE 110 3HD1 ILE 110 1.311 -2.379 -5.483 719 H SER 111 H SER 111 -2.567 -4.559 -10.043 720 HA SER 111 HA SER 111 -5.308 -3.698 -10.162 721 1HB SER 111 1HB SER 111 -3.475 -4.934 -11.945 722 2HB SER 111 2HB SER 111 -4.769 -6.115 -11.675 723 HG SER 111 HG SER 111 -5.138 -3.351 -12.465 724 H PHE 112 H PHE 112 -6.653 -4.441 -8.555 725 HA PHE 112 HA PHE 112 -6.091 -7.057 -7.411 726 1HB PHE 112 1HB PHE 112 -8.055 -4.785 -6.759 727 2HB PHE 112 2HB PHE 112 -7.830 -6.215 -5.744 728 HD1 PHE 112 1HD PHE 112 -6.387 -6.050 -3.954 729 HD2 PHE 112 2HD PHE 112 -5.845 -3.431 -7.248 730 HE1 PHE 112 1HE PHE 112 -4.557 -4.864 -2.710 731 HE2 PHE 112 2HE PHE 112 -4.016 -2.244 -6.005 732 HZ PHE 112 HZ PHE 112 -3.394 -2.975 -3.751 733 H ASN 113 H ASN 113 -7.295 -8.851 -7.859 734 HA ASN 113 HA ASN 113 -8.690 -10.093 -8.998 735 1HB ASN 113 1HB ASN 113 -10.030 -9.493 -6.978 736 2HB ASN 113 2HB ASN 113 -10.720 -8.110 -7.839 737 1HD2 ASN 113 1HD2 ASN 113 -10.642 -11.554 -7.440 738 2HD2 ASN 113 2HD2 ASN 113 -12.024 -11.959 -8.403 Start of MODEL 25 1 H ALA 1 H ALA 1 10.981 4.974 -8.074 2 HA ALA 1 HA ALA 1 13.179 5.907 -9.674 3 1HB ALA 1 1HB ALA 1 12.037 7.789 -9.191 4 2HB ALA 1 2HB ALA 1 11.143 6.993 -7.874 5 3HB ALA 1 3HB ALA 1 12.750 7.692 -7.563 6 H ALA 2 H ALA 2 12.599 5.308 -6.132 7 HA ALA 2 HA ALA 2 14.750 3.818 -5.568 8 1HB ALA 2 1HB ALA 2 15.604 6.496 -6.344 9 2HB ALA 2 2HB ALA 2 16.102 6.118 -4.678 10 3HB ALA 2 3HB ALA 2 16.582 5.047 -6.016 11 HA PRO 3 HA PRO 3 13.377 6.244 -1.763 12 1HB PRO 3 1HB PRO 3 12.050 8.617 -2.018 13 2HB PRO 3 2HB PRO 3 13.792 8.509 -1.772 14 1HG PRO 3 1HG PRO 3 12.255 9.085 -4.223 15 2HG PRO 3 2HG PRO 3 13.984 9.445 -3.871 16 1HD PRO 3 1HD PRO 3 12.897 7.379 -5.531 17 2HD PRO 3 2HD PRO 3 14.597 7.594 -5.088 18 H THR 4 H THR 4 12.092 4.223 -2.604 19 HA THR 4 HA THR 4 9.621 4.345 -1.429 20 HB THR 4 HB THR 4 8.497 5.688 -2.941 21 HG1 THR 4 1HG THR 4 7.430 4.209 -4.278 22 1HG2 THR 4 1HG2 THR 4 9.271 5.417 -5.527 23 2HG2 THR 4 2HG2 THR 4 10.064 6.574 -4.432 24 3HG2 THR 4 3HG2 THR 4 10.810 4.989 -4.742 25 H ALA 5 H ALA 5 8.293 2.377 -1.837 26 HA ALA 5 HA ALA 5 10.114 0.219 -2.593 27 1HB ALA 5 1HB ALA 5 7.708 -0.770 -1.450 28 2HB ALA 5 2HB ALA 5 9.318 -0.682 -0.696 29 3HB ALA 5 3HB ALA 5 8.169 0.664 -0.502 30 H THR 6 H THR 6 8.738 -1.795 -3.495 31 HA THR 6 HA THR 6 6.616 -0.968 -5.273 32 HB THR 6 HB THR 6 7.820 -1.448 -7.321 33 HG1 THR 6 1HG THR 6 9.867 -2.510 -7.153 34 1HG2 THR 6 1HG2 THR 6 9.804 -0.016 -5.476 35 2HG2 THR 6 2HG2 THR 6 9.804 0.035 -7.255 36 3HG2 THR 6 3HG2 THR 6 8.473 0.787 -6.344 37 H VAL 7 H VAL 7 5.494 -2.764 -6.246 38 HA VAL 7 HA VAL 7 6.031 -5.239 -4.758 39 HB VAL 7 HB VAL 7 3.492 -3.968 -5.773 40 1HG1 VAL 7 1HG1 VAL 7 3.982 -6.820 -4.890 41 2HG1 VAL 7 2HG1 VAL 7 2.379 -6.054 -4.787 42 3HG1 VAL 7 3HG1 VAL 7 3.180 -6.233 -6.367 43 1HG2 VAL 7 1HG2 VAL 7 4.816 -3.811 -3.327 44 2HG2 VAL 7 2HG2 VAL 7 3.118 -3.382 -3.646 45 3HG2 VAL 7 3HG2 VAL 7 3.529 -5.008 -3.048 46 H THR 8 H THR 8 6.756 -6.944 -5.919 47 HA THR 8 HA THR 8 7.564 -6.965 -8.442 48 HB THR 8 HB THR 8 6.423 -9.043 -6.584 49 HG1 THR 8 1HG THR 8 8.630 -8.854 -6.381 50 1HG2 THR 8 1HG2 THR 8 7.612 -10.319 -8.892 51 2HG2 THR 8 2HG2 THR 8 5.994 -10.596 -8.202 52 3HG2 THR 8 3HG2 THR 8 6.230 -9.346 -9.448 53 HA PRO 9 HA PRO 9 3.463 -8.044 -10.378 54 1HB PRO 9 1HB PRO 9 1.273 -8.677 -8.873 55 2HB PRO 9 2HB PRO 9 2.386 -9.885 -9.514 56 1HG PRO 9 1HG PRO 9 2.114 -8.818 -6.777 57 2HG PRO 9 2HG PRO 9 2.891 -10.351 -7.312 58 1HD PRO 9 1HD PRO 9 4.148 -7.919 -6.475 59 2HD PRO 9 2HD PRO 9 4.951 -9.345 -7.144 60 H SER 10 H SER 10 1.317 -7.036 -10.989 61 HA SER 10 HA SER 10 0.728 -4.744 -9.391 62 1HB SER 10 1HB SER 10 1.430 -3.060 -10.801 63 2HB SER 10 2HB SER 10 2.710 -4.248 -11.107 64 HG SER 10 HG SER 10 1.411 -4.966 -12.974 65 H SER 11 H SER 11 -0.424 -7.334 -10.627 66 HA SER 11 HA SER 11 -2.967 -6.460 -11.005 67 1HB SER 11 1HB SER 11 -3.231 -6.880 -13.507 68 2HB SER 11 2HB SER 11 -2.418 -5.367 -13.063 69 HG SER 11 HG SER 11 -1.487 -7.520 -14.530 70 H GLY 12 H GLY 12 -4.435 -8.278 -11.444 71 1HA GLY 12 1HA GLY 12 -5.022 -10.453 -11.620 72 2HA GLY 12 2HA GLY 12 -3.414 -10.836 -12.203 73 H LEU 13 H LEU 13 -4.149 -9.146 -9.113 74 HA LEU 13 HA LEU 13 -2.842 -11.365 -7.734 75 1HB LEU 13 1HB LEU 13 -3.468 -8.651 -6.617 76 2HB LEU 13 2HB LEU 13 -2.299 -9.844 -6.026 77 HG LEU 13 HG LEU 13 -2.103 -7.951 -8.352 78 1HD1 LEU 13 1HD1 LEU 13 -0.199 -7.142 -7.312 79 2HD1 LEU 13 2HD1 LEU 13 -1.251 -7.540 -5.931 80 3HD1 LEU 13 3HD1 LEU 13 0.068 -8.643 -6.392 81 1HD2 LEU 13 1HD2 LEU 13 -1.571 -10.479 -8.916 82 2HD2 LEU 13 2HD2 LEU 13 -0.535 -9.154 -9.500 83 3HD2 LEU 13 3HD2 LEU 13 -0.048 -10.104 -8.075 84 H SER 14 H SER 14 -4.053 -10.392 -5.140 85 HA SER 14 HA SER 14 -6.840 -10.808 -5.470 86 1HB SER 14 1HB SER 14 -5.625 -13.139 -5.546 87 2HB SER 14 2HB SER 14 -5.469 -12.920 -3.794 88 HG SER 14 HG SER 14 -7.902 -12.980 -5.364 89 H ASP 15 H ASP 15 -7.940 -10.838 -3.210 90 HA ASP 15 HA ASP 15 -6.933 -8.725 -1.750 91 1HB ASP 15 1HB ASP 15 -9.329 -9.611 -1.870 92 2HB ASP 15 2HB ASP 15 -8.845 -10.871 -0.726 93 HD2 ASP 15 HD2 ASP 15 -9.836 -8.717 1.736 94 H GLY 16 H GLY 16 -4.777 -9.143 -0.977 95 1HA GLY 16 1HA GLY 16 -3.706 -9.715 1.087 96 2HA GLY 16 2HA GLY 16 -4.603 -11.220 1.116 97 H THR 17 H THR 17 -3.151 -9.851 -1.860 98 HA THR 17 HA THR 17 -1.682 -12.289 -2.259 99 HB THR 17 HB THR 17 -2.333 -9.758 -3.778 100 HG1 THR 17 1HG THR 17 -3.597 -11.784 -3.829 101 1HG2 THR 17 1HG2 THR 17 0.109 -11.467 -4.152 102 2HG2 THR 17 2HG2 THR 17 -0.870 -11.171 -5.608 103 3HG2 THR 17 3HG2 THR 17 -0.196 -9.799 -4.694 104 H VAL 18 H VAL 18 -0.353 -12.218 -0.302 105 HA VAL 18 HA VAL 18 1.480 -10.129 0.109 106 HB VAL 18 HB VAL 18 1.762 -13.013 0.955 107 1HG1 VAL 18 1HG1 VAL 18 2.475 -11.285 3.037 108 2HG1 VAL 18 2HG1 VAL 18 3.576 -12.209 1.986 109 3HG1 VAL 18 3HG1 VAL 18 3.150 -10.531 1.572 110 1HG2 VAL 18 1HG2 VAL 18 0.542 -11.802 3.074 111 2HG2 VAL 18 2HG2 VAL 18 -0.273 -11.003 1.707 112 3HG2 VAL 18 3HG2 VAL 18 -0.300 -12.778 1.846 113 H VAL 19 H VAL 19 2.307 -9.705 -2.060 114 HA VAL 19 HA VAL 19 4.004 -11.809 -3.146 115 HB VAL 19 HB VAL 19 4.235 -9.957 -4.968 116 1HG1 VAL 19 1HG1 VAL 19 1.683 -10.700 -5.615 117 2HG1 VAL 19 2HG1 VAL 19 3.129 -11.708 -5.861 118 3HG1 VAL 19 3HG1 VAL 19 2.118 -11.939 -4.413 119 1HG2 VAL 19 1HG2 VAL 19 1.530 -9.096 -3.988 120 2HG2 VAL 19 2HG2 VAL 19 2.988 -8.336 -3.305 121 3HG2 VAL 19 3HG2 VAL 19 2.678 -8.253 -5.056 122 H LYS 20 H LYS 20 6.215 -11.033 -4.009 123 HA LYS 20 HA LYS 20 7.665 -10.044 -1.804 124 1HB LYS 20 1HB LYS 20 8.297 -10.832 -4.624 125 2HB LYS 20 2HB LYS 20 9.525 -10.006 -3.650 126 1HG LYS 20 1HG LYS 20 9.602 -11.752 -2.062 127 2HG LYS 20 2HG LYS 20 8.028 -12.403 -2.545 128 1HD LYS 20 1HD LYS 20 9.402 -13.936 -3.585 129 2HD LYS 20 2HD LYS 20 9.316 -12.735 -4.886 130 1HE LYS 20 1HE LYS 20 11.436 -11.741 -4.124 131 2HE LYS 20 2HE LYS 20 11.510 -12.866 -2.760 132 1HZ LYS 20 1HZ LYS 20 11.188 -14.121 -5.300 133 2HZ LYS 20 2HZ LYS 20 12.584 -13.284 -5.168 134 3HZ LYS 20 3HZ LYS 20 12.235 -14.463 -4.095 135 H VAL 21 H VAL 21 8.684 -8.041 -1.455 136 HA VAL 21 HA VAL 21 8.104 -5.945 -3.398 137 HB VAL 21 HB VAL 21 7.329 -5.898 -0.476 138 1HG1 VAL 21 1HG1 VAL 21 7.552 -3.681 -0.467 139 2HG1 VAL 21 2HG1 VAL 21 8.227 -3.743 -2.113 140 3HG1 VAL 21 3HG1 VAL 21 6.472 -3.553 -1.877 141 1HG2 VAL 21 1HG2 VAL 21 5.452 -6.779 -1.388 142 2HG2 VAL 21 2HG2 VAL 21 5.136 -5.092 -1.858 143 3HG2 VAL 21 3HG2 VAL 21 5.857 -6.222 -3.030 144 H ALA 22 H ALA 22 9.660 -4.271 -3.412 145 HA ALA 22 HA ALA 22 11.747 -4.383 -1.398 146 1HB ALA 22 1HB ALA 22 13.397 -4.309 -3.465 147 2HB ALA 22 2HB ALA 22 12.808 -5.868 -2.839 148 3HB ALA 22 3HB ALA 22 12.067 -5.155 -4.292 149 H GLY 23 H GLY 23 13.079 -2.422 -1.409 150 1HA GLY 23 1HA GLY 23 13.575 -0.292 -2.318 151 2HA GLY 23 2HA GLY 23 11.994 -0.244 -3.072 152 H ALA 24 H ALA 24 12.536 1.981 -1.707 153 HA ALA 24 HA ALA 24 10.567 2.518 -0.063 154 1HB ALA 24 1HB ALA 24 11.775 2.172 2.281 155 2HB ALA 24 2HB ALA 24 10.805 0.872 1.549 156 3HB ALA 24 3HB ALA 24 12.579 0.842 1.413 157 H GLY 25 H GLY 25 11.839 3.900 2.149 158 1HA GLY 25 1HA GLY 25 12.732 6.210 0.827 159 2HA GLY 25 2HA GLY 25 12.834 5.876 2.544 160 H LEU 26 H LEU 26 14.330 3.249 1.148 161 HA LEU 26 HA LEU 26 16.455 2.602 1.188 162 1HB LEU 26 1HB LEU 26 16.392 3.350 -1.024 163 2HB LEU 26 2HB LEU 26 16.543 5.053 -0.555 164 HG LEU 26 HG LEU 26 18.866 4.009 0.433 165 1HD1 LEU 26 1HD1 LEU 26 18.170 2.438 -2.058 166 2HD1 LEU 26 2HD1 LEU 26 19.824 2.626 -1.429 167 3HD1 LEU 26 3HD1 LEU 26 18.585 1.809 -0.445 168 1HD2 LEU 26 1HD2 LEU 26 18.197 5.977 -1.253 169 2HD2 LEU 26 2HD2 LEU 26 19.874 5.425 -1.021 170 3HD2 LEU 26 3HD2 LEU 26 18.933 4.849 -2.418 171 H GLN 27 H GLN 27 16.283 3.133 3.610 172 HA GLN 27 HA GLN 27 17.970 5.395 4.274 173 1HB GLN 27 1HB GLN 27 15.734 5.035 5.405 174 2HB GLN 27 2HB GLN 27 16.412 3.586 6.168 175 1HG GLN 27 1HG GLN 27 17.454 6.437 6.443 176 2HG GLN 27 2HG GLN 27 16.567 5.538 7.682 177 1HE2 GLN 27 1HE2 GLN 27 19.539 6.479 6.605 178 2HE2 GLN 27 2HE2 GLN 27 20.558 5.311 7.377 179 H ALA 28 H ALA 28 17.594 2.312 6.099 180 HA ALA 28 HA ALA 28 19.752 0.902 5.361 181 1HB ALA 28 1HB ALA 28 21.398 1.797 7.261 182 2HB ALA 28 2HB ALA 28 21.409 2.492 5.622 183 3HB ALA 28 3HB ALA 28 20.550 3.328 6.939 184 H GLY 29 H GLY 29 18.102 -0.574 6.115 185 1HA GLY 29 1HA GLY 29 17.395 -2.090 7.629 186 2HA GLY 29 2HA GLY 29 18.520 -1.430 8.798 187 H THR 30 H THR 30 16.639 1.105 7.487 188 HA THR 30 HA THR 30 15.320 1.563 9.943 189 HB THR 30 HB THR 30 14.921 2.751 7.146 190 HG1 THR 30 1HG THR 30 17.103 2.902 8.040 191 1HG2 THR 30 1HG2 THR 30 13.097 3.442 8.681 192 2HG2 THR 30 2HG2 THR 30 14.288 3.808 9.952 193 3HG2 THR 30 3HG2 THR 30 14.241 4.788 8.467 194 H ALA 31 H ALA 31 12.877 1.981 10.048 195 HA ALA 31 HA ALA 31 11.622 -0.489 9.168 196 1HB ALA 31 1HB ALA 31 9.774 0.439 10.715 197 2HB ALA 31 2HB ALA 31 11.309 -0.046 11.474 198 3HB ALA 31 3HB ALA 31 10.965 1.676 11.185 199 H TYR 32 H TYR 32 9.723 -0.558 7.885 200 HA TYR 32 HA TYR 32 8.821 1.985 6.773 201 1HB TYR 32 1HB TYR 32 9.923 -0.505 5.352 202 2HB TYR 32 2HB TYR 32 8.948 0.692 4.492 203 HD1 TYR 32 1HD TYR 32 11.872 -0.221 3.956 204 HD2 TYR 32 2HD TYR 32 10.194 3.105 6.061 205 HE1 TYR 32 1HE TYR 32 13.970 1.138 3.495 206 HE2 TYR 32 2HE TYR 32 12.298 4.453 5.592 207 HH TYR 32 HH TYR 32 14.117 4.345 3.686 208 H ASP 33 H ASP 33 6.988 1.424 8.238 209 HA ASP 33 HA ASP 33 5.576 -0.874 8.138 210 1HB ASP 33 1HB ASP 33 5.265 1.351 9.503 211 2HB ASP 33 2HB ASP 33 4.160 1.809 8.197 212 HD2 ASP 33 HD2 ASP 33 3.053 -1.100 10.683 213 H VAL 34 H VAL 34 4.327 -1.871 6.536 214 HA VAL 34 HA VAL 34 4.150 -0.692 3.974 215 HB VAL 34 HB VAL 34 2.788 -3.118 5.165 216 1HG1 VAL 34 1HG1 VAL 34 2.341 -3.856 2.944 217 2HG1 VAL 34 2HG1 VAL 34 1.769 -2.173 3.045 218 3HG1 VAL 34 3HG1 VAL 34 3.311 -2.542 2.236 219 1HG2 VAL 34 1HG2 VAL 34 5.389 -2.924 5.128 220 2HG2 VAL 34 2HG2 VAL 34 4.615 -4.408 4.526 221 3HG2 VAL 34 3HG2 VAL 34 5.211 -3.187 3.377 222 H GLY 35 H GLY 35 2.197 -0.111 2.791 223 1HA GLY 35 1HA GLY 35 -0.067 0.629 4.537 224 2HA GLY 35 2HA GLY 35 0.656 1.792 3.444 225 H GLN 36 H GLN 36 -1.807 1.662 2.773 226 HA GLN 36 HA GLN 36 -1.875 0.539 0.263 227 1HB GLN 36 1HB GLN 36 -2.919 -1.203 2.450 228 2HB GLN 36 2HB GLN 36 -3.923 -1.089 0.993 229 1HG GLN 36 1HG GLN 36 -1.243 -1.390 0.097 230 2HG GLN 36 2HG GLN 36 -1.442 -2.553 1.415 231 1HE2 GLN 36 1HE2 GLN 36 -3.514 -1.225 -1.166 232 2HE2 GLN 36 2HE2 GLN 36 -4.043 -2.739 -1.822 233 H CYS 37 H CYS 37 -3.057 2.123 -0.711 234 HA CYS 37 HA CYS 37 -5.452 3.020 0.721 235 1HB CYS 37 1HB CYS 37 -3.880 4.760 -1.147 236 2HB CYS 37 2HB CYS 37 -5.117 5.235 0.030 237 H ALA 38 H ALA 38 -7.058 4.072 -0.971 238 HA ALA 38 HA ALA 38 -6.836 2.760 -3.569 239 1HB ALA 38 1HB ALA 38 -9.381 2.630 -1.922 240 2HB ALA 38 2HB ALA 38 -8.975 1.733 -3.405 241 3HB ALA 38 3HB ALA 38 -8.154 1.342 -1.875 242 H TRP 39 H TRP 39 -6.853 4.461 -4.954 243 HA TRP 39 HA TRP 39 -8.082 6.928 -4.220 244 1HB TRP 39 1HB TRP 39 -6.831 7.781 -5.827 245 2HB TRP 39 2HB TRP 39 -6.052 6.198 -5.891 246 HD1 TRP 39 HD TRP 39 -9.248 7.729 -7.580 247 HE1 TRP 39 1HE TRP 39 -9.353 7.042 -10.126 248 HE3 TRP 39 3HE TRP 39 -4.983 4.960 -7.552 249 HZ2 TRP 39 2HZ TRP 39 -7.679 5.454 -11.805 250 HZ3 TRP 39 3HZ TRP 39 -4.289 3.875 -9.686 251 HH2 TRP 39 HH TRP 39 -5.560 4.086 -11.763 252 H VAL 40 H VAL 40 -10.259 7.271 -4.308 253 HA VAL 40 HA VAL 40 -11.797 5.614 -6.169 254 HB VAL 40 HB VAL 40 -12.763 7.271 -3.834 255 1HG1 VAL 40 1HG1 VAL 40 -14.828 6.652 -4.416 256 2HG1 VAL 40 2HG1 VAL 40 -14.148 6.028 -5.936 257 3HG1 VAL 40 3HG1 VAL 40 -14.347 4.943 -4.539 258 1HG2 VAL 40 1HG2 VAL 40 -12.197 5.664 -2.378 259 2HG2 VAL 40 2HG2 VAL 40 -12.784 4.373 -3.454 260 3HG2 VAL 40 3HG2 VAL 40 -11.139 5.020 -3.657 261 H ASP 41 H ASP 41 -10.736 8.891 -5.402 262 HA ASP 41 HA ASP 41 -11.566 9.782 -7.914 263 1HB ASP 41 1HB ASP 41 -13.675 9.809 -6.220 264 2HB ASP 41 2HB ASP 41 -12.955 11.361 -5.765 265 HD2 ASP 41 HD2 ASP 41 -14.200 11.116 -9.541 266 H THR 42 H THR 42 -9.075 9.808 -6.879 267 HA THR 42 HA THR 42 -7.322 11.072 -6.356 268 HB THR 42 HB THR 42 -9.364 13.080 -7.331 269 HG1 THR 42 1HG THR 42 -8.108 12.509 -9.059 270 1HG2 THR 42 1HG2 THR 42 -7.002 13.711 -5.649 271 2HG2 THR 42 2HG2 THR 42 -6.938 14.463 -7.261 272 3HG2 THR 42 3HG2 THR 42 -8.320 14.780 -6.184 273 H GLY 43 H GLY 43 -9.650 13.471 -5.057 274 1HA GLY 43 1HA GLY 43 -8.297 13.502 -2.548 275 2HA GLY 43 2HA GLY 43 -9.760 14.361 -2.984 276 H VAL 44 H VAL 44 -10.398 11.218 -3.884 277 HA VAL 44 HA VAL 44 -11.571 10.635 -1.254 278 HB VAL 44 HB VAL 44 -12.539 9.606 -3.914 279 1HG1 VAL 44 1HG1 VAL 44 -14.381 10.119 -1.645 280 2HG1 VAL 44 2HG1 VAL 44 -14.310 8.754 -2.785 281 3HG1 VAL 44 3HG1 VAL 44 -13.190 8.818 -1.404 282 1HG2 VAL 44 1HG2 VAL 44 -13.549 12.101 -2.510 283 2HG2 VAL 44 2HG2 VAL 44 -12.490 12.106 -3.941 284 3HG2 VAL 44 3HG2 VAL 44 -14.127 11.418 -4.048 285 H LEU 45 H LEU 45 -8.904 9.996 -1.543 286 HA LEU 45 HA LEU 45 -8.843 7.213 -2.407 287 1HB LEU 45 1HB LEU 45 -7.068 8.350 -3.308 288 2HB LEU 45 2HB LEU 45 -6.790 9.319 -1.851 289 HG LEU 45 HG LEU 45 -6.388 6.471 -1.375 290 1HD1 LEU 45 1HD1 LEU 45 -4.366 7.661 -3.259 291 2HD1 LEU 45 2HD1 LEU 45 -4.623 5.961 -2.796 292 3HD1 LEU 45 3HD1 LEU 45 -5.783 6.774 -3.873 293 1HD2 LEU 45 1HD2 LEU 45 -4.063 7.498 -0.735 294 2HD2 LEU 45 2HD2 LEU 45 -4.924 9.046 -0.915 295 3HD2 LEU 45 3HD2 LEU 45 -5.505 7.835 0.253 296 H ALA 46 H ALA 46 -9.542 5.765 -0.926 297 HA ALA 46 HA ALA 46 -9.433 6.392 1.866 298 1HB ALA 46 1HB ALA 46 -10.961 4.719 2.036 299 2HB ALA 46 2HB ALA 46 -11.045 4.853 0.263 300 3HB ALA 46 3HB ALA 46 -10.011 3.615 1.014 301 H CYS 47 H CYS 47 -7.415 6.456 2.780 302 HA CYS 47 HA CYS 47 -5.403 4.621 1.896 303 1HB CYS 47 1HB CYS 47 -5.548 7.055 3.459 304 2HB CYS 47 2HB CYS 47 -4.478 5.856 4.209 305 H ASN 48 H ASN 48 -4.519 2.885 3.173 306 HA ASN 48 HA ASN 48 -6.266 2.129 5.383 307 1HB ASN 48 1HB ASN 48 -6.107 0.687 3.179 308 2HB ASN 48 2HB ASN 48 -4.544 0.163 3.825 309 1HD2 ASN 48 1HD2 ASN 48 -5.063 -1.913 4.230 310 2HD2 ASN 48 2HD2 ASN 48 -6.216 -2.439 5.412 311 HA PRO 49 HA PRO 49 -2.049 2.729 7.010 312 1HB PRO 49 1HB PRO 49 -2.736 4.170 9.226 313 2HB PRO 49 2HB PRO 49 -2.272 4.915 7.698 314 1HG PRO 49 1HG PRO 49 -4.940 4.576 8.912 315 2HG PRO 49 2HG PRO 49 -4.428 5.732 7.628 316 1HD PRO 49 1HD PRO 49 -5.954 3.324 7.350 317 2HD PRO 49 2HD PRO 49 -5.340 4.342 6.041 318 H ALA 50 H ALA 50 -4.535 0.844 7.606 319 HA ALA 50 HA ALA 50 -3.553 -0.063 10.200 320 1HB ALA 50 1HB ALA 50 -5.816 -1.476 8.935 321 2HB ALA 50 2HB ALA 50 -5.677 -0.764 10.561 322 3HB ALA 50 3HB ALA 50 -6.093 0.267 9.171 323 H ASP 51 H ASP 51 -2.784 -0.461 6.980 324 HA ASP 51 HA ASP 51 -2.800 -2.983 6.288 325 1HB ASP 51 1HB ASP 51 -1.482 -1.934 4.775 326 2HB ASP 51 2HB ASP 51 -0.910 -0.758 5.968 327 HD2 ASP 51 HD2 ASP 51 1.535 -3.481 4.756 328 H PHE 52 H PHE 52 -0.975 -1.546 8.996 329 HA PHE 52 HA PHE 52 0.124 -2.427 10.692 330 1HB PHE 52 1HB PHE 52 -1.293 -4.853 9.507 331 2HB PHE 52 2HB PHE 52 -0.181 -5.088 10.860 332 HD1 PHE 52 1HD PHE 52 -0.773 -2.678 12.476 333 HD2 PHE 52 2HD PHE 52 -3.383 -5.306 10.406 334 HE1 PHE 52 1HE PHE 52 -2.621 -2.102 14.074 335 HE2 PHE 52 2HE PHE 52 -5.231 -4.730 12.003 336 HZ PHE 52 HZ PHE 52 -4.827 -3.135 13.819 337 H SER 53 H SER 53 0.400 -4.647 7.828 338 HA SER 53 HA SER 53 2.696 -5.834 8.244 339 1HB SER 53 1HB SER 53 1.358 -4.736 5.851 340 2HB SER 53 2HB SER 53 3.092 -5.031 5.623 341 HG SER 53 HG SER 53 2.411 -7.037 5.236 342 H SER 54 H SER 54 4.998 -5.418 7.851 343 HA SER 54 HA SER 54 5.753 -2.701 7.384 344 1HB SER 54 1HB SER 54 7.243 -2.775 9.506 345 2HB SER 54 2HB SER 54 5.522 -2.406 9.715 346 HG SER 54 HG SER 54 5.537 -4.990 9.917 347 H VAL 55 H VAL 55 7.870 -2.578 6.514 348 HA VAL 55 HA VAL 55 9.313 -5.137 6.423 349 HB VAL 55 HB VAL 55 8.242 -4.746 4.304 350 1HG1 VAL 55 1HG1 VAL 55 7.970 -2.271 4.581 351 2HG1 VAL 55 2HG1 VAL 55 9.688 -2.082 4.159 352 3HG1 VAL 55 3HG1 VAL 55 8.550 -2.763 2.972 353 1HG2 VAL 55 1HG2 VAL 55 11.010 -3.897 3.611 354 2HG2 VAL 55 2HG2 VAL 55 10.846 -5.357 4.615 355 3HG2 VAL 55 3HG2 VAL 55 10.049 -5.276 3.025 356 H THR 56 H THR 56 11.665 -4.947 6.285 357 HA THR 56 HA THR 56 12.580 -2.400 7.447 358 HB THR 56 HB THR 56 13.338 -5.320 7.827 359 HG1 THR 56 1HG THR 56 13.022 -4.513 10.033 360 1HG2 THR 56 1HG2 THR 56 15.236 -4.444 9.266 361 2HG2 THR 56 2HG2 THR 56 15.517 -4.205 7.524 362 3HG2 THR 56 3HG2 THR 56 14.988 -2.839 8.537 363 H ALA 57 H ALA 57 14.575 -1.487 6.756 364 HA ALA 57 HA ALA 57 14.947 -1.773 3.949 365 1HB ALA 57 1HB ALA 57 16.878 -0.126 4.522 366 2HB ALA 57 2HB ALA 57 15.203 0.408 4.800 367 3HB ALA 57 3HB ALA 57 16.200 -0.141 6.168 368 H ASP 58 H ASP 58 17.424 -1.868 3.184 369 HA ASP 58 HA ASP 58 18.702 -4.008 4.677 370 1HB ASP 58 1HB ASP 58 19.380 -4.912 2.342 371 2HB ASP 58 2HB ASP 58 17.728 -5.230 2.894 372 HD2 ASP 58 HD2 ASP 58 16.963 -4.124 -0.292 373 H ALA 59 H ALA 59 20.833 -3.397 5.094 374 HA ALA 59 HA ALA 59 22.527 -1.879 5.129 375 1HB ALA 59 1HB ALA 59 23.901 -2.308 2.939 376 2HB ALA 59 2HB ALA 59 23.567 -3.670 4.035 377 3HB ALA 59 3HB ALA 59 22.601 -3.460 2.556 378 H ASN 60 H ASN 60 22.059 -1.610 1.586 379 HA ASN 60 HA ASN 60 22.589 0.935 1.291 380 1HB ASN 60 1HB ASN 60 20.781 -0.968 -0.084 381 2HB ASN 60 2HB ASN 60 20.368 0.724 -0.397 382 1HD2 ASN 60 1HD2 ASN 60 20.974 0.493 -2.552 383 2HD2 ASN 60 2HD2 ASN 60 22.628 0.458 -3.064 384 H GLY 61 H GLY 61 19.371 -0.433 2.261 385 1HA GLY 61 1HA GLY 61 18.316 0.941 4.075 386 2HA GLY 61 2HA GLY 61 18.482 2.295 2.976 387 H SER 62 H SER 62 18.016 -0.333 0.969 388 HA SER 62 HA SER 62 15.335 0.450 0.485 389 1HB SER 62 1HB SER 62 17.042 -1.763 -0.718 390 2HB SER 62 2HB SER 62 15.460 -1.264 -1.344 391 HG SER 62 HG SER 62 17.487 -0.322 -2.359 392 H ALA 63 H ALA 63 13.418 -0.794 0.802 393 HA ALA 63 HA ALA 63 13.607 -2.691 2.948 394 1HB ALA 63 1HB ALA 63 11.001 -2.404 1.638 395 2HB ALA 63 2HB ALA 63 11.478 -2.045 3.315 396 3HB ALA 63 3HB ALA 63 11.734 -0.831 2.037 397 H SER 64 H SER 64 12.536 -4.862 2.817 398 HA SER 64 HA SER 64 12.184 -5.938 0.211 399 1HB SER 64 1HB SER 64 13.922 -7.713 0.468 400 2HB SER 64 2HB SER 64 14.619 -6.091 0.305 401 HG SER 64 HG SER 64 14.939 -7.909 2.311 402 H THR 65 H THR 65 10.291 -7.037 0.580 403 HA THR 65 HA THR 65 10.140 -9.272 2.199 404 HB THR 65 HB THR 65 10.245 -7.074 3.846 405 HG1 THR 65 1HG THR 65 10.084 -8.972 4.979 406 1HG2 THR 65 1HG2 THR 65 7.954 -6.684 4.693 407 2HG2 THR 65 2HG2 THR 65 8.031 -6.206 2.980 408 3HG2 THR 65 3HG2 THR 65 7.285 -7.755 3.440 409 H SER 66 H SER 66 7.684 -9.865 2.612 410 HA SER 66 HA SER 66 6.458 -9.337 0.058 411 1HB SER 66 1HB SER 66 5.521 -11.231 2.243 412 2HB SER 66 2HB SER 66 5.054 -11.257 0.533 413 HG SER 66 HG SER 66 7.684 -11.435 0.475 414 H LEU 67 H LEU 67 4.595 -8.105 -0.208 415 HA LEU 67 HA LEU 67 3.389 -7.090 2.272 416 1HB LEU 67 1HB LEU 67 4.064 -5.805 -0.332 417 2HB LEU 67 2HB LEU 67 2.688 -5.197 0.604 418 HG LEU 67 HG LEU 67 4.097 -4.591 2.428 419 1HD1 LEU 67 1HD1 LEU 67 6.054 -6.413 1.123 420 2HD1 LEU 67 2HD1 LEU 67 6.700 -4.990 1.978 421 3HD1 LEU 67 3HD1 LEU 67 5.680 -6.163 2.845 422 1HD2 LEU 67 1HD2 LEU 67 5.549 -3.798 -0.109 423 2HD2 LEU 67 2HD2 LEU 67 4.040 -3.058 0.477 424 3HD2 LEU 67 3HD2 LEU 67 5.530 -2.925 1.442 425 H THR 68 H THR 68 1.199 -7.324 2.564 426 HA THR 68 HA THR 68 -0.130 -9.137 0.782 427 HB THR 68 HB THR 68 -0.494 -9.384 3.162 428 HG1 THR 68 1HG THR 68 -2.800 -9.123 3.073 429 1HG2 THR 68 1HG2 THR 68 -0.469 -7.585 4.568 430 2HG2 THR 68 2HG2 THR 68 -0.379 -6.489 3.168 431 3HG2 THR 68 3HG2 THR 68 -1.964 -6.991 3.805 432 H VAL 69 H VAL 69 -0.528 -8.303 -1.225 433 HA VAL 69 HA VAL 69 -1.432 -5.638 -1.565 434 HB VAL 69 HB VAL 69 -1.581 -7.983 -3.467 435 1HG1 VAL 69 1HG1 VAL 69 -2.072 -5.074 -3.700 436 2HG1 VAL 69 2HG1 VAL 69 -1.057 -5.779 -4.981 437 3HG1 VAL 69 3HG1 VAL 69 -2.687 -6.428 -4.679 438 1HG2 VAL 69 1HG2 VAL 69 0.621 -7.286 -4.286 439 2HG2 VAL 69 2HG2 VAL 69 0.700 -6.025 -3.033 440 3HG2 VAL 69 3HG2 VAL 69 0.696 -7.743 -2.567 441 H ARG 70 H ARG 70 -3.099 -6.186 0.337 442 HA ARG 70 HA ARG 70 -5.341 -7.666 -0.345 443 1HB ARG 70 1HB ARG 70 -6.414 -6.490 1.575 444 2HB ARG 70 2HB ARG 70 -4.786 -7.058 1.990 445 1HG ARG 70 1HG ARG 70 -4.458 -4.467 0.889 446 2HG ARG 70 2HG ARG 70 -5.851 -4.344 1.977 447 1HD ARG 70 1HD ARG 70 -4.299 -4.104 3.619 448 2HD ARG 70 2HD ARG 70 -4.060 -5.852 3.474 449 HE ARG 70 HE ARG 70 -2.446 -4.656 1.494 450 1HH1 ARG 70 1HH1 ARG 70 -2.674 -4.620 5.006 451 2HH1 ARG 70 2HH1 ARG 70 -0.985 -4.312 5.239 452 1HH2 ARG 70 1HH2 ARG 70 -0.219 -4.250 1.802 453 2HH2 ARG 70 2HH2 ARG 70 0.420 -4.100 3.404 454 H ARG 71 H ARG 71 -7.439 -7.004 -1.123 455 HA ARG 71 HA ARG 71 -7.354 -4.404 -2.426 456 1HB ARG 71 1HB ARG 71 -9.422 -5.731 -3.661 457 2HB ARG 71 2HB ARG 71 -7.754 -5.736 -4.259 458 1HG ARG 71 1HG ARG 71 -7.322 -7.873 -3.397 459 2HG ARG 71 2HG ARG 71 -8.615 -7.772 -2.190 460 1HD ARG 71 1HD ARG 71 -9.386 -7.660 -5.091 461 2HD ARG 71 2HD ARG 71 -8.869 -9.225 -4.450 462 HE ARG 71 HE ARG 71 -10.774 -7.994 -2.670 463 1HH1 ARG 71 1HH1 ARG 71 -10.572 -9.635 -5.777 464 2HH1 ARG 71 2HH1 ARG 71 -12.198 -10.230 -5.713 465 1HH2 ARG 71 1HH2 ARG 71 -12.918 -8.779 -2.585 466 2HH2 ARG 71 2HH2 ARG 71 -13.542 -9.740 -3.885 467 H SER 72 H SER 72 -9.951 -6.776 -1.468 468 HA SER 72 HA SER 72 -11.762 -4.741 -0.888 469 1HB SER 72 1HB SER 72 -13.168 -6.536 0.018 470 2HB SER 72 2HB SER 72 -12.417 -7.056 -1.503 471 HG SER 72 HG SER 72 -11.294 -7.656 1.092 472 H PHE 73 H PHE 73 -10.590 -3.291 0.567 473 HA PHE 73 HA PHE 73 -10.660 -4.271 3.319 474 1HB PHE 73 1HB PHE 73 -8.436 -3.479 3.693 475 2HB PHE 73 2HB PHE 73 -8.308 -4.179 2.075 476 HD1 PHE 73 1HD PHE 73 -7.278 -2.909 0.453 477 HD2 PHE 73 2HD PHE 73 -9.145 -0.920 3.704 478 HE1 PHE 73 1HE PHE 73 -6.450 -0.706 -0.420 479 HE2 PHE 73 2HE PHE 73 -8.316 1.283 2.831 480 HZ PHE 73 HZ PHE 73 -6.979 1.363 0.780 481 H GLU 74 H GLU 74 -11.024 -2.605 4.918 482 HA GLU 74 HA GLU 74 -12.577 -0.483 3.850 483 1HB GLU 74 1HB GLU 74 -13.023 0.059 6.215 484 2HB GLU 74 2HB GLU 74 -13.257 -1.669 5.904 485 1HG GLU 74 1HG GLU 74 -10.771 -1.905 6.670 486 2HG GLU 74 2HG GLU 74 -10.975 -0.285 7.353 487 HE2 GLU 74 HE2 GLU 74 -12.103 -2.065 10.112 488 H GLY 75 H GLY 75 -11.771 1.453 3.178 489 1HA GLY 75 1HA GLY 75 -9.211 2.344 4.364 490 2HA GLY 75 2HA GLY 75 -9.732 2.669 2.722 491 H PHE 76 H PHE 76 -8.956 4.701 4.626 492 HA PHE 76 HA PHE 76 -11.553 5.989 5.093 493 1HB PHE 76 1HB PHE 76 -8.861 5.894 6.501 494 2HB PHE 76 2HB PHE 76 -9.838 7.355 6.686 495 HD1 PHE 76 1HD PHE 76 -10.774 7.370 8.790 496 HD2 PHE 76 2HD PHE 76 -10.692 3.716 6.634 497 HE1 PHE 76 1HE PHE 76 -12.062 6.253 10.633 498 HE2 PHE 76 2HE PHE 76 -11.979 2.599 8.477 499 HZ PHE 76 HZ PHE 76 -12.649 3.881 10.454 500 H LEU 77 H LEU 77 -11.910 8.028 4.236 501 HA LEU 77 HA LEU 77 -10.704 8.864 2.003 502 1HB LEU 77 1HB LEU 77 -12.183 10.233 4.179 503 2HB LEU 77 2HB LEU 77 -11.382 11.249 2.966 504 HG LEU 77 HG LEU 77 -12.644 10.027 1.198 505 1HD1 LEU 77 1HD1 LEU 77 -14.190 8.801 3.498 506 2HD1 LEU 77 2HD1 LEU 77 -14.496 8.587 1.757 507 3HD1 LEU 77 3HD1 LEU 77 -13.007 7.939 2.485 508 1HD2 LEU 77 1HD2 LEU 77 -14.896 10.964 2.773 509 2HD2 LEU 77 2HD2 LEU 77 -13.502 12.063 2.899 510 3HD2 LEU 77 3HD2 LEU 77 -14.165 11.645 1.301 511 H PHE 78 H PHE 78 -9.868 10.214 5.278 512 HA PHE 78 HA PHE 78 -7.270 9.936 5.379 513 1HB PHE 78 1HB PHE 78 -6.662 10.776 3.264 514 2HB PHE 78 2HB PHE 78 -8.065 11.846 3.176 515 HD1 PHE 78 1HD PHE 78 -7.897 14.114 3.838 516 HD2 PHE 78 2HD PHE 78 -4.689 11.452 4.630 517 HE1 PHE 78 1HE PHE 78 -6.436 16.059 4.457 518 HE2 PHE 78 2HE PHE 78 -3.228 13.396 5.249 519 HZ PHE 78 HZ PHE 78 -4.118 15.676 5.155 520 H ASP 79 H ASP 79 -10.054 12.027 5.650 521 HA ASP 79 HA ASP 79 -8.689 13.702 7.567 522 1HB ASP 79 1HB ASP 79 -10.962 13.959 5.789 523 2HB ASP 79 2HB ASP 79 -11.486 14.304 7.443 524 HD2 ASP 79 HD2 ASP 79 -10.434 17.501 6.786 525 H GLY 80 H GLY 80 -11.253 11.214 7.194 526 1HA GLY 80 1HA GLY 80 -11.046 10.099 9.688 527 2HA GLY 80 2HA GLY 80 -12.220 11.386 9.884 528 H THR 81 H THR 81 -13.102 11.162 6.976 529 HA THR 81 HA THR 81 -15.250 9.425 7.372 530 HB THR 81 HB THR 81 -14.066 10.406 4.726 531 HG1 THR 81 1HG THR 81 -14.343 12.280 5.933 532 1HG2 THR 81 1HG2 THR 81 -16.410 10.511 4.020 533 2HG2 THR 81 2HG2 THR 81 -16.108 8.872 4.643 534 3HG2 THR 81 3HG2 THR 81 -16.964 10.064 5.651 535 H ARG 82 H ARG 82 -15.586 7.294 7.127 536 HA ARG 82 HA ARG 82 -13.362 5.842 5.934 537 1HB ARG 82 1HB ARG 82 -13.880 3.981 7.419 538 2HB ARG 82 2HB ARG 82 -13.757 5.446 8.409 539 1HG ARG 82 1HG ARG 82 -15.774 4.837 9.238 540 2HG ARG 82 2HG ARG 82 -16.448 5.416 7.702 541 1HD ARG 82 1HD ARG 82 -15.885 3.002 6.838 542 2HD ARG 82 2HD ARG 82 -15.792 2.575 8.554 543 HE ARG 82 HE ARG 82 -18.218 4.053 7.830 544 1HH1 ARG 82 1HH1 ARG 82 -16.742 0.866 8.056 545 2HH1 ARG 82 2HH1 ARG 82 -18.256 0.032 8.171 546 1HH2 ARG 82 1HH2 ARG 82 -20.216 2.953 7.981 547 2HH2 ARG 82 2HH2 ARG 82 -20.245 1.228 8.128 548 H TRP 83 H TRP 83 -13.850 4.211 4.376 549 HA TRP 83 HA TRP 83 -16.528 4.407 3.274 550 1HB TRP 83 1HB TRP 83 -13.918 3.281 2.295 551 2HB TRP 83 2HB TRP 83 -15.442 2.956 1.466 552 HD1 TRP 83 HD TRP 83 -12.662 5.308 1.273 553 HE1 TRP 83 1HE TRP 83 -13.215 7.547 -0.009 554 HE3 TRP 83 3HE TRP 83 -17.714 4.741 1.386 555 HZ2 TRP 83 2HZ TRP 83 -15.649 8.801 -0.815 556 HZ3 TRP 83 3HZ TRP 83 -19.105 6.518 0.329 557 HH2 TRP 83 HH TRP 83 -18.151 8.495 -0.745 558 H GLY 84 H GLY 84 -14.240 1.611 3.628 559 1HA GLY 84 1HA GLY 84 -14.716 -0.146 5.211 560 2HA GLY 84 2HA GLY 84 -16.428 0.111 4.935 561 H THR 85 H THR 85 -14.435 -2.253 4.493 562 HA THR 85 HA THR 85 -13.814 -3.655 2.799 563 HB THR 85 HB THR 85 -16.165 -4.172 3.840 564 HG1 THR 85 1HG THR 85 -15.253 -5.905 2.760 565 1HG2 THR 85 1HG2 THR 85 -18.064 -3.746 2.603 566 2HG2 THR 85 2HG2 THR 85 -17.088 -2.457 1.858 567 3HG2 THR 85 3HG2 THR 85 -17.227 -4.042 1.060 568 H VAL 86 H VAL 86 -13.059 -1.295 1.794 569 HA VAL 86 HA VAL 86 -14.423 -0.706 -0.644 570 HB VAL 86 HB VAL 86 -11.820 0.162 0.608 571 1HG1 VAL 86 1HG1 VAL 86 -11.612 1.834 -1.177 572 2HG1 VAL 86 2HG1 VAL 86 -11.534 0.181 -1.831 573 3HG1 VAL 86 3HG1 VAL 86 -13.025 1.137 -2.004 574 1HG2 VAL 86 1HG2 VAL 86 -13.474 1.253 1.781 575 2HG2 VAL 86 2HG2 VAL 86 -13.217 2.404 0.448 576 3HG2 VAL 86 3HG2 VAL 86 -14.594 1.279 0.397 577 H ASP 87 H ASP 87 -14.420 -2.131 -2.310 578 HA ASP 87 HA ASP 87 -12.466 -4.108 -2.537 579 1HB ASP 87 1HB ASP 87 -14.758 -3.083 -4.172 580 2HB ASP 87 2HB ASP 87 -13.559 -4.064 -5.026 581 HD2 ASP 87 HD2 ASP 87 -14.656 -6.496 -2.311 582 H CYS 88 H CYS 88 -10.342 -3.224 -2.786 583 HA CYS 88 HA CYS 88 -9.571 -1.005 -4.064 584 1HB CYS 88 1HB CYS 88 -8.238 -3.684 -3.847 585 2HB CYS 88 2HB CYS 88 -7.428 -2.307 -4.619 586 H THR 89 H THR 89 -10.109 -4.284 -5.528 587 HA THR 89 HA THR 89 -9.370 -3.742 -8.115 588 HB THR 89 HB THR 89 -10.223 -5.917 -6.856 589 HG1 THR 89 1HG THR 89 -11.037 -5.214 -9.588 590 1HG2 THR 89 1HG2 THR 89 -12.627 -4.836 -6.694 591 2HG2 THR 89 2HG2 THR 89 -12.731 -5.217 -8.429 592 3HG2 THR 89 3HG2 THR 89 -12.494 -6.524 -7.244 593 H THR 90 H THR 90 -12.204 -2.595 -6.342 594 HA THR 90 HA THR 90 -13.691 -1.868 -8.653 595 HB THR 90 HB THR 90 -13.816 -0.838 -5.770 596 HG1 THR 90 1HG THR 90 -15.098 -3.034 -7.240 597 1HG2 THR 90 1HG2 THR 90 -16.380 -1.244 -6.956 598 2HG2 THR 90 2HG2 THR 90 -15.642 0.316 -6.518 599 3HG2 THR 90 3HG2 THR 90 -15.427 -0.342 -8.159 600 H ALA 91 H ALA 91 -11.024 -0.408 -6.857 601 HA ALA 91 HA ALA 91 -11.076 1.766 -8.807 602 1HB ALA 91 1HB ALA 91 -11.994 2.145 -6.238 603 2HB ALA 91 2HB ALA 91 -10.272 2.569 -6.077 604 3HB ALA 91 3HB ALA 91 -11.290 3.417 -7.266 605 H ALA 92 H ALA 92 -9.571 -0.696 -8.779 606 HA ALA 92 HA ALA 92 -7.461 -1.503 -8.342 607 1HB ALA 92 1HB ALA 92 -5.966 0.032 -9.967 608 2HB ALA 92 2HB ALA 92 -7.223 -1.064 -10.587 609 3HB ALA 92 3HB ALA 92 -7.572 0.671 -10.396 610 H CYS 93 H CYS 93 -7.645 -0.652 -5.968 611 HA CYS 93 HA CYS 93 -6.511 1.708 -5.176 612 1HB CYS 93 1HB CYS 93 -6.623 0.916 -3.077 613 2HB CYS 93 2HB CYS 93 -7.705 -0.244 -3.871 614 H GLN 94 H GLN 94 -4.302 1.348 -3.581 615 HA GLN 94 HA GLN 94 -2.325 0.047 -5.258 616 1HB GLN 94 1HB GLN 94 -0.836 1.979 -5.173 617 2HB GLN 94 2HB GLN 94 -2.378 2.456 -5.904 618 1HG GLN 94 1HG GLN 94 -2.592 4.064 -4.344 619 2HG GLN 94 2HG GLN 94 -2.621 2.834 -3.073 620 1HE2 GLN 94 1HE2 GLN 94 -0.050 1.785 -3.430 621 2HE2 GLN 94 2HE2 GLN 94 1.129 2.953 -2.933 622 H VAL 95 H VAL 95 -0.173 -0.203 -4.064 623 HA VAL 95 HA VAL 95 -0.564 -0.159 -1.162 624 HB VAL 95 HB VAL 95 -1.092 -2.390 -1.832 625 1HG1 VAL 95 1HG1 VAL 95 1.487 -2.300 -3.429 626 2HG1 VAL 95 2HG1 VAL 95 0.580 -3.792 -3.085 627 3HG1 VAL 95 3HG1 VAL 95 -0.171 -2.496 -4.046 628 1HG2 VAL 95 1HG2 VAL 95 0.173 -3.421 -0.262 629 2HG2 VAL 95 2HG2 VAL 95 1.707 -2.908 -1.003 630 3HG2 VAL 95 3HG2 VAL 95 0.792 -1.777 0.023 631 H GLY 96 H GLY 96 0.939 1.250 -0.422 632 1HA GLY 96 1HA GLY 96 3.628 1.113 -1.652 633 2HA GLY 96 2HA GLY 96 2.858 2.617 -1.189 634 H LEU 97 H LEU 97 5.284 2.211 -0.071 635 HA LEU 97 HA LEU 97 4.835 0.969 2.530 636 1HB LEU 97 1HB LEU 97 7.209 1.698 0.890 637 2HB LEU 97 2HB LEU 97 7.386 1.627 2.651 638 HG LEU 97 HG LEU 97 6.634 -0.596 0.745 639 1HD1 LEU 97 1HD1 LEU 97 9.064 0.087 1.141 640 2HD1 LEU 97 2HD1 LEU 97 8.857 -0.562 2.785 641 3HD1 LEU 97 3HD1 LEU 97 8.646 -1.627 1.375 642 1HD2 LEU 97 1HD2 LEU 97 6.734 -1.906 3.069 643 2HD2 LEU 97 2HD2 LEU 97 6.122 -0.346 3.667 644 3HD2 LEU 97 3HD2 LEU 97 5.225 -1.231 2.410 645 H SER 98 H SER 98 5.360 2.140 4.513 646 HA SER 98 HA SER 98 5.281 5.024 4.135 647 1HB SER 98 1HB SER 98 3.081 4.781 4.764 648 2HB SER 98 2HB SER 98 3.376 3.280 5.656 649 HG SER 98 HG SER 98 2.871 5.017 7.101 650 H ASP 99 H ASP 99 6.974 5.980 5.206 651 HA ASP 99 HA ASP 99 8.276 4.368 7.232 652 1HB ASP 99 1HB ASP 99 9.780 6.708 6.792 653 2HB ASP 99 2HB ASP 99 10.127 5.098 6.143 654 HD2 ASP 99 HD2 ASP 99 9.935 6.581 3.064 655 H ALA 100 H ALA 100 9.484 6.097 8.916 656 HA ALA 100 HA ALA 100 7.261 7.487 10.150 657 1HB ALA 100 1HB ALA 100 8.383 6.271 11.761 658 2HB ALA 100 2HB ALA 100 9.964 6.470 10.968 659 3HB ALA 100 3HB ALA 100 9.256 7.816 11.895 660 H ALA 101 H ALA 101 8.328 8.521 7.605 661 HA ALA 101 HA ALA 101 8.795 11.211 8.503 662 1HB ALA 101 1HB ALA 101 10.952 11.516 7.694 663 2HB ALA 101 2HB ALA 101 11.067 9.858 8.333 664 3HB ALA 101 3HB ALA 101 10.848 10.126 6.587 665 H GLY 102 H GLY 102 8.690 8.817 5.800 666 1HA GLY 102 1HA GLY 102 7.708 10.836 3.956 667 2HA GLY 102 2HA GLY 102 8.053 9.152 3.619 668 H ASN 103 H ASN 103 6.542 7.782 5.544 669 HA ASN 103 HA ASN 103 4.543 6.870 5.566 670 1HB ASN 103 1HB ASN 103 3.105 8.016 7.014 671 2HB ASN 103 2HB ASN 103 4.598 8.930 7.272 672 1HD2 ASN 103 1HD2 ASN 103 4.912 10.894 6.081 673 2HD2 ASN 103 2HD2 ASN 103 3.562 11.866 5.599 674 H GLY 104 H GLY 104 1.890 7.984 5.152 675 1HA GLY 104 1HA GLY 104 0.410 8.577 3.559 676 2HA GLY 104 2HA GLY 104 1.693 9.407 2.703 677 HA PRO 105 HA PRO 105 0.588 5.621 0.371 678 1HB PRO 105 1HB PRO 105 -0.417 6.798 -1.881 679 2HB PRO 105 2HB PRO 105 -1.432 6.222 -0.560 680 1HG PRO 105 1HG PRO 105 -0.626 8.969 -1.274 681 2HG PRO 105 2HG PRO 105 -2.012 8.434 -0.257 682 1HD PRO 105 1HD PRO 105 0.475 9.579 0.582 683 2HD PRO 105 2HD PRO 105 -0.790 8.922 1.628 684 H GLU 106 H GLU 106 1.025 5.429 -2.324 685 HA GLU 106 HA GLU 106 3.613 6.694 -2.632 686 1HB GLU 106 1HB GLU 106 3.832 4.332 -1.668 687 2HB GLU 106 2HB GLU 106 3.221 3.735 -3.220 688 1HG GLU 106 1HG GLU 106 5.578 5.641 -3.050 689 2HG GLU 106 2HG GLU 106 5.802 3.891 -2.897 690 HE2 GLU 106 HE2 GLU 106 5.385 3.414 -6.284 691 H GLY 107 H GLY 107 1.406 4.287 -4.252 692 1HA GLY 107 1HA GLY 107 0.119 5.324 -6.139 693 2HA GLY 107 2HA GLY 107 1.671 5.891 -6.723 694 H VAL 108 H VAL 108 0.957 2.725 -5.136 695 HA VAL 108 HA VAL 108 1.988 1.432 -7.549 696 HB VAL 108 HB VAL 108 1.857 0.734 -4.638 697 1HG1 VAL 108 1HG1 VAL 108 2.878 -1.551 -5.743 698 2HG1 VAL 108 2HG1 VAL 108 1.204 -1.359 -5.169 699 3HG1 VAL 108 3HG1 VAL 108 1.581 -1.149 -6.895 700 1HG2 VAL 108 1HG2 VAL 108 3.968 1.467 -4.892 701 2HG2 VAL 108 2HG2 VAL 108 4.269 -0.112 -5.658 702 3HG2 VAL 108 3HG2 VAL 108 3.911 1.312 -6.665 703 H ALA 109 H ALA 109 -0.147 1.986 -8.607 704 HA ALA 109 HA ALA 109 -2.517 0.810 -7.624 705 1HB ALA 109 1HB ALA 109 -2.681 1.163 -10.437 706 2HB ALA 109 2HB ALA 109 -3.273 2.258 -9.166 707 3HB ALA 109 3HB ALA 109 -1.633 2.464 -9.826 708 H ILE 110 H ILE 110 -2.774 -1.355 -7.366 709 HA ILE 110 HA ILE 110 -1.598 -3.071 -9.437 710 HB ILE 110 HB ILE 110 -2.197 -3.601 -6.527 711 1HG1 ILE 110 1HG1 ILE 110 0.371 -3.389 -8.106 712 2HG1 ILE 110 2HG1 ILE 110 -0.178 -2.326 -6.800 713 1HG2 ILE 110 1HG2 ILE 110 -1.757 -5.840 -6.788 714 2HG2 ILE 110 2HG2 ILE 110 -2.634 -5.491 -8.297 715 3HG2 ILE 110 3HG2 ILE 110 -0.858 -5.605 -8.305 716 1HD1 ILE 110 1HD1 ILE 110 0.372 -5.310 -6.472 717 2HD1 ILE 110 2HD1 ILE 110 1.550 -4.030 -6.092 718 3HD1 ILE 110 3HD1 ILE 110 0.026 -4.138 -5.177 719 H SER 111 H SER 111 -2.884 -4.681 -10.411 720 HA SER 111 HA SER 111 -5.700 -4.087 -10.194 721 1HB SER 111 1HB SER 111 -4.498 -6.069 -12.129 722 2HB SER 111 2HB SER 111 -5.940 -5.059 -12.332 723 HG SER 111 HG SER 111 -3.899 -3.366 -11.979 724 H PHE 112 H PHE 112 -6.801 -5.237 -8.643 725 HA PHE 112 HA PHE 112 -5.838 -7.876 -7.935 726 1HB PHE 112 1HB PHE 112 -8.253 -6.270 -6.938 727 2HB PHE 112 2HB PHE 112 -7.422 -7.561 -6.064 728 HD1 PHE 112 1HD PHE 112 -7.170 -4.065 -7.210 729 HD2 PHE 112 2HD PHE 112 -5.471 -7.098 -4.775 730 HE1 PHE 112 1HE PHE 112 -5.725 -2.350 -6.082 731 HE2 PHE 112 2HE PHE 112 -4.027 -5.382 -3.646 732 HZ PHE 112 HZ PHE 112 -4.171 -3.029 -4.313 733 H ASN 113 H ASN 113 -6.686 -9.739 -8.734 734 HA ASN 113 HA ASN 113 -8.730 -9.616 -10.631 735 1HB ASN 113 1HB ASN 113 -6.815 -11.506 -9.711 736 2HB ASN 113 2HB ASN 113 -8.385 -12.291 -9.486 737 1HD2 ASN 113 1HD2 ASN 113 -8.132 -13.766 -11.095 738 2HD2 ASN 113 2HD2 ASN 113 -8.116 -13.382 -12.783 Start of MODEL 26 1 H ALA 1 H ALA 1 7.956 10.918 -3.953 2 HA ALA 1 HA ALA 1 8.068 12.196 -6.489 3 1HB ALA 1 1HB ALA 1 8.793 13.786 -5.076 4 2HB ALA 1 2HB ALA 1 9.023 12.593 -3.775 5 3HB ALA 1 3HB ALA 1 10.329 12.898 -4.946 6 H ALA 2 H ALA 2 9.495 9.348 -5.109 7 HA ALA 2 HA ALA 2 10.656 8.453 -7.380 8 1HB ALA 2 1HB ALA 2 12.449 9.760 -7.756 9 2HB ALA 2 2HB ALA 2 12.225 10.614 -6.211 10 3HB ALA 2 3HB ALA 2 13.157 9.098 -6.264 11 HA PRO 3 HA PRO 3 12.338 6.271 -3.540 12 1HB PRO 3 1HB PRO 3 12.110 7.435 -1.079 13 2HB PRO 3 2HB PRO 3 13.567 7.545 -2.067 14 1HG PRO 3 1HG PRO 3 11.458 9.546 -1.569 15 2HG PRO 3 2HG PRO 3 13.137 9.809 -2.161 16 1HD PRO 3 1HD PRO 3 10.693 9.876 -3.652 17 2HD PRO 3 2HD PRO 3 12.333 9.982 -4.308 18 H THR 4 H THR 4 11.278 4.487 -2.897 19 HA THR 4 HA THR 4 9.208 4.382 -1.174 20 HB THR 4 HB THR 4 7.654 5.714 -2.293 21 HG1 THR 4 1HG THR 4 6.281 4.171 -3.322 22 1HG2 THR 4 1HG2 THR 4 9.356 5.083 -4.660 23 2HG2 THR 4 2HG2 THR 4 7.614 5.189 -5.014 24 3HG2 THR 4 3HG2 THR 4 8.459 6.573 -4.280 25 H ALA 5 H ALA 5 7.751 2.351 -1.559 26 HA ALA 5 HA ALA 5 9.549 0.339 -2.706 27 1HB ALA 5 1HB ALA 5 8.964 0.277 -0.243 28 2HB ALA 5 2HB ALA 5 7.277 -0.033 -0.719 29 3HB ALA 5 3HB ALA 5 8.550 -1.202 -1.143 30 H THR 6 H THR 6 8.394 -1.608 -3.693 31 HA THR 6 HA THR 6 5.767 -1.025 -4.768 32 HB THR 6 HB THR 6 6.475 -1.005 -7.075 33 HG1 THR 6 1HG THR 6 8.147 -2.476 -7.251 34 1HG2 THR 6 1HG2 THR 6 8.250 0.749 -7.212 35 2HG2 THR 6 2HG2 THR 6 7.043 1.172 -5.974 36 3HG2 THR 6 3HG2 THR 6 8.620 0.505 -5.488 37 H VAL 7 H VAL 7 4.759 -2.887 -5.776 38 HA VAL 7 HA VAL 7 5.859 -5.332 -4.620 39 HB VAL 7 HB VAL 7 3.155 -5.044 -5.889 40 1HG1 VAL 7 1HG1 VAL 7 2.716 -7.022 -4.923 41 2HG1 VAL 7 2HG1 VAL 7 4.475 -7.151 -4.682 42 3HG1 VAL 7 3HG1 VAL 7 3.442 -6.527 -3.374 43 1HG2 VAL 7 1HG2 VAL 7 4.000 -4.017 -3.169 44 2HG2 VAL 7 2HG2 VAL 7 3.157 -3.141 -4.469 45 3HG2 VAL 7 3HG2 VAL 7 2.314 -4.423 -3.569 46 H THR 8 H THR 8 6.521 -7.071 -5.854 47 HA THR 8 HA THR 8 7.581 -6.791 -8.289 48 HB THR 8 HB THR 8 6.532 -9.016 -6.627 49 HG1 THR 8 1HG THR 8 8.731 -9.304 -6.779 50 1HG2 THR 8 1HG2 THR 8 7.165 -9.509 -9.580 51 2HG2 THR 8 2HG2 THR 8 6.725 -10.726 -8.358 52 3HG2 THR 8 3HG2 THR 8 5.512 -9.552 -8.919 53 HA PRO 9 HA PRO 9 3.581 -7.754 -10.538 54 1HB PRO 9 1HB PRO 9 1.245 -8.121 -9.169 55 2HB PRO 9 2HB PRO 9 2.281 -9.451 -9.683 56 1HG PRO 9 1HG PRO 9 1.930 -8.245 -7.014 57 2HG PRO 9 2HG PRO 9 2.593 -9.864 -7.436 58 1HD PRO 9 1HD PRO 9 4.013 -7.521 -6.604 59 2HD PRO 9 2HD PRO 9 4.722 -9.043 -7.161 60 H SER 10 H SER 10 1.359 -6.659 -11.128 61 HA SER 10 HA SER 10 1.092 -4.181 -9.742 62 1HB SER 10 1HB SER 10 1.662 -2.706 -11.512 63 2HB SER 10 2HB SER 10 3.006 -3.859 -11.427 64 HG SER 10 HG SER 10 0.891 -3.654 -13.364 65 H SER 11 H SER 11 -0.328 -6.778 -10.746 66 HA SER 11 HA SER 11 -2.824 -5.834 -10.933 67 1HB SER 11 1HB SER 11 -3.291 -6.159 -13.451 68 2HB SER 11 2HB SER 11 -2.505 -4.647 -12.963 69 HG SER 11 HG SER 11 -0.447 -5.649 -13.555 70 H GLY 12 H GLY 12 -4.412 -7.573 -11.699 71 1HA GLY 12 1HA GLY 12 -5.068 -9.718 -11.880 72 2HA GLY 12 2HA GLY 12 -3.489 -10.112 -12.531 73 H LEU 13 H LEU 13 -4.170 -8.620 -9.318 74 HA LEU 13 HA LEU 13 -2.728 -10.831 -8.101 75 1HB LEU 13 1HB LEU 13 -3.724 -8.313 -6.797 76 2HB LEU 13 2HB LEU 13 -2.476 -9.427 -6.213 77 HG LEU 13 HG LEU 13 -2.335 -7.304 -8.323 78 1HD1 LEU 13 1HD1 LEU 13 -0.471 -8.153 -6.089 79 2HD1 LEU 13 2HD1 LEU 13 -0.223 -6.776 -7.190 80 3HD1 LEU 13 3HD1 LEU 13 -1.600 -6.778 -6.062 81 1HD2 LEU 13 1HD2 LEU 13 -0.126 -9.311 -8.231 82 2HD2 LEU 13 2HD2 LEU 13 -1.596 -9.709 -9.155 83 3HD2 LEU 13 3HD2 LEU 13 -0.661 -8.247 -9.554 84 H SER 14 H SER 14 -4.183 -10.174 -5.485 85 HA SER 14 HA SER 14 -6.849 -11.009 -5.999 86 1HB SER 14 1HB SER 14 -5.193 -13.096 -6.018 87 2HB SER 14 2HB SER 14 -5.321 -12.935 -4.258 88 HG SER 14 HG SER 14 -7.232 -13.875 -4.378 89 H ASP 15 H ASP 15 -8.065 -11.280 -3.824 90 HA ASP 15 HA ASP 15 -7.574 -9.090 -2.263 91 1HB ASP 15 1HB ASP 15 -9.708 -10.466 -2.466 92 2HB ASP 15 2HB ASP 15 -8.981 -11.645 -1.362 93 HD2 ASP 15 HD2 ASP 15 -11.063 -9.106 0.369 94 H GLY 16 H GLY 16 -5.449 -8.981 -1.357 95 1HA GLY 16 1HA GLY 16 -4.150 -9.304 0.536 96 2HA GLY 16 2HA GLY 16 -4.921 -10.850 0.828 97 H THR 17 H THR 17 -3.539 -9.676 -2.294 98 HA THR 17 HA THR 17 -2.113 -12.100 -2.662 99 HB THR 17 HB THR 17 -2.513 -9.465 -4.071 100 HG1 THR 17 1HG THR 17 -3.670 -11.701 -4.176 101 1HG2 THR 17 1HG2 THR 17 -0.134 -11.299 -4.404 102 2HG2 THR 17 2HG2 THR 17 -0.939 -10.702 -5.875 103 3HG2 THR 17 3HG2 THR 17 -0.254 -9.549 -4.705 104 H VAL 18 H VAL 18 -0.842 -12.366 -0.752 105 HA VAL 18 HA VAL 18 1.092 -10.388 -0.078 106 HB VAL 18 HB VAL 18 1.058 -13.290 0.736 107 1HG1 VAL 18 1HG1 VAL 18 2.400 -10.813 1.664 108 2HG1 VAL 18 2HG1 VAL 18 1.744 -11.866 2.941 109 3HG1 VAL 18 3HG1 VAL 18 2.918 -12.513 1.771 110 1HG2 VAL 18 1HG2 VAL 18 -0.293 -12.213 2.751 111 2HG2 VAL 18 2HG2 VAL 18 -0.808 -11.073 1.485 112 3HG2 VAL 18 3HG2 VAL 18 -1.118 -12.814 1.294 113 H VAL 19 H VAL 19 2.399 -9.918 -1.866 114 HA VAL 19 HA VAL 19 3.978 -12.200 -2.838 115 HB VAL 19 HB VAL 19 4.320 -10.525 -4.816 116 1HG1 VAL 19 1HG1 VAL 19 3.316 -12.670 -5.153 117 2HG1 VAL 19 2HG1 VAL 19 1.815 -12.166 -4.339 118 3HG1 VAL 19 3HG1 VAL 19 2.252 -11.465 -5.917 119 1HG2 VAL 19 1HG2 VAL 19 1.572 -9.630 -3.914 120 2HG2 VAL 19 2HG2 VAL 19 3.050 -8.701 -3.570 121 3HG2 VAL 19 3HG2 VAL 19 2.557 -8.998 -5.255 122 H LYS 20 H LYS 20 6.161 -11.154 -3.884 123 HA LYS 20 HA LYS 20 7.497 -10.058 -1.608 124 1HB LYS 20 1HB LYS 20 8.201 -11.284 -4.183 125 2HB LYS 20 2HB LYS 20 9.320 -10.015 -3.657 126 1HG LYS 20 1HG LYS 20 9.296 -11.205 -1.362 127 2HG LYS 20 2HG LYS 20 8.528 -12.566 -2.197 128 1HD LYS 20 1HD LYS 20 10.430 -12.987 -3.511 129 2HD LYS 20 2HD LYS 20 11.078 -11.352 -3.296 130 1HE LYS 20 1HE LYS 20 11.932 -11.833 -1.179 131 2HE LYS 20 2HE LYS 20 10.760 -13.122 -0.870 132 1HZ LYS 20 1HZ LYS 20 11.921 -14.447 -2.506 133 2HZ LYS 20 2HZ LYS 20 13.002 -13.250 -2.765 134 3HZ LYS 20 3HZ LYS 20 12.938 -13.992 -1.312 135 H VAL 21 H VAL 21 8.405 -7.992 -1.359 136 HA VAL 21 HA VAL 21 7.866 -6.070 -3.481 137 HB VAL 21 HB VAL 21 6.953 -5.727 -0.617 138 1HG1 VAL 21 1HG1 VAL 21 6.493 -3.544 -1.041 139 2HG1 VAL 21 2HG1 VAL 21 7.803 -3.737 -2.231 140 3HG1 VAL 21 3HG1 VAL 21 6.105 -3.842 -2.753 141 1HG2 VAL 21 1HG2 VAL 21 5.552 -6.573 -3.114 142 2HG2 VAL 21 2HG2 VAL 21 5.267 -7.045 -1.422 143 3HG2 VAL 21 3HG2 VAL 21 4.691 -5.469 -2.016 144 H ALA 22 H ALA 22 9.364 -4.358 -3.536 145 HA ALA 22 HA ALA 22 11.324 -4.272 -1.381 146 1HB ALA 22 1HB ALA 22 12.627 -5.636 -2.685 147 2HB ALA 22 2HB ALA 22 11.785 -5.187 -4.188 148 3HB ALA 22 3HB ALA 22 13.001 -4.091 -3.487 149 H GLY 23 H GLY 23 12.742 -2.275 -1.613 150 1HA GLY 23 1HA GLY 23 13.087 -0.143 -2.544 151 2HA GLY 23 2HA GLY 23 11.475 -0.171 -3.230 152 H ALA 24 H ALA 24 11.999 2.104 -1.937 153 HA ALA 24 HA ALA 24 10.083 2.618 -0.228 154 1HB ALA 24 1HB ALA 24 10.464 0.967 1.375 155 2HB ALA 24 2HB ALA 24 12.234 1.085 1.227 156 3HB ALA 24 3HB ALA 24 11.325 2.356 2.081 157 H GLY 25 H GLY 25 11.542 4.000 1.948 158 1HA GLY 25 1HA GLY 25 12.247 6.350 0.554 159 2HA GLY 25 2HA GLY 25 12.470 6.026 2.261 160 H LEU 26 H LEU 26 13.929 3.444 0.706 161 HA LEU 26 HA LEU 26 16.064 2.843 0.597 162 1HB LEU 26 1HB LEU 26 15.827 3.667 -1.586 163 2HB LEU 26 2HB LEU 26 16.015 5.352 -1.067 164 HG LEU 26 HG LEU 26 18.394 4.207 -0.278 165 1HD1 LEU 26 1HD1 LEU 26 18.250 2.135 -1.295 166 2HD1 LEU 26 2HD1 LEU 26 17.375 2.768 -2.711 167 3HD1 LEU 26 3HD1 LEU 26 19.115 3.097 -2.520 168 1HD2 LEU 26 1HD2 LEU 26 19.214 5.275 -2.526 169 2HD2 LEU 26 2HD2 LEU 26 17.529 5.835 -2.643 170 3HD2 LEU 26 3HD2 LEU 26 18.524 6.293 -1.239 171 H GLN 27 H GLN 27 15.899 3.431 3.068 172 HA GLN 27 HA GLN 27 17.648 5.654 3.666 173 1HB GLN 27 1HB GLN 27 15.639 5.566 4.987 174 2HB GLN 27 2HB GLN 27 15.904 3.864 5.407 175 1HG GLN 27 1HG GLN 27 17.418 4.382 7.042 176 2HG GLN 27 2HG GLN 27 18.142 5.701 6.111 177 1HE2 GLN 27 1HE2 GLN 27 18.138 6.795 8.173 178 2HE2 GLN 27 2HE2 GLN 27 16.727 7.644 8.711 179 H ALA 28 H ALA 28 17.489 2.859 5.826 180 HA ALA 28 HA ALA 28 19.659 1.412 4.845 181 1HB ALA 28 1HB ALA 28 20.466 3.885 5.892 182 2HB ALA 28 2HB ALA 28 20.775 2.724 7.206 183 3HB ALA 28 3HB ALA 28 21.500 2.467 5.601 184 H GLY 29 H GLY 29 18.261 -0.292 5.456 185 1HA GLY 29 1HA GLY 29 17.365 -1.823 6.836 186 2HA GLY 29 2HA GLY 29 18.618 -1.382 7.979 187 H THR 30 H THR 30 16.581 1.270 6.992 188 HA THR 30 HA THR 30 15.581 1.566 9.644 189 HB THR 30 HB THR 30 15.308 3.005 6.976 190 HG1 THR 30 1HG THR 30 17.161 3.102 8.608 191 1HG2 THR 30 1HG2 THR 30 13.988 3.776 9.633 192 2HG2 THR 30 2HG2 THR 30 14.037 4.776 8.162 193 3HG2 THR 30 3HG2 THR 30 13.104 3.261 8.177 194 H ALA 31 H ALA 31 13.152 2.059 9.984 195 HA ALA 31 HA ALA 31 11.772 -0.340 9.127 196 1HB ALA 31 1HB ALA 31 10.743 -0.147 11.124 197 2HB ALA 31 2HB ALA 31 11.891 1.164 11.480 198 3HB ALA 31 3HB ALA 31 10.288 1.544 10.807 199 H TYR 32 H TYR 32 9.852 -0.372 7.900 200 HA TYR 32 HA TYR 32 8.905 2.195 6.888 201 1HB TYR 32 1HB TYR 32 9.995 -0.245 5.381 202 2HB TYR 32 2HB TYR 32 8.927 0.911 4.577 203 HD1 TYR 32 1HD TYR 32 11.805 0.162 3.801 204 HD2 TYR 32 2HD TYR 32 10.199 3.335 6.180 205 HE1 TYR 32 1HE TYR 32 13.818 1.611 3.241 206 HE2 TYR 32 2HE TYR 32 12.216 4.773 5.610 207 HH TYR 32 HH TYR 32 13.873 4.847 3.631 208 H ASP 33 H ASP 33 7.141 1.579 8.425 209 HA ASP 33 HA ASP 33 5.728 -0.720 8.300 210 1HB ASP 33 1HB ASP 33 5.398 1.926 9.348 211 2HB ASP 33 2HB ASP 33 3.873 1.490 8.563 212 HD2 ASP 33 HD2 ASP 33 4.978 -0.489 11.834 213 H VAL 34 H VAL 34 4.247 -1.608 6.812 214 HA VAL 34 HA VAL 34 4.078 -0.551 4.239 215 HB VAL 34 HB VAL 34 2.527 -2.650 5.747 216 1HG1 VAL 34 1HG1 VAL 34 2.121 -1.606 2.960 217 2HG1 VAL 34 2HG1 VAL 34 1.889 -3.340 3.289 218 3HG1 VAL 34 3HG1 VAL 34 0.922 -2.130 4.167 219 1HG2 VAL 34 1HG2 VAL 34 4.769 -2.696 3.714 220 2HG2 VAL 34 2HG2 VAL 34 4.758 -3.346 5.371 221 3HG2 VAL 34 3HG2 VAL 34 3.793 -4.134 4.100 222 H GLY 35 H GLY 35 2.185 0.281 3.079 223 1HA GLY 35 1HA GLY 35 0.460 1.882 4.869 224 2HA GLY 35 2HA GLY 35 1.006 2.377 3.278 225 H GLN 36 H GLN 36 0.229 1.142 1.353 226 HA GLN 36 HA GLN 36 -1.267 0.090 0.169 227 1HB GLN 36 1HB GLN 36 -1.186 -1.884 1.472 228 2HB GLN 36 2HB GLN 36 -2.021 -1.132 2.843 229 1HG GLN 36 1HG GLN 36 -3.863 -2.163 1.999 230 2HG GLN 36 2HG GLN 36 -3.887 -0.836 0.829 231 1HE2 GLN 36 1HE2 GLN 36 -3.939 -1.369 -1.210 232 2HE2 GLN 36 2HE2 GLN 36 -3.416 -2.859 -1.922 233 H CYS 37 H CYS 37 -2.401 1.841 -0.655 234 HA CYS 37 HA CYS 37 -4.713 2.679 0.939 235 1HB CYS 37 1HB CYS 37 -3.139 4.388 -0.979 236 2HB CYS 37 2HB CYS 37 -4.518 4.899 0.009 237 H ALA 38 H ALA 38 -6.208 4.011 -0.910 238 HA ALA 38 HA ALA 38 -6.201 2.738 -3.459 239 1HB ALA 38 1HB ALA 38 -8.016 1.293 -3.254 240 2HB ALA 38 2HB ALA 38 -7.200 1.055 -1.691 241 3HB ALA 38 3HB ALA 38 -8.634 2.104 -1.796 242 H TRP 39 H TRP 39 -7.286 4.032 -4.924 243 HA TRP 39 HA TRP 39 -7.976 6.610 -4.155 244 1HB TRP 39 1HB TRP 39 -7.662 5.158 -6.531 245 2HB TRP 39 2HB TRP 39 -9.301 5.807 -6.589 246 HD1 TRP 39 HD TRP 39 -9.371 8.648 -6.114 247 HE1 TRP 39 1HE TRP 39 -7.781 10.559 -7.000 248 HE3 TRP 39 3HE TRP 39 -5.448 5.602 -7.201 249 HZ2 TRP 39 2HZ TRP 39 -5.121 10.581 -8.032 250 HZ3 TRP 39 3HZ TRP 39 -3.392 6.648 -8.145 251 HH2 TRP 39 HH TRP 39 -3.190 9.048 -8.563 252 H VAL 40 H VAL 40 -10.295 7.549 -4.686 253 HA VAL 40 HA VAL 40 -12.369 5.669 -3.865 254 HB VAL 40 HB VAL 40 -11.691 8.273 -2.489 255 1HG1 VAL 40 1HG1 VAL 40 -13.784 7.100 -1.086 256 2HG1 VAL 40 2HG1 VAL 40 -13.892 8.520 -2.153 257 3HG1 VAL 40 3HG1 VAL 40 -14.255 6.898 -2.792 258 1HG2 VAL 40 1HG2 VAL 40 -11.813 6.627 -0.467 259 2HG2 VAL 40 2HG2 VAL 40 -11.574 5.368 -1.702 260 3HG2 VAL 40 3HG2 VAL 40 -10.357 6.651 -1.491 261 H ASP 41 H ASP 41 -12.976 9.107 -3.703 262 HA ASP 41 HA ASP 41 -14.658 8.842 -5.997 263 1HB ASP 41 1HB ASP 41 -14.584 10.422 -3.628 264 2HB ASP 41 2HB ASP 41 -14.453 11.560 -4.977 265 HD2 ASP 41 HD2 ASP 41 -17.683 9.931 -5.983 266 H THR 42 H THR 42 -14.610 11.409 -7.143 267 HA THR 42 HA THR 42 -12.187 11.314 -8.655 268 HB THR 42 HB THR 42 -14.585 13.219 -8.593 269 HG1 THR 42 1HG THR 42 -15.380 11.558 -9.821 270 1HG2 THR 42 1HG2 THR 42 -13.828 14.158 -10.620 271 2HG2 THR 42 2HG2 THR 42 -12.290 13.977 -9.742 272 3HG2 THR 42 3HG2 THR 42 -12.761 12.777 -10.970 273 H GLY 43 H GLY 43 -10.444 11.654 -7.251 274 1HA GLY 43 1HA GLY 43 -8.869 13.370 -6.811 275 2HA GLY 43 2HA GLY 43 -10.176 14.472 -6.428 276 H VAL 44 H VAL 44 -11.214 11.615 -5.101 277 HA VAL 44 HA VAL 44 -9.981 12.289 -2.525 278 HB VAL 44 HB VAL 44 -12.557 10.800 -3.028 279 1HG1 VAL 44 1HG1 VAL 44 -12.191 10.345 -0.841 280 2HG1 VAL 44 2HG1 VAL 44 -11.055 11.702 -0.637 281 3HG1 VAL 44 3HG1 VAL 44 -12.811 11.997 -0.604 282 1HG2 VAL 44 1HG2 VAL 44 -13.605 12.701 -3.527 283 2HG2 VAL 44 2HG2 VAL 44 -13.010 13.449 -2.026 284 3HG2 VAL 44 3HG2 VAL 44 -12.042 13.555 -3.516 285 H LEU 45 H LEU 45 -8.711 10.799 -1.511 286 HA LEU 45 HA LEU 45 -8.794 8.073 -2.599 287 1HB LEU 45 1HB LEU 45 -6.864 9.452 -3.394 288 2HB LEU 45 2HB LEU 45 -6.298 9.517 -1.715 289 HG LEU 45 HG LEU 45 -6.807 6.785 -2.478 290 1HD1 LEU 45 1HD1 LEU 45 -6.167 8.179 -4.730 291 2HD1 LEU 45 2HD1 LEU 45 -4.556 7.700 -4.146 292 3HD1 LEU 45 3HD1 LEU 45 -5.796 6.461 -4.455 293 1HD2 LEU 45 1HD2 LEU 45 -5.293 6.815 -0.824 294 2HD2 LEU 45 2HD2 LEU 45 -4.109 6.991 -2.142 295 3HD2 LEU 45 3HD2 LEU 45 -4.685 8.429 -1.266 296 H ALA 46 H ALA 46 -8.396 6.373 -1.076 297 HA ALA 46 HA ALA 46 -8.506 7.276 1.719 298 1HB ALA 46 1HB ALA 46 -9.965 5.195 2.053 299 2HB ALA 46 2HB ALA 46 -10.720 6.560 1.195 300 3HB ALA 46 3HB ALA 46 -10.130 5.151 0.281 301 H CYS 47 H CYS 47 -6.913 6.437 2.983 302 HA CYS 47 HA CYS 47 -5.187 4.473 1.749 303 1HB CYS 47 1HB CYS 47 -4.960 6.468 3.911 304 2HB CYS 47 2HB CYS 47 -4.008 4.987 4.116 305 H ASN 48 H ASN 48 -4.310 2.723 3.417 306 HA ASN 48 HA ASN 48 -6.654 1.706 4.822 307 1HB ASN 48 1HB ASN 48 -5.600 0.447 2.756 308 2HB ASN 48 2HB ASN 48 -4.337 -0.036 3.897 309 1HD2 ASN 48 1HD2 ASN 48 -4.641 -1.935 4.747 310 2HD2 ASN 48 2HD2 ASN 48 -6.150 -2.689 5.138 311 HA PRO 49 HA PRO 49 -3.344 2.438 7.874 312 1HB PRO 49 1HB PRO 49 -4.878 3.683 9.761 313 2HB PRO 49 2HB PRO 49 -3.963 4.555 8.532 314 1HG PRO 49 1HG PRO 49 -6.854 3.984 8.695 315 2HG PRO 49 2HG PRO 49 -6.012 5.252 7.732 316 1HD PRO 49 1HD PRO 49 -7.150 2.787 6.822 317 2HD PRO 49 2HD PRO 49 -6.193 3.924 5.864 318 H ALA 50 H ALA 50 -4.802 0.038 7.315 319 HA ALA 50 HA ALA 50 -4.958 -0.906 10.092 320 1HB ALA 50 1HB ALA 50 -6.758 -2.508 9.083 321 2HB ALA 50 2HB ALA 50 -7.225 -0.838 9.483 322 3HB ALA 50 3HB ALA 50 -6.886 -1.288 7.794 323 H ASP 51 H ASP 51 -3.277 -0.920 7.232 324 HA ASP 51 HA ASP 51 -2.971 -3.524 6.539 325 1HB ASP 51 1HB ASP 51 -0.554 -2.783 5.960 326 2HB ASP 51 2HB ASP 51 -1.886 -1.910 5.184 327 HD2 ASP 51 HD2 ASP 51 0.533 0.009 7.651 328 H PHE 52 H PHE 52 -0.880 -1.564 8.807 329 HA PHE 52 HA PHE 52 0.108 -2.134 10.715 330 1HB PHE 52 1HB PHE 52 -1.931 -4.002 10.508 331 2HB PHE 52 2HB PHE 52 -0.523 -5.070 10.465 332 HD1 PHE 52 1HD PHE 52 -0.136 -6.045 12.507 333 HD2 PHE 52 2HD PHE 52 -1.452 -2.012 12.411 334 HE1 PHE 52 1HE PHE 52 -0.002 -5.941 15.011 335 HE2 PHE 52 2HE PHE 52 -1.319 -1.908 14.915 336 HZ PHE 52 HZ PHE 52 -0.595 -3.874 16.186 337 H SER 53 H SER 53 0.443 -4.015 7.760 338 HA SER 53 HA SER 53 2.621 -5.537 8.343 339 1HB SER 53 1HB SER 53 1.479 -4.286 5.887 340 2HB SER 53 2HB SER 53 3.145 -4.875 5.757 341 HG SER 53 HG SER 53 1.425 -6.452 5.198 342 H SER 54 H SER 54 4.962 -5.198 7.705 343 HA SER 54 HA SER 54 5.791 -2.478 7.457 344 1HB SER 54 1HB SER 54 5.488 -2.736 9.915 345 2HB SER 54 2HB SER 54 6.632 -4.091 9.907 346 HG SER 54 HG SER 54 8.027 -2.265 8.744 347 H VAL 55 H VAL 55 7.936 -2.332 6.591 348 HA VAL 55 HA VAL 55 9.281 -4.909 6.199 349 HB VAL 55 HB VAL 55 8.035 -4.369 4.186 350 1HG1 VAL 55 1HG1 VAL 55 7.837 -1.949 4.452 351 2HG1 VAL 55 2HG1 VAL 55 9.587 -1.757 4.185 352 3HG1 VAL 55 3HG1 VAL 55 8.545 -2.344 2.868 353 1HG2 VAL 55 1HG2 VAL 55 9.699 -5.140 2.900 354 2HG2 VAL 55 2HG2 VAL 55 10.674 -3.670 3.137 355 3HG2 VAL 55 3HG2 VAL 55 10.737 -4.983 4.338 356 H THR 56 H THR 56 11.598 -4.779 6.053 357 HA THR 56 HA THR 56 12.626 -2.268 7.190 358 HB THR 56 HB THR 56 13.338 -5.211 7.451 359 HG1 THR 56 1HG THR 56 13.125 -4.492 9.672 360 1HG2 THR 56 1HG2 THR 56 15.540 -4.266 7.086 361 2HG2 THR 56 2HG2 THR 56 15.118 -2.783 7.974 362 3HG2 THR 56 3HG2 THR 56 15.321 -4.318 8.851 363 H ALA 57 H ALA 57 14.555 -1.331 6.397 364 HA ALA 57 HA ALA 57 14.799 -1.616 3.566 365 1HB ALA 57 1HB ALA 57 16.174 0.060 5.692 366 2HB ALA 57 2HB ALA 57 16.625 0.135 3.971 367 3HB ALA 57 3HB ALA 57 14.979 0.580 4.480 368 H ASP 58 H ASP 58 17.236 -1.642 2.694 369 HA ASP 58 HA ASP 58 18.656 -3.709 4.163 370 1HB ASP 58 1HB ASP 58 19.266 -4.615 1.802 371 2HB ASP 58 2HB ASP 58 17.665 -5.004 2.450 372 HD2 ASP 58 HD2 ASP 58 16.629 -3.977 -0.676 373 H ALA 59 H ALA 59 20.777 -3.010 4.479 374 HA ALA 59 HA ALA 59 22.411 -1.430 4.414 375 1HB ALA 59 1HB ALA 59 22.429 -3.211 2.015 376 2HB ALA 59 2HB ALA 59 23.586 -1.859 2.022 377 3HB ALA 59 3HB ALA 59 23.612 -3.059 3.335 378 H ASN 60 H ASN 60 21.837 -1.247 0.886 379 HA ASN 60 HA ASN 60 22.247 1.298 0.509 380 1HB ASN 60 1HB ASN 60 20.401 -0.678 -0.726 381 2HB ASN 60 2HB ASN 60 19.984 1.004 -1.084 382 1HD2 ASN 60 1HD2 ASN 60 20.507 0.220 -3.272 383 2HD2 ASN 60 2HD2 ASN 60 22.142 0.319 -3.835 384 H GLY 61 H GLY 61 19.111 -0.139 1.643 385 1HA GLY 61 1HA GLY 61 18.094 1.234 3.476 386 2HA GLY 61 2HA GLY 61 18.184 2.578 2.355 387 H SER 62 H SER 62 17.700 -0.144 0.446 388 HA SER 62 HA SER 62 14.992 0.592 0.022 389 1HB SER 62 1HB SER 62 15.213 -0.490 -1.969 390 2HB SER 62 2HB SER 62 16.945 -0.397 -1.597 391 HG SER 62 HG SER 62 15.751 -2.577 -2.183 392 H ALA 63 H ALA 63 13.114 -0.573 0.576 393 HA ALA 63 HA ALA 63 13.415 -2.434 2.723 394 1HB ALA 63 1HB ALA 63 11.268 -1.857 3.158 395 2HB ALA 63 2HB ALA 63 11.515 -0.594 1.926 396 3HB ALA 63 3HB ALA 63 10.757 -2.141 1.477 397 H SER 64 H SER 64 12.396 -4.619 2.719 398 HA SER 64 HA SER 64 11.904 -5.777 0.166 399 1HB SER 64 1HB SER 64 13.667 -7.567 0.475 400 2HB SER 64 2HB SER 64 14.305 -5.961 0.075 401 HG SER 64 HG SER 64 14.293 -7.327 2.617 402 H THR 65 H THR 65 10.072 -6.936 0.631 403 HA THR 65 HA THR 65 10.042 -9.075 2.395 404 HB THR 65 HB THR 65 10.082 -6.796 3.899 405 HG1 THR 65 1HG THR 65 10.002 -8.740 5.007 406 1HG2 THR 65 1HG2 THR 65 7.132 -7.498 3.453 407 2HG2 THR 65 2HG2 THR 65 7.758 -6.406 4.710 408 3HG2 THR 65 3HG2 THR 65 7.895 -5.958 2.992 409 H SER 66 H SER 66 7.610 -9.733 2.880 410 HA SER 66 HA SER 66 6.354 -9.461 0.301 411 1HB SER 66 1HB SER 66 5.836 -11.278 2.683 412 2HB SER 66 2HB SER 66 4.840 -11.299 1.215 413 HG SER 66 HG SER 66 7.614 -12.008 1.543 414 H LEU 67 H LEU 67 4.526 -8.223 -0.053 415 HA LEU 67 HA LEU 67 3.249 -7.111 2.346 416 1HB LEU 67 1HB LEU 67 4.225 -5.942 -0.130 417 2HB LEU 67 2HB LEU 67 2.546 -5.497 0.222 418 HG LEU 67 HG LEU 67 3.164 -4.489 2.289 419 1HD1 LEU 67 1HD1 LEU 67 4.694 -5.893 3.317 420 2HD1 LEU 67 2HD1 LEU 67 5.779 -5.922 1.906 421 3HD1 LEU 67 3HD1 LEU 67 5.680 -4.464 2.922 422 1HD2 LEU 67 1HD2 LEU 67 5.240 -3.030 1.379 423 2HD2 LEU 67 2HD2 LEU 67 4.685 -3.760 -0.147 424 3HD2 LEU 67 3HD2 LEU 67 3.558 -2.802 0.844 425 H THR 68 H THR 68 1.038 -7.312 2.602 426 HA THR 68 HA THR 68 -0.225 -9.232 0.837 427 HB THR 68 HB THR 68 -0.581 -9.660 3.156 428 HG1 THR 68 1HG THR 68 -2.743 -9.691 2.695 429 1HG2 THR 68 1HG2 THR 68 -1.807 -7.516 4.373 430 2HG2 THR 68 2HG2 THR 68 -0.070 -7.866 4.532 431 3HG2 THR 68 3HG2 THR 68 -0.631 -6.672 3.337 432 H VAL 69 H VAL 69 -0.494 -8.146 -1.134 433 HA VAL 69 HA VAL 69 -1.621 -5.582 -1.298 434 HB VAL 69 HB VAL 69 -1.774 -7.745 -3.392 435 1HG1 VAL 69 1HG1 VAL 69 -2.107 -4.819 -3.316 436 2HG1 VAL 69 2HG1 VAL 69 -1.039 -5.397 -4.615 437 3HG1 VAL 69 3HG1 VAL 69 -2.704 -6.015 -4.492 438 1HG2 VAL 69 1HG2 VAL 69 0.582 -6.179 -3.741 439 2HG2 VAL 69 2HG2 VAL 69 0.588 -6.805 -2.074 440 3HG2 VAL 69 3HG2 VAL 69 0.445 -7.929 -3.448 441 H ARG 70 H ARG 70 -3.293 -6.111 0.496 442 HA ARG 70 HA ARG 70 -5.383 -7.796 0.033 443 1HB ARG 70 1HB ARG 70 -6.668 -6.072 1.526 444 2HB ARG 70 2HB ARG 70 -5.238 -6.859 2.212 445 1HG ARG 70 1HG ARG 70 -4.329 -4.551 0.805 446 2HG ARG 70 2HG ARG 70 -5.733 -4.039 1.758 447 1HD ARG 70 1HD ARG 70 -4.363 -3.943 3.551 448 2HD ARG 70 2HD ARG 70 -4.231 -5.707 3.486 449 HE ARG 70 HE ARG 70 -2.424 -4.627 1.575 450 1HH1 ARG 70 1HH1 ARG 70 -2.851 -4.689 5.067 451 2HH1 ARG 70 2HH1 ARG 70 -1.159 -4.537 5.404 452 1HH2 ARG 70 1HH2 ARG 70 -0.192 -4.427 2.019 453 2HH2 ARG 70 2HH2 ARG 70 0.364 -4.387 3.660 454 H ARG 71 H ARG 71 -7.389 -7.625 -1.063 455 HA ARG 71 HA ARG 71 -7.486 -5.422 -2.928 456 1HB ARG 71 1HB ARG 71 -7.670 -7.699 -3.848 457 2HB ARG 71 2HB ARG 71 -9.057 -8.045 -2.802 458 1HG ARG 71 1HG ARG 71 -9.459 -5.599 -4.353 459 2HG ARG 71 2HG ARG 71 -9.123 -6.977 -5.414 460 1HD ARG 71 1HD ARG 71 -10.919 -7.939 -3.441 461 2HD ARG 71 2HD ARG 71 -11.542 -6.347 -3.903 462 HE ARG 71 HE ARG 71 -10.991 -7.485 -6.335 463 1HH1 ARG 71 1HH1 ARG 71 -12.762 -8.659 -3.531 464 2HH1 ARG 71 2HH1 ARG 71 -13.826 -9.660 -4.462 465 1HH2 ARG 71 1HH2 ARG 71 -12.394 -8.805 -7.565 466 2HH2 ARG 71 2HH2 ARG 71 -13.614 -9.744 -6.772 467 H SER 72 H SER 72 -10.048 -7.400 -1.259 468 HA SER 72 HA SER 72 -11.632 -5.019 -1.029 469 1HB SER 72 1HB SER 72 -12.475 -7.355 -1.706 470 2HB SER 72 2HB SER 72 -12.342 -7.787 0.008 471 HG SER 72 HG SER 72 -14.489 -7.060 -0.566 472 H PHE 73 H PHE 73 -11.979 -3.862 0.869 473 HA PHE 73 HA PHE 73 -11.788 -4.925 3.420 474 1HB PHE 73 1HB PHE 73 -9.593 -3.789 4.056 475 2HB PHE 73 2HB PHE 73 -9.369 -5.131 2.929 476 HD1 PHE 73 1HD PHE 73 -8.225 -4.781 0.928 477 HD2 PHE 73 2HD PHE 73 -9.710 -1.429 3.065 478 HE1 PHE 73 1HE PHE 73 -7.008 -3.243 -0.638 479 HE2 PHE 73 2HE PHE 73 -8.493 0.109 1.499 480 HZ PHE 73 HZ PHE 73 -7.156 -0.816 -0.334 481 H GLU 74 H GLU 74 -10.843 -2.683 4.880 482 HA GLU 74 HA GLU 74 -12.678 -0.642 3.887 483 1HB GLU 74 1HB GLU 74 -12.913 -0.013 6.342 484 2HB GLU 74 2HB GLU 74 -13.622 -1.572 5.887 485 1HG GLU 74 1HG GLU 74 -10.766 -1.487 6.846 486 2HG GLU 74 2HG GLU 74 -12.060 -1.333 8.044 487 HE2 GLU 74 HE2 GLU 74 -11.191 -4.867 6.749 488 H GLY 75 H GLY 75 -11.922 1.469 3.709 489 1HA GLY 75 1HA GLY 75 -9.141 1.924 4.617 490 2HA GLY 75 2HA GLY 75 -9.780 2.509 3.094 491 H PHE 76 H PHE 76 -8.849 4.568 4.302 492 HA PHE 76 HA PHE 76 -11.167 5.842 5.538 493 1HB PHE 76 1HB PHE 76 -8.495 5.200 6.656 494 2HB PHE 76 2HB PHE 76 -8.837 6.932 6.750 495 HD1 PHE 76 1HD PHE 76 -10.106 3.586 7.714 496 HD2 PHE 76 2HD PHE 76 -10.295 7.770 8.398 497 HE1 PHE 76 1HE PHE 76 -11.475 3.187 9.780 498 HE2 PHE 76 2HE PHE 76 -11.664 7.371 10.463 499 HZ PHE 76 HZ PHE 76 -12.238 5.084 11.129 500 H LEU 77 H LEU 77 -11.447 8.014 4.968 501 HA LEU 77 HA LEU 77 -10.442 8.889 2.592 502 1HB LEU 77 1HB LEU 77 -11.750 10.158 4.934 503 2HB LEU 77 2HB LEU 77 -11.035 11.224 3.710 504 HG LEU 77 HG LEU 77 -13.455 10.821 3.397 505 1HD1 LEU 77 1HD1 LEU 77 -12.145 9.506 1.052 506 2HD1 LEU 77 2HD1 LEU 77 -13.346 10.819 1.110 507 3HD1 LEU 77 3HD1 LEU 77 -11.643 11.152 1.509 508 1HD2 LEU 77 1HD2 LEU 77 -12.722 7.963 2.722 509 2HD2 LEU 77 2HD2 LEU 77 -13.424 8.473 4.277 510 3HD2 LEU 77 3HD2 LEU 77 -14.344 8.698 2.770 511 H PHE 78 H PHE 78 -9.366 10.029 5.876 512 HA PHE 78 HA PHE 78 -6.763 9.736 5.746 513 1HB PHE 78 1HB PHE 78 -6.309 10.766 3.680 514 2HB PHE 78 2HB PHE 78 -7.730 11.812 3.780 515 HD1 PHE 78 1HD PHE 78 -7.556 14.013 4.665 516 HD2 PHE 78 2HD PHE 78 -4.241 11.375 4.901 517 HE1 PHE 78 1HE PHE 78 -6.078 15.929 5.334 518 HE2 PHE 78 2HE PHE 78 -2.764 13.290 5.570 519 HZ PHE 78 HZ PHE 78 -3.700 15.544 5.779 520 H ASP 79 H ASP 79 -9.505 11.808 6.404 521 HA ASP 79 HA ASP 79 -7.984 13.296 8.359 522 1HB ASP 79 1HB ASP 79 -9.735 14.311 6.760 523 2HB ASP 79 2HB ASP 79 -10.962 13.517 7.756 524 HD2 ASP 79 HD2 ASP 79 -9.374 15.833 10.321 525 H GLY 80 H GLY 80 -10.913 11.167 8.011 526 1HA GLY 80 1HA GLY 80 -10.561 9.533 10.139 527 2HA GLY 80 2HA GLY 80 -11.293 10.951 10.863 528 H THR 81 H THR 81 -11.796 9.450 7.596 529 HA THR 81 HA THR 81 -14.600 8.997 8.378 530 HB THR 81 HB THR 81 -13.572 9.950 5.655 531 HG1 THR 81 1HG THR 81 -14.971 11.330 7.833 532 1HG2 THR 81 1HG2 THR 81 -16.090 8.905 6.481 533 2HG2 THR 81 2HG2 THR 81 -16.294 10.673 6.457 534 3HG2 THR 81 3HG2 THR 81 -15.757 9.819 4.991 535 H ARG 82 H ARG 82 -15.326 6.973 8.143 536 HA ARG 82 HA ARG 82 -13.549 4.990 7.392 537 1HB ARG 82 1HB ARG 82 -15.555 3.485 7.524 538 2HB ARG 82 2HB ARG 82 -15.420 4.555 8.930 539 1HG ARG 82 1HG ARG 82 -16.969 6.149 7.525 540 2HG ARG 82 2HG ARG 82 -17.356 4.687 6.600 541 1HD ARG 82 1HD ARG 82 -18.441 3.685 8.396 542 2HD ARG 82 2HD ARG 82 -17.476 4.539 9.610 543 HE ARG 82 HE ARG 82 -19.011 6.477 8.215 544 1HH1 ARG 82 1HH1 ARG 82 -19.552 3.738 10.357 545 2HH1 ARG 82 2HH1 ARG 82 -21.024 4.375 11.008 546 1HH2 ARG 82 1HH2 ARG 82 -20.953 7.318 9.074 547 2HH2 ARG 82 2HH2 ARG 82 -21.827 6.425 10.274 548 H TRP 83 H TRP 83 -13.703 3.460 5.542 549 HA TRP 83 HA TRP 83 -15.422 4.018 3.362 550 1HB TRP 83 1HB TRP 83 -13.825 5.936 3.216 551 2HB TRP 83 2HB TRP 83 -12.531 4.772 2.925 552 HD1 TRP 83 HD TRP 83 -12.050 4.549 0.377 553 HE1 TRP 83 1HE TRP 83 -13.351 4.708 -1.914 554 HE3 TRP 83 3HE TRP 83 -16.601 5.520 2.426 555 HZ2 TRP 83 2HZ TRP 83 -16.076 5.211 -2.596 556 HZ3 TRP 83 3HZ TRP 83 -18.529 5.832 0.877 557 HH2 TRP 83 HH TRP 83 -18.321 5.691 -1.554 558 H GLY 84 H GLY 84 -14.152 2.748 1.311 559 1HA GLY 84 1HA GLY 84 -13.020 0.855 0.652 560 2HA GLY 84 2HA GLY 84 -12.717 0.427 2.325 561 H THR 85 H THR 85 -14.057 -1.039 3.365 562 HA THR 85 HA THR 85 -15.436 -2.841 3.279 563 HB THR 85 HB THR 85 -16.585 -0.553 4.166 564 HG1 THR 85 1HG THR 85 -17.358 -2.406 5.130 565 1HG2 THR 85 1HG2 THR 85 -17.592 -0.487 1.615 566 2HG2 THR 85 2HG2 THR 85 -18.796 -1.541 2.395 567 3HG2 THR 85 3HG2 THR 85 -18.502 0.097 3.028 568 H VAL 86 H VAL 86 -14.256 -2.357 0.680 569 HA VAL 86 HA VAL 86 -16.125 -3.887 -0.838 570 HB VAL 86 HB VAL 86 -16.649 -1.284 -1.014 571 1HG1 VAL 86 1HG1 VAL 86 -14.905 -1.515 -3.438 572 2HG1 VAL 86 2HG1 VAL 86 -15.452 -0.070 -2.553 573 3HG1 VAL 86 3HG1 VAL 86 -14.148 -1.082 -1.885 574 1HG2 VAL 86 1HG2 VAL 86 -16.798 -2.378 -3.703 575 2HG2 VAL 86 2HG2 VAL 86 -17.259 -3.590 -2.483 576 3HG2 VAL 86 3HG2 VAL 86 -18.101 -2.022 -2.544 577 H ASP 87 H ASP 87 -15.036 -3.895 -3.303 578 HA ASP 87 HA ASP 87 -12.496 -5.019 -2.766 579 1HB ASP 87 1HB ASP 87 -14.109 -4.535 -5.297 580 2HB ASP 87 2HB ASP 87 -12.510 -5.292 -5.341 581 HD2 ASP 87 HD2 ASP 87 -14.934 -7.941 -5.250 582 H CYS 88 H CYS 88 -10.940 -3.401 -2.258 583 HA CYS 88 HA CYS 88 -10.809 -0.864 -3.112 584 1HB CYS 88 1HB CYS 88 -8.619 -0.802 -2.428 585 2HB CYS 88 2HB CYS 88 -9.297 -2.144 -1.490 586 H THR 89 H THR 89 -10.155 -3.841 -4.926 587 HA THR 89 HA THR 89 -8.574 -2.929 -6.980 588 HB THR 89 HB THR 89 -9.656 -5.288 -6.340 589 HG1 THR 89 1HG THR 89 -9.319 -5.688 -8.799 590 1HG2 THR 89 1HG2 THR 89 -11.374 -4.452 -8.719 591 2HG2 THR 89 2HG2 THR 89 -11.474 -5.953 -7.768 592 3HG2 THR 89 3HG2 THR 89 -12.008 -4.411 -7.057 593 H THR 90 H THR 90 -11.884 -2.058 -6.217 594 HA THR 90 HA THR 90 -12.567 -1.185 -8.839 595 HB THR 90 HB THR 90 -13.692 -1.185 -6.071 596 HG1 THR 90 1HG THR 90 -14.954 -2.454 -7.369 597 1HG2 THR 90 1HG2 THR 90 -14.232 1.017 -8.093 598 2HG2 THR 90 2HG2 THR 90 -15.569 0.376 -7.109 599 3HG2 THR 90 3HG2 THR 90 -14.165 1.129 -6.318 600 H ALA 91 H ALA 91 -10.641 0.140 -6.225 601 HA ALA 91 HA ALA 91 -10.600 2.697 -7.679 602 1HB ALA 91 1HB ALA 91 -10.720 3.792 -5.700 603 2HB ALA 91 2HB ALA 91 -11.322 2.247 -5.051 604 3HB ALA 91 3HB ALA 91 -9.597 2.663 -4.903 605 H ALA 92 H ALA 92 -9.109 0.400 -8.539 606 HA ALA 92 HA ALA 92 -7.004 -0.450 -8.646 607 1HB ALA 92 1HB ALA 92 -6.081 2.340 -9.201 608 2HB ALA 92 2HB ALA 92 -5.920 0.866 -10.185 609 3HB ALA 92 3HB ALA 92 -7.468 1.742 -10.143 610 H CYS 93 H CYS 93 -7.270 -0.529 -6.045 611 HA CYS 93 HA CYS 93 -6.042 1.163 -4.369 612 1HB CYS 93 1HB CYS 93 -5.200 -1.247 -3.384 613 2HB CYS 93 2HB CYS 93 -6.770 -0.482 -3.074 614 H GLN 94 H GLN 94 -3.786 0.884 -3.278 615 HA GLN 94 HA GLN 94 -1.810 -0.046 -5.176 616 1HB GLN 94 1HB GLN 94 -0.522 1.995 -5.079 617 2HB GLN 94 2HB GLN 94 -2.169 2.416 -5.578 618 1HG GLN 94 1HG GLN 94 -1.554 2.444 -2.643 619 2HG GLN 94 2HG GLN 94 -0.851 3.741 -3.621 620 1HE2 GLN 94 1HE2 GLN 94 -2.014 5.490 -3.418 621 2HE2 GLN 94 2HE2 GLN 94 -3.741 5.616 -3.458 622 H VAL 95 H VAL 95 0.331 -0.427 -4.166 623 HA VAL 95 HA VAL 95 0.160 -0.545 -1.236 624 HB VAL 95 HB VAL 95 1.098 -2.650 -3.187 625 1HG1 VAL 95 1HG1 VAL 95 2.306 -2.046 -0.732 626 2HG1 VAL 95 2HG1 VAL 95 1.244 -3.434 -0.392 627 3HG1 VAL 95 3HG1 VAL 95 2.475 -3.547 -1.674 628 1HG2 VAL 95 1HG2 VAL 95 -0.511 -3.931 -1.443 629 2HG2 VAL 95 2HG2 VAL 95 -1.237 -2.307 -1.374 630 3HG2 VAL 95 3HG2 VAL 95 -1.104 -3.158 -2.933 631 H GLY 96 H GLY 96 1.821 0.473 -0.226 632 1HA GLY 96 1HA GLY 96 4.420 0.617 -1.535 633 2HA GLY 96 2HA GLY 96 3.590 2.140 -1.289 634 H LEU 97 H LEU 97 5.961 1.938 -0.009 635 HA LEU 97 HA LEU 97 5.511 0.883 2.651 636 1HB LEU 97 1HB LEU 97 7.672 0.588 2.637 637 2HB LEU 97 2HB LEU 97 7.728 1.211 0.978 638 HG LEU 97 HG LEU 97 9.373 2.273 2.472 639 1HD1 LEU 97 1HD1 LEU 97 7.882 4.674 2.078 640 2HD1 LEU 97 2HD1 LEU 97 9.217 4.010 1.106 641 3HD1 LEU 97 3HD1 LEU 97 7.536 3.567 0.728 642 1HD2 LEU 97 1HD2 LEU 97 7.403 3.906 3.925 643 2HD2 LEU 97 2HD2 LEU 97 7.432 2.189 4.393 644 3HD2 LEU 97 3HD2 LEU 97 8.921 3.161 4.480 645 H SER 98 H SER 98 5.380 2.135 4.549 646 HA SER 98 HA SER 98 5.125 4.994 4.066 647 1HB SER 98 1HB SER 98 3.340 4.555 6.115 648 2HB SER 98 2HB SER 98 2.890 4.733 4.410 649 HG SER 98 HG SER 98 2.148 2.749 5.743 650 H ASP 99 H ASP 99 6.230 6.255 5.560 651 HA ASP 99 HA ASP 99 7.561 4.774 7.656 652 1HB ASP 99 1HB ASP 99 8.458 7.422 7.745 653 2HB ASP 99 2HB ASP 99 9.277 6.076 6.936 654 HD2 ASP 99 HD2 ASP 99 9.095 8.067 4.147 655 H ALA 100 H ALA 100 7.899 6.252 9.778 656 HA ALA 100 HA ALA 100 5.244 6.997 10.635 657 1HB ALA 100 1HB ALA 100 7.936 6.632 11.987 658 2HB ALA 100 2HB ALA 100 6.519 7.280 12.849 659 3HB ALA 100 3HB ALA 100 6.467 5.640 12.157 660 H ALA 101 H ALA 101 7.265 8.560 8.703 661 HA ALA 101 HA ALA 101 6.793 11.131 10.041 662 1HB ALA 101 1HB ALA 101 9.276 10.060 8.683 663 2HB ALA 101 2HB ALA 101 8.960 11.810 8.764 664 3HB ALA 101 3HB ALA 101 9.120 10.864 10.263 665 H GLY 102 H GLY 102 7.225 9.250 6.999 666 1HA GLY 102 1HA GLY 102 6.252 11.438 5.370 667 2HA GLY 102 2HA GLY 102 6.719 9.832 4.846 668 H ASN 103 H ASN 103 5.165 8.037 6.102 669 HA ASN 103 HA ASN 103 3.216 7.091 5.705 670 1HB ASN 103 1HB ASN 103 1.620 7.697 7.342 671 2HB ASN 103 2HB ASN 103 3.110 8.386 8.004 672 1HD2 ASN 103 1HD2 ASN 103 3.563 10.637 7.562 673 2HD2 ASN 103 2HD2 ASN 103 2.268 11.776 7.415 674 H GLY 104 H GLY 104 0.522 8.335 5.659 675 1HA GLY 104 1HA GLY 104 -0.874 9.579 4.359 676 2HA GLY 104 2HA GLY 104 0.501 10.321 3.565 677 HA PRO 105 HA PRO 105 -1.154 7.473 0.507 678 1HB PRO 105 1HB PRO 105 -0.982 9.166 -1.629 679 2HB PRO 105 2HB PRO 105 -2.432 9.003 -0.643 680 1HG PRO 105 1HG PRO 105 -0.392 11.134 -0.674 681 2HG PRO 105 2HG PRO 105 -2.077 11.202 -0.043 682 1HD PRO 105 1HD PRO 105 0.372 11.013 1.429 683 2HD PRO 105 2HD PRO 105 -1.265 10.916 2.089 684 H GLU 106 H GLU 106 0.135 5.850 -0.061 685 HA GLU 106 HA GLU 106 2.868 6.502 -0.484 686 1HB GLU 106 1HB GLU 106 1.262 3.932 -0.549 687 2HB GLU 106 2HB GLU 106 2.983 3.958 -0.975 688 1HG GLU 106 1HG GLU 106 2.462 3.388 1.449 689 2HG GLU 106 2HG GLU 106 3.594 4.734 1.231 690 HE2 GLU 106 HE2 GLU 106 1.526 6.717 3.104 691 H GLY 107 H GLY 107 1.424 4.013 -2.542 692 1HA GLY 107 1HA GLY 107 0.731 5.256 -4.836 693 2HA GLY 107 2HA GLY 107 2.482 5.314 -4.895 694 H VAL 108 H VAL 108 2.389 3.881 -6.785 695 HA VAL 108 HA VAL 108 2.672 1.902 -7.730 696 HB VAL 108 HB VAL 108 2.882 1.190 -4.840 697 1HG1 VAL 108 1HG1 VAL 108 3.516 -1.196 -5.825 698 2HG1 VAL 108 2HG1 VAL 108 1.849 -0.798 -5.342 699 3HG1 VAL 108 3HG1 VAL 108 2.317 -0.738 -7.058 700 1HG2 VAL 108 1HG2 VAL 108 5.131 0.783 -5.329 701 2HG2 VAL 108 2HG2 VAL 108 4.811 0.524 -7.061 702 3HG2 VAL 108 3HG2 VAL 108 4.729 2.165 -6.377 703 H ALA 109 H ALA 109 0.490 2.480 -8.601 704 HA ALA 109 HA ALA 109 -1.794 1.290 -7.377 705 1HB ALA 109 1HB ALA 109 -2.986 2.331 -9.101 706 2HB ALA 109 2HB ALA 109 -1.562 3.387 -8.936 707 3HB ALA 109 3HB ALA 109 -1.636 2.194 -10.254 708 H ILE 110 H ILE 110 -2.069 -0.884 -7.300 709 HA ILE 110 HA ILE 110 -1.210 -2.396 -9.668 710 HB ILE 110 HB ILE 110 -1.361 -3.260 -6.778 711 1HG1 ILE 110 1HG1 ILE 110 0.981 -2.704 -8.607 712 2HG1 ILE 110 2HG1 ILE 110 0.534 -1.811 -7.144 713 1HG2 ILE 110 1HG2 ILE 110 -1.553 -5.336 -7.541 714 2HG2 ILE 110 2HG2 ILE 110 -1.412 -4.792 -9.229 715 3HG2 ILE 110 3HG2 ILE 110 0.054 -5.154 -8.285 716 1HD1 ILE 110 1HD1 ILE 110 0.752 -4.611 -6.483 717 2HD1 ILE 110 2HD1 ILE 110 2.209 -4.127 -7.382 718 3HD1 ILE 110 3HD1 ILE 110 1.748 -3.256 -5.899 719 H SER 111 H SER 111 -2.627 -4.020 -10.486 720 HA SER 111 HA SER 111 -5.366 -3.382 -9.927 721 1HB SER 111 1HB SER 111 -4.163 -3.855 -12.242 722 2HB SER 111 2HB SER 111 -4.525 -5.546 -11.855 723 HG SER 111 HG SER 111 -6.808 -4.660 -11.464 724 H PHE 112 H PHE 112 -6.557 -4.497 -8.427 725 HA PHE 112 HA PHE 112 -5.514 -7.070 -7.544 726 1HB PHE 112 1HB PHE 112 -7.685 -5.143 -6.535 727 2HB PHE 112 2HB PHE 112 -7.205 -6.610 -5.678 728 HD1 PHE 112 1HD PHE 112 -5.524 -3.624 -7.181 729 HD2 PHE 112 2HD PHE 112 -5.822 -6.272 -3.879 730 HE1 PHE 112 1HE PHE 112 -3.748 -2.322 -5.976 731 HE2 PHE 112 2HE PHE 112 -4.046 -4.970 -2.674 732 HZ PHE 112 HZ PHE 112 -3.031 -3.010 -3.736 733 H ASN 113 H ASN 113 -7.163 -6.416 -10.124 734 HA ASN 113 HA ASN 113 -9.708 -7.318 -9.877 735 1HB ASN 113 1HB ASN 113 -8.799 -6.396 -11.968 736 2HB ASN 113 2HB ASN 113 -7.707 -7.777 -12.152 737 1HD2 ASN 113 1HD2 ASN 113 -8.525 -8.374 -14.118 738 2HD2 ASN 113 2HD2 ASN 113 -10.086 -9.089 -14.341 Start of MODEL 27 1 H ALA 1 H ALA 1 15.131 12.263 -5.966 2 HA ALA 1 HA ALA 1 16.232 10.349 -6.082 3 1HB ALA 1 1HB ALA 1 14.982 10.012 -3.331 4 2HB ALA 1 2HB ALA 1 16.181 8.882 -4.004 5 3HB ALA 1 3HB ALA 1 16.621 10.584 -3.725 6 H ALA 2 H ALA 2 14.263 8.265 -4.198 7 HA ALA 2 HA ALA 2 12.374 7.656 -6.270 8 1HB ALA 2 1HB ALA 2 13.559 5.159 -5.964 9 2HB ALA 2 2HB ALA 2 13.728 6.227 -7.378 10 3HB ALA 2 3HB ALA 2 14.952 6.260 -6.087 11 HA PRO 3 HA PRO 3 11.499 6.560 -1.879 12 1HB PRO 3 1HB PRO 3 9.871 8.637 -1.174 13 2HB PRO 3 2HB PRO 3 11.587 8.579 -0.774 14 1HG PRO 3 1HG PRO 3 10.177 10.121 -2.856 15 2HG PRO 3 2HG PRO 3 11.805 10.419 -2.147 16 1HD PRO 3 1HD PRO 3 11.153 9.316 -4.707 17 2HD PRO 3 2HD PRO 3 12.765 9.441 -3.992 18 H THR 4 H THR 4 10.536 4.815 -3.103 19 HA THR 4 HA THR 4 7.717 4.871 -2.721 20 HB THR 4 HB THR 4 7.461 4.375 -5.349 21 HG1 THR 4 1HG THR 4 9.103 5.618 -6.464 22 1HG2 THR 4 1HG2 THR 4 7.971 7.283 -4.978 23 2HG2 THR 4 2HG2 THR 4 6.484 6.456 -5.502 24 3HG2 THR 4 3HG2 THR 4 6.866 6.587 -3.768 25 H ALA 5 H ALA 5 6.827 2.812 -2.679 26 HA ALA 5 HA ALA 5 8.837 0.692 -2.955 27 1HB ALA 5 1HB ALA 5 8.006 -0.174 -1.039 28 2HB ALA 5 2HB ALA 5 7.211 1.403 -0.821 29 3HB ALA 5 3HB ALA 5 6.321 0.054 -1.567 30 H THR 6 H THR 6 8.271 -1.274 -4.049 31 HA THR 6 HA THR 6 5.776 -1.175 -5.582 32 HB THR 6 HB THR 6 6.918 -1.421 -7.659 33 HG1 THR 6 1HG THR 6 9.269 -2.001 -7.525 34 1HG2 THR 6 1HG2 THR 6 8.474 0.381 -7.830 35 2HG2 THR 6 2HG2 THR 6 7.457 0.857 -6.449 36 3HG2 THR 6 3HG2 THR 6 9.063 0.143 -6.167 37 H VAL 7 H VAL 7 5.098 -3.269 -6.430 38 HA VAL 7 HA VAL 7 6.232 -5.433 -4.795 39 HB VAL 7 HB VAL 7 3.859 -4.533 -4.354 40 1HG1 VAL 7 1HG1 VAL 7 3.483 -5.937 -7.001 41 2HG1 VAL 7 2HG1 VAL 7 2.161 -5.824 -5.814 42 3HG1 VAL 7 3HG1 VAL 7 2.888 -4.343 -6.480 43 1HG2 VAL 7 1HG2 VAL 7 4.873 -7.303 -4.503 44 2HG2 VAL 7 2HG2 VAL 7 4.115 -6.425 -3.153 45 3HG2 VAL 7 3HG2 VAL 7 3.101 -7.161 -4.418 46 H THR 8 H THR 8 6.537 -7.486 -5.792 47 HA THR 8 HA THR 8 7.563 -7.526 -8.295 48 HB THR 8 HB THR 8 6.542 -9.463 -6.301 49 HG1 THR 8 1HG THR 8 8.637 -9.363 -8.358 50 1HG2 THR 8 1HG2 THR 8 6.424 -10.056 -9.277 51 2HG2 THR 8 2HG2 THR 8 6.987 -11.317 -8.155 52 3HG2 THR 8 3HG2 THR 8 5.352 -10.637 -7.981 53 HA PRO 9 HA PRO 9 3.381 -8.554 -10.171 54 1HB PRO 9 1HB PRO 9 1.113 -8.456 -8.652 55 2HB PRO 9 2HB PRO 9 1.998 -9.948 -8.968 56 1HG PRO 9 1HG PRO 9 1.915 -8.267 -6.545 57 2HG PRO 9 2HG PRO 9 2.412 -9.991 -6.700 58 1HD PRO 9 1HD PRO 9 4.073 -7.682 -6.366 59 2HD PRO 9 2HD PRO 9 4.616 -9.336 -6.674 60 H SER 10 H SER 10 0.839 -7.342 -10.141 61 HA SER 10 HA SER 10 1.082 -4.662 -9.458 62 1HB SER 10 1HB SER 10 1.707 -3.566 -11.384 63 2HB SER 10 2HB SER 10 2.688 -5.031 -11.564 64 HG SER 10 HG SER 10 1.006 -5.895 -12.946 65 H SER 11 H SER 11 -0.343 -7.371 -11.181 66 HA SER 11 HA SER 11 -2.926 -6.406 -10.599 67 1HB SER 11 1HB SER 11 -3.764 -6.431 -12.961 68 2HB SER 11 2HB SER 11 -2.642 -5.099 -12.631 69 HG SER 11 HG SER 11 -1.596 -7.558 -13.641 70 H GLY 12 H GLY 12 -4.628 -8.063 -11.593 71 1HA GLY 12 1HA GLY 12 -5.330 -10.189 -11.780 72 2HA GLY 12 2HA GLY 12 -3.792 -10.568 -12.531 73 H LEU 13 H LEU 13 -4.026 -9.171 -9.249 74 HA LEU 13 HA LEU 13 -2.719 -11.551 -8.232 75 1HB LEU 13 1HB LEU 13 -3.356 -8.978 -6.806 76 2HB LEU 13 2HB LEU 13 -2.210 -10.236 -6.311 77 HG LEU 13 HG LEU 13 -1.957 -8.111 -8.409 78 1HD1 LEU 13 1HD1 LEU 13 0.165 -9.171 -6.550 79 2HD1 LEU 13 2HD1 LEU 13 0.053 -7.581 -7.340 80 3HD1 LEU 13 3HD1 LEU 13 -1.054 -7.993 -6.008 81 1HD2 LEU 13 1HD2 LEU 13 -1.572 -10.498 -9.382 82 2HD2 LEU 13 2HD2 LEU 13 -0.384 -9.211 -9.694 83 3HD2 LEU 13 3HD2 LEU 13 -0.059 -10.438 -8.446 84 H SER 14 H SER 14 -3.884 -10.822 -5.473 85 HA SER 14 HA SER 14 -6.635 -11.523 -5.808 86 1HB SER 14 1HB SER 14 -5.062 -13.666 -5.807 87 2HB SER 14 2HB SER 14 -5.063 -13.405 -4.054 88 HG SER 14 HG SER 14 -7.176 -14.171 -5.805 89 H ASP 15 H ASP 15 -7.803 -11.468 -3.659 90 HA ASP 15 HA ASP 15 -7.060 -9.282 -2.209 91 1HB ASP 15 1HB ASP 15 -8.672 -10.248 -0.454 92 2HB ASP 15 2HB ASP 15 -9.330 -10.012 -2.081 93 HD2 ASP 15 HD2 ASP 15 -9.806 -13.446 -0.524 94 H GLY 16 H GLY 16 -5.000 -9.255 -1.214 95 1HA GLY 16 1HA GLY 16 -3.725 -9.643 0.677 96 2HA GLY 16 2HA GLY 16 -4.587 -11.139 0.978 97 H THR 17 H THR 17 -3.167 -10.123 -2.174 98 HA THR 17 HA THR 17 -1.829 -12.618 -2.442 99 HB THR 17 HB THR 17 -2.319 -10.114 -4.000 100 HG1 THR 17 1HG THR 17 -2.390 -12.062 -5.583 101 1HG2 THR 17 1HG2 THR 17 0.239 -11.711 -4.194 102 2HG2 THR 17 2HG2 THR 17 -0.589 -11.280 -5.710 103 3HG2 THR 17 3HG2 THR 17 -0.053 -10.001 -4.594 104 H VAL 18 H VAL 18 -0.515 -12.813 -0.556 105 HA VAL 18 HA VAL 18 1.449 -10.856 0.025 106 HB VAL 18 HB VAL 18 1.502 -13.758 0.832 107 1HG1 VAL 18 1HG1 VAL 18 2.964 -11.383 1.566 108 2HG1 VAL 18 2HG1 VAL 18 2.079 -12.007 2.978 109 3HG1 VAL 18 3HG1 VAL 18 3.205 -13.065 2.094 110 1HG2 VAL 18 1HG2 VAL 18 0.129 -12.761 2.862 111 2HG2 VAL 18 2HG2 VAL 18 -0.434 -11.611 1.626 112 3HG2 VAL 18 3HG2 VAL 18 -0.692 -13.357 1.400 113 H VAL 19 H VAL 19 2.834 -10.350 -1.648 114 HA VAL 19 HA VAL 19 4.391 -12.615 -2.686 115 HB VAL 19 HB VAL 19 4.567 -11.339 -4.802 116 1HG1 VAL 19 1HG1 VAL 19 3.047 -12.995 -5.144 117 2HG1 VAL 19 2HG1 VAL 19 2.049 -12.521 -3.749 118 3HG1 VAL 19 3HG1 VAL 19 1.927 -11.618 -5.278 119 1HG2 VAL 19 1HG2 VAL 19 4.008 -9.174 -4.787 120 2HG2 VAL 19 2HG2 VAL 19 2.306 -9.695 -4.759 121 3HG2 VAL 19 3HG2 VAL 19 3.152 -9.335 -3.235 122 H LYS 20 H LYS 20 6.485 -11.488 -3.855 123 HA LYS 20 HA LYS 20 7.880 -10.329 -1.667 124 1HB LYS 20 1HB LYS 20 8.486 -11.449 -4.309 125 2HB LYS 20 2HB LYS 20 9.554 -10.117 -3.833 126 1HG LYS 20 1HG LYS 20 10.129 -11.253 -1.761 127 2HG LYS 20 2HG LYS 20 8.920 -12.515 -2.054 128 1HD LYS 20 1HD LYS 20 10.252 -13.613 -3.563 129 2HD LYS 20 2HD LYS 20 10.935 -12.117 -4.223 130 1HE LYS 20 1HE LYS 20 12.024 -12.038 -1.746 131 2HE LYS 20 2HE LYS 20 11.846 -13.791 -1.904 132 1HZ LYS 20 1HZ LYS 20 13.634 -13.741 -3.161 133 2HZ LYS 20 2HZ LYS 20 12.859 -12.838 -4.279 134 3HZ LYS 20 3HZ LYS 20 13.722 -12.111 -3.098 135 H VAL 21 H VAL 21 8.899 -8.229 -1.588 136 HA VAL 21 HA VAL 21 7.867 -6.294 -3.509 137 HB VAL 21 HB VAL 21 6.377 -6.522 -1.440 138 1HG1 VAL 21 1HG1 VAL 21 8.912 -5.978 -0.168 139 2HG1 VAL 21 2HG1 VAL 21 7.742 -4.695 0.227 140 3HG1 VAL 21 3HG1 VAL 21 7.346 -6.398 0.565 141 1HG2 VAL 21 1HG2 VAL 21 6.061 -4.064 -1.293 142 2HG2 VAL 21 2HG2 VAL 21 7.587 -3.836 -2.181 143 3HG2 VAL 21 3HG2 VAL 21 6.210 -4.641 -2.971 144 H ALA 22 H ALA 22 9.176 -4.354 -3.640 145 HA ALA 22 HA ALA 22 11.577 -4.279 -2.039 146 1HB ALA 22 1HB ALA 22 12.322 -5.815 -3.734 147 2HB ALA 22 2HB ALA 22 11.595 -4.835 -5.029 148 3HB ALA 22 3HB ALA 22 13.008 -4.224 -4.136 149 H GLY 23 H GLY 23 12.495 -2.184 -1.991 150 1HA GLY 23 1HA GLY 23 12.743 -0.007 -2.861 151 2HA GLY 23 2HA GLY 23 11.209 -0.159 -3.697 152 H ALA 24 H ALA 24 11.326 2.115 -2.362 153 HA ALA 24 HA ALA 24 9.239 2.364 -0.797 154 1HB ALA 24 1HB ALA 24 9.711 0.767 0.834 155 2HB ALA 24 2HB ALA 24 11.459 1.106 0.808 156 3HB ALA 24 3HB ALA 24 10.341 2.247 1.594 157 H GLY 25 H GLY 25 10.302 3.927 1.460 158 1HA GLY 25 1HA GLY 25 10.808 6.350 0.122 159 2HA GLY 25 2HA GLY 25 10.955 6.044 1.841 160 H LEU 26 H LEU 26 12.840 3.696 0.354 161 HA LEU 26 HA LEU 26 15.036 3.375 0.362 162 1HB LEU 26 1HB LEU 26 14.815 4.292 -1.799 163 2HB LEU 26 2HB LEU 26 14.815 5.954 -1.183 164 HG LEU 26 HG LEU 26 17.234 5.105 -0.305 165 1HD1 LEU 26 1HD1 LEU 26 18.342 3.796 -2.024 166 2HD1 LEU 26 2HD1 LEU 26 16.971 2.889 -1.342 167 3HD1 LEU 26 3HD1 LEU 26 16.821 3.662 -2.938 168 1HD2 LEU 26 1HD2 LEU 26 18.110 6.618 -1.773 169 2HD2 LEU 26 2HD2 LEU 26 17.114 6.050 -3.135 170 3HD2 LEU 26 3HD2 LEU 26 16.391 7.070 -1.867 171 H GLN 27 H GLN 27 14.624 3.817 2.836 172 HA GLN 27 HA GLN 27 15.833 6.248 3.727 173 1HB GLN 27 1HB GLN 27 13.946 5.363 4.967 174 2HB GLN 27 2HB GLN 27 14.765 3.812 5.217 175 1HG GLN 27 1HG GLN 27 14.799 5.442 7.187 176 2HG GLN 27 2HG GLN 27 16.378 4.807 6.698 177 1HE2 GLN 27 1HE2 GLN 27 17.608 6.462 7.396 178 2HE2 GLN 27 2HE2 GLN 27 17.571 8.071 6.757 179 H ALA 28 H ALA 28 16.528 3.239 5.460 180 HA ALA 28 HA ALA 28 18.890 2.436 4.395 181 1HB ALA 28 1HB ALA 28 20.212 4.271 4.608 182 2HB ALA 28 2HB ALA 28 19.129 5.034 5.796 183 3HB ALA 28 3HB ALA 28 20.298 3.799 6.321 184 H GLY 29 H GLY 29 18.091 0.474 5.215 185 1HA GLY 29 1HA GLY 29 17.602 -1.105 6.749 186 2HA GLY 29 2HA GLY 29 18.980 -0.452 7.612 187 H THR 30 H THR 30 15.943 1.346 6.925 188 HA THR 30 HA THR 30 15.489 1.446 9.831 189 HB THR 30 HB THR 30 15.210 3.390 7.535 190 HG1 THR 30 1HG THR 30 15.806 3.490 10.409 191 1HG2 THR 30 1HG2 THR 30 13.723 4.822 8.873 192 2HG2 THR 30 2HG2 THR 30 12.901 3.265 8.602 193 3HG2 THR 30 3HG2 THR 30 13.666 3.606 10.172 194 H ALA 31 H ALA 31 13.123 1.738 10.456 195 HA ALA 31 HA ALA 31 11.728 -0.510 9.434 196 1HB ALA 31 1HB ALA 31 11.703 1.133 11.737 197 2HB ALA 31 2HB ALA 31 10.094 1.310 10.997 198 3HB ALA 31 3HB ALA 31 10.703 -0.306 11.425 199 H TYR 32 H TYR 32 9.769 -0.573 8.222 200 HA TYR 32 HA TYR 32 8.911 1.959 7.047 201 1HB TYR 32 1HB TYR 32 10.302 -0.403 5.823 202 2HB TYR 32 2HB TYR 32 8.857 0.104 4.943 203 HD1 TYR 32 1HD TYR 32 12.317 0.494 5.156 204 HD2 TYR 32 2HD TYR 32 8.750 2.785 4.575 205 HE1 TYR 32 1HE TYR 32 13.667 2.317 4.008 206 HE2 TYR 32 2HE TYR 32 10.113 4.600 3.430 207 HH TYR 32 HH TYR 32 12.280 5.396 3.279 208 H ASP 33 H ASP 33 7.098 1.543 8.567 209 HA ASP 33 HA ASP 33 5.608 -0.724 8.587 210 1HB ASP 33 1HB ASP 33 5.450 1.583 9.888 211 2HB ASP 33 2HB ASP 33 4.249 1.979 8.649 212 HD2 ASP 33 HD2 ASP 33 1.857 0.342 10.437 213 H VAL 34 H VAL 34 4.368 -1.721 6.987 214 HA VAL 34 HA VAL 34 4.133 -0.645 4.429 215 HB VAL 34 HB VAL 34 2.541 -2.828 5.790 216 1HG1 VAL 34 1HG1 VAL 34 2.923 -2.135 2.862 217 2HG1 VAL 34 2HG1 VAL 34 2.289 -3.697 3.438 218 3HG1 VAL 34 3HG1 VAL 34 1.399 -2.194 3.781 219 1HG2 VAL 34 1HG2 VAL 34 5.243 -2.768 4.466 220 2HG2 VAL 34 2HG2 VAL 34 4.741 -3.546 5.986 221 3HG2 VAL 34 3HG2 VAL 34 4.257 -4.249 4.424 222 H GLY 35 H GLY 35 2.083 -0.114 3.254 223 1HA GLY 35 1HA GLY 35 -0.089 0.878 4.930 224 2HA GLY 35 2HA GLY 35 0.818 2.077 4.031 225 H GLN 36 H GLN 36 -2.046 0.826 3.840 226 HA GLN 36 HA GLN 36 -1.862 0.382 0.966 227 1HB GLN 36 1HB GLN 36 -3.298 -1.225 3.062 228 2HB GLN 36 2HB GLN 36 -4.025 -1.100 1.450 229 1HG GLN 36 1HG GLN 36 -1.295 -1.628 0.985 230 2HG GLN 36 2HG GLN 36 -1.721 -2.675 2.346 231 1HE2 GLN 36 1HE2 GLN 36 -3.416 -1.466 -0.548 232 2HE2 GLN 36 2HE2 GLN 36 -3.922 -3.003 -1.164 233 H CYS 37 H CYS 37 -2.936 1.972 -0.116 234 HA CYS 37 HA CYS 37 -5.302 3.083 1.202 235 1HB CYS 37 1HB CYS 37 -3.436 4.727 -0.477 236 2HB CYS 37 2HB CYS 37 -4.747 5.283 0.578 237 H ALA 38 H ALA 38 -6.607 4.392 -0.627 238 HA ALA 38 HA ALA 38 -6.302 3.141 -3.232 239 1HB ALA 38 1HB ALA 38 -8.263 1.959 -3.211 240 2HB ALA 38 2HB ALA 38 -7.935 1.900 -1.463 241 3HB ALA 38 3HB ALA 38 -9.069 3.107 -2.116 242 H TRP 39 H TRP 39 -7.081 4.453 -4.914 243 HA TRP 39 HA TRP 39 -7.704 7.166 -4.073 244 1HB TRP 39 1HB TRP 39 -6.245 7.554 -5.684 245 2HB TRP 39 2HB TRP 39 -6.360 5.910 -6.319 246 HD1 TRP 39 HD TRP 39 -8.191 5.526 -8.325 247 HE1 TRP 39 1HE TRP 39 -9.376 7.121 -10.062 248 HE3 TRP 39 3HE TRP 39 -7.145 9.849 -5.861 249 HZ2 TRP 39 2HZ TRP 39 -9.734 9.949 -10.207 250 HZ3 TRP 39 3HZ TRP 39 -7.948 11.983 -6.868 251 HH2 TRP 39 HH TRP 39 -9.202 12.079 -8.964 252 H VAL 40 H VAL 40 -9.724 8.101 -4.361 253 HA VAL 40 HA VAL 40 -11.795 6.293 -5.357 254 HB VAL 40 HB VAL 40 -11.975 8.827 -3.714 255 1HG1 VAL 40 1HG1 VAL 40 -14.234 6.954 -3.650 256 2HG1 VAL 40 2HG1 VAL 40 -14.214 8.722 -3.847 257 3HG1 VAL 40 3HG1 VAL 40 -13.952 7.668 -5.257 258 1HG2 VAL 40 1HG2 VAL 40 -12.603 7.216 -1.869 259 2HG2 VAL 40 2HG2 VAL 40 -12.034 5.900 -2.924 260 3HG2 VAL 40 3HG2 VAL 40 -10.900 7.161 -2.381 261 H ASP 41 H ASP 41 -12.770 9.566 -5.270 262 HA ASP 41 HA ASP 41 -11.920 10.082 -7.968 263 1HB ASP 41 1HB ASP 41 -14.401 8.887 -7.502 264 2HB ASP 41 2HB ASP 41 -14.807 10.606 -7.625 265 HD2 ASP 41 HD2 ASP 41 -13.214 8.953 -10.885 266 H THR 42 H THR 42 -11.801 12.366 -8.326 267 HA THR 42 HA THR 42 -11.852 14.543 -7.871 268 HB THR 42 HB THR 42 -14.355 13.503 -6.590 269 HG1 THR 42 1HG THR 42 -13.494 15.754 -8.269 270 1HG2 THR 42 1HG2 THR 42 -14.741 16.102 -6.062 271 2HG2 THR 42 2HG2 THR 42 -14.043 15.031 -4.823 272 3HG2 THR 42 3HG2 THR 42 -12.981 16.082 -5.792 273 H GLY 43 H GLY 43 -9.723 14.354 -7.008 274 1HA GLY 43 1HA GLY 43 -8.171 14.245 -5.331 275 2HA GLY 43 2HA GLY 43 -9.094 15.633 -4.792 276 H VAL 44 H VAL 44 -10.233 12.213 -4.878 277 HA VAL 44 HA VAL 44 -10.383 12.337 -1.944 278 HB VAL 44 HB VAL 44 -12.216 11.094 -3.996 279 1HG1 VAL 44 1HG1 VAL 44 -11.688 9.643 -1.915 280 2HG1 VAL 44 2HG1 VAL 44 -12.630 10.857 -1.017 281 3HG1 VAL 44 3HG1 VAL 44 -13.392 9.937 -2.337 282 1HG2 VAL 44 1HG2 VAL 44 -12.199 13.592 -2.617 283 2HG2 VAL 44 2HG2 VAL 44 -13.427 12.945 -3.731 284 3HG2 VAL 44 3HG2 VAL 44 -13.554 12.625 -1.984 285 H LEU 45 H LEU 45 -9.057 10.946 -0.906 286 HA LEU 45 HA LEU 45 -8.516 8.384 -2.179 287 1HB LEU 45 1HB LEU 45 -6.764 10.181 -2.741 288 2HB LEU 45 2HB LEU 45 -6.236 9.984 -1.060 289 HG LEU 45 HG LEU 45 -6.507 7.435 -2.460 290 1HD1 LEU 45 1HD1 LEU 45 -4.330 9.240 -3.519 291 2HD1 LEU 45 2HD1 LEU 45 -4.824 7.628 -4.092 292 3HD1 LEU 45 3HD1 LEU 45 -5.890 9.030 -4.351 293 1HD2 LEU 45 1HD2 LEU 45 -4.000 8.622 -1.281 294 2HD2 LEU 45 2HD2 LEU 45 -5.325 8.021 -0.256 295 3HD2 LEU 45 3HD2 LEU 45 -4.500 6.917 -1.383 296 H ALA 46 H ALA 46 -8.959 6.819 -0.730 297 HA ALA 46 HA ALA 46 -8.892 7.587 2.100 298 1HB ALA 46 1HB ALA 46 -10.137 5.022 1.440 299 2HB ALA 46 2HB ALA 46 -10.813 6.425 2.301 300 3HB ALA 46 3HB ALA 46 -10.857 6.368 0.523 301 H CYS 47 H CYS 47 -7.416 6.674 3.464 302 HA CYS 47 HA CYS 47 -5.626 4.723 2.258 303 1HB CYS 47 1HB CYS 47 -5.379 6.856 4.238 304 2HB CYS 47 2HB CYS 47 -4.556 5.356 4.707 305 H ASN 48 H ASN 48 -4.898 2.878 3.743 306 HA ASN 48 HA ASN 48 -7.192 2.033 5.330 307 1HB ASN 48 1HB ASN 48 -6.370 0.727 3.187 308 2HB ASN 48 2HB ASN 48 -5.078 0.135 4.243 309 1HD2 ASN 48 1HD2 ASN 48 -8.487 0.178 3.540 310 2HD2 ASN 48 2HD2 ASN 48 -8.974 -1.133 4.560 311 HA PRO 49 HA PRO 49 -3.786 2.468 8.270 312 1HB PRO 49 1HB PRO 49 -5.294 3.319 10.382 313 2HB PRO 49 2HB PRO 49 -4.536 4.420 9.234 314 1HG PRO 49 1HG PRO 49 -7.352 3.572 9.474 315 2HG PRO 49 2HG PRO 49 -6.681 5.024 8.642 316 1HD PRO 49 1HD PRO 49 -7.667 2.601 7.476 317 2HD PRO 49 2HD PRO 49 -6.871 3.933 6.628 318 H ALA 50 H ALA 50 -4.937 0.022 7.477 319 HA ALA 50 HA ALA 50 -4.923 -1.261 10.117 320 1HB ALA 50 1HB ALA 50 -6.822 -1.687 7.787 321 2HB ALA 50 2HB ALA 50 -6.589 -2.903 9.066 322 3HB ALA 50 3HB ALA 50 -7.219 -1.290 9.476 323 H ASP 51 H ASP 51 -3.279 -0.716 7.319 324 HA ASP 51 HA ASP 51 -2.720 -3.091 6.189 325 1HB ASP 51 1HB ASP 51 -0.272 -2.038 6.071 326 2HB ASP 51 2HB ASP 51 -1.614 -1.328 5.160 327 HD2 ASP 51 HD2 ASP 51 0.015 0.710 8.141 328 H PHE 52 H PHE 52 -1.053 -1.528 9.031 329 HA PHE 52 HA PHE 52 0.015 -2.376 10.767 330 1HB PHE 52 1HB PHE 52 -1.008 -5.068 9.693 331 2HB PHE 52 2HB PHE 52 -0.424 -4.789 11.338 332 HD1 PHE 52 1HD PHE 52 -3.178 -5.834 10.246 333 HD2 PHE 52 2HD PHE 52 -1.824 -2.087 11.705 334 HE1 PHE 52 1HE PHE 52 -5.517 -5.270 10.965 335 HE2 PHE 52 2HE PHE 52 -4.163 -1.522 12.424 336 HZ PHE 52 HZ PHE 52 -5.980 -3.120 12.046 337 H SER 53 H SER 53 0.296 -4.634 7.934 338 HA SER 53 HA SER 53 2.557 -5.849 8.320 339 1HB SER 53 1HB SER 53 1.431 -4.491 5.904 340 2HB SER 53 2HB SER 53 3.087 -5.111 5.773 341 HG SER 53 HG SER 53 1.094 -6.817 6.890 342 H SER 54 H SER 54 4.872 -5.478 8.047 343 HA SER 54 HA SER 54 5.698 -2.749 7.724 344 1HB SER 54 1HB SER 54 7.141 -2.948 9.847 345 2HB SER 54 2HB SER 54 5.412 -2.642 10.081 346 HG SER 54 HG SER 54 6.681 -4.467 11.324 347 H VAL 55 H VAL 55 7.885 -2.603 6.984 348 HA VAL 55 HA VAL 55 9.349 -5.131 6.848 349 HB VAL 55 HB VAL 55 8.621 -5.277 4.728 350 1HG1 VAL 55 1HG1 VAL 55 8.092 -3.090 3.363 351 2HG1 VAL 55 2HG1 VAL 55 6.938 -3.700 4.574 352 3HG1 VAL 55 3HG1 VAL 55 8.020 -2.344 4.979 353 1HG2 VAL 55 1HG2 VAL 55 10.788 -3.169 4.504 354 2HG2 VAL 55 2HG2 VAL 55 10.963 -4.937 4.393 355 3HG2 VAL 55 3HG2 VAL 55 10.116 -4.044 3.108 356 H THR 56 H THR 56 11.702 -4.672 6.110 357 HA THR 56 HA THR 56 12.530 -2.130 7.349 358 HB THR 56 HB THR 56 13.639 -4.963 7.393 359 HG1 THR 56 1HG THR 56 13.195 -4.562 9.563 360 1HG2 THR 56 1HG2 THR 56 15.632 -3.632 6.906 361 2HG2 THR 56 2HG2 THR 56 15.091 -2.339 8.004 362 3HG2 THR 56 3HG2 THR 56 15.599 -3.913 8.663 363 H ALA 57 H ALA 57 14.455 -1.086 6.483 364 HA ALA 57 HA ALA 57 14.419 -1.266 3.594 365 1HB ALA 57 1HB ALA 57 14.425 0.849 5.220 366 2HB ALA 57 2HB ALA 57 16.188 0.613 5.129 367 3HB ALA 57 3HB ALA 57 15.248 0.890 3.642 368 H ASP 58 H ASP 58 16.712 -0.979 2.513 369 HA ASP 58 HA ASP 58 18.548 -2.769 3.895 370 1HB ASP 58 1HB ASP 58 19.175 -3.534 1.502 371 2HB ASP 58 2HB ASP 58 17.663 -4.153 2.183 372 HD2 ASP 58 HD2 ASP 58 16.393 -3.208 -0.881 373 H ALA 59 H ALA 59 20.547 -1.753 4.136 374 HA ALA 59 HA ALA 59 21.883 0.097 4.049 375 1HB ALA 59 1HB ALA 59 23.245 -1.419 2.940 376 2HB ALA 59 2HB ALA 59 22.123 -1.591 1.570 377 3HB ALA 59 3HB ALA 59 23.131 -0.131 1.718 378 H ASN 60 H ASN 60 21.192 0.158 0.537 379 HA ASN 60 HA ASN 60 21.187 2.717 0.114 380 1HB ASN 60 1HB ASN 60 19.722 0.451 -1.044 381 2HB ASN 60 2HB ASN 60 18.837 1.966 -1.283 382 1HD2 ASN 60 1HD2 ASN 60 19.181 2.062 -3.457 383 2HD2 ASN 60 2HD2 ASN 60 20.718 2.383 -4.189 384 H GLY 61 H GLY 61 18.334 0.869 1.398 385 1HA GLY 61 1HA GLY 61 17.199 2.059 3.268 386 2HA GLY 61 2HA GLY 61 17.105 3.440 2.194 387 H SER 62 H SER 62 16.881 0.677 0.257 388 HA SER 62 HA SER 62 14.060 1.102 -0.008 389 1HB SER 62 1HB SER 62 16.236 -0.181 -1.585 390 2HB SER 62 2HB SER 62 14.621 -0.881 -1.798 391 HG SER 62 HG SER 62 15.516 1.157 -3.107 392 H ALA 63 H ALA 63 12.429 -0.503 0.341 393 HA ALA 63 HA ALA 63 13.098 -2.405 2.367 394 1HB ALA 63 1HB ALA 63 10.800 -1.016 1.428 395 2HB ALA 63 2HB ALA 63 10.458 -2.754 1.251 396 3HB ALA 63 3HB ALA 63 10.924 -2.096 2.838 397 H SER 64 H SER 64 12.552 -4.750 2.194 398 HA SER 64 HA SER 64 12.297 -5.825 -0.414 399 1HB SER 64 1HB SER 64 14.435 -7.168 -0.275 400 2HB SER 64 2HB SER 64 14.673 -5.434 -0.563 401 HG SER 64 HG SER 64 14.681 -5.684 2.076 402 H THR 65 H THR 65 10.750 -7.347 0.054 403 HA THR 65 HA THR 65 11.266 -9.588 1.587 404 HB THR 65 HB THR 65 11.265 -8.053 3.538 405 HG1 THR 65 1HG THR 65 10.276 -10.121 3.862 406 1HG2 THR 65 1HG2 THR 65 9.884 -6.192 3.126 407 2HG2 THR 65 2HG2 THR 65 8.661 -7.167 2.275 408 3HG2 THR 65 3HG2 THR 65 8.763 -7.220 4.051 409 H SER 66 H SER 66 8.233 -9.138 2.615 410 HA SER 66 HA SER 66 7.027 -9.491 0.006 411 1HB SER 66 1HB SER 66 5.915 -11.535 0.614 412 2HB SER 66 2HB SER 66 7.641 -11.763 0.948 413 HG SER 66 HG SER 66 5.837 -12.368 2.622 414 H LEU 67 H LEU 67 5.107 -8.358 -0.117 415 HA LEU 67 HA LEU 67 3.953 -7.504 2.446 416 1HB LEU 67 1HB LEU 67 4.286 -6.139 -0.192 417 2HB LEU 67 2HB LEU 67 2.990 -5.648 0.913 418 HG LEU 67 HG LEU 67 5.886 -5.139 1.001 419 1HD1 LEU 67 1HD1 LEU 67 4.807 -3.309 2.620 420 2HD1 LEU 67 2HD1 LEU 67 4.740 -3.185 0.845 421 3HD1 LEU 67 3HD1 LEU 67 3.335 -3.800 1.749 422 1HD2 LEU 67 1HD2 LEU 67 6.001 -5.091 3.477 423 2HD2 LEU 67 2HD2 LEU 67 4.437 -5.938 3.539 424 3HD2 LEU 67 3HD2 LEU 67 5.852 -6.734 2.809 425 H THR 68 H THR 68 1.606 -7.401 2.584 426 HA THR 68 HA THR 68 0.400 -9.518 0.979 427 HB THR 68 HB THR 68 0.169 -9.708 3.402 428 HG1 THR 68 1HG THR 68 -1.747 -10.005 1.926 429 1HG2 THR 68 1HG2 THR 68 -1.549 -7.514 4.041 430 2HG2 THR 68 2HG2 THR 68 0.072 -7.833 4.704 431 3HG2 THR 68 3HG2 THR 68 -0.112 -6.807 3.261 432 H VAL 69 H VAL 69 -0.052 -8.689 -1.032 433 HA VAL 69 HA VAL 69 -1.104 -6.103 -1.394 434 HB VAL 69 HB VAL 69 -1.303 -8.501 -3.222 435 1HG1 VAL 69 1HG1 VAL 69 -0.900 -6.387 -4.848 436 2HG1 VAL 69 2HG1 VAL 69 -2.517 -6.953 -4.363 437 3HG1 VAL 69 3HG1 VAL 69 -1.765 -5.577 -3.520 438 1HG2 VAL 69 1HG2 VAL 69 0.984 -6.533 -2.879 439 2HG2 VAL 69 2HG2 VAL 69 1.007 -8.269 -2.487 440 3HG2 VAL 69 3HG2 VAL 69 0.850 -7.740 -4.180 441 H ARG 70 H ARG 70 -2.688 -6.476 0.544 442 HA ARG 70 HA ARG 70 -4.869 -8.119 0.203 443 1HB ARG 70 1HB ARG 70 -4.735 -5.444 1.667 444 2HB ARG 70 2HB ARG 70 -5.934 -6.714 1.960 445 1HG ARG 70 1HG ARG 70 -4.475 -7.970 3.183 446 2HG ARG 70 2HG ARG 70 -3.101 -7.609 2.123 447 1HD ARG 70 1HD ARG 70 -4.204 -5.397 3.840 448 2HD ARG 70 2HD ARG 70 -3.242 -6.654 4.633 449 HE ARG 70 HE ARG 70 -2.023 -5.541 2.202 450 1HH1 ARG 70 1HH1 ARG 70 -2.340 -5.229 5.692 451 2HH1 ARG 70 2HH1 ARG 70 -0.863 -4.341 5.875 452 1HH2 ARG 70 1HH2 ARG 70 -0.075 -4.371 2.443 453 2HH2 ARG 70 2HH2 ARG 70 0.434 -3.850 4.014 454 H ARG 71 H ARG 71 -6.812 -7.904 -0.933 455 HA ARG 71 HA ARG 71 -6.941 -5.641 -2.693 456 1HB ARG 71 1HB ARG 71 -7.325 -7.866 -3.640 457 2HB ARG 71 2HB ARG 71 -8.626 -8.185 -2.482 458 1HG ARG 71 1HG ARG 71 -9.897 -6.257 -3.459 459 2HG ARG 71 2HG ARG 71 -8.620 -6.055 -4.672 460 1HD ARG 71 1HD ARG 71 -10.410 -7.354 -5.664 461 2HD ARG 71 2HD ARG 71 -9.047 -8.452 -5.397 462 HE ARG 71 HE ARG 71 -10.833 -8.424 -3.119 463 1HH1 ARG 71 1HH1 ARG 71 -10.503 -9.696 -6.384 464 2HH1 ARG 71 2HH1 ARG 71 -11.520 -11.067 -6.090 465 1HH2 ARG 71 1HH2 ARG 71 -12.176 -10.232 -2.732 466 2HH2 ARG 71 2HH2 ARG 71 -12.478 -11.374 -3.999 467 H SER 72 H SER 72 -9.575 -7.464 -0.972 468 HA SER 72 HA SER 72 -11.178 -5.198 -0.789 469 1HB SER 72 1HB SER 72 -12.591 -6.602 0.694 470 2HB SER 72 2HB SER 72 -12.105 -7.471 -0.773 471 HG SER 72 HG SER 72 -11.920 -8.695 1.282 472 H PHE 73 H PHE 73 -11.172 -3.523 0.679 473 HA PHE 73 HA PHE 73 -10.165 -4.012 3.344 474 1HB PHE 73 1HB PHE 73 -8.637 -2.833 1.184 475 2HB PHE 73 2HB PHE 73 -9.042 -1.526 2.301 476 HD1 PHE 73 1HD PHE 73 -6.285 -2.767 1.608 477 HD2 PHE 73 2HD PHE 73 -9.019 -3.379 4.795 478 HE1 PHE 73 1HE PHE 73 -4.391 -3.474 3.096 479 HE2 PHE 73 2HE PHE 73 -7.125 -4.087 6.283 480 HZ PHE 73 HZ PHE 73 -4.834 -4.125 5.416 481 H GLU 74 H GLU 74 -10.561 -2.085 4.794 482 HA GLU 74 HA GLU 74 -12.991 -0.791 3.880 483 1HB GLU 74 1HB GLU 74 -13.405 -0.348 6.277 484 2HB GLU 74 2HB GLU 74 -13.156 -2.076 5.974 485 1HG GLU 74 1HG GLU 74 -10.581 -1.059 6.468 486 2HG GLU 74 2HG GLU 74 -11.607 -0.219 7.639 487 HE2 GLU 74 HE2 GLU 74 -10.655 -3.900 8.350 488 H GLY 75 H GLY 75 -11.333 0.546 2.504 489 1HA GLY 75 1HA GLY 75 -9.470 2.267 3.356 490 2HA GLY 75 2HA GLY 75 -10.660 2.681 2.138 491 H PHE 76 H PHE 76 -9.486 4.595 3.929 492 HA PHE 76 HA PHE 76 -11.922 5.455 5.281 493 1HB PHE 76 1HB PHE 76 -10.281 4.286 6.868 494 2HB PHE 76 2HB PHE 76 -9.067 5.494 6.431 495 HD1 PHE 76 1HD PHE 76 -12.158 4.857 8.282 496 HD2 PHE 76 2HD PHE 76 -9.241 7.766 7.264 497 HE1 PHE 76 1HE PHE 76 -13.009 6.350 10.111 498 HE2 PHE 76 2HE PHE 76 -10.093 9.260 9.094 499 HZ PHE 76 HZ PHE 76 -11.966 8.534 10.495 500 H LEU 77 H LEU 77 -12.270 7.682 5.197 501 HA LEU 77 HA LEU 77 -11.305 9.169 3.207 502 1HB LEU 77 1HB LEU 77 -12.379 9.818 5.901 503 2HB LEU 77 2HB LEU 77 -11.720 11.142 4.921 504 HG LEU 77 HG LEU 77 -14.187 10.845 4.757 505 1HD1 LEU 77 1HD1 LEU 77 -12.685 11.844 2.949 506 2HD1 LEU 77 2HD1 LEU 77 -12.907 10.307 2.078 507 3HD1 LEU 77 3HD1 LEU 77 -14.317 11.323 2.463 508 1HD2 LEU 77 1HD2 LEU 77 -14.967 8.941 3.262 509 2HD2 LEU 77 2HD2 LEU 77 -13.395 8.175 3.590 510 3HD2 LEU 77 3HD2 LEU 77 -14.514 8.518 4.930 511 H PHE 78 H PHE 78 -9.984 9.426 6.588 512 HA PHE 78 HA PHE 78 -7.399 9.086 6.179 513 1HB PHE 78 1HB PHE 78 -8.414 11.510 4.796 514 2HB PHE 78 2HB PHE 78 -7.080 11.891 5.890 515 HD1 PHE 78 1HD PHE 78 -7.235 8.622 4.277 516 HD2 PHE 78 2HD PHE 78 -5.681 12.562 4.005 517 HE1 PHE 78 1HE PHE 78 -5.602 7.858 2.530 518 HE2 PHE 78 2HE PHE 78 -4.049 11.797 2.257 519 HZ PHE 78 HZ PHE 78 -4.029 9.455 1.542 520 H ASP 79 H ASP 79 -9.959 11.095 7.539 521 HA ASP 79 HA ASP 79 -9.173 10.713 10.105 522 1HB ASP 79 1HB ASP 79 -7.342 12.415 9.039 523 2HB ASP 79 2HB ASP 79 -8.558 13.596 9.552 524 HD2 ASP 79 HD2 ASP 79 -7.874 11.981 12.891 525 H GLY 80 H GLY 80 -11.593 10.651 8.790 526 1HA GLY 80 1HA GLY 80 -13.094 12.756 10.116 527 2HA GLY 80 2HA GLY 80 -13.185 12.753 8.366 528 H THR 81 H THR 81 -13.195 10.069 7.666 529 HA THR 81 HA THR 81 -14.942 8.531 9.297 530 HB THR 81 HB THR 81 -16.065 10.409 7.267 531 HG1 THR 81 1HG THR 81 -17.529 10.405 8.960 532 1HG2 THR 81 1HG2 THR 81 -17.259 7.616 7.596 533 2HG2 THR 81 2HG2 THR 81 -17.816 8.917 6.516 534 3HG2 THR 81 3HG2 THR 81 -16.287 8.070 6.175 535 H ARG 82 H ARG 82 -15.732 6.532 8.012 536 HA ARG 82 HA ARG 82 -13.396 5.598 6.677 537 1HB ARG 82 1HB ARG 82 -16.028 4.120 7.101 538 2HB ARG 82 2HB ARG 82 -14.432 3.398 6.834 539 1HG ARG 82 1HG ARG 82 -14.239 3.294 9.081 540 2HG ARG 82 2HG ARG 82 -14.073 5.059 9.075 541 1HD ARG 82 1HD ARG 82 -16.110 5.325 10.029 542 2HD ARG 82 2HD ARG 82 -16.884 4.229 8.874 543 HE ARG 82 HE ARG 82 -15.477 2.536 10.559 544 1HH1 ARG 82 1HH1 ARG 82 -17.868 5.066 11.073 545 2HH1 ARG 82 2HH1 ARG 82 -18.508 4.346 12.512 546 1HH2 ARG 82 1HH2 ARG 82 -16.321 1.585 12.458 547 2HH2 ARG 82 2HH2 ARG 82 -17.622 2.353 13.305 548 H TRP 83 H TRP 83 -13.421 4.594 4.503 549 HA TRP 83 HA TRP 83 -15.528 5.758 2.818 550 1HB TRP 83 1HB TRP 83 -13.619 6.756 2.077 551 2HB TRP 83 2HB TRP 83 -12.594 5.370 2.452 552 HD1 TRP 83 HD TRP 83 -11.722 4.280 0.255 553 HE1 TRP 83 1HE TRP 83 -12.543 3.859 -2.218 554 HE3 TRP 83 3HE TRP 83 -16.264 6.494 0.828 555 HZ2 TRP 83 2HZ TRP 83 -14.946 4.485 -3.624 556 HZ3 TRP 83 3HZ TRP 83 -17.787 6.546 -1.145 557 HH2 TRP 83 HH TRP 83 -17.192 5.589 -3.313 558 H GLY 84 H GLY 84 -13.568 2.874 3.678 559 1HA GLY 84 1HA GLY 84 -13.818 0.689 3.211 560 2HA GLY 84 2HA GLY 84 -15.540 1.012 3.213 561 H THR 85 H THR 85 -12.595 0.849 1.177 562 HA THR 85 HA THR 85 -14.248 1.005 -1.231 563 HB THR 85 HB THR 85 -12.031 2.323 -0.804 564 HG1 THR 85 1HG THR 85 -12.549 0.463 -3.010 565 1HG2 THR 85 1HG2 THR 85 -11.043 -0.337 -0.441 566 2HG2 THR 85 2HG2 THR 85 -10.467 0.194 -2.039 567 3HG2 THR 85 3HG2 THR 85 -10.082 1.153 -0.590 568 H VAL 86 H VAL 86 -13.935 -1.313 0.900 569 HA VAL 86 HA VAL 86 -13.373 -3.528 0.833 570 HB VAL 86 HB VAL 86 -15.793 -3.044 0.275 571 1HG1 VAL 86 1HG1 VAL 86 -15.770 -4.239 -2.339 572 2HG1 VAL 86 2HG1 VAL 86 -16.428 -2.666 -1.828 573 3HG1 VAL 86 3HG1 VAL 86 -14.730 -2.794 -2.347 574 1HG2 VAL 86 1HG2 VAL 86 -14.290 -5.503 0.167 575 2HG2 VAL 86 2HG2 VAL 86 -15.930 -5.208 0.793 576 3HG2 VAL 86 3HG2 VAL 86 -15.691 -5.603 -0.927 577 H ASP 87 H ASP 87 -14.023 -4.970 -1.900 578 HA ASP 87 HA ASP 87 -11.631 -5.760 -2.591 579 1HB ASP 87 1HB ASP 87 -13.329 -4.977 -4.931 580 2HB ASP 87 2HB ASP 87 -12.574 -6.537 -4.571 581 HD2 ASP 87 HD2 ASP 87 -16.328 -6.206 -3.932 582 H CYS 88 H CYS 88 -9.921 -4.188 -2.475 583 HA CYS 88 HA CYS 88 -9.891 -1.653 -3.328 584 1HB CYS 88 1HB CYS 88 -7.822 -3.773 -3.164 585 2HB CYS 88 2HB CYS 88 -7.390 -2.272 -4.002 586 H THR 89 H THR 89 -9.798 -4.644 -5.276 587 HA THR 89 HA THR 89 -8.893 -3.694 -7.689 588 HB THR 89 HB THR 89 -9.435 -6.081 -7.046 589 HG1 THR 89 1HG THR 89 -10.146 -6.469 -9.239 590 1HG2 THR 89 1HG2 THR 89 -11.719 -6.889 -7.252 591 2HG2 THR 89 2HG2 THR 89 -11.771 -5.531 -6.103 592 3HG2 THR 89 3HG2 THR 89 -12.295 -5.292 -7.787 593 H THR 90 H THR 90 -11.851 -2.883 -5.995 594 HA THR 90 HA THR 90 -13.236 -1.985 -8.333 595 HB THR 90 HB THR 90 -13.602 -1.929 -5.325 596 HG1 THR 90 1HG THR 90 -15.288 -2.572 -7.636 597 1HG2 THR 90 1HG2 THR 90 -14.354 0.346 -6.188 598 2HG2 THR 90 2HG2 THR 90 -15.409 -0.501 -7.345 599 3HG2 THR 90 3HG2 THR 90 -15.695 -0.664 -5.595 600 H ALA 91 H ALA 91 -10.798 -0.658 -6.173 601 HA ALA 91 HA ALA 91 -11.036 1.859 -7.665 602 1HB ALA 91 1HB ALA 91 -10.338 1.594 -4.716 603 2HB ALA 91 2HB ALA 91 -10.559 3.099 -5.639 604 3HB ALA 91 3HB ALA 91 -11.951 2.035 -5.324 605 H ALA 92 H ALA 92 -9.401 -0.778 -7.802 606 HA ALA 92 HA ALA 92 -7.239 -1.433 -7.810 607 1HB ALA 92 1HB ALA 92 -7.532 -0.588 -10.023 608 2HB ALA 92 2HB ALA 92 -7.383 1.099 -9.479 609 3HB ALA 92 3HB ALA 92 -5.958 0.034 -9.474 610 H CYS 93 H CYS 93 -7.554 -0.486 -5.308 611 HA CYS 93 HA CYS 93 -6.191 1.748 -4.538 612 1HB CYS 93 1HB CYS 93 -6.384 0.996 -2.428 613 2HB CYS 93 2HB CYS 93 -7.574 -0.058 -3.214 614 H GLN 94 H GLN 94 -4.032 1.219 -2.933 615 HA GLN 94 HA GLN 94 -2.179 -0.295 -4.574 616 1HB GLN 94 1HB GLN 94 -0.494 1.627 -4.114 617 2HB GLN 94 2HB GLN 94 -1.694 1.860 -5.399 618 1HG GLN 94 1HG GLN 94 -2.135 2.791 -2.537 619 2HG GLN 94 2HG GLN 94 -1.359 3.818 -3.754 620 1HE2 GLN 94 1HE2 GLN 94 -3.595 4.694 -2.565 621 2HE2 GLN 94 2HE2 GLN 94 -4.956 4.664 -3.636 622 H VAL 95 H VAL 95 -0.100 -0.792 -3.371 623 HA VAL 95 HA VAL 95 -0.459 -0.616 -0.470 624 HB VAL 95 HB VAL 95 -1.288 -2.787 -1.196 625 1HG1 VAL 95 1HG1 VAL 95 -0.393 -3.866 -2.928 626 2HG1 VAL 95 2HG1 VAL 95 0.914 -2.662 -3.022 627 3HG1 VAL 95 3HG1 VAL 95 1.107 -4.107 -2.002 628 1HG2 VAL 95 1HG2 VAL 95 -0.429 -3.735 0.639 629 2HG2 VAL 95 2HG2 VAL 95 1.213 -3.760 -0.048 630 3HG2 VAL 95 3HG2 VAL 95 0.616 -2.301 0.778 631 H GLY 96 H GLY 96 1.147 0.893 -0.108 632 1HA GLY 96 1HA GLY 96 3.826 0.200 -1.159 633 2HA GLY 96 2HA GLY 96 3.246 1.837 -0.926 634 H LEU 97 H LEU 97 5.324 1.939 0.409 635 HA LEU 97 HA LEU 97 4.919 0.759 3.060 636 1HB LEU 97 1HB LEU 97 7.215 1.233 1.346 637 2HB LEU 97 2HB LEU 97 7.456 1.850 2.990 638 HG LEU 97 HG LEU 97 7.125 -0.322 3.929 639 1HD1 LEU 97 1HD1 LEU 97 5.453 -1.459 2.900 640 2HD1 LEU 97 2HD1 LEU 97 5.952 -0.951 1.269 641 3HD1 LEU 97 3HD1 LEU 97 6.832 -2.253 2.104 642 1HD2 LEU 97 1HD2 LEU 97 9.324 0.297 2.700 643 2HD2 LEU 97 2HD2 LEU 97 9.062 -1.384 3.223 644 3HD2 LEU 97 3HD2 LEU 97 8.816 -0.932 1.518 645 H SER 98 H SER 98 5.556 2.176 4.946 646 HA SER 98 HA SER 98 5.476 4.978 4.440 647 1HB SER 98 1HB SER 98 3.131 4.750 4.384 648 2HB SER 98 2HB SER 98 3.115 3.521 5.661 649 HG SER 98 HG SER 98 2.818 5.112 7.048 650 H ASP 99 H ASP 99 6.922 5.835 5.889 651 HA ASP 99 HA ASP 99 7.474 4.243 8.244 652 1HB ASP 99 1HB ASP 99 9.193 6.532 8.038 653 2HB ASP 99 2HB ASP 99 9.622 4.828 7.829 654 HD2 ASP 99 HD2 ASP 99 10.484 5.694 4.633 655 H ALA 100 H ALA 100 8.326 5.940 10.151 656 HA ALA 100 HA ALA 100 6.049 7.732 10.554 657 1HB ALA 100 1HB ALA 100 7.954 6.219 12.339 658 2HB ALA 100 2HB ALA 100 7.112 7.657 12.963 659 3HB ALA 100 3HB ALA 100 6.174 6.267 12.366 660 H ALA 101 H ALA 101 7.754 8.744 8.669 661 HA ALA 101 HA ALA 101 8.362 11.219 9.486 662 1HB ALA 101 1HB ALA 101 10.498 9.281 10.316 663 2HB ALA 101 2HB ALA 101 11.001 10.869 9.691 664 3HB ALA 101 3HB ALA 101 9.936 10.770 11.114 665 H GLY 102 H GLY 102 9.028 8.370 7.562 666 1HA GLY 102 1HA GLY 102 10.535 9.696 5.515 667 2HA GLY 102 2HA GLY 102 9.831 8.092 5.462 668 H ASN 103 H ASN 103 7.230 8.166 5.503 669 HA ASN 103 HA ASN 103 6.067 10.429 4.328 670 1HB ASN 103 1HB ASN 103 7.462 9.104 2.444 671 2HB ASN 103 2HB ASN 103 6.015 8.087 2.418 672 1HD2 ASN 103 1HD2 ASN 103 5.094 8.641 0.560 673 2HD2 ASN 103 2HD2 ASN 103 4.576 10.232 0.112 674 H GLY 104 H GLY 104 3.944 9.011 2.900 675 1HA GLY 104 1HA GLY 104 2.935 7.087 4.890 676 2HA GLY 104 2HA GLY 104 1.981 8.496 4.473 677 HA PRO 105 HA PRO 105 0.475 6.305 1.046 678 1HB PRO 105 1HB PRO 105 -0.448 8.340 -0.525 679 2HB PRO 105 2HB PRO 105 -1.343 7.704 0.853 680 1HG PRO 105 1HG PRO 105 0.221 10.191 0.592 681 2HG PRO 105 2HG PRO 105 -1.057 9.791 1.795 682 1HD PRO 105 1HD PRO 105 1.779 9.874 2.174 683 2HD PRO 105 2HD PRO 105 0.576 9.319 3.342 684 H GLU 106 H GLU 106 0.316 6.958 -1.656 685 HA GLU 106 HA GLU 106 1.574 7.331 -3.453 686 1HB GLU 106 1HB GLU 106 3.190 8.604 -1.782 687 2HB GLU 106 2HB GLU 106 4.203 7.165 -1.986 688 1HG GLU 106 1HG GLU 106 4.987 8.488 -3.724 689 2HG GLU 106 2HG GLU 106 3.716 7.595 -4.573 690 HE2 GLU 106 HE2 GLU 106 3.374 11.488 -4.111 691 H GLY 107 H GLY 107 0.664 4.840 -2.259 692 1HA GLY 107 1HA GLY 107 2.731 2.869 -2.465 693 2HA GLY 107 2HA GLY 107 1.007 2.602 -2.295 694 H VAL 108 H VAL 108 1.846 0.815 -3.933 695 HA VAL 108 HA VAL 108 1.831 1.917 -6.645 696 HB VAL 108 HB VAL 108 3.688 0.417 -5.808 697 1HG1 VAL 108 1HG1 VAL 108 1.940 -1.949 -6.318 698 2HG1 VAL 108 2HG1 VAL 108 3.367 -1.780 -5.268 699 3HG1 VAL 108 3HG1 VAL 108 1.793 -1.140 -4.740 700 1HG2 VAL 108 1HG2 VAL 108 2.919 -1.184 -8.024 701 2HG2 VAL 108 2HG2 VAL 108 2.278 0.451 -8.313 702 3HG2 VAL 108 3HG2 VAL 108 4.015 0.217 -8.005 703 H ALA 109 H ALA 109 0.041 1.733 -7.900 704 HA ALA 109 HA ALA 109 -2.310 0.617 -6.788 705 1HB ALA 109 1HB ALA 109 -2.064 1.217 -9.714 706 2HB ALA 109 2HB ALA 109 -3.356 1.644 -8.567 707 3HB ALA 109 3HB ALA 109 -1.828 2.557 -8.568 708 H ILE 110 H ILE 110 -2.590 -1.547 -6.541 709 HA ILE 110 HA ILE 110 -1.545 -3.262 -8.680 710 HB ILE 110 HB ILE 110 -1.949 -3.654 -5.736 711 1HG1 ILE 110 1HG1 ILE 110 0.398 -4.754 -7.110 712 2HG1 ILE 110 2HG1 ILE 110 0.248 -2.993 -7.241 713 1HG2 ILE 110 1HG2 ILE 110 -2.488 -5.620 -7.796 714 2HG2 ILE 110 2HG2 ILE 110 -1.130 -6.121 -6.759 715 3HG2 ILE 110 3HG2 ILE 110 -2.705 -5.722 -6.032 716 1HD1 ILE 110 1HD1 ILE 110 1.537 -3.566 -5.235 717 2HD1 ILE 110 2HD1 ILE 110 -0.033 -2.885 -4.744 718 3HD1 ILE 110 3HD1 ILE 110 0.235 -4.643 -4.672 719 H SER 111 H SER 111 -2.911 -4.689 -9.758 720 HA SER 111 HA SER 111 -5.719 -4.139 -9.290 721 1HB SER 111 1HB SER 111 -4.157 -4.313 -11.615 722 2HB SER 111 2HB SER 111 -5.120 -5.800 -11.628 723 HG SER 111 HG SER 111 -6.642 -4.525 -12.439 724 H PHE 112 H PHE 112 -6.382 -5.544 -7.644 725 HA PHE 112 HA PHE 112 -5.410 -8.215 -7.521 726 1HB PHE 112 1HB PHE 112 -7.917 -7.015 -6.238 727 2HB PHE 112 2HB PHE 112 -6.881 -8.277 -5.565 728 HD1 PHE 112 1HD PHE 112 -7.171 -4.668 -6.238 729 HD2 PHE 112 2HD PHE 112 -4.911 -7.713 -4.333 730 HE1 PHE 112 1HE PHE 112 -5.900 -2.924 -4.956 731 HE2 PHE 112 2HE PHE 112 -3.641 -5.969 -3.051 732 HZ PHE 112 HZ PHE 112 -4.151 -3.595 -3.378 733 H ASN 113 H ASN 113 -6.210 -10.033 -8.478 734 HA ASN 113 HA ASN 113 -8.206 -9.797 -10.390 735 1HB ASN 113 1HB ASN 113 -6.293 -11.559 -10.123 736 2HB ASN 113 2HB ASN 113 -7.413 -12.426 -9.064 737 1HD2 ASN 113 1HD2 ASN 113 -6.462 -11.695 -12.246 738 2HD2 ASN 113 2HD2 ASN 113 -7.709 -12.525 -13.117 Start of MODEL 28 1 H ALA 1 H ALA 1 12.429 3.222 -9.266 2 HA ALA 1 HA ALA 1 12.501 6.038 -10.065 3 1HB ALA 1 1HB ALA 1 10.488 6.533 -8.897 4 2HB ALA 1 2HB ALA 1 10.119 5.094 -9.877 5 3HB ALA 1 3HB ALA 1 10.442 4.923 -8.136 6 H ALA 2 H ALA 2 11.748 4.283 -6.988 7 HA ALA 2 HA ALA 2 13.494 3.843 -5.420 8 1HB ALA 2 1HB ALA 2 15.181 5.106 -6.786 9 2HB ALA 2 2HB ALA 2 14.490 6.623 -6.160 10 3HB ALA 2 3HB ALA 2 15.259 5.469 -5.045 11 HA PRO 3 HA PRO 3 11.412 7.543 -3.312 12 1HB PRO 3 1HB PRO 3 9.911 9.266 -4.809 13 2HB PRO 3 2HB PRO 3 11.583 9.586 -4.358 14 1HG PRO 3 1HG PRO 3 10.450 8.702 -6.933 15 2HG PRO 3 2HG PRO 3 12.043 9.478 -6.615 16 1HD PRO 3 1HD PRO 3 11.485 6.728 -7.191 17 2HD PRO 3 2HD PRO 3 13.050 7.414 -6.728 18 H THR 4 H THR 4 10.498 4.965 -4.136 19 HA THR 4 HA THR 4 7.979 5.021 -2.945 20 HB THR 4 HB THR 4 7.116 4.229 -5.536 21 HG1 THR 4 1HG THR 4 7.909 5.977 -6.807 22 1HG2 THR 4 1HG2 THR 4 6.135 5.846 -3.547 23 2HG2 THR 4 2HG2 THR 4 6.662 7.077 -4.719 24 3HG2 THR 4 3HG2 THR 4 5.478 5.838 -5.202 25 H ALA 5 H ALA 5 6.795 2.819 -3.351 26 HA ALA 5 HA ALA 5 8.925 0.801 -3.548 27 1HB ALA 5 1HB ALA 5 6.638 -0.185 -2.144 28 2HB ALA 5 2HB ALA 5 8.267 0.142 -1.505 29 3HB ALA 5 3HB ALA 5 7.028 1.420 -1.479 30 H THR 6 H THR 6 8.076 -1.410 -4.260 31 HA THR 6 HA THR 6 5.685 -1.304 -5.893 32 HB THR 6 HB THR 6 6.803 -1.645 -7.982 33 HG1 THR 6 1HG THR 6 8.902 -2.511 -7.957 34 1HG2 THR 6 1HG2 THR 6 8.544 0.114 -8.172 35 2HG2 THR 6 2HG2 THR 6 7.185 0.719 -7.194 36 3HG2 THR 6 3HG2 THR 6 8.686 0.184 -6.399 37 H VAL 7 H VAL 7 5.007 -3.428 -6.652 38 HA VAL 7 HA VAL 7 6.251 -5.549 -5.039 39 HB VAL 7 HB VAL 7 3.952 -4.643 -4.356 40 1HG1 VAL 7 1HG1 VAL 7 2.587 -4.435 -6.167 41 2HG1 VAL 7 2HG1 VAL 7 3.356 -5.779 -7.045 42 3HG1 VAL 7 3HG1 VAL 7 2.185 -6.118 -5.748 43 1HG2 VAL 7 1HG2 VAL 7 4.467 -6.573 -3.240 44 2HG2 VAL 7 2HG2 VAL 7 3.102 -7.169 -4.215 45 3HG2 VAL 7 3HG2 VAL 7 4.774 -7.491 -4.734 46 H THR 8 H THR 8 6.455 -7.619 -6.022 47 HA THR 8 HA THR 8 7.285 -7.786 -8.549 48 HB THR 8 HB THR 8 6.175 -9.622 -6.511 49 HG1 THR 8 1HG THR 8 8.136 -10.696 -7.300 50 1HG2 THR 8 1HG2 THR 8 6.298 -10.538 -9.430 51 2HG2 THR 8 2HG2 THR 8 5.930 -11.548 -8.011 52 3HG2 THR 8 3HG2 THR 8 4.777 -10.298 -8.538 53 HA PRO 9 HA PRO 9 2.960 -8.422 -10.270 54 1HB PRO 9 1HB PRO 9 0.766 -8.115 -8.671 55 2HB PRO 9 2HB PRO 9 1.498 -9.681 -9.013 56 1HG PRO 9 1HG PRO 9 1.659 -7.999 -6.594 57 2HG PRO 9 2HG PRO 9 1.988 -9.762 -6.760 58 1HD PRO 9 1HD PRO 9 3.868 -7.619 -6.495 59 2HD PRO 9 2HD PRO 9 4.242 -9.316 -6.817 60 H SER 10 H SER 10 0.529 -6.970 -10.090 61 HA SER 10 HA SER 10 0.903 -4.365 -9.396 62 1HB SER 10 1HB SER 10 2.587 -3.878 -10.909 63 2HB SER 10 2HB SER 10 2.010 -5.045 -12.111 64 HG SER 10 HG SER 10 0.443 -2.727 -11.456 65 H SER 11 H SER 11 -0.438 -6.833 -11.555 66 HA SER 11 HA SER 11 -3.024 -5.685 -11.173 67 1HB SER 11 1HB SER 11 -3.608 -5.567 -13.548 68 2HB SER 11 2HB SER 11 -2.235 -4.496 -13.212 69 HG SER 11 HG SER 11 -2.150 -7.137 -14.402 70 H GLY 12 H GLY 12 -4.750 -7.251 -11.692 71 1HA GLY 12 1HA GLY 12 -5.614 -9.311 -12.071 72 2HA GLY 12 2HA GLY 12 -4.077 -9.838 -12.729 73 H LEU 13 H LEU 13 -4.092 -8.280 -9.557 74 HA LEU 13 HA LEU 13 -3.037 -10.657 -8.379 75 1HB LEU 13 1HB LEU 13 -3.841 -8.102 -7.013 76 2HB LEU 13 2HB LEU 13 -2.679 -9.319 -6.453 77 HG LEU 13 HG LEU 13 -1.545 -8.581 -8.809 78 1HD1 LEU 13 1HD1 LEU 13 -1.699 -5.912 -8.423 79 2HD1 LEU 13 2HD1 LEU 13 -2.691 -6.807 -9.600 80 3HD1 LEU 13 3HD1 LEU 13 -3.363 -6.387 -8.006 81 1HD2 LEU 13 1HD2 LEU 13 -1.197 -7.550 -6.004 82 2HD2 LEU 13 2HD2 LEU 13 -0.199 -8.705 -6.918 83 3HD2 LEU 13 3HD2 LEU 13 -0.163 -6.974 -7.332 84 H SER 14 H SER 14 -4.341 -10.112 -5.718 85 HA SER 14 HA SER 14 -7.096 -10.648 -6.176 86 1HB SER 14 1HB SER 14 -5.610 -12.867 -6.412 87 2HB SER 14 2HB SER 14 -5.729 -12.843 -4.643 88 HG SER 14 HG SER 14 -7.930 -13.108 -4.756 89 H ASP 15 H ASP 15 -8.289 -10.843 -4.034 90 HA ASP 15 HA ASP 15 -7.488 -8.897 -2.311 91 1HB ASP 15 1HB ASP 15 -9.779 -9.734 -2.407 92 2HB ASP 15 2HB ASP 15 -9.270 -11.330 -1.836 93 HD2 ASP 15 HD2 ASP 15 -9.058 -8.538 0.978 94 H GLY 16 H GLY 16 -5.363 -9.097 -1.439 95 1HA GLY 16 1HA GLY 16 -4.120 -9.739 0.427 96 2HA GLY 16 2HA GLY 16 -5.000 -11.252 0.516 97 H THR 17 H THR 17 -3.563 -9.800 -2.454 98 HA THR 17 HA THR 17 -2.269 -12.251 -3.094 99 HB THR 17 HB THR 17 -2.719 -9.538 -4.263 100 HG1 THR 17 1HG THR 17 -2.789 -11.251 -6.118 101 1HG2 THR 17 1HG2 THR 17 -1.018 -10.379 -6.136 102 2HG2 THR 17 2HG2 THR 17 -0.411 -9.409 -4.772 103 3HG2 THR 17 3HG2 THR 17 -0.215 -11.178 -4.762 104 H VAL 18 H VAL 18 -0.979 -12.718 -1.224 105 HA VAL 18 HA VAL 18 1.040 -10.897 -0.414 106 HB VAL 18 HB VAL 18 0.953 -13.874 0.060 107 1HG1 VAL 18 1HG1 VAL 18 1.781 -12.885 2.376 108 2HG1 VAL 18 2HG1 VAL 18 2.910 -13.147 1.025 109 3HG1 VAL 18 3HG1 VAL 18 2.277 -11.517 1.352 110 1HG2 VAL 18 1HG2 VAL 18 -1.022 -11.878 0.808 111 2HG2 VAL 18 2HG2 VAL 18 -1.053 -13.645 1.016 112 3HG2 VAL 18 3HG2 VAL 18 -0.274 -12.618 2.243 113 H VAL 19 H VAL 19 2.803 -10.361 -1.585 114 HA VAL 19 HA VAL 19 4.207 -12.505 -2.958 115 HB VAL 19 HB VAL 19 4.457 -10.731 -4.881 116 1HG1 VAL 19 1HG1 VAL 19 3.651 -12.902 -5.367 117 2HG1 VAL 19 2HG1 VAL 19 2.147 -12.639 -4.453 118 3HG1 VAL 19 3HG1 VAL 19 2.414 -11.786 -5.992 119 1HG2 VAL 19 1HG2 VAL 19 1.641 -10.072 -4.639 120 2HG2 VAL 19 2HG2 VAL 19 2.570 -9.425 -3.265 121 3HG2 VAL 19 3HG2 VAL 19 3.037 -9.007 -4.931 122 H LYS 20 H LYS 20 6.306 -11.254 -4.037 123 HA LYS 20 HA LYS 20 7.611 -10.174 -1.723 124 1HB LYS 20 1HB LYS 20 8.360 -11.653 -3.966 125 2HB LYS 20 2HB LYS 20 9.157 -10.083 -4.178 126 1HG LYS 20 1HG LYS 20 10.243 -10.257 -2.042 127 2HG LYS 20 2HG LYS 20 9.239 -11.634 -1.556 128 1HD LYS 20 1HD LYS 20 11.330 -12.576 -2.173 129 2HD LYS 20 2HD LYS 20 10.281 -12.884 -3.569 130 1HE LYS 20 1HE LYS 20 11.713 -11.756 -4.892 131 2HE LYS 20 2HE LYS 20 11.504 -10.295 -3.912 132 1HZ LYS 20 1HZ LYS 20 13.738 -10.817 -3.788 133 2HZ LYS 20 2HZ LYS 20 13.153 -11.397 -2.379 134 3HZ LYS 20 3HZ LYS 20 13.489 -12.421 -3.606 135 H VAL 21 H VAL 21 8.532 -8.077 -1.511 136 HA VAL 21 HA VAL 21 7.742 -6.146 -3.551 137 HB VAL 21 HB VAL 21 6.076 -6.435 -1.551 138 1HG1 VAL 21 1HG1 VAL 21 7.544 -4.306 -0.150 139 2HG1 VAL 21 2HG1 VAL 21 6.664 -5.711 0.496 140 3HG1 VAL 21 3HG1 VAL 21 8.339 -5.897 -0.075 141 1HG2 VAL 21 1HG2 VAL 21 5.842 -4.737 -3.268 142 2HG2 VAL 21 2HG2 VAL 21 5.554 -4.007 -1.669 143 3HG2 VAL 21 3HG2 VAL 21 7.103 -3.741 -2.504 144 H ALA 22 H ALA 22 9.129 -4.315 -3.662 145 HA ALA 22 HA ALA 22 11.297 -4.183 -1.740 146 1HB ALA 22 1HB ALA 22 12.134 -4.202 -4.609 147 2HB ALA 22 2HB ALA 22 13.003 -4.762 -3.160 148 3HB ALA 22 3HB ALA 22 11.724 -5.772 -3.876 149 H GLY 23 H GLY 23 12.487 -2.127 -1.913 150 1HA GLY 23 1HA GLY 23 12.762 0.039 -2.634 151 2HA GLY 23 2HA GLY 23 11.404 -0.130 -3.729 152 H ALA 24 H ALA 24 11.167 2.169 -2.585 153 HA ALA 24 HA ALA 24 8.868 2.423 -1.360 154 1HB ALA 24 1HB ALA 24 10.900 1.527 0.702 155 2HB ALA 24 2HB ALA 24 9.479 2.502 1.149 156 3HB ALA 24 3HB ALA 24 9.260 0.898 0.409 157 H GLY 25 H GLY 25 10.139 3.981 1.098 158 1HA GLY 25 1HA GLY 25 10.434 6.446 -0.332 159 2HA GLY 25 2HA GLY 25 10.553 6.187 1.397 160 H LEU 26 H LEU 26 12.533 3.880 -0.092 161 HA LEU 26 HA LEU 26 14.739 3.620 -0.016 162 1HB LEU 26 1HB LEU 26 14.550 4.501 -2.185 163 2HB LEU 26 2HB LEU 26 14.445 6.170 -1.593 164 HG LEU 26 HG LEU 26 16.873 5.543 -0.647 165 1HD1 LEU 26 1HD1 LEU 26 16.963 4.041 -3.243 166 2HD1 LEU 26 2HD1 LEU 26 18.088 4.006 -1.864 167 3HD1 LEU 26 3HD1 LEU 26 16.506 3.201 -1.742 168 1HD2 LEU 26 1HD2 LEU 26 16.206 7.427 -2.151 169 2HD2 LEU 26 2HD2 LEU 26 17.814 6.745 -2.489 170 3HD2 LEU 26 3HD2 LEU 26 16.435 6.334 -3.537 171 H GLN 27 H GLN 27 14.405 3.974 2.431 172 HA GLN 27 HA GLN 27 15.411 6.480 3.368 173 1HB GLN 27 1HB GLN 27 13.634 5.407 4.618 174 2HB GLN 27 2HB GLN 27 14.582 3.922 4.804 175 1HG GLN 27 1HG GLN 27 14.557 5.415 6.841 176 2HG GLN 27 2HG GLN 27 16.184 5.055 6.240 177 1HE2 GLN 27 1HE2 GLN 27 14.115 7.411 7.293 178 2HE2 GLN 27 2HE2 GLN 27 14.882 8.830 6.658 179 H ALA 28 H ALA 28 16.395 3.476 4.979 180 HA ALA 28 HA ALA 28 18.760 2.842 3.897 181 1HB ALA 28 1HB ALA 28 20.049 4.691 3.985 182 2HB ALA 28 2HB ALA 28 18.879 5.546 5.020 183 3HB ALA 28 3HB ALA 28 20.086 4.460 5.750 184 H GLY 29 H GLY 29 18.056 0.892 4.870 185 1HA GLY 29 1HA GLY 29 17.726 -0.611 6.521 186 2HA GLY 29 2HA GLY 29 19.167 0.106 7.215 187 H THR 30 H THR 30 15.793 1.385 6.760 188 HA THR 30 HA THR 30 15.634 1.658 9.685 189 HB THR 30 HB THR 30 15.551 3.719 7.533 190 HG1 THR 30 1HG THR 30 17.017 3.607 9.411 191 1HG2 THR 30 1HG2 THR 30 13.137 3.735 8.106 192 2HG2 THR 30 2HG2 THR 30 13.534 3.695 9.841 193 3HG2 THR 30 3HG2 THR 30 13.941 5.128 8.867 194 H ALA 31 H ALA 31 13.495 1.598 10.585 195 HA ALA 31 HA ALA 31 11.928 -0.410 9.567 196 1HB ALA 31 1HB ALA 31 11.403 -0.023 11.751 197 2HB ALA 31 2HB ALA 31 11.693 1.729 11.618 198 3HB ALA 31 3HB ALA 31 10.154 1.037 11.052 199 H TYR 32 H TYR 32 9.830 -0.423 8.513 200 HA TYR 32 HA TYR 32 9.051 2.050 7.199 201 1HB TYR 32 1HB TYR 32 10.441 -0.323 6.049 202 2HB TYR 32 2HB TYR 32 8.930 0.036 5.205 203 HD1 TYR 32 1HD TYR 32 8.773 2.894 5.060 204 HD2 TYR 32 2HD TYR 32 12.245 0.408 4.810 205 HE1 TYR 32 1HE TYR 32 9.972 4.692 3.720 206 HE2 TYR 32 2HE TYR 32 13.432 2.214 3.470 207 HH TYR 32 HH TYR 32 12.549 4.160 1.897 208 H ASP 33 H ASP 33 7.260 1.728 8.769 209 HA ASP 33 HA ASP 33 5.729 -0.514 8.889 210 1HB ASP 33 1HB ASP 33 5.643 1.774 10.180 211 2HB ASP 33 2HB ASP 33 4.485 2.253 8.930 212 HD2 ASP 33 HD2 ASP 33 3.248 -0.782 11.183 213 H VAL 34 H VAL 34 4.698 -1.561 7.179 214 HA VAL 34 HA VAL 34 4.305 -0.436 4.682 215 HB VAL 34 HB VAL 34 3.116 -2.802 6.118 216 1HG1 VAL 34 1HG1 VAL 34 2.078 -3.556 4.096 217 2HG1 VAL 34 2HG1 VAL 34 1.510 -1.897 4.399 218 3HG1 VAL 34 3HG1 VAL 34 2.760 -2.200 3.167 219 1HG2 VAL 34 1HG2 VAL 34 4.815 -4.007 5.240 220 2HG2 VAL 34 2HG2 VAL 34 4.777 -3.131 3.691 221 3HG2 VAL 34 3HG2 VAL 34 5.613 -2.423 5.093 222 H GLY 35 H GLY 35 2.253 0.076 3.555 223 1HA GLY 35 1HA GLY 35 0.010 0.822 5.259 224 2HA GLY 35 2HA GLY 35 0.860 2.139 4.474 225 H GLN 36 H GLN 36 -1.884 0.508 4.155 226 HA GLN 36 HA GLN 36 -1.631 0.334 1.253 227 1HB GLN 36 1HB GLN 36 -2.809 -1.506 3.236 228 2HB GLN 36 2HB GLN 36 -3.880 -1.169 1.865 229 1HG GLN 36 1HG GLN 36 -1.348 -1.554 0.710 230 2HG GLN 36 2HG GLN 36 -1.427 -2.780 1.981 231 1HE2 GLN 36 1HE2 GLN 36 -3.476 -1.288 -0.525 232 2HE2 GLN 36 2HE2 GLN 36 -4.216 -2.744 -1.100 233 H CYS 37 H CYS 37 -2.625 2.047 0.289 234 HA CYS 37 HA CYS 37 -5.152 2.921 1.476 235 1HB CYS 37 1HB CYS 37 -3.138 4.801 0.270 236 2HB CYS 37 2HB CYS 37 -4.632 5.216 1.128 237 H ALA 38 H ALA 38 -6.270 4.458 -0.330 238 HA ALA 38 HA ALA 38 -5.723 3.321 -2.975 239 1HB ALA 38 1HB ALA 38 -8.577 3.757 -2.337 240 2HB ALA 38 2HB ALA 38 -7.784 2.397 -3.171 241 3HB ALA 38 3HB ALA 38 -7.810 2.458 -1.392 242 H TRP 39 H TRP 39 -4.698 5.296 -3.568 243 HA TRP 39 HA TRP 39 -6.072 7.775 -3.154 244 1HB TRP 39 1HB TRP 39 -4.202 8.794 -4.015 245 2HB TRP 39 2HB TRP 39 -3.545 7.358 -3.228 246 HD1 TRP 39 HD TRP 39 -3.185 5.187 -5.150 247 HE1 TRP 39 1HE TRP 39 -2.096 5.260 -7.553 248 HE3 TRP 39 3HE TRP 39 -3.798 10.185 -5.851 249 HZ2 TRP 39 2HZ TRP 39 -1.624 7.352 -9.434 250 HZ3 TRP 39 3HZ TRP 39 -2.995 11.164 -7.998 251 HH2 TRP 39 HH TRP 39 -1.939 9.833 -9.756 252 H VAL 40 H VAL 40 -8.020 7.939 -4.244 253 HA VAL 40 HA VAL 40 -8.131 6.956 -6.982 254 HB VAL 40 HB VAL 40 -10.192 7.914 -4.996 255 1HG1 VAL 40 1HG1 VAL 40 -11.690 8.273 -6.610 256 2HG1 VAL 40 2HG1 VAL 40 -10.373 8.129 -7.800 257 3HG1 VAL 40 3HG1 VAL 40 -11.335 6.698 -7.359 258 1HG2 VAL 40 1HG2 VAL 40 -10.026 5.763 -4.368 259 2HG2 VAL 40 2HG2 VAL 40 -10.901 5.396 -5.873 260 3HG2 VAL 40 3HG2 VAL 40 -9.123 5.307 -5.833 261 H ASP 41 H ASP 41 -10.172 9.643 -6.021 262 HA ASP 41 HA ASP 41 -9.004 11.184 -8.121 263 1HB ASP 41 1HB ASP 41 -11.538 10.912 -7.274 264 2HB ASP 41 2HB ASP 41 -11.097 12.296 -6.260 265 HD2 ASP 41 HD2 ASP 41 -12.230 14.092 -8.981 266 H THR 42 H THR 42 -7.098 10.815 -6.094 267 HA THR 42 HA THR 42 -5.678 11.911 -4.782 268 HB THR 42 HB THR 42 -7.099 14.111 -6.276 269 HG1 THR 42 1HG THR 42 -4.375 13.172 -5.710 270 1HG2 THR 42 1HG2 THR 42 -5.284 15.648 -5.153 271 2HG2 THR 42 2HG2 THR 42 -6.805 15.375 -4.269 272 3HG2 THR 42 3HG2 THR 42 -5.339 14.473 -3.817 273 H GLY 43 H GLY 43 -8.529 14.086 -4.315 274 1HA GLY 43 1HA GLY 43 -8.231 14.144 -1.522 275 2HA GLY 43 2HA GLY 43 -9.634 14.652 -2.442 276 H VAL 44 H VAL 44 -9.370 11.635 -3.602 277 HA VAL 44 HA VAL 44 -11.017 10.528 -1.440 278 HB VAL 44 HB VAL 44 -10.939 9.598 -4.302 279 1HG1 VAL 44 1HG1 VAL 44 -12.584 9.063 -1.891 280 2HG1 VAL 44 2HG1 VAL 44 -13.476 9.220 -3.423 281 3HG1 VAL 44 3HG1 VAL 44 -12.181 8.008 -3.268 282 1HG2 VAL 44 1HG2 VAL 44 -12.828 11.696 -3.187 283 2HG2 VAL 44 2HG2 VAL 44 -11.427 12.052 -4.226 284 3HG2 VAL 44 3HG2 VAL 44 -12.772 11.066 -4.851 285 H LEU 45 H LEU 45 -8.536 10.325 -0.642 286 HA LEU 45 HA LEU 45 -7.442 7.838 -1.720 287 1HB LEU 45 1HB LEU 45 -5.803 9.449 -1.716 288 2HB LEU 45 2HB LEU 45 -6.317 10.140 -0.167 289 HG LEU 45 HG LEU 45 -5.510 7.453 0.309 290 1HD1 LEU 45 1HD1 LEU 45 -4.028 7.049 -1.316 291 2HD1 LEU 45 2HD1 LEU 45 -3.961 8.756 -1.817 292 3HD1 LEU 45 3HD1 LEU 45 -2.979 8.192 -0.444 293 1HD2 LEU 45 1HD2 LEU 45 -3.980 9.978 0.964 294 2HD2 LEU 45 2HD2 LEU 45 -5.449 9.463 1.828 295 3HD2 LEU 45 3HD2 LEU 45 -3.996 8.436 1.853 296 H ALA 46 H ALA 46 -8.636 6.179 -0.828 297 HA ALA 46 HA ALA 46 -9.404 6.292 1.933 298 1HB ALA 46 1HB ALA 46 -9.526 3.761 0.344 299 2HB ALA 46 2HB ALA 46 -10.749 4.508 1.400 300 3HB ALA 46 3HB ALA 46 -10.488 5.138 -0.243 301 H CYS 47 H CYS 47 -7.584 6.346 3.262 302 HA CYS 47 HA CYS 47 -5.445 4.501 2.753 303 1HB CYS 47 1HB CYS 47 -5.846 6.908 4.267 304 2HB CYS 47 2HB CYS 47 -5.113 5.662 5.292 305 H ASN 48 H ASN 48 -4.994 2.622 3.999 306 HA ASN 48 HA ASN 48 -7.198 1.850 5.738 307 1HB ASN 48 1HB ASN 48 -6.710 0.436 3.680 308 2HB ASN 48 2HB ASN 48 -5.131 0.045 4.377 309 1HD2 ASN 48 1HD2 ASN 48 -4.982 -1.293 6.139 310 2HD2 ASN 48 2HD2 ASN 48 -6.285 -2.276 6.718 311 HA PRO 49 HA PRO 49 -3.715 2.294 8.565 312 1HB PRO 49 1HB PRO 49 -5.178 3.032 10.751 313 2HB PRO 49 2HB PRO 49 -4.508 4.190 9.603 314 1HG PRO 49 1HG PRO 49 -7.277 3.223 9.923 315 2HG PRO 49 2HG PRO 49 -6.697 4.718 9.105 316 1HD PRO 49 1HD PRO 49 -7.626 2.283 7.918 317 2HD PRO 49 2HD PRO 49 -6.918 3.666 7.072 318 H ALA 50 H ALA 50 -4.862 -0.175 7.756 319 HA ALA 50 HA ALA 50 -4.706 -1.515 10.367 320 1HB ALA 50 1HB ALA 50 -6.786 -2.296 10.040 321 2HB ALA 50 2HB ALA 50 -6.884 -1.449 8.477 322 3HB ALA 50 3HB ALA 50 -6.227 -3.102 8.554 323 H ASP 51 H ASP 51 -3.211 -0.867 7.459 324 HA ASP 51 HA ASP 51 -2.515 -3.135 6.283 325 1HB ASP 51 1HB ASP 51 -0.128 -2.053 6.146 326 2HB ASP 51 2HB ASP 51 -1.499 -1.203 5.416 327 HD2 ASP 51 HD2 ASP 51 -1.083 1.500 7.479 328 H PHE 52 H PHE 52 -0.896 -1.692 9.216 329 HA PHE 52 HA PHE 52 0.176 -2.611 10.912 330 1HB PHE 52 1HB PHE 52 -1.673 -4.608 9.962 331 2HB PHE 52 2HB PHE 52 -0.161 -5.460 10.292 332 HD1 PHE 52 1HD PHE 52 -1.952 -2.655 11.997 333 HD2 PHE 52 2HD PHE 52 -0.311 -6.555 12.308 334 HE1 PHE 52 1HE PHE 52 -2.533 -2.704 14.439 335 HE2 PHE 52 2HE PHE 52 -0.890 -6.605 14.750 336 HZ PHE 52 HZ PHE 52 -1.994 -4.679 15.786 337 H SER 53 H SER 53 0.519 -4.731 7.979 338 HA SER 53 HA SER 53 2.787 -5.923 8.292 339 1HB SER 53 1HB SER 53 1.825 -4.300 5.936 340 2HB SER 53 2HB SER 53 3.371 -5.160 5.835 341 HG SER 53 HG SER 53 1.557 -6.419 5.029 342 H SER 54 H SER 54 5.098 -5.519 8.120 343 HA SER 54 HA SER 54 5.889 -2.752 8.044 344 1HB SER 54 1HB SER 54 7.341 -3.142 10.121 345 2HB SER 54 2HB SER 54 5.604 -2.927 10.403 346 HG SER 54 HG SER 54 5.659 -4.817 11.388 347 H VAL 55 H VAL 55 7.999 -2.497 7.197 348 HA VAL 55 HA VAL 55 9.547 -4.956 6.842 349 HB VAL 55 HB VAL 55 8.099 -4.344 4.832 350 1HG1 VAL 55 1HG1 VAL 55 8.951 -2.587 3.352 351 2HG1 VAL 55 2HG1 VAL 55 8.447 -1.909 4.919 352 3HG1 VAL 55 3HG1 VAL 55 10.176 -2.143 4.564 353 1HG2 VAL 55 1HG2 VAL 55 9.615 -5.344 3.437 354 2HG2 VAL 55 2HG2 VAL 55 10.967 -4.327 3.989 355 3HG2 VAL 55 3HG2 VAL 55 10.401 -5.679 4.998 356 H THR 56 H THR 56 11.805 -4.127 5.728 357 HA THR 56 HA THR 56 12.597 -1.684 7.159 358 HB THR 56 HB THR 56 13.669 -4.508 7.367 359 HG1 THR 56 1HG THR 56 13.502 -3.835 9.546 360 1HG2 THR 56 1HG2 THR 56 15.767 -3.570 6.840 361 2HG2 THR 56 2HG2 THR 56 15.276 -1.940 7.363 362 3HG2 THR 56 3HG2 THR 56 15.658 -3.186 8.574 363 H ALA 57 H ALA 57 14.370 -0.524 6.248 364 HA ALA 57 HA ALA 57 14.421 -0.803 3.386 365 1HB ALA 57 1HB ALA 57 14.401 1.336 4.991 366 2HB ALA 57 2HB ALA 57 16.164 1.125 4.883 367 3HB ALA 57 3HB ALA 57 15.205 1.367 3.404 368 H ASP 58 H ASP 58 16.595 -0.698 2.213 369 HA ASP 58 HA ASP 58 18.517 -2.329 3.677 370 1HB ASP 58 1HB ASP 58 19.091 -3.201 1.286 371 2HB ASP 58 2HB ASP 58 17.652 -3.845 2.089 372 HD2 ASP 58 HD2 ASP 58 16.132 -3.137 -0.918 373 H ALA 59 H ALA 59 20.468 -1.215 3.852 374 HA ALA 59 HA ALA 59 21.807 0.596 3.598 375 1HB ALA 59 1HB ALA 59 22.990 0.292 1.262 376 2HB ALA 59 2HB ALA 59 23.112 -0.989 2.493 377 3HB ALA 59 3HB ALA 59 21.957 -1.154 1.148 378 H ASN 60 H ASN 60 20.984 0.516 0.118 379 HA ASN 60 HA ASN 60 20.911 3.090 -0.346 380 1HB ASN 60 1HB ASN 60 19.695 0.742 -1.531 381 2HB ASN 60 2HB ASN 60 18.567 2.096 -1.691 382 1HD2 ASN 60 1HD2 ASN 60 19.184 1.473 -3.990 383 2HD2 ASN 60 2HD2 ASN 60 20.486 2.351 -4.721 384 H GLY 61 H GLY 61 18.210 1.128 1.059 385 1HA GLY 61 1HA GLY 61 16.984 2.287 2.860 386 2HA GLY 61 2HA GLY 61 16.831 3.650 1.769 387 H SER 62 H SER 62 16.743 0.766 -0.052 388 HA SER 62 HA SER 62 13.938 1.124 -0.456 389 1HB SER 62 1HB SER 62 16.178 -0.312 -1.802 390 2HB SER 62 2HB SER 62 14.564 -1.007 -2.030 391 HG SER 62 HG SER 62 15.167 0.589 -3.669 392 H ALA 63 H ALA 63 12.298 -0.482 -0.072 393 HA ALA 63 HA ALA 63 12.869 -2.166 2.170 394 1HB ALA 63 1HB ALA 63 10.606 -2.144 2.442 395 2HB ALA 63 2HB ALA 63 10.679 -0.793 1.287 396 3HB ALA 63 3HB ALA 63 10.292 -2.433 0.715 397 H SER 64 H SER 64 11.955 -4.530 2.081 398 HA SER 64 HA SER 64 11.984 -5.825 -0.391 399 1HB SER 64 1HB SER 64 14.081 -7.199 0.036 400 2HB SER 64 2HB SER 64 14.364 -5.520 -0.451 401 HG SER 64 HG SER 64 14.419 -5.156 2.019 402 H THR 65 H THR 65 10.235 -7.076 0.243 403 HA THR 65 HA THR 65 10.576 -9.310 1.821 404 HB THR 65 HB THR 65 10.567 -7.081 3.474 405 HG1 THR 65 1HG THR 65 9.301 -9.663 4.023 406 1HG2 THR 65 1HG2 THR 65 8.437 -6.949 4.588 407 2HG2 THR 65 2HG2 THR 65 8.046 -6.820 2.857 408 3HG2 THR 65 3HG2 THR 65 7.808 -8.364 3.711 409 H SER 66 H SER 66 8.347 -10.298 2.458 410 HA SER 66 HA SER 66 6.737 -9.922 0.115 411 1HB SER 66 1HB SER 66 5.521 -11.929 0.956 412 2HB SER 66 2HB SER 66 7.265 -12.205 0.809 413 HG SER 66 HG SER 66 5.656 -12.424 3.009 414 H LEU 67 H LEU 67 4.860 -8.727 0.061 415 HA LEU 67 HA LEU 67 3.743 -7.948 2.665 416 1HB LEU 67 1HB LEU 67 4.333 -6.479 0.184 417 2HB LEU 67 2HB LEU 67 2.775 -6.105 0.941 418 HG LEU 67 HG LEU 67 5.537 -5.828 2.148 419 1HD1 LEU 67 1HD1 LEU 67 5.391 -3.601 1.805 420 2HD1 LEU 67 2HD1 LEU 67 4.304 -4.104 0.488 421 3HD1 LEU 67 3HD1 LEU 67 3.628 -3.561 2.042 422 1HD2 LEU 67 1HD2 LEU 67 3.084 -6.366 3.495 423 2HD2 LEU 67 2HD2 LEU 67 4.682 -5.993 4.184 424 3HD2 LEU 67 3HD2 LEU 67 3.540 -4.677 3.822 425 H THR 68 H THR 68 1.323 -7.533 2.609 426 HA THR 68 HA THR 68 0.090 -9.679 1.033 427 HB THR 68 HB THR 68 -0.181 -9.921 3.443 428 HG1 THR 68 1HG THR 68 -2.254 -10.319 2.771 429 1HG2 THR 68 1HG2 THR 68 -1.800 -7.676 4.141 430 2HG2 THR 68 2HG2 THR 68 -0.190 -8.073 4.787 431 3HG2 THR 68 3HG2 THR 68 -0.342 -7.004 3.372 432 H VAL 69 H VAL 69 -0.292 -8.777 -0.967 433 HA VAL 69 HA VAL 69 -1.288 -6.153 -1.258 434 HB VAL 69 HB VAL 69 -1.440 -8.481 -3.180 435 1HG1 VAL 69 1HG1 VAL 69 -2.072 -5.621 -3.356 436 2HG1 VAL 69 2HG1 VAL 69 -0.943 -6.172 -4.617 437 3HG1 VAL 69 3HG1 VAL 69 -2.525 -6.966 -4.431 438 1HG2 VAL 69 1HG2 VAL 69 0.811 -6.463 -2.950 439 2HG2 VAL 69 2HG2 VAL 69 0.859 -8.080 -2.205 440 3HG2 VAL 69 3HG2 VAL 69 0.741 -7.918 -3.974 441 H ARG 70 H ARG 70 -2.961 -6.451 0.552 442 HA ARG 70 HA ARG 70 -5.158 -8.090 0.050 443 1HB ARG 70 1HB ARG 70 -5.077 -5.539 1.723 444 2HB ARG 70 2HB ARG 70 -6.214 -6.884 1.916 445 1HG ARG 70 1HG ARG 70 -4.714 -8.122 3.094 446 2HG ARG 70 2HG ARG 70 -3.364 -7.694 2.027 447 1HD ARG 70 1HD ARG 70 -4.451 -5.536 3.803 448 2HD ARG 70 2HD ARG 70 -3.542 -6.833 4.594 449 HE ARG 70 HE ARG 70 -2.234 -5.701 2.218 450 1HH1 ARG 70 1HH1 ARG 70 -2.623 -5.467 5.707 451 2HH1 ARG 70 2HH1 ARG 70 -1.126 -4.627 5.946 452 1HH2 ARG 70 1HH2 ARG 70 -0.260 -4.593 2.531 453 2HH2 ARG 70 2HH2 ARG 70 0.225 -4.127 4.127 454 H ARG 71 H ARG 71 -7.203 -7.626 -0.901 455 HA ARG 71 HA ARG 71 -7.188 -5.191 -2.473 456 1HB ARG 71 1HB ARG 71 -7.454 -7.337 -3.693 457 2HB ARG 71 2HB ARG 71 -8.895 -7.719 -2.737 458 1HG ARG 71 1HG ARG 71 -9.699 -5.343 -3.634 459 2HG ARG 71 2HG ARG 71 -8.522 -5.666 -4.919 460 1HD ARG 71 1HD ARG 71 -10.543 -6.560 -5.759 461 2HD ARG 71 2HD ARG 71 -9.707 -7.986 -5.127 462 HE ARG 71 HE ARG 71 -11.337 -6.822 -3.066 463 1HH1 ARG 71 1HH1 ARG 71 -11.620 -8.651 -6.059 464 2HH1 ARG 71 2HH1 ARG 71 -13.121 -9.392 -5.613 465 1HH2 ARG 71 1HH2 ARG 71 -13.317 -7.800 -2.478 466 2HH2 ARG 71 2HH2 ARG 71 -14.093 -8.905 -3.563 467 H SER 72 H SER 72 -9.748 -7.328 -0.994 468 HA SER 72 HA SER 72 -11.576 -5.278 -0.732 469 1HB SER 72 1HB SER 72 -11.739 -7.928 -0.530 470 2HB SER 72 2HB SER 72 -11.600 -7.587 1.205 471 HG SER 72 HG SER 72 -13.825 -7.664 0.450 472 H PHE 73 H PHE 73 -10.928 -3.404 0.348 473 HA PHE 73 HA PHE 73 -10.288 -3.774 3.177 474 1HB PHE 73 1HB PHE 73 -8.616 -2.807 1.003 475 2HB PHE 73 2HB PHE 73 -8.976 -1.432 2.051 476 HD1 PHE 73 1HD PHE 73 -9.147 -3.187 4.615 477 HD2 PHE 73 2HD PHE 73 -6.276 -2.851 1.507 478 HE1 PHE 73 1HE PHE 73 -7.348 -3.941 6.195 479 HE2 PHE 73 2HE PHE 73 -4.478 -3.604 3.088 480 HZ PHE 73 HZ PHE 73 -5.035 -4.140 5.412 481 H GLU 74 H GLU 74 -10.362 -1.444 4.285 482 HA GLU 74 HA GLU 74 -12.571 0.014 3.067 483 1HB GLU 74 1HB GLU 74 -13.348 0.393 5.508 484 2HB GLU 74 2HB GLU 74 -13.685 -1.184 4.774 485 1HG GLU 74 1HG GLU 74 -12.052 -2.266 6.049 486 2HG GLU 74 2HG GLU 74 -11.104 -0.791 6.297 487 HE2 GLU 74 HE2 GLU 74 -13.849 -1.774 8.918 488 H GLY 75 H GLY 75 -10.649 1.326 2.297 489 1HA GLY 75 1HA GLY 75 -9.019 2.699 4.182 490 2HA GLY 75 2HA GLY 75 -9.198 3.044 2.473 491 H PHE 76 H PHE 76 -9.063 4.956 4.744 492 HA PHE 76 HA PHE 76 -11.784 6.013 4.763 493 1HB PHE 76 1HB PHE 76 -10.818 7.436 6.589 494 2HB PHE 76 2HB PHE 76 -10.494 5.729 6.908 495 HD1 PHE 76 1HD PHE 76 -8.955 8.776 5.421 496 HD2 PHE 76 2HD PHE 76 -8.312 5.038 7.323 497 HE1 PHE 76 1HE PHE 76 -6.505 9.292 5.607 498 HE2 PHE 76 2HE PHE 76 -5.862 5.553 7.509 499 HZ PHE 76 HZ PHE 76 -4.988 7.675 6.649 500 H LEU 77 H LEU 77 -12.348 7.921 3.751 501 HA LEU 77 HA LEU 77 -11.101 8.847 1.589 502 1HB LEU 77 1HB LEU 77 -12.805 10.212 3.634 503 2HB LEU 77 2HB LEU 77 -12.180 11.116 2.242 504 HG LEU 77 HG LEU 77 -13.795 8.572 1.982 505 1HD1 LEU 77 1HD1 LEU 77 -15.147 11.127 1.401 506 2HD1 LEU 77 2HD1 LEU 77 -15.756 9.647 2.179 507 3HD1 LEU 77 3HD1 LEU 77 -14.811 10.825 3.122 508 1HD2 LEU 77 1HD2 LEU 77 -13.867 10.600 -0.146 509 2HD2 LEU 77 2HD2 LEU 77 -12.267 9.872 0.124 510 3HD2 LEU 77 3HD2 LEU 77 -13.666 8.834 -0.238 511 H PHE 78 H PHE 78 -10.679 10.393 4.857 512 HA PHE 78 HA PHE 78 -8.068 10.471 5.107 513 1HB PHE 78 1HB PHE 78 -7.432 11.400 3.051 514 2HB PHE 78 2HB PHE 78 -8.996 12.188 2.814 515 HD1 PHE 78 1HD PHE 78 -5.590 12.580 3.907 516 HD2 PHE 78 2HD PHE 78 -9.449 14.341 4.035 517 HE1 PHE 78 1HE PHE 78 -4.567 14.776 4.564 518 HE2 PHE 78 2HE PHE 78 -8.425 16.537 4.692 519 HZ PHE 78 HZ PHE 78 -5.996 16.728 4.949 520 H ASP 79 H ASP 79 -11.065 12.358 5.040 521 HA ASP 79 HA ASP 79 -10.930 12.997 7.684 522 1HB ASP 79 1HB ASP 79 -9.038 14.511 6.583 523 2HB ASP 79 2HB ASP 79 -10.410 15.530 6.117 524 HD2 ASP 79 HD2 ASP 79 -9.004 15.786 9.731 525 H GLY 80 H GLY 80 -13.071 12.086 6.612 526 1HA GLY 80 1HA GLY 80 -15.028 14.114 6.611 527 2HA GLY 80 2HA GLY 80 -14.680 13.657 4.954 528 H THR 81 H THR 81 -14.224 10.960 4.975 529 HA THR 81 HA THR 81 -16.138 9.585 6.608 530 HB THR 81 HB THR 81 -16.777 10.494 3.810 531 HG1 THR 81 1HG THR 81 -18.283 11.217 5.275 532 1HG2 THR 81 1HG2 THR 81 -17.839 7.874 4.977 533 2HG2 THR 81 2HG2 THR 81 -18.240 8.589 3.398 534 3HG2 THR 81 3HG2 THR 81 -16.612 7.931 3.690 535 H ARG 82 H ARG 82 -16.283 7.199 5.864 536 HA ARG 82 HA ARG 82 -13.630 6.511 4.875 537 1HB ARG 82 1HB ARG 82 -13.901 4.398 6.267 538 2HB ARG 82 2HB ARG 82 -13.779 5.888 7.221 539 1HG ARG 82 1HG ARG 82 -15.791 5.493 8.146 540 2HG ARG 82 2HG ARG 82 -16.558 5.399 6.550 541 1HD ARG 82 1HD ARG 82 -16.036 3.032 6.379 542 2HD ARG 82 2HD ARG 82 -15.037 3.083 7.839 543 HE ARG 82 HE ARG 82 -17.931 2.864 7.708 544 1HH1 ARG 82 1HH1 ARG 82 -15.291 4.123 9.665 545 2HH1 ARG 82 2HH1 ARG 82 -16.191 4.068 11.143 546 1HH2 ARG 82 1HH2 ARG 82 -19.119 2.790 9.659 547 2HH2 ARG 82 2HH2 ARG 82 -18.383 3.304 11.140 548 H TRP 83 H TRP 83 -13.557 5.132 3.095 549 HA TRP 83 HA TRP 83 -15.767 4.674 1.549 550 1HB TRP 83 1HB TRP 83 -13.031 3.515 1.704 551 2HB TRP 83 2HB TRP 83 -14.220 2.703 0.686 552 HD1 TRP 83 HD TRP 83 -12.068 5.854 0.819 553 HE1 TRP 83 1HE TRP 83 -12.194 7.223 -1.434 554 HE3 TRP 83 3HE TRP 83 -15.891 3.179 -1.203 555 HZ2 TRP 83 2HZ TRP 83 -13.843 7.038 -3.755 556 HZ3 TRP 83 3HZ TRP 83 -16.699 3.840 -3.467 557 HH2 TRP 83 HH TRP 83 -15.740 5.696 -4.736 558 H GLY 84 H GLY 84 -14.112 1.688 2.490 559 1HA GLY 84 1HA GLY 84 -15.436 0.550 4.474 560 2HA GLY 84 2HA GLY 84 -16.684 0.530 3.243 561 H THR 85 H THR 85 -15.950 -1.916 4.105 562 HA THR 85 HA THR 85 -13.704 -3.056 2.877 563 HB THR 85 HB THR 85 -16.353 -4.112 3.967 564 HG1 THR 85 1HG THR 85 -14.899 -4.548 5.708 565 1HG2 THR 85 1HG2 THR 85 -15.868 -6.203 3.189 566 2HG2 THR 85 2HG2 THR 85 -14.517 -5.527 2.248 567 3HG2 THR 85 3HG2 THR 85 -14.246 -6.095 3.913 568 H VAL 86 H VAL 86 -13.906 -1.822 0.772 569 HA VAL 86 HA VAL 86 -15.704 -3.278 -1.036 570 HB VAL 86 HB VAL 86 -15.692 -0.662 -0.632 571 1HG1 VAL 86 1HG1 VAL 86 -13.288 -0.400 -1.154 572 2HG1 VAL 86 2HG1 VAL 86 -13.596 -0.988 -2.806 573 3HG1 VAL 86 3HG1 VAL 86 -14.326 0.538 -2.255 574 1HG2 VAL 86 1HG2 VAL 86 -17.302 -1.313 -2.109 575 2HG2 VAL 86 2HG2 VAL 86 -16.187 -0.549 -3.268 576 3HG2 VAL 86 3HG2 VAL 86 -16.184 -2.317 -3.063 577 H ASP 87 H ASP 87 -14.761 -3.570 -3.312 578 HA ASP 87 HA ASP 87 -12.362 -4.977 -3.020 579 1HB ASP 87 1HB ASP 87 -12.555 -4.907 -5.660 580 2HB ASP 87 2HB ASP 87 -13.714 -5.849 -4.711 581 HD2 ASP 87 HD2 ASP 87 -15.758 -4.047 -6.958 582 H CYS 88 H CYS 88 -10.422 -3.844 -2.724 583 HA CYS 88 HA CYS 88 -9.929 -1.254 -3.241 584 1HB CYS 88 1HB CYS 88 -8.300 -3.665 -2.902 585 2HB CYS 88 2HB CYS 88 -7.475 -2.341 -3.746 586 H THR 89 H THR 89 -9.755 -4.064 -5.485 587 HA THR 89 HA THR 89 -8.491 -2.898 -7.631 588 HB THR 89 HB THR 89 -9.699 -5.314 -7.025 589 HG1 THR 89 1HG THR 89 -7.942 -4.621 -8.584 590 1HG2 THR 89 1HG2 THR 89 -11.950 -4.499 -7.779 591 2HG2 THR 89 2HG2 THR 89 -11.234 -4.007 -9.333 592 3HG2 THR 89 3HG2 THR 89 -11.301 -5.729 -8.889 593 H THR 90 H THR 90 -11.753 -2.323 -6.380 594 HA THR 90 HA THR 90 -12.654 -1.025 -8.767 595 HB THR 90 HB THR 90 -13.662 -1.272 -5.893 596 HG1 THR 90 1HG THR 90 -15.275 -2.509 -7.315 597 1HG2 THR 90 1HG2 THR 90 -14.582 0.483 -8.117 598 2HG2 THR 90 2HG2 THR 90 -15.838 -0.611 -7.488 599 3HG2 THR 90 3HG2 THR 90 -15.017 0.526 -6.392 600 H ALA 91 H ALA 91 -10.672 -0.133 -6.034 601 HA ALA 91 HA ALA 91 -10.886 2.663 -6.918 602 1HB ALA 91 1HB ALA 91 -11.131 1.425 -4.274 603 2HB ALA 91 2HB ALA 91 -9.870 2.682 -4.317 604 3HB ALA 91 3HB ALA 91 -11.538 3.077 -4.798 605 H ALA 92 H ALA 92 -9.143 0.117 -7.579 606 HA ALA 92 HA ALA 92 -6.965 -0.426 -7.725 607 1HB ALA 92 1HB ALA 92 -7.560 2.154 -9.015 608 2HB ALA 92 2HB ALA 92 -5.825 1.897 -8.713 609 3HB ALA 92 3HB ALA 92 -6.748 0.712 -9.668 610 H CYS 93 H CYS 93 -7.129 -0.347 -5.151 611 HA CYS 93 HA CYS 93 -6.025 1.720 -3.734 612 1HB CYS 93 1HB CYS 93 -6.040 -1.247 -3.264 613 2HB CYS 93 2HB CYS 93 -5.362 -0.107 -2.086 614 H GLN 94 H GLN 94 -3.746 0.972 -2.383 615 HA GLN 94 HA GLN 94 -1.799 0.110 -4.308 616 1HB GLN 94 1HB GLN 94 -0.436 2.075 -4.237 617 2HB GLN 94 2HB GLN 94 -2.075 2.624 -4.626 618 1HG GLN 94 1HG GLN 94 -1.817 2.560 -1.770 619 2HG GLN 94 2HG GLN 94 -0.386 3.383 -2.410 620 1HE2 GLN 94 1HE2 GLN 94 -0.648 5.214 -3.741 621 2HE2 GLN 94 2HE2 GLN 94 -2.071 6.200 -3.675 622 H VAL 95 H VAL 95 0.177 -0.621 -3.308 623 HA VAL 95 HA VAL 95 0.055 -0.640 -0.372 624 HB VAL 95 HB VAL 95 1.124 -2.889 -2.068 625 1HG1 VAL 95 1HG1 VAL 95 1.920 -3.007 0.167 626 2HG1 VAL 95 2HG1 VAL 95 0.324 -2.594 0.838 627 3HG1 VAL 95 3HG1 VAL 95 0.581 -4.175 0.061 628 1HG2 VAL 95 1HG2 VAL 95 -1.290 -3.792 -1.053 629 2HG2 VAL 95 2HG2 VAL 95 -1.671 -2.142 -1.600 630 3HG2 VAL 95 3HG2 VAL 95 -0.973 -3.318 -2.739 631 H GLY 96 H GLY 96 1.681 0.603 0.392 632 1HA GLY 96 1HA GLY 96 4.314 0.338 -0.910 633 2HA GLY 96 2HA GLY 96 3.631 1.921 -0.597 634 H LEU 97 H LEU 97 5.879 1.837 0.648 635 HA LEU 97 HA LEU 97 5.466 0.668 3.297 636 1HB LEU 97 1HB LEU 97 7.856 1.481 1.700 637 2HB LEU 97 2HB LEU 97 7.962 1.389 3.468 638 HG LEU 97 HG LEU 97 8.698 -0.694 2.905 639 1HD1 LEU 97 1HD1 LEU 97 7.004 -2.342 3.335 640 2HD1 LEU 97 2HD1 LEU 97 6.655 -0.897 4.316 641 3HD1 LEU 97 3HD1 LEU 97 5.715 -1.218 2.838 642 1HD2 LEU 97 1HD2 LEU 97 8.785 -0.998 0.684 643 2HD2 LEU 97 2HD2 LEU 97 7.285 -1.924 0.929 644 3HD2 LEU 97 3HD2 LEU 97 7.206 -0.224 0.406 645 H SER 98 H SER 98 5.578 1.941 5.193 646 HA SER 98 HA SER 98 5.556 4.807 4.670 647 1HB SER 98 1HB SER 98 3.282 3.510 5.216 648 2HB SER 98 2HB SER 98 3.850 3.698 6.885 649 HG SER 98 HG SER 98 2.462 5.464 6.072 650 H ASP 99 H ASP 99 6.005 6.105 6.754 651 HA ASP 99 HA ASP 99 8.257 4.913 7.997 652 1HB ASP 99 1HB ASP 99 7.266 7.380 9.238 653 2HB ASP 99 2HB ASP 99 8.821 7.075 8.449 654 HD2 ASP 99 HD2 ASP 99 7.868 8.887 5.726 655 H ALA 100 H ALA 100 8.372 5.464 10.600 656 HA ALA 100 HA ALA 100 6.573 3.742 11.835 657 1HB ALA 100 1HB ALA 100 7.664 4.411 13.865 658 2HB ALA 100 2HB ALA 100 8.898 4.456 12.583 659 3HB ALA 100 3HB ALA 100 8.160 5.969 13.161 660 H ALA 101 H ALA 101 6.165 6.975 10.709 661 HA ALA 101 HA ALA 101 4.021 7.486 12.629 662 1HB ALA 101 1HB ALA 101 5.564 9.311 12.364 663 2HB ALA 101 2HB ALA 101 5.481 9.203 10.589 664 3HB ALA 101 3HB ALA 101 4.069 9.766 11.513 665 H GLY 102 H GLY 102 4.586 6.057 9.585 666 1HA GLY 102 1HA GLY 102 3.153 5.242 8.048 667 2HA GLY 102 2HA GLY 102 1.815 5.737 9.067 668 H ASN 103 H ASN 103 4.297 8.079 8.054 669 HA ASN 103 HA ASN 103 2.276 9.657 6.858 670 1HB ASN 103 1HB ASN 103 5.127 9.922 7.621 671 2HB ASN 103 2HB ASN 103 4.717 10.824 6.153 672 1HD2 ASN 103 1HD2 ASN 103 5.504 11.900 8.664 673 2HD2 ASN 103 2HD2 ASN 103 4.209 12.866 9.289 674 H GLY 104 H GLY 104 3.523 10.846 4.632 675 1HA GLY 104 1HA GLY 104 3.798 10.573 2.418 676 2HA GLY 104 2HA GLY 104 4.863 9.244 2.829 677 HA PRO 105 HA PRO 105 0.512 7.496 2.014 678 1HB PRO 105 1HB PRO 105 -1.313 9.111 0.780 679 2HB PRO 105 2HB PRO 105 -1.277 8.853 2.522 680 1HG PRO 105 1HG PRO 105 -0.363 11.161 0.930 681 2HG PRO 105 2HG PRO 105 -0.770 11.097 2.682 682 1HD PRO 105 1HD PRO 105 1.816 11.197 1.458 683 2HD PRO 105 2HD PRO 105 1.472 10.973 3.177 684 H GLU 106 H GLU 106 0.951 5.984 0.550 685 HA GLU 106 HA GLU 106 0.328 6.116 -1.990 686 1HB GLU 106 1HB GLU 106 2.707 7.795 -1.559 687 2HB GLU 106 2HB GLU 106 2.939 6.587 -2.833 688 1HG GLU 106 1HG GLU 106 0.310 7.842 -3.030 689 2HG GLU 106 2HG GLU 106 1.588 9.067 -3.045 690 HE2 GLU 106 HE2 GLU 106 0.975 7.034 -6.275 691 H GLY 107 H GLY 107 2.309 4.795 -3.437 692 1HA GLY 107 1HA GLY 107 3.995 3.043 -2.197 693 2HA GLY 107 2HA GLY 107 2.422 2.283 -2.056 694 H VAL 108 H VAL 108 1.347 1.456 -3.906 695 HA VAL 108 HA VAL 108 2.423 1.988 -6.511 696 HB VAL 108 HB VAL 108 4.004 0.328 -5.563 697 1HG1 VAL 108 1HG1 VAL 108 1.809 -0.837 -4.415 698 2HG1 VAL 108 2HG1 VAL 108 2.096 -1.913 -5.803 699 3HG1 VAL 108 3HG1 VAL 108 3.392 -1.626 -4.616 700 1HG2 VAL 108 1HG2 VAL 108 2.272 -0.487 -7.912 701 2HG2 VAL 108 2HG2 VAL 108 3.813 0.404 -7.937 702 3HG2 VAL 108 3HG2 VAL 108 3.787 -1.316 -7.481 703 H ALA 109 H ALA 109 0.704 2.055 -7.866 704 HA ALA 109 HA ALA 109 -1.863 1.421 -6.955 705 1HB ALA 109 1HB ALA 109 -0.582 2.215 -9.555 706 2HB ALA 109 2HB ALA 109 -2.261 1.623 -9.576 707 3HB ALA 109 3HB ALA 109 -1.831 3.049 -8.601 708 H ILE 110 H ILE 110 -2.239 -0.683 -6.301 709 HA ILE 110 HA ILE 110 -1.328 -2.833 -8.017 710 HB ILE 110 HB ILE 110 -2.386 -2.576 -5.244 711 1HG1 ILE 110 1HG1 ILE 110 0.017 -2.529 -5.683 712 2HG1 ILE 110 2HG1 ILE 110 -0.441 -3.940 -4.715 713 1HG2 ILE 110 1HG2 ILE 110 -2.321 -5.247 -6.658 714 2HG2 ILE 110 2HG2 ILE 110 -2.905 -4.877 -5.017 715 3HG2 ILE 110 3HG2 ILE 110 -3.807 -4.292 -6.436 716 1HD1 ILE 110 1HD1 ILE 110 -0.590 -4.591 -7.542 717 2HD1 ILE 110 2HD1 ILE 110 1.005 -3.897 -7.166 718 3HD1 ILE 110 3HD1 ILE 110 0.426 -5.327 -6.278 719 H SER 111 H SER 111 -2.694 -4.276 -9.133 720 HA SER 111 HA SER 111 -5.447 -3.327 -9.307 721 1HB SER 111 1HB SER 111 -3.436 -3.636 -11.356 722 2HB SER 111 2HB SER 111 -4.776 -4.746 -11.694 723 HG SER 111 HG SER 111 -5.622 -2.966 -12.575 724 H PHE 112 H PHE 112 -6.206 -4.859 -7.734 725 HA PHE 112 HA PHE 112 -5.506 -7.592 -7.885 726 1HB PHE 112 1HB PHE 112 -8.021 -6.312 -6.692 727 2HB PHE 112 2HB PHE 112 -7.181 -7.748 -6.096 728 HD1 PHE 112 1HD PHE 112 -5.252 -7.539 -4.677 729 HD2 PHE 112 2HD PHE 112 -7.113 -4.079 -6.282 730 HE1 PHE 112 1HE PHE 112 -3.960 -6.102 -3.075 731 HE2 PHE 112 2HE PHE 112 -5.822 -2.642 -4.680 732 HZ PHE 112 HZ PHE 112 -4.260 -3.670 -3.096 733 H ASN 113 H ASN 113 -7.118 -5.847 -10.142 734 HA ASN 113 HA ASN 113 -9.526 -6.943 -10.561 735 1HB ASN 113 1HB ASN 113 -8.068 -5.242 -11.966 736 2HB ASN 113 2HB ASN 113 -7.592 -6.672 -12.891 737 1HD2 ASN 113 1HD2 ASN 113 -8.866 -7.374 -14.446 738 2HD2 ASN 113 2HD2 ASN 113 -10.490 -6.863 -14.764 Start of MODEL 29 1 H ALA 1 H ALA 1 9.652 9.275 -0.140 2 HA ALA 1 HA ALA 1 8.422 11.483 -0.107 3 1HB ALA 1 1HB ALA 1 9.596 13.290 0.533 4 2HB ALA 1 2HB ALA 1 10.957 12.210 0.922 5 3HB ALA 1 3HB ALA 1 10.848 12.961 -0.688 6 H ALA 2 H ALA 2 11.640 11.166 -1.774 7 HA ALA 2 HA ALA 2 10.328 11.486 -4.314 8 1HB ALA 2 1HB ALA 2 13.019 10.767 -4.701 9 2HB ALA 2 2HB ALA 2 12.346 12.415 -4.675 10 3HB ALA 2 3HB ALA 2 13.007 11.699 -3.185 11 HA PRO 3 HA PRO 3 11.700 6.960 -4.528 12 1HB PRO 3 1HB PRO 3 12.572 5.696 -2.269 13 2HB PRO 3 2HB PRO 3 13.663 6.404 -3.461 14 1HG PRO 3 1HG PRO 3 12.848 7.400 -0.804 15 2HG PRO 3 2HG PRO 3 14.291 7.856 -1.783 16 1HD PRO 3 1HD PRO 3 11.879 9.344 -1.367 17 2HD PRO 3 2HD PRO 3 13.200 9.762 -2.465 18 H THR 4 H THR 4 11.128 4.666 -3.057 19 HA THR 4 HA THR 4 9.032 4.668 -1.392 20 HB THR 4 HB THR 4 7.531 5.993 -2.609 21 HG1 THR 4 1HG THR 4 7.338 3.435 -4.023 22 1HG2 THR 4 1HG2 THR 4 7.482 5.155 -5.285 23 2HG2 THR 4 2HG2 THR 4 8.244 6.650 -4.691 24 3HG2 THR 4 3HG2 THR 4 9.220 5.176 -4.901 25 H ALA 5 H ALA 5 7.549 2.638 -1.686 26 HA ALA 5 HA ALA 5 9.352 0.540 -2.635 27 1HB ALA 5 1HB ALA 5 8.142 -0.904 -1.111 28 2HB ALA 5 2HB ALA 5 8.573 0.588 -0.241 29 3HB ALA 5 3HB ALA 5 6.910 0.349 -0.828 30 H THR 6 H THR 6 8.186 -1.453 -3.578 31 HA THR 6 HA THR 6 5.687 -0.894 -4.900 32 HB THR 6 HB THR 6 6.660 -1.136 -7.184 33 HG1 THR 6 1HG THR 6 8.868 -1.594 -7.299 34 1HG2 THR 6 1HG2 THR 6 7.864 0.980 -7.361 35 2HG2 THR 6 2HG2 THR 6 6.600 1.201 -6.127 36 3HG2 THR 6 3HG2 THR 6 8.290 0.938 -5.633 37 H VAL 7 H VAL 7 4.725 -2.779 -5.850 38 HA VAL 7 HA VAL 7 5.868 -5.204 -4.678 39 HB VAL 7 HB VAL 7 3.093 -4.836 -5.788 40 1HG1 VAL 7 1HG1 VAL 7 4.500 -7.039 -4.730 41 2HG1 VAL 7 2HG1 VAL 7 3.350 -6.540 -3.466 42 3HG1 VAL 7 3HG1 VAL 7 2.762 -6.933 -5.100 43 1HG2 VAL 7 1HG2 VAL 7 4.245 -3.559 -3.448 44 2HG2 VAL 7 2HG2 VAL 7 2.633 -3.360 -4.176 45 3HG2 VAL 7 3HG2 VAL 7 2.921 -4.659 -2.995 46 H THR 8 H THR 8 6.464 -6.955 -5.936 47 HA THR 8 HA THR 8 7.407 -6.677 -8.422 48 HB THR 8 HB THR 8 6.442 -8.903 -6.705 49 HG1 THR 8 1HG THR 8 8.653 -8.849 -6.818 50 1HG2 THR 8 1HG2 THR 8 6.645 -10.613 -8.467 51 2HG2 THR 8 2HG2 THR 8 5.329 -9.498 -8.911 52 3HG2 THR 8 3HG2 THR 8 6.920 -9.356 -9.696 53 HA PRO 9 HA PRO 9 3.322 -7.682 -10.485 54 1HB PRO 9 1HB PRO 9 1.063 -8.132 -9.014 55 2HB PRO 9 2HB PRO 9 2.107 -9.426 -9.600 56 1HG PRO 9 1HG PRO 9 1.851 -8.271 -6.896 57 2HG PRO 9 2HG PRO 9 2.534 -9.867 -7.377 58 1HD PRO 9 1HD PRO 9 3.932 -7.500 -6.572 59 2HD PRO 9 2HD PRO 9 4.652 -8.994 -7.187 60 H SER 10 H SER 10 0.685 -6.776 -10.327 61 HA SER 10 HA SER 10 0.280 -4.453 -9.075 62 1HB SER 10 1HB SER 10 2.195 -4.110 -11.320 63 2HB SER 10 2HB SER 10 0.859 -2.944 -11.294 64 HG SER 10 HG SER 10 3.059 -3.242 -9.563 65 H SER 11 H SER 11 -0.833 -6.865 -10.553 66 HA SER 11 HA SER 11 -3.244 -5.875 -11.238 67 1HB SER 11 1HB SER 11 -2.479 -4.671 -13.112 68 2HB SER 11 2HB SER 11 -1.350 -5.945 -13.603 69 HG SER 11 HG SER 11 -4.171 -5.732 -13.992 70 H GLY 12 H GLY 12 -4.676 -7.590 -12.168 71 1HA GLY 12 1HA GLY 12 -5.350 -9.725 -12.344 72 2HA GLY 12 2HA GLY 12 -3.782 -10.077 -13.044 73 H LEU 13 H LEU 13 -4.419 -8.800 -9.730 74 HA LEU 13 HA LEU 13 -3.033 -11.152 -8.694 75 1HB LEU 13 1HB LEU 13 -3.739 -8.614 -7.243 76 2HB LEU 13 2HB LEU 13 -2.577 -9.861 -6.758 77 HG LEU 13 HG LEU 13 -2.332 -7.702 -8.831 78 1HD1 LEU 13 1HD1 LEU 13 -0.607 -6.931 -7.581 79 2HD1 LEU 13 2HD1 LEU 13 -1.489 -7.785 -6.291 80 3HD1 LEU 13 3HD1 LEU 13 -0.091 -8.558 -7.076 81 1HD2 LEU 13 1HD2 LEU 13 -0.448 -10.063 -8.752 82 2HD2 LEU 13 2HD2 LEU 13 -1.824 -9.963 -9.879 83 3HD2 LEU 13 3HD2 LEU 13 -0.530 -8.741 -9.942 84 H SER 14 H SER 14 -4.310 -10.467 -5.979 85 HA SER 14 HA SER 14 -7.054 -11.087 -6.405 86 1HB SER 14 1HB SER 14 -5.574 -13.286 -6.536 87 2HB SER 14 2HB SER 14 -5.582 -13.150 -4.770 88 HG SER 14 HG SER 14 -8.008 -12.971 -5.027 89 H ASP 15 H ASP 15 -8.282 -11.021 -4.330 90 HA ASP 15 HA ASP 15 -7.464 -9.015 -2.703 91 1HB ASP 15 1HB ASP 15 -9.774 -9.801 -2.803 92 2HB ASP 15 2HB ASP 15 -9.318 -11.368 -2.115 93 HD2 ASP 15 HD2 ASP 15 -8.895 -8.579 0.626 94 H GLY 16 H GLY 16 -5.372 -9.203 -1.757 95 1HA GLY 16 1HA GLY 16 -4.262 -9.773 0.243 96 2HA GLY 16 2HA GLY 16 -5.087 -11.319 0.269 97 H THR 17 H THR 17 -3.527 -9.788 -2.599 98 HA THR 17 HA THR 17 -2.087 -12.188 -3.148 99 HB THR 17 HB THR 17 -2.501 -9.457 -4.359 100 HG1 THR 17 1HG THR 17 -3.631 -11.683 -4.665 101 1HG2 THR 17 1HG2 THR 17 -0.034 -11.121 -4.673 102 2HG2 THR 17 2HG2 THR 17 -0.854 -10.689 -6.192 103 3HG2 THR 17 3HG2 THR 17 -0.302 -9.410 -5.084 104 H VAL 18 H VAL 18 -0.821 -12.611 -1.282 105 HA VAL 18 HA VAL 18 1.071 -10.639 -0.431 106 HB VAL 18 HB VAL 18 0.974 -13.580 0.242 107 1HG1 VAL 18 1HG1 VAL 18 2.413 -11.207 1.278 108 2HG1 VAL 18 2HG1 VAL 18 1.703 -12.272 2.514 109 3HG1 VAL 18 3HG1 VAL 18 2.852 -12.931 1.325 110 1HG2 VAL 18 1HG2 VAL 18 -0.967 -11.480 0.838 111 2HG2 VAL 18 2HG2 VAL 18 -1.075 -13.240 1.078 112 3HG2 VAL 18 3HG2 VAL 18 -0.295 -12.221 2.311 113 H VAL 19 H VAL 19 2.626 -10.079 -1.904 114 HA VAL 19 HA VAL 19 4.196 -12.313 -2.979 115 HB VAL 19 HB VAL 19 4.520 -10.558 -4.931 116 1HG1 VAL 19 1HG1 VAL 19 2.922 -12.896 -4.511 117 2HG1 VAL 19 2HG1 VAL 19 2.018 -11.773 -5.555 118 3HG1 VAL 19 3HG1 VAL 19 3.655 -12.299 -6.019 119 1HG2 VAL 19 1HG2 VAL 19 2.166 -9.591 -5.412 120 2HG2 VAL 19 2HG2 VAL 19 1.892 -9.787 -3.664 121 3HG2 VAL 19 3HG2 VAL 19 3.211 -8.743 -4.247 122 H LYS 20 H LYS 20 6.370 -11.201 -3.955 123 HA LYS 20 HA LYS 20 7.592 -10.039 -1.651 124 1HB LYS 20 1HB LYS 20 8.519 -11.738 -3.400 125 2HB LYS 20 2HB LYS 20 8.938 -10.285 -4.325 126 1HG LYS 20 1HG LYS 20 10.492 -9.580 -2.756 127 2HG LYS 20 2HG LYS 20 9.656 -10.357 -1.401 128 1HD LYS 20 1HD LYS 20 10.351 -12.591 -2.401 129 2HD LYS 20 2HD LYS 20 11.359 -11.695 -3.551 130 1HE LYS 20 1HE LYS 20 12.969 -11.358 -1.995 131 2HE LYS 20 2HE LYS 20 11.801 -10.803 -0.786 132 1HZ LYS 20 1HZ LYS 20 12.015 -12.747 0.185 133 2HZ LYS 20 2HZ LYS 20 11.482 -13.531 -1.145 134 3HZ LYS 20 3HZ LYS 20 13.079 -13.255 -0.946 135 H VAL 21 H VAL 21 8.467 -7.944 -1.416 136 HA VAL 21 HA VAL 21 7.884 -6.053 -3.552 137 HB VAL 21 HB VAL 21 6.884 -5.785 -0.710 138 1HG1 VAL 21 1HG1 VAL 21 6.082 -3.794 -2.747 139 2HG1 VAL 21 2HG1 VAL 21 6.499 -3.581 -1.030 140 3HG1 VAL 21 3HG1 VAL 21 7.789 -3.727 -2.248 141 1HG2 VAL 21 1HG2 VAL 21 5.605 -6.538 -3.295 142 2HG2 VAL 21 2HG2 VAL 21 5.220 -7.042 -1.631 143 3HG2 VAL 21 3HG2 VAL 21 4.692 -5.448 -2.223 144 H ALA 22 H ALA 22 9.316 -4.279 -3.587 145 HA ALA 22 HA ALA 22 11.256 -4.139 -1.413 146 1HB ALA 22 1HB ALA 22 11.747 -5.116 -4.163 147 2HB ALA 22 2HB ALA 22 12.864 -3.840 -3.624 148 3HB ALA 22 3HB ALA 22 12.706 -5.341 -2.680 149 H GLY 23 H GLY 23 12.433 -2.066 -1.402 150 1HA GLY 23 1HA GLY 23 12.760 0.102 -2.296 151 2HA GLY 23 2HA GLY 23 11.209 0.004 -3.107 152 H ALA 24 H ALA 24 11.460 2.271 -1.753 153 HA ALA 24 HA ALA 24 9.399 2.600 -0.163 154 1HB ALA 24 1HB ALA 24 11.599 1.276 1.427 155 2HB ALA 24 2HB ALA 24 10.479 2.412 2.214 156 3HB ALA 24 3HB ALA 24 9.851 0.942 1.431 157 H GLY 25 H GLY 25 10.648 4.057 2.117 158 1HA GLY 25 1HA GLY 25 11.189 6.491 0.801 159 2HA GLY 25 2HA GLY 25 11.397 6.141 2.506 160 H LEU 26 H LEU 26 13.117 3.734 0.947 161 HA LEU 26 HA LEU 26 15.294 3.324 0.845 162 1HB LEU 26 1HB LEU 26 15.034 4.259 -1.297 163 2HB LEU 26 2HB LEU 26 15.103 5.918 -0.677 164 HG LEU 26 HG LEU 26 17.527 5.053 0.106 165 1HD1 LEU 26 1HD1 LEU 26 18.368 3.280 -0.956 166 2HD1 LEU 26 2HD1 LEU 26 16.682 2.873 -1.359 167 3HD1 LEU 26 3HD1 LEU 26 17.683 3.776 -2.521 168 1HD2 LEU 26 1HD2 LEU 26 16.973 7.054 -1.255 169 2HD2 LEU 26 2HD2 LEU 26 18.453 6.219 -1.789 170 3HD2 LEU 26 3HD2 LEU 26 16.938 6.022 -2.704 171 H GLN 27 H GLN 27 15.069 3.710 3.326 172 HA GLN 27 HA GLN 27 16.480 6.081 4.150 173 1HB GLN 27 1HB GLN 27 14.537 5.489 5.451 174 2HB GLN 27 2HB GLN 27 15.123 3.835 5.697 175 1HG GLN 27 1HG GLN 27 15.603 4.998 7.722 176 2HG GLN 27 2HG GLN 27 17.155 4.893 6.878 177 1HE2 GLN 27 1HE2 GLN 27 16.177 6.765 8.910 178 2HE2 GLN 27 2HE2 GLN 27 16.326 8.360 8.250 179 H ALA 28 H ALA 28 16.793 2.908 5.773 180 HA ALA 28 HA ALA 28 19.039 1.865 4.760 181 1HB ALA 28 1HB ALA 28 19.625 4.420 6.163 182 2HB ALA 28 2HB ALA 28 20.668 3.046 6.602 183 3HB ALA 28 3HB ALA 28 20.549 3.567 4.904 184 H GLY 29 H GLY 29 18.280 -0.041 5.630 185 1HA GLY 29 1HA GLY 29 17.627 -1.541 7.187 186 2HA GLY 29 2HA GLY 29 19.005 -0.930 8.080 187 H THR 30 H THR 30 16.094 1.002 7.238 188 HA THR 30 HA THR 30 15.532 1.186 10.122 189 HB THR 30 HB THR 30 14.872 3.127 7.844 190 HG1 THR 30 1HG THR 30 17.168 2.953 8.248 191 1HG2 THR 30 1HG2 THR 30 13.450 3.735 9.656 192 2HG2 THR 30 2HG2 THR 30 14.624 3.187 10.876 193 3HG2 THR 30 3HG2 THR 30 14.916 4.693 9.973 194 H ALA 31 H ALA 31 13.218 1.491 10.723 195 HA ALA 31 HA ALA 31 11.718 -0.630 9.637 196 1HB ALA 31 1HB ALA 31 10.756 1.672 11.376 197 2HB ALA 31 2HB ALA 31 10.054 0.041 11.251 198 3HB ALA 31 3HB ALA 31 11.652 0.267 12.002 199 H TYR 32 H TYR 32 9.762 -0.582 8.394 200 HA TYR 32 HA TYR 32 9.008 1.958 7.217 201 1HB TYR 32 1HB TYR 32 10.497 -0.339 5.951 202 2HB TYR 32 2HB TYR 32 9.153 0.294 4.993 203 HD1 TYR 32 1HD TYR 32 12.581 0.505 5.459 204 HD2 TYR 32 2HD TYR 32 9.165 3.031 4.945 205 HE1 TYR 32 1HE TYR 32 14.081 2.371 4.603 206 HE2 TYR 32 2HE TYR 32 10.678 4.888 4.091 207 HH TYR 32 HH TYR 32 12.750 5.564 3.880 208 H ASP 33 H ASP 33 7.109 1.397 8.588 209 HA ASP 33 HA ASP 33 5.687 -0.897 8.376 210 1HB ASP 33 1HB ASP 33 5.375 1.500 9.649 211 2HB ASP 33 2HB ASP 33 4.088 1.631 8.442 212 HD2 ASP 33 HD2 ASP 33 3.683 -0.916 11.452 213 H VAL 34 H VAL 34 4.067 -1.675 6.907 214 HA VAL 34 HA VAL 34 4.217 -0.750 4.262 215 HB VAL 34 HB VAL 34 2.310 -2.605 5.694 216 1HG1 VAL 34 1HG1 VAL 34 2.564 -1.956 2.746 217 2HG1 VAL 34 2HG1 VAL 34 1.809 -3.449 3.352 218 3HG1 VAL 34 3HG1 VAL 34 1.115 -1.866 3.775 219 1HG2 VAL 34 1HG2 VAL 34 4.919 -2.937 4.252 220 2HG2 VAL 34 2HG2 VAL 34 4.338 -3.698 5.752 221 3HG2 VAL 34 3HG2 VAL 34 3.718 -4.248 4.176 222 H GLY 35 H GLY 35 2.262 -0.043 2.945 223 1HA GLY 35 1HA GLY 35 0.755 1.967 4.505 224 2HA GLY 35 2HA GLY 35 1.254 2.141 2.834 225 H GLN 36 H GLN 36 0.109 1.058 1.142 226 HA GLN 36 HA GLN 36 -1.514 -0.046 0.180 227 1HB GLN 36 1HB GLN 36 -1.334 -1.923 1.653 228 2HB GLN 36 2HB GLN 36 -2.125 -1.058 2.983 229 1HG GLN 36 1HG GLN 36 -3.990 -2.148 2.266 230 2HG GLN 36 2HG GLN 36 -4.049 -0.891 1.021 231 1HE2 GLN 36 1HE2 GLN 36 -4.086 -1.508 -1.001 232 2HE2 GLN 36 2HE2 GLN 36 -3.622 -3.054 -1.633 233 H CYS 37 H CYS 37 -2.669 1.688 -0.639 234 HA CYS 37 HA CYS 37 -4.793 2.696 1.110 235 1HB CYS 37 1HB CYS 37 -3.210 4.269 -0.917 236 2HB CYS 37 2HB CYS 37 -4.582 4.881 0.025 237 H ALA 38 H ALA 38 -6.337 4.070 -0.686 238 HA ALA 38 HA ALA 38 -6.592 2.570 -3.132 239 1HB ALA 38 1HB ALA 38 -7.756 1.280 -1.186 240 2HB ALA 38 2HB ALA 38 -8.972 2.578 -1.267 241 3HB ALA 38 3HB ALA 38 -8.666 1.556 -2.692 242 H TRP 39 H TRP 39 -6.461 4.417 -4.372 243 HA TRP 39 HA TRP 39 -7.714 6.838 -3.565 244 1HB TRP 39 1HB TRP 39 -5.732 6.961 -4.847 245 2HB TRP 39 2HB TRP 39 -6.389 5.925 -6.116 246 HD1 TRP 39 HD TRP 39 -7.156 9.453 -4.606 247 HE1 TRP 39 1HE TRP 39 -8.020 11.091 -6.486 248 HE3 TRP 39 3HE TRP 39 -7.165 6.003 -8.341 249 HZ2 TRP 39 2HZ TRP 39 -8.598 10.767 -9.262 250 HZ3 TRP 39 3HZ TRP 39 -7.893 6.747 -10.606 251 HH2 TRP 39 HH TRP 39 -8.593 9.037 -11.097 252 H VAL 40 H VAL 40 -9.703 7.701 -4.246 253 HA VAL 40 HA VAL 40 -11.326 5.909 -5.917 254 HB VAL 40 HB VAL 40 -12.124 7.493 -3.468 255 1HG1 VAL 40 1HG1 VAL 40 -14.327 7.212 -3.941 256 2HG1 VAL 40 2HG1 VAL 40 -13.730 7.186 -5.618 257 3HG1 VAL 40 3HG1 VAL 40 -14.066 5.657 -4.768 258 1HG2 VAL 40 1HG2 VAL 40 -12.418 4.515 -3.873 259 2HG2 VAL 40 2HG2 VAL 40 -10.909 5.223 -3.251 260 3HG2 VAL 40 3HG2 VAL 40 -12.432 5.450 -2.359 261 H ASP 41 H ASP 41 -12.691 8.875 -4.680 262 HA ASP 41 HA ASP 41 -13.285 9.850 -7.140 263 1HB ASP 41 1HB ASP 41 -12.712 11.512 -4.651 264 2HB ASP 41 2HB ASP 41 -13.756 11.983 -6.001 265 HD2 ASP 41 HD2 ASP 41 -15.441 8.975 -4.127 266 H THR 42 H THR 42 -12.425 12.557 -7.293 267 HA THR 42 HA THR 42 -9.740 12.204 -8.265 268 HB THR 42 HB THR 42 -11.820 14.438 -8.255 269 HG1 THR 42 1HG THR 42 -10.429 12.655 -10.120 270 1HG2 THR 42 1HG2 THR 42 -9.950 15.835 -8.426 271 2HG2 THR 42 2HG2 THR 42 -8.889 14.511 -8.967 272 3HG2 THR 42 3HG2 THR 42 -10.028 15.262 -10.110 273 H GLY 43 H GLY 43 -11.351 13.752 -5.476 274 1HA GLY 43 1HA GLY 43 -8.660 14.471 -4.474 275 2HA GLY 43 2HA GLY 43 -10.112 15.400 -4.160 276 H VAL 44 H VAL 44 -10.148 11.832 -4.257 277 HA VAL 44 HA VAL 44 -10.287 11.810 -1.327 278 HB VAL 44 HB VAL 44 -12.118 10.315 -3.213 279 1HG1 VAL 44 1HG1 VAL 44 -11.561 10.143 -0.318 280 2HG1 VAL 44 2HG1 VAL 44 -13.288 10.250 -0.740 281 3HG1 VAL 44 3HG1 VAL 44 -12.282 8.949 -1.425 282 1HG2 VAL 44 1HG2 VAL 44 -12.818 12.634 -1.385 283 2HG2 VAL 44 2HG2 VAL 44 -12.519 12.793 -3.133 284 3HG2 VAL 44 3HG2 VAL 44 -13.881 11.808 -2.549 285 H LEU 45 H LEU 45 -8.899 10.365 -0.435 286 HA LEU 45 HA LEU 45 -8.129 8.066 -2.068 287 1HB LEU 45 1HB LEU 45 -6.516 10.055 -2.208 288 2HB LEU 45 2HB LEU 45 -6.068 9.632 -0.546 289 HG LEU 45 HG LEU 45 -5.916 7.721 -2.889 290 1HD1 LEU 45 1HD1 LEU 45 -3.318 8.310 -2.186 291 2HD1 LEU 45 2HD1 LEU 45 -4.191 8.945 -3.601 292 3HD1 LEU 45 3HD1 LEU 45 -4.123 9.895 -2.099 293 1HD2 LEU 45 1HD2 LEU 45 -4.598 6.326 -1.447 294 2HD2 LEU 45 2HD2 LEU 45 -4.616 7.553 -0.159 295 3HD2 LEU 45 3HD2 LEU 45 -6.122 6.721 -0.617 296 H ALA 46 H ALA 46 -9.043 6.448 -0.890 297 HA ALA 46 HA ALA 46 -9.120 6.646 1.981 298 1HB ALA 46 1HB ALA 46 -10.727 5.030 1.822 299 2HB ALA 46 2HB ALA 46 -10.766 5.543 0.118 300 3HB ALA 46 3HB ALA 46 -9.827 4.108 0.594 301 H CYS 47 H CYS 47 -7.008 6.574 2.785 302 HA CYS 47 HA CYS 47 -5.224 4.553 1.803 303 1HB CYS 47 1HB CYS 47 -5.069 6.927 3.509 304 2HB CYS 47 2HB CYS 47 -4.016 5.597 4.025 305 H ASN 48 H ASN 48 -4.186 2.979 3.391 306 HA ASN 48 HA ASN 48 -6.180 2.177 5.362 307 1HB ASN 48 1HB ASN 48 -5.566 0.691 3.233 308 2HB ASN 48 2HB ASN 48 -4.156 0.240 4.199 309 1HD2 ASN 48 1HD2 ASN 48 -4.444 -0.803 6.189 310 2HD2 ASN 48 2HD2 ASN 48 -5.887 -1.679 6.577 311 HA PRO 49 HA PRO 49 -2.235 3.094 7.479 312 1HB PRO 49 1HB PRO 49 -3.256 4.665 9.467 313 2HB PRO 49 2HB PRO 49 -2.608 5.315 7.962 314 1HG PRO 49 1HG PRO 49 -5.406 4.967 8.828 315 2HG PRO 49 2HG PRO 49 -4.754 6.045 7.542 316 1HD PRO 49 1HD PRO 49 -6.165 3.569 7.248 317 2HD PRO 49 2HD PRO 49 -5.405 4.511 5.957 318 H ALA 50 H ALA 50 -4.286 0.899 7.678 319 HA ALA 50 HA ALA 50 -3.605 0.219 10.457 320 1HB ALA 50 1HB ALA 50 -5.789 -0.059 10.898 321 2HB ALA 50 2HB ALA 50 -6.172 0.583 9.283 322 3HB ALA 50 3HB ALA 50 -5.956 -1.168 9.516 323 H ASP 51 H ASP 51 -2.786 -0.293 7.328 324 HA ASP 51 HA ASP 51 -3.054 -2.782 6.584 325 1HB ASP 51 1HB ASP 51 -0.738 -2.721 5.701 326 2HB ASP 51 2HB ASP 51 -1.567 -1.175 5.451 327 HD2 ASP 51 HD2 ASP 51 0.690 0.518 7.439 328 H PHE 52 H PHE 52 -0.852 -1.611 9.211 329 HA PHE 52 HA PHE 52 -0.109 -2.651 11.029 330 1HB PHE 52 1HB PHE 52 -2.279 -4.212 10.260 331 2HB PHE 52 2HB PHE 52 -0.973 -5.397 10.154 332 HD1 PHE 52 1HD PHE 52 -2.044 -2.707 12.525 333 HD2 PHE 52 2HD PHE 52 -0.731 -6.710 12.020 334 HE1 PHE 52 1HE PHE 52 -2.197 -3.069 15.004 335 HE2 PHE 52 2HE PHE 52 -0.884 -7.074 14.499 336 HZ PHE 52 HZ PHE 52 -1.616 -5.249 15.961 337 H SER 53 H SER 53 0.366 -3.886 7.780 338 HA SER 53 HA SER 53 2.464 -5.637 8.399 339 1HB SER 53 1HB SER 53 1.396 -4.323 5.915 340 2HB SER 53 2HB SER 53 2.979 -5.114 5.832 341 HG SER 53 HG SER 53 0.399 -6.253 6.422 342 H SER 54 H SER 54 4.796 -5.313 7.859 343 HA SER 54 HA SER 54 5.652 -2.623 7.471 344 1HB SER 54 1HB SER 54 7.097 -2.632 9.542 345 2HB SER 54 2HB SER 54 5.359 -2.494 9.867 346 HG SER 54 HG SER 54 6.630 -5.069 9.835 347 H VAL 55 H VAL 55 7.984 -2.527 6.961 348 HA VAL 55 HA VAL 55 9.273 -5.136 6.722 349 HB VAL 55 HB VAL 55 8.400 -5.023 4.591 350 1HG1 VAL 55 1HG1 VAL 55 7.412 -2.751 4.849 351 2HG1 VAL 55 2HG1 VAL 55 8.999 -2.049 4.449 352 3HG1 VAL 55 3HG1 VAL 55 8.130 -3.029 3.243 353 1HG2 VAL 55 1HG2 VAL 55 11.044 -3.540 4.380 354 2HG2 VAL 55 2HG2 VAL 55 10.837 -5.303 4.513 355 3HG2 VAL 55 3HG2 VAL 55 10.244 -4.444 3.072 356 H THR 56 H THR 56 11.673 -4.810 6.111 357 HA THR 56 HA THR 56 12.615 -2.384 7.491 358 HB THR 56 HB THR 56 13.432 -5.295 7.503 359 HG1 THR 56 1HG THR 56 13.469 -4.683 9.757 360 1HG2 THR 56 1HG2 THR 56 15.271 -2.898 8.000 361 2HG2 THR 56 2HG2 THR 56 15.589 -4.529 8.635 362 3HG2 THR 56 3HG2 THR 56 15.562 -4.249 6.878 363 H ALA 57 H ALA 57 14.462 -1.281 6.688 364 HA ALA 57 HA ALA 57 14.574 -1.378 3.815 365 1HB ALA 57 1HB ALA 57 15.131 0.790 4.065 366 2HB ALA 57 2HB ALA 57 14.852 0.575 5.810 367 3HB ALA 57 3HB ALA 57 16.490 0.383 5.141 368 H ASP 58 H ASP 58 16.707 -1.434 2.654 369 HA ASP 58 HA ASP 58 18.512 -3.234 4.072 370 1HB ASP 58 1HB ASP 58 19.108 -3.979 1.653 371 2HB ASP 58 2HB ASP 58 17.586 -4.560 2.348 372 HD2 ASP 58 HD2 ASP 58 16.323 -3.531 -0.697 373 H ALA 59 H ALA 59 20.538 -2.291 4.363 374 HA ALA 59 HA ALA 59 22.009 -0.568 4.289 375 1HB ALA 59 1HB ALA 59 23.301 -0.759 2.068 376 2HB ALA 59 2HB ALA 59 23.118 -2.245 3.028 377 3HB ALA 59 3HB ALA 59 22.087 -1.974 1.603 378 H ASN 60 H ASN 60 21.302 -0.253 0.804 379 HA ASN 60 HA ASN 60 21.403 2.337 0.571 380 1HB ASN 60 1HB ASN 60 20.348 0.273 -0.962 381 2HB ASN 60 2HB ASN 60 18.938 1.323 -0.756 382 1HD2 ASN 60 1HD2 ASN 60 19.890 0.959 -3.224 383 2HD2 ASN 60 2HD2 ASN 60 20.702 2.364 -3.828 384 H GLY 61 H GLY 61 18.528 0.478 1.761 385 1HA GLY 61 1HA GLY 61 17.372 1.562 3.654 386 2HA GLY 61 2HA GLY 61 17.342 3.025 2.690 387 H SER 62 H SER 62 17.055 0.271 0.667 388 HA SER 62 HA SER 62 14.303 0.912 0.231 389 1HB SER 62 1HB SER 62 16.412 -0.711 -1.152 390 2HB SER 62 2HB SER 62 14.719 -1.100 -1.504 391 HG SER 62 HG SER 62 15.333 0.453 -3.005 392 H ALA 63 H ALA 63 12.535 -0.312 0.886 393 HA ALA 63 HA ALA 63 12.932 -2.280 2.859 394 1HB ALA 63 1HB ALA 63 10.313 -2.206 1.488 395 2HB ALA 63 2HB ALA 63 10.712 -1.964 3.206 396 3HB ALA 63 3HB ALA 63 10.889 -0.619 2.053 397 H SER 64 H SER 64 12.188 -4.559 2.759 398 HA SER 64 HA SER 64 11.915 -5.681 0.153 399 1HB SER 64 1HB SER 64 13.852 -7.345 0.698 400 2HB SER 64 2HB SER 64 14.261 -5.751 0.036 401 HG SER 64 HG SER 64 15.151 -5.156 1.929 402 H THR 65 H THR 65 10.119 -6.926 0.571 403 HA THR 65 HA THR 65 10.216 -9.183 2.161 404 HB THR 65 HB THR 65 10.139 -6.979 3.822 405 HG1 THR 65 1HG THR 65 9.743 -8.684 5.273 406 1HG2 THR 65 1HG2 THR 65 7.836 -6.929 4.770 407 2HG2 THR 65 2HG2 THR 65 7.818 -6.361 3.083 408 3HG2 THR 65 3HG2 THR 65 7.274 -8.010 3.473 409 H SER 66 H SER 66 7.856 -10.032 2.604 410 HA SER 66 HA SER 66 6.536 -9.636 0.086 411 1HB SER 66 1HB SER 66 5.966 -11.545 2.389 412 2HB SER 66 2HB SER 66 5.139 -11.579 0.820 413 HG SER 66 HG SER 66 7.074 -12.182 -0.191 414 H LEU 67 H LEU 67 4.870 -8.195 -0.158 415 HA LEU 67 HA LEU 67 3.582 -7.224 2.274 416 1HB LEU 67 1HB LEU 67 3.945 -6.164 -0.498 417 2HB LEU 67 2HB LEU 67 2.670 -5.521 0.550 418 HG LEU 67 HG LEU 67 5.445 -4.849 0.434 419 1HD1 LEU 67 1HD1 LEU 67 4.545 -3.255 2.353 420 2HD1 LEU 67 2HD1 LEU 67 4.066 -3.045 0.653 421 3HD1 LEU 67 3HD1 LEU 67 2.972 -3.869 1.790 422 1HD2 LEU 67 1HD2 LEU 67 5.716 -6.678 2.108 423 2HD2 LEU 67 2HD2 LEU 67 6.166 -5.064 2.712 424 3HD2 LEU 67 3HD2 LEU 67 4.613 -5.793 3.189 425 H THR 68 H THR 68 1.281 -7.178 2.495 426 HA THR 68 HA THR 68 0.011 -9.347 1.017 427 HB THR 68 HB THR 68 -0.180 -9.486 3.426 428 HG1 THR 68 1HG THR 68 -2.225 -9.889 2.521 429 1HG2 THR 68 1HG2 THR 68 -0.002 -7.551 4.642 430 2HG2 THR 68 2HG2 THR 68 -0.391 -6.550 3.221 431 3HG2 THR 68 3HG2 THR 68 -1.701 -7.244 4.206 432 H VAL 69 H VAL 69 -0.246 -8.373 -1.043 433 HA VAL 69 HA VAL 69 -1.498 -5.872 -1.346 434 HB VAL 69 HB VAL 69 -1.400 -8.177 -3.296 435 1HG1 VAL 69 1HG1 VAL 69 -0.996 -5.679 -4.559 436 2HG1 VAL 69 2HG1 VAL 69 -2.410 -6.752 -4.682 437 3HG1 VAL 69 3HG1 VAL 69 -2.373 -5.466 -3.451 438 1HG2 VAL 69 1HG2 VAL 69 0.686 -6.156 -3.594 439 2HG2 VAL 69 2HG2 VAL 69 0.797 -7.018 -2.039 440 3HG2 VAL 69 3HG2 VAL 69 0.809 -7.932 -3.567 441 H ARG 70 H ARG 70 -3.189 -6.341 0.411 442 HA ARG 70 HA ARG 70 -5.227 -8.154 -0.249 443 1HB ARG 70 1HB ARG 70 -6.477 -6.715 1.573 444 2HB ARG 70 2HB ARG 70 -5.080 -7.687 2.062 445 1HG ARG 70 1HG ARG 70 -4.265 -5.053 1.099 446 2HG ARG 70 2HG ARG 70 -5.434 -4.906 2.424 447 1HD ARG 70 1HD ARG 70 -3.965 -5.745 3.965 448 2HD ARG 70 2HD ARG 70 -3.303 -6.947 2.848 449 HE ARG 70 HE ARG 70 -2.223 -4.751 1.780 450 1HH1 ARG 70 1HH1 ARG 70 -2.623 -5.509 5.193 451 2HH1 ARG 70 2HH1 ARG 70 -1.247 -4.585 5.691 452 1HH2 ARG 70 1HH2 ARG 70 -0.405 -3.531 2.437 453 2HH2 ARG 70 2HH2 ARG 70 0.024 -3.452 4.113 454 H ARG 71 H ARG 71 -7.217 -7.794 -1.305 455 HA ARG 71 HA ARG 71 -7.327 -5.365 -2.804 456 1HB ARG 71 1HB ARG 71 -7.825 -7.480 -3.932 457 2HB ARG 71 2HB ARG 71 -9.113 -7.848 -2.772 458 1HG ARG 71 1HG ARG 71 -9.908 -5.384 -3.662 459 2HG ARG 71 2HG ARG 71 -9.111 -6.007 -5.119 460 1HD ARG 71 1HD ARG 71 -11.333 -7.378 -3.537 461 2HD ARG 71 2HD ARG 71 -11.519 -6.593 -5.113 462 HE ARG 71 HE ARG 71 -9.449 -8.565 -5.286 463 1HH1 ARG 71 1HH1 ARG 71 -12.942 -8.345 -4.923 464 2HH1 ARG 71 2HH1 ARG 71 -13.245 -9.878 -5.670 465 1HH2 ARG 71 1HH2 ARG 71 -9.847 -10.588 -6.271 466 2HH2 ARG 71 2HH2 ARG 71 -11.472 -11.162 -6.442 467 H SER 72 H SER 72 -9.833 -7.259 -0.948 468 HA SER 72 HA SER 72 -11.443 -4.992 -0.621 469 1HB SER 72 1HB SER 72 -11.677 -7.769 -0.259 470 2HB SER 72 2HB SER 72 -11.931 -7.092 1.359 471 HG SER 72 HG SER 72 -13.693 -7.235 -0.642 472 H PHE 73 H PHE 73 -10.554 -3.262 0.516 473 HA PHE 73 HA PHE 73 -9.753 -3.863 3.267 474 1HB PHE 73 1HB PHE 73 -8.153 -2.962 1.052 475 2HB PHE 73 2HB PHE 73 -8.392 -1.544 2.079 476 HD1 PHE 73 1HD PHE 73 -8.239 -4.965 3.416 477 HD2 PHE 73 2HD PHE 73 -6.087 -1.373 2.725 478 HE1 PHE 73 1HE PHE 73 -6.406 -5.771 4.930 479 HE2 PHE 73 2HE PHE 73 -4.254 -2.180 4.239 480 HZ PHE 73 HZ PHE 73 -4.436 -4.369 5.324 481 H GLU 74 H GLU 74 -9.949 -1.977 4.744 482 HA GLU 74 HA GLU 74 -12.187 -0.355 3.873 483 1HB GLU 74 1HB GLU 74 -12.370 0.177 6.339 484 2HB GLU 74 2HB GLU 74 -12.586 -1.535 5.939 485 1HG GLU 74 1HG GLU 74 -9.778 -0.985 6.384 486 2HG GLU 74 2HG GLU 74 -10.711 -0.366 7.755 487 HE2 GLU 74 HE2 GLU 74 -11.248 -4.253 7.014 488 H GLY 75 H GLY 75 -10.867 1.073 2.508 489 1HA GLY 75 1HA GLY 75 -8.681 2.542 3.577 490 2HA GLY 75 2HA GLY 75 -9.554 2.858 2.091 491 H PHE 76 H PHE 76 -8.589 4.759 4.208 492 HA PHE 76 HA PHE 76 -11.207 5.877 4.931 493 1HB PHE 76 1HB PHE 76 -8.454 5.824 6.269 494 2HB PHE 76 2HB PHE 76 -9.678 6.997 6.768 495 HD1 PHE 76 1HD PHE 76 -10.871 6.427 8.644 496 HD2 PHE 76 2HD PHE 76 -9.471 3.316 6.120 497 HE1 PHE 76 1HE PHE 76 -11.845 4.721 10.207 498 HE2 PHE 76 2HE PHE 76 -10.444 1.611 7.683 499 HZ PHE 76 HZ PHE 76 -11.620 2.333 9.708 500 H LEU 77 H LEU 77 -11.658 7.918 4.199 501 HA LEU 77 HA LEU 77 -10.396 9.100 2.172 502 1HB LEU 77 1HB LEU 77 -12.022 10.157 4.432 503 2HB LEU 77 2HB LEU 77 -11.296 11.302 3.289 504 HG LEU 77 HG LEU 77 -12.454 10.039 1.444 505 1HD1 LEU 77 1HD1 LEU 77 -14.517 8.726 2.313 506 2HD1 LEU 77 2HD1 LEU 77 -12.929 7.921 2.254 507 3HD1 LEU 77 3HD1 LEU 77 -13.558 8.537 3.802 508 1HD2 LEU 77 1HD2 LEU 77 -13.389 12.034 3.136 509 2HD2 LEU 77 2HD2 LEU 77 -14.051 11.585 1.546 510 3HD2 LEU 77 3HD2 LEU 77 -14.745 10.886 3.028 511 H PHE 78 H PHE 78 -9.882 10.263 5.581 512 HA PHE 78 HA PHE 78 -7.286 10.085 5.891 513 1HB PHE 78 1HB PHE 78 -6.510 11.079 3.912 514 2HB PHE 78 2HB PHE 78 -7.985 12.030 3.699 515 HD1 PHE 78 1HD PHE 78 -8.232 14.180 4.898 516 HD2 PHE 78 2HD PHE 78 -4.614 11.965 5.039 517 HE1 PHE 78 1HE PHE 78 -7.018 16.216 5.723 518 HE2 PHE 78 2HE PHE 78 -3.400 14.002 5.864 519 HZ PHE 78 HZ PHE 78 -4.617 16.102 6.196 520 H ASP 79 H ASP 79 -10.151 12.117 5.970 521 HA ASP 79 HA ASP 79 -9.048 13.753 8.061 522 1HB ASP 79 1HB ASP 79 -11.398 13.783 6.269 523 2HB ASP 79 2HB ASP 79 -11.781 14.301 7.917 524 HD2 ASP 79 HD2 ASP 79 -10.816 17.229 6.062 525 H GLY 80 H GLY 80 -11.354 11.067 7.472 526 1HA GLY 80 1HA GLY 80 -11.200 9.891 9.935 527 2HA GLY 80 2HA GLY 80 -12.481 11.072 10.109 528 H THR 81 H THR 81 -13.159 10.868 7.131 529 HA THR 81 HA THR 81 -15.085 8.788 7.409 530 HB THR 81 HB THR 81 -14.245 10.486 4.999 531 HG1 THR 81 1HG THR 81 -15.378 12.025 6.127 532 1HG2 THR 81 1HG2 THR 81 -16.421 8.520 5.503 533 2HG2 THR 81 2HG2 THR 81 -17.002 10.115 4.967 534 3HG2 THR 81 3HG2 THR 81 -15.853 9.204 3.960 535 H ARG 82 H ARG 82 -15.384 6.964 5.929 536 HA ARG 82 HA ARG 82 -13.081 6.124 4.496 537 1HB ARG 82 1HB ARG 82 -12.816 3.974 5.743 538 2HB ARG 82 2HB ARG 82 -12.439 5.374 6.762 539 1HG ARG 82 1HG ARG 82 -14.059 4.805 8.220 540 2HG ARG 82 2HG ARG 82 -15.277 4.745 6.934 541 1HD ARG 82 1HD ARG 82 -14.241 2.428 6.354 542 2HD ARG 82 2HD ARG 82 -13.466 2.517 7.942 543 HE ARG 82 HE ARG 82 -16.323 3.079 8.060 544 1HH1 ARG 82 1HH1 ARG 82 -13.945 0.487 7.942 545 2HH1 ARG 82 2HH1 ARG 82 -14.983 -0.672 8.703 546 1HH2 ARG 82 1HH2 ARG 82 -17.692 1.549 9.065 547 2HH2 ARG 82 2HH2 ARG 82 -17.128 -0.064 9.346 548 H TRP 83 H TRP 83 -13.562 4.173 3.158 549 HA TRP 83 HA TRP 83 -16.373 4.057 2.533 550 1HB TRP 83 1HB TRP 83 -14.086 2.566 1.257 551 2HB TRP 83 2HB TRP 83 -15.700 2.832 0.594 552 HD1 TRP 83 HD TRP 83 -12.279 4.403 0.704 553 HE1 TRP 83 1HE TRP 83 -12.190 6.725 -0.547 554 HE3 TRP 83 3HE TRP 83 -17.314 4.928 0.216 555 HZ2 TRP 83 2HZ TRP 83 -14.190 8.480 -1.578 556 HZ3 TRP 83 3HZ TRP 83 -18.163 6.974 -0.925 557 HH2 TRP 83 HH TRP 83 -16.691 8.716 -1.806 558 H GLY 84 H GLY 84 -13.711 1.776 3.508 559 1HA GLY 84 1HA GLY 84 -13.849 0.034 4.982 560 2HA GLY 84 2HA GLY 84 -15.582 0.259 5.116 561 H THR 85 H THR 85 -13.739 -2.167 4.514 562 HA THR 85 HA THR 85 -13.529 -3.802 2.942 563 HB THR 85 HB THR 85 -15.704 -3.978 4.492 564 HG1 THR 85 1HG THR 85 -15.028 -5.394 2.017 565 1HG2 THR 85 1HG2 THR 85 -17.747 -3.788 3.451 566 2HG2 THR 85 2HG2 THR 85 -16.887 -2.775 2.266 567 3HG2 THR 85 3HG2 THR 85 -17.132 -4.510 1.944 568 H VAL 86 H VAL 86 -13.164 -1.393 1.592 569 HA VAL 86 HA VAL 86 -14.928 -1.405 -0.686 570 HB VAL 86 HB VAL 86 -13.643 0.550 0.564 571 1HG1 VAL 86 1HG1 VAL 86 -11.398 -0.375 0.068 572 2HG1 VAL 86 2HG1 VAL 86 -11.717 -0.170 -1.671 573 3HG1 VAL 86 3HG1 VAL 86 -11.632 1.256 -0.608 574 1HG2 VAL 86 1HG2 VAL 86 -14.028 1.951 -1.354 575 2HG2 VAL 86 2HG2 VAL 86 -13.954 0.554 -2.455 576 3HG2 VAL 86 3HG2 VAL 86 -15.305 0.711 -1.307 577 H ASP 87 H ASP 87 -14.500 -2.240 -2.719 578 HA ASP 87 HA ASP 87 -12.570 -4.279 -2.798 579 1HB ASP 87 1HB ASP 87 -14.757 -3.250 -4.451 580 2HB ASP 87 2HB ASP 87 -13.377 -3.730 -5.451 581 HD2 ASP 87 HD2 ASP 87 -14.437 -6.834 -3.314 582 H CYS 88 H CYS 88 -10.392 -3.606 -2.837 583 HA CYS 88 HA CYS 88 -9.425 -1.241 -3.734 584 1HB CYS 88 1HB CYS 88 -8.302 -3.939 -3.313 585 2HB CYS 88 2HB CYS 88 -7.322 -2.826 -4.286 586 H THR 89 H THR 89 -10.186 -4.251 -5.549 587 HA THR 89 HA THR 89 -9.018 -3.467 -7.988 588 HB THR 89 HB THR 89 -10.216 -5.737 -6.887 589 HG1 THR 89 1HG THR 89 -8.595 -5.204 -8.731 590 1HG2 THR 89 1HG2 THR 89 -12.497 -4.984 -7.570 591 2HG2 THR 89 2HG2 THR 89 -11.904 -4.690 -9.222 592 3HG2 THR 89 3HG2 THR 89 -11.960 -6.348 -8.579 593 H THR 90 H THR 90 -12.081 -2.648 -6.408 594 HA THR 90 HA THR 90 -13.296 -1.662 -8.799 595 HB THR 90 HB THR 90 -13.877 -1.385 -5.806 596 HG1 THR 90 1HG THR 90 -15.434 -3.022 -6.463 597 1HG2 THR 90 1HG2 THR 90 -15.363 -0.404 -8.276 598 2HG2 THR 90 2HG2 THR 90 -16.259 -0.915 -6.824 599 3HG2 THR 90 3HG2 THR 90 -15.109 0.440 -6.730 600 H ALA 91 H ALA 91 -11.081 -0.377 -6.358 601 HA ALA 91 HA ALA 91 -11.258 2.208 -7.749 602 1HB ALA 91 1HB ALA 91 -10.231 2.930 -5.387 603 2HB ALA 91 2HB ALA 91 -11.988 2.790 -5.639 604 3HB ALA 91 3HB ALA 91 -11.095 1.470 -4.846 605 H ALA 92 H ALA 92 -9.661 -0.314 -8.315 606 HA ALA 92 HA ALA 92 -7.501 -1.001 -8.425 607 1HB ALA 92 1HB ALA 92 -8.207 1.206 -10.100 608 2HB ALA 92 2HB ALA 92 -6.496 1.399 -9.646 609 3HB ALA 92 3HB ALA 92 -7.045 -0.101 -10.429 610 H CYS 93 H CYS 93 -7.696 -0.439 -5.823 611 HA CYS 93 HA CYS 93 -6.330 1.682 -4.785 612 1HB CYS 93 1HB CYS 93 -6.561 0.667 -2.825 613 2HB CYS 93 2HB CYS 93 -7.601 -0.439 -3.741 614 H GLN 94 H GLN 94 -4.101 0.981 -3.366 615 HA GLN 94 HA GLN 94 -2.304 -0.359 -5.181 616 1HB GLN 94 1HB GLN 94 -0.650 1.624 -4.750 617 2HB GLN 94 2HB GLN 94 -1.882 1.791 -6.015 618 1HG GLN 94 1HG GLN 94 -2.337 2.722 -3.158 619 2HG GLN 94 2HG GLN 94 -1.585 3.772 -4.371 620 1HE2 GLN 94 1HE2 GLN 94 -2.782 4.006 -6.435 621 2HE2 GLN 94 2HE2 GLN 94 -4.508 4.138 -6.385 622 H VAL 95 H VAL 95 -0.084 -0.694 -4.099 623 HA VAL 95 HA VAL 95 -0.377 -0.714 -1.180 624 HB VAL 95 HB VAL 95 0.676 -2.956 -2.915 625 1HG1 VAL 95 1HG1 VAL 95 1.052 -2.314 -0.112 626 2HG1 VAL 95 2HG1 VAL 95 0.208 -3.870 -0.300 627 3HG1 VAL 95 3HG1 VAL 95 1.782 -3.610 -1.089 628 1HG2 VAL 95 1HG2 VAL 95 -1.978 -2.316 -2.361 629 2HG2 VAL 95 2HG2 VAL 95 -1.357 -3.892 -2.907 630 3HG2 VAL 95 3HG2 VAL 95 -1.579 -3.576 -1.168 631 H GLY 96 H GLY 96 1.099 0.757 -0.490 632 1HA GLY 96 1HA GLY 96 3.765 0.674 -1.774 633 2HA GLY 96 2HA GLY 96 2.990 2.148 -1.229 634 H LEU 97 H LEU 97 5.025 2.400 0.078 635 HA LEU 97 HA LEU 97 4.825 0.823 2.550 636 1HB LEU 97 1HB LEU 97 7.079 1.430 0.797 637 2HB LEU 97 2HB LEU 97 7.389 1.787 2.504 638 HG LEU 97 HG LEU 97 8.163 -0.437 1.921 639 1HD1 LEU 97 1HD1 LEU 97 6.354 -1.697 3.510 640 2HD1 LEU 97 2HD1 LEU 97 7.670 -0.655 4.102 641 3HD1 LEU 97 3HD1 LEU 97 6.029 0.007 3.910 642 1HD2 LEU 97 1HD2 LEU 97 5.721 -0.552 0.421 643 2HD2 LEU 97 2HD2 LEU 97 7.110 -1.666 0.407 644 3HD2 LEU 97 3HD2 LEU 97 5.778 -1.917 1.561 645 H SER 98 H SER 98 5.770 2.082 4.491 646 HA SER 98 HA SER 98 5.481 4.926 4.176 647 1HB SER 98 1HB SER 98 3.403 3.232 5.306 648 2HB SER 98 2HB SER 98 3.997 4.374 6.525 649 HG SER 98 HG SER 98 2.362 5.444 5.428 650 H ASP 99 H ASP 99 6.544 6.113 5.892 651 HA ASP 99 HA ASP 99 8.191 4.366 7.539 652 1HB ASP 99 1HB ASP 99 9.255 6.955 7.674 653 2HB ASP 99 2HB ASP 99 9.878 5.623 6.689 654 HD2 ASP 99 HD2 ASP 99 9.458 7.791 4.063 655 H ALA 100 H ALA 100 8.996 5.879 9.611 656 HA ALA 100 HA ALA 100 6.515 6.602 10.931 657 1HB ALA 100 1HB ALA 100 8.412 5.064 11.839 658 2HB ALA 100 2HB ALA 100 9.278 6.585 12.163 659 3HB ALA 100 3HB ALA 100 7.704 6.276 12.934 660 H ALA 101 H ALA 101 7.529 8.306 8.746 661 HA ALA 101 HA ALA 101 7.504 10.778 10.214 662 1HB ALA 101 1HB ALA 101 9.730 10.811 8.302 663 2HB ALA 101 2HB ALA 101 9.666 11.385 9.985 664 3HB ALA 101 3HB ALA 101 9.997 9.671 9.642 665 H GLY 102 H GLY 102 7.925 9.032 7.079 666 1HA GLY 102 1HA GLY 102 6.835 11.222 5.554 667 2HA GLY 102 2HA GLY 102 7.285 9.629 4.978 668 H ASN 103 H ASN 103 5.777 7.840 6.395 669 HA ASN 103 HA ASN 103 3.823 6.872 6.115 670 1HB ASN 103 1HB ASN 103 2.279 7.567 7.745 671 2HB ASN 103 2HB ASN 103 3.746 8.386 8.301 672 1HD2 ASN 103 1HD2 ASN 103 4.068 10.602 7.695 673 2HD2 ASN 103 2HD2 ASN 103 2.719 11.659 7.445 674 H GLY 104 H GLY 104 1.128 7.994 5.945 675 1HA GLY 104 1HA GLY 104 -0.310 9.096 4.569 676 2HA GLY 104 2HA GLY 104 1.036 9.896 3.783 677 HA PRO 105 HA PRO 105 -0.450 6.768 0.865 678 1HB PRO 105 1HB PRO 105 -0.738 8.417 -1.291 679 2HB PRO 105 2HB PRO 105 -2.061 8.020 -0.200 680 1HG PRO 105 1HG PRO 105 -0.444 10.478 -0.403 681 2HG PRO 105 2HG PRO 105 -2.063 10.260 0.353 682 1HD PRO 105 1HD PRO 105 0.480 10.543 1.640 683 2HD PRO 105 2HD PRO 105 -1.062 10.170 2.421 684 H GLU 106 H GLU 106 0.461 5.902 -1.184 685 HA GLU 106 HA GLU 106 3.158 6.938 -1.508 686 1HB GLU 106 1HB GLU 106 3.389 5.010 -0.055 687 2HB GLU 106 2HB GLU 106 2.387 4.014 -1.125 688 1HG GLU 106 1HG GLU 106 4.279 3.393 -2.179 689 2HG GLU 106 2HG GLU 106 4.439 5.052 -2.777 690 HE2 GLU 106 HE2 GLU 106 6.832 5.819 -0.325 691 H GLY 107 H GLY 107 1.493 4.026 -2.866 692 1HA GLY 107 1HA GLY 107 0.353 4.858 -5.122 693 2HA GLY 107 2HA GLY 107 2.046 4.997 -5.552 694 H VAL 108 H VAL 108 1.614 3.303 -7.188 695 HA VAL 108 HA VAL 108 2.149 1.208 -7.795 696 HB VAL 108 HB VAL 108 1.738 0.214 -4.985 697 1HG1 VAL 108 1HG1 VAL 108 2.266 -1.699 -6.027 698 2HG1 VAL 108 2HG1 VAL 108 2.796 -0.850 -7.498 699 3HG1 VAL 108 3HG1 VAL 108 3.921 -1.055 -6.133 700 1HG2 VAL 108 1HG2 VAL 108 3.400 1.490 -4.222 701 2HG2 VAL 108 2HG2 VAL 108 4.496 0.667 -5.359 702 3HG2 VAL 108 3HG2 VAL 108 3.681 2.175 -5.841 703 H ALA 109 H ALA 109 0.025 1.752 -8.834 704 HA ALA 109 HA ALA 109 -2.371 0.861 -7.623 705 1HB ALA 109 1HB ALA 109 -2.522 2.572 -9.264 706 2HB ALA 109 2HB ALA 109 -1.539 1.653 -10.430 707 3HB ALA 109 3HB ALA 109 -3.194 1.122 -10.047 708 H ILE 110 H ILE 110 -2.590 -1.262 -7.049 709 HA ILE 110 HA ILE 110 -1.584 -3.262 -8.928 710 HB ILE 110 HB ILE 110 -2.130 -3.183 -6.001 711 1HG1 ILE 110 1HG1 ILE 110 0.039 -4.818 -7.123 712 2HG1 ILE 110 2HG1 ILE 110 0.144 -3.093 -7.520 713 1HG2 ILE 110 1HG2 ILE 110 -2.748 -5.470 -7.764 714 2HG2 ILE 110 2HG2 ILE 110 -1.720 -5.841 -6.359 715 3HG2 ILE 110 3HG2 ILE 110 -3.316 -5.090 -6.121 716 1HD1 ILE 110 1HD1 ILE 110 1.078 -4.203 -5.195 717 2HD1 ILE 110 2HD1 ILE 110 0.569 -2.504 -5.343 718 3HD1 ILE 110 3HD1 ILE 110 -0.559 -3.717 -4.692 719 H SER 111 H SER 111 -2.964 -4.177 -10.343 720 HA SER 111 HA SER 111 -5.751 -3.671 -10.004 721 1HB SER 111 1HB SER 111 -4.062 -4.002 -12.176 722 2HB SER 111 2HB SER 111 -4.960 -5.529 -12.163 723 HG SER 111 HG SER 111 -5.767 -3.163 -13.116 724 H PHE 112 H PHE 112 -6.702 -4.924 -8.396 725 HA PHE 112 HA PHE 112 -5.889 -7.646 -8.029 726 1HB PHE 112 1HB PHE 112 -8.252 -6.002 -6.953 727 2HB PHE 112 2HB PHE 112 -7.643 -7.496 -6.233 728 HD1 PHE 112 1HD PHE 112 -6.878 -3.939 -6.856 729 HD2 PHE 112 2HD PHE 112 -5.779 -7.461 -4.759 730 HE1 PHE 112 1HE PHE 112 -5.333 -2.594 -5.406 731 HE2 PHE 112 2HE PHE 112 -4.234 -6.116 -3.310 732 HZ PHE 112 HZ PHE 112 -4.029 -3.698 -3.650 733 H ASN 113 H ASN 113 -7.413 -6.462 -10.570 734 HA ASN 113 HA ASN 113 -8.594 -8.778 -11.320 735 1HB ASN 113 1HB ASN 113 -10.237 -7.588 -9.399 736 2HB ASN 113 2HB ASN 113 -10.967 -7.041 -10.915 737 1HD2 ASN 113 1HD2 ASN 113 -11.719 -8.559 -12.414 738 2HD2 ASN 113 2HD2 ASN 113 -12.126 -10.183 -11.969 Start of MODEL 30 1 H ALA 1 H ALA 1 14.241 8.430 -11.726 2 HA ALA 1 HA ALA 1 14.033 7.371 -9.743 3 1HB ALA 1 1HB ALA 1 16.395 7.978 -9.941 4 2HB ALA 1 2HB ALA 1 16.078 9.557 -9.180 5 3HB ALA 1 3HB ALA 1 15.895 8.061 -8.233 6 H ALA 2 H ALA 2 12.391 7.308 -8.300 7 HA ALA 2 HA ALA 2 11.990 9.589 -6.565 8 1HB ALA 2 1HB ALA 2 10.322 9.041 -8.894 9 2HB ALA 2 2HB ALA 2 9.381 8.939 -7.386 10 3HB ALA 2 3HB ALA 2 10.284 10.423 -7.772 11 HA PRO 3 HA PRO 3 10.903 6.398 -3.857 12 1HB PRO 3 1HB PRO 3 9.181 7.613 -2.118 13 2HB PRO 3 2HB PRO 3 10.932 7.800 -2.030 14 1HG PRO 3 1HG PRO 3 8.874 9.655 -3.046 15 2HG PRO 3 2HG PRO 3 10.556 10.023 -2.516 16 1HD PRO 3 1HD PRO 3 9.521 9.870 -5.182 17 2HD PRO 3 2HD PRO 3 11.215 10.077 -4.718 18 H THR 4 H THR 4 9.796 4.553 -4.022 19 HA THR 4 HA THR 4 7.004 4.519 -3.985 20 HB THR 4 HB THR 4 7.136 3.649 -6.611 21 HG1 THR 4 1HG THR 4 8.657 5.006 -7.626 22 1HG2 THR 4 1HG2 THR 4 6.854 6.566 -6.568 23 2HG2 THR 4 2HG2 THR 4 5.614 5.331 -6.896 24 3HG2 THR 4 3HG2 THR 4 5.954 5.829 -5.221 25 H ALA 5 H ALA 5 6.165 2.398 -3.917 26 HA ALA 5 HA ALA 5 8.253 0.440 -3.424 27 1HB ALA 5 1HB ALA 5 6.657 0.568 -1.681 28 2HB ALA 5 2HB ALA 5 5.291 0.655 -2.820 29 3HB ALA 5 3HB ALA 5 6.179 -0.874 -2.610 30 H THR 6 H THR 6 7.449 -1.943 -4.108 31 HA THR 6 HA THR 6 6.147 -1.958 -6.687 32 HB THR 6 HB THR 6 8.105 -2.838 -7.882 33 HG1 THR 6 1HG THR 6 9.964 -3.337 -6.644 34 1HG2 THR 6 1HG2 THR 6 9.664 -0.957 -7.798 35 2HG2 THR 6 2HG2 THR 6 8.026 -0.295 -7.583 36 3HG2 THR 6 3HG2 THR 6 9.095 -0.498 -6.175 37 H VAL 7 H VAL 7 5.472 -4.049 -7.352 38 HA VAL 7 HA VAL 7 5.885 -6.110 -5.306 39 HB VAL 7 HB VAL 7 3.257 -5.751 -6.705 40 1HG1 VAL 7 1HG1 VAL 7 4.232 -7.714 -5.060 41 2HG1 VAL 7 2HG1 VAL 7 3.379 -6.664 -3.903 42 3HG1 VAL 7 3HG1 VAL 7 2.508 -7.344 -5.298 43 1HG2 VAL 7 1HG2 VAL 7 3.665 -3.578 -5.705 44 2HG2 VAL 7 2HG2 VAL 7 2.447 -4.452 -4.746 45 3HG2 VAL 7 3HG2 VAL 7 4.124 -4.336 -4.162 46 H THR 8 H THR 8 5.947 -8.270 -6.100 47 HA THR 8 HA THR 8 7.194 -8.695 -8.471 48 HB THR 8 HB THR 8 5.724 -10.263 -6.435 49 HG1 THR 8 1HG THR 8 7.921 -10.592 -6.406 50 1HG2 THR 8 1HG2 THR 8 4.572 -11.088 -8.552 51 2HG2 THR 8 2HG2 THR 8 6.181 -11.464 -9.216 52 3HG2 THR 8 3HG2 THR 8 5.591 -12.322 -7.771 53 HA PRO 9 HA PRO 9 3.102 -9.320 -10.685 54 1HB PRO 9 1HB PRO 9 0.734 -8.827 -9.416 55 2HB PRO 9 2HB PRO 9 1.445 -10.435 -9.539 56 1HG PRO 9 1HG PRO 9 1.357 -8.569 -7.254 57 2HG PRO 9 2HG PRO 9 1.637 -10.348 -7.243 58 1HD PRO 9 1HD PRO 9 3.545 -8.242 -6.897 59 2HD PRO 9 2HD PRO 9 3.895 -9.969 -7.035 60 H SER 10 H SER 10 0.713 -7.787 -10.910 61 HA SER 10 HA SER 10 1.547 -5.093 -10.551 62 1HB SER 10 1HB SER 10 1.911 -4.438 -12.741 63 2HB SER 10 2HB SER 10 2.617 -6.064 -12.775 64 HG SER 10 HG SER 10 0.191 -5.085 -13.919 65 H SER 11 H SER 11 -0.689 -7.625 -11.575 66 HA SER 11 HA SER 11 -2.871 -6.085 -10.683 67 1HB SER 11 1HB SER 11 -4.152 -6.167 -12.849 68 2HB SER 11 2HB SER 11 -2.778 -5.046 -12.870 69 HG SER 11 HG SER 11 -3.296 -7.142 -14.520 70 H GLY 12 H GLY 12 -5.040 -7.442 -11.343 71 1HA GLY 12 1HA GLY 12 -6.151 -9.374 -11.067 72 2HA GLY 12 2HA GLY 12 -4.889 -10.127 -12.021 73 H LEU 13 H LEU 13 -4.337 -8.457 -8.890 74 HA LEU 13 HA LEU 13 -2.947 -10.692 -7.868 75 1HB LEU 13 1HB LEU 13 -3.993 -8.293 -6.379 76 2HB LEU 13 2HB LEU 13 -2.669 -9.366 -5.896 77 HG LEU 13 HG LEU 13 -2.733 -7.147 -7.891 78 1HD1 LEU 13 1HD1 LEU 13 -1.308 -7.858 -5.460 79 2HD1 LEU 13 2HD1 LEU 13 -0.195 -7.412 -6.775 80 3HD1 LEU 13 3HD1 LEU 13 -1.476 -6.283 -6.272 81 1HD2 LEU 13 1HD2 LEU 13 -0.658 -9.329 -8.119 82 2HD2 LEU 13 2HD2 LEU 13 -2.120 -9.281 -9.133 83 3HD2 LEU 13 3HD2 LEU 13 -0.946 -7.946 -9.202 84 H SER 14 H SER 14 -4.268 -10.148 -5.086 85 HA SER 14 HA SER 14 -6.847 -11.278 -5.401 86 1HB SER 14 1HB SER 14 -4.943 -13.166 -5.554 87 2HB SER 14 2HB SER 14 -5.046 -13.058 -3.788 88 HG SER 14 HG SER 14 -7.474 -13.241 -5.272 89 H ASP 15 H ASP 15 -7.948 -11.504 -3.236 90 HA ASP 15 HA ASP 15 -7.529 -9.354 -1.662 91 1HB ASP 15 1HB ASP 15 -9.568 -10.709 -1.601 92 2HB ASP 15 2HB ASP 15 -8.683 -12.081 -0.917 93 HD2 ASP 15 HD2 ASP 15 -9.625 -9.050 1.489 94 H GLY 16 H GLY 16 -5.299 -9.080 -1.021 95 1HA GLY 16 1HA GLY 16 -3.783 -9.230 0.712 96 2HA GLY 16 2HA GLY 16 -4.464 -10.768 1.206 97 H THR 17 H THR 17 -3.304 -9.673 -2.053 98 HA THR 17 HA THR 17 -1.988 -12.117 -2.546 99 HB THR 17 HB THR 17 -2.313 -9.415 -3.823 100 HG1 THR 17 1HG THR 17 -3.526 -11.593 -4.051 101 1HG2 THR 17 1HG2 THR 17 -0.756 -10.715 -5.675 102 2HG2 THR 17 2HG2 THR 17 -0.124 -9.453 -4.591 103 3HG2 THR 17 3HG2 THR 17 0.090 -11.171 -4.177 104 H VAL 18 H VAL 18 -0.791 -12.387 -0.508 105 HA VAL 18 HA VAL 18 1.306 -10.605 0.122 106 HB VAL 18 HB VAL 18 1.084 -13.521 0.865 107 1HG1 VAL 18 1HG1 VAL 18 1.899 -12.008 3.064 108 2HG1 VAL 18 2HG1 VAL 18 2.930 -13.024 2.026 109 3HG1 VAL 18 3HG1 VAL 18 2.764 -11.284 1.686 110 1HG2 VAL 18 1HG2 VAL 18 -0.686 -11.259 1.557 111 2HG2 VAL 18 2HG2 VAL 18 -0.974 -13.014 1.640 112 3HG2 VAL 18 3HG2 VAL 18 -0.087 -12.195 2.948 113 H VAL 19 H VAL 19 2.730 -10.163 -1.542 114 HA VAL 19 HA VAL 19 4.249 -12.484 -2.489 115 HB VAL 19 HB VAL 19 4.410 -11.192 -4.686 116 1HG1 VAL 19 1HG1 VAL 19 1.881 -11.991 -5.202 117 2HG1 VAL 19 2HG1 VAL 19 3.251 -13.115 -5.026 118 3HG1 VAL 19 3HG1 VAL 19 2.153 -12.827 -3.654 119 1HG2 VAL 19 1HG2 VAL 19 3.124 -9.201 -3.399 120 2HG2 VAL 19 2HG2 VAL 19 3.051 -9.434 -5.163 121 3HG2 VAL 19 3HG2 VAL 19 1.729 -10.031 -4.130 122 H LYS 20 H LYS 20 6.327 -11.464 -3.732 123 HA LYS 20 HA LYS 20 7.727 -10.111 -1.678 124 1HB LYS 20 1HB LYS 20 8.325 -11.639 -3.974 125 2HB LYS 20 2HB LYS 20 9.121 -10.070 -4.196 126 1HG LYS 20 1HG LYS 20 9.888 -10.384 -1.714 127 2HG LYS 20 2HG LYS 20 9.469 -12.089 -1.956 128 1HD LYS 20 1HD LYS 20 11.027 -12.242 -3.830 129 2HD LYS 20 2HD LYS 20 11.369 -10.505 -3.748 130 1HE LYS 20 1HE LYS 20 13.073 -11.017 -2.356 131 2HE LYS 20 2HE LYS 20 11.866 -11.456 -1.137 132 1HZ LYS 20 1HZ LYS 20 13.472 -13.213 -1.661 133 2HZ LYS 20 2HZ LYS 20 11.929 -13.678 -1.919 134 3HZ LYS 20 3HZ LYS 20 12.890 -13.298 -3.184 135 H VAL 21 H VAL 21 8.298 -7.964 -1.453 136 HA VAL 21 HA VAL 21 7.534 -6.163 -3.619 137 HB VAL 21 HB VAL 21 6.553 -6.088 -0.771 138 1HG1 VAL 21 1HG1 VAL 21 5.634 -3.790 -2.168 139 2HG1 VAL 21 2HG1 VAL 21 6.678 -3.863 -0.728 140 3HG1 VAL 21 3HG1 VAL 21 7.404 -3.846 -2.352 141 1HG2 VAL 21 1HG2 VAL 21 4.781 -7.013 -1.797 142 2HG2 VAL 21 2HG2 VAL 21 4.485 -5.386 -2.456 143 3HG2 VAL 21 3HG2 VAL 21 5.380 -6.587 -3.418 144 H ALA 22 H ALA 22 8.942 -4.435 -3.870 145 HA ALA 22 HA ALA 22 10.918 -4.031 -1.756 146 1HB ALA 22 1HB ALA 22 11.640 -4.385 -4.690 147 2HB ALA 22 2HB ALA 22 12.755 -4.169 -3.319 148 3HB ALA 22 3HB ALA 22 11.803 -5.666 -3.465 149 H GLY 23 H GLY 23 12.149 -1.937 -2.129 150 1HA GLY 23 1HA GLY 23 12.293 0.209 -2.932 151 2HA GLY 23 2HA GLY 23 10.879 -0.047 -3.935 152 H ALA 24 H ALA 24 10.612 2.279 -2.871 153 HA ALA 24 HA ALA 24 8.402 2.577 -1.569 154 1HB ALA 24 1HB ALA 24 9.027 2.605 0.932 155 2HB ALA 24 2HB ALA 24 8.795 1.013 0.171 156 3HB ALA 24 3HB ALA 24 10.439 1.626 0.466 157 H GLY 25 H GLY 25 9.505 4.161 0.854 158 1HA GLY 25 1HA GLY 25 9.870 6.611 -0.504 159 2HA GLY 25 2HA GLY 25 10.074 6.308 1.210 160 H LEU 26 H LEU 26 11.986 4.009 -0.307 161 HA LEU 26 HA LEU 26 14.188 3.754 -0.376 162 1HB LEU 26 1HB LEU 26 13.856 4.691 -2.525 163 2HB LEU 26 2HB LEU 26 13.878 6.345 -1.889 164 HG LEU 26 HG LEU 26 16.337 5.290 -1.124 165 1HD1 LEU 26 1HD1 LEU 26 15.942 4.532 -4.020 166 2HD1 LEU 26 2HD1 LEU 26 17.323 4.186 -2.953 167 3HD1 LEU 26 3HD1 LEU 26 15.767 3.363 -2.690 168 1HD2 LEU 26 1HD2 LEU 26 15.296 7.299 -2.996 169 2HD2 LEU 26 2HD2 LEU 26 16.620 7.401 -1.810 170 3HD2 LEU 26 3HD2 LEU 26 16.913 6.684 -3.413 171 H GLN 27 H GLN 27 13.527 4.431 2.135 172 HA GLN 27 HA GLN 27 14.673 6.802 3.040 173 1HB GLN 27 1HB GLN 27 12.999 5.594 4.332 174 2HB GLN 27 2HB GLN 27 14.069 4.189 4.492 175 1HG GLN 27 1HG GLN 27 14.024 5.638 6.533 176 2HG GLN 27 2HG GLN 27 15.647 5.500 5.835 177 1HE2 GLN 27 1HE2 GLN 27 16.727 7.300 5.693 178 2HE2 GLN 27 2HE2 GLN 27 16.093 8.903 5.523 179 H ALA 28 H ALA 28 15.883 3.877 4.616 180 HA ALA 28 HA ALA 28 18.246 3.407 3.385 181 1HB ALA 28 1HB ALA 28 19.135 5.549 3.489 182 2HB ALA 28 2HB ALA 28 18.306 5.935 5.016 183 3HB ALA 28 3HB ALA 28 19.735 4.873 5.023 184 H GLY 29 H GLY 29 17.606 1.372 4.264 185 1HA GLY 29 1HA GLY 29 17.333 -0.213 5.859 186 2HA GLY 29 2HA GLY 29 18.851 0.431 6.452 187 H THR 30 H THR 30 15.508 1.851 6.396 188 HA THR 30 HA THR 30 15.636 1.944 9.337 189 HB THR 30 HB THR 30 15.220 4.110 7.285 190 HG1 THR 30 1HG THR 30 16.584 5.070 8.837 191 1HG2 THR 30 1HG2 THR 30 13.019 4.101 8.471 192 2HG2 THR 30 2HG2 THR 30 13.867 4.052 10.035 193 3HG2 THR 30 3HG2 THR 30 14.010 5.485 8.990 194 H ALA 31 H ALA 31 13.574 1.920 10.437 195 HA ALA 31 HA ALA 31 11.913 -0.058 9.660 196 1HB ALA 31 1HB ALA 31 11.642 0.661 11.853 197 2HB ALA 31 2HB ALA 31 11.604 2.381 11.398 198 3HB ALA 31 3HB ALA 31 10.186 1.348 11.096 199 H TYR 32 H TYR 32 9.892 -0.235 8.565 200 HA TYR 32 HA TYR 32 8.886 2.100 7.192 201 1HB TYR 32 1HB TYR 32 10.657 0.015 6.065 202 2HB TYR 32 2HB TYR 32 9.108 0.037 5.215 203 HD1 TYR 32 1HD TYR 32 12.254 1.022 4.725 204 HD2 TYR 32 2HD TYR 32 8.398 2.844 5.075 205 HE1 TYR 32 1HE TYR 32 13.053 2.996 3.337 206 HE2 TYR 32 2HE TYR 32 9.211 4.813 3.686 207 HH TYR 32 HH TYR 32 11.290 5.887 3.134 208 H ASP 33 H ASP 33 7.093 1.557 8.674 209 HA ASP 33 HA ASP 33 5.875 -0.883 8.742 210 1HB ASP 33 1HB ASP 33 5.187 0.725 10.332 211 2HB ASP 33 2HB ASP 33 4.891 1.963 9.101 212 HD2 ASP 33 HD2 ASP 33 1.636 0.919 8.643 213 H VAL 34 H VAL 34 4.487 -1.972 7.300 214 HA VAL 34 HA VAL 34 4.237 -0.999 4.670 215 HB VAL 34 HB VAL 34 3.062 -3.308 6.206 216 1HG1 VAL 34 1HG1 VAL 34 1.360 -3.028 4.652 217 2HG1 VAL 34 2HG1 VAL 34 2.459 -2.392 3.404 218 3HG1 VAL 34 3HG1 VAL 34 2.467 -4.129 3.796 219 1HG2 VAL 34 1HG2 VAL 34 5.067 -3.220 3.928 220 2HG2 VAL 34 2HG2 VAL 34 5.487 -3.342 5.652 221 3HG2 VAL 34 3HG2 VAL 34 4.573 -4.650 4.864 222 H GLY 35 H GLY 35 2.469 -0.116 3.555 223 1HA GLY 35 1HA GLY 35 0.043 0.441 5.105 224 2HA GLY 35 2HA GLY 35 0.955 1.798 4.474 225 H GLN 36 H GLN 36 -1.808 0.703 3.798 226 HA GLN 36 HA GLN 36 -1.311 0.531 0.936 227 1HB GLN 36 1HB GLN 36 -2.683 -1.409 2.675 228 2HB GLN 36 2HB GLN 36 -3.664 -0.915 1.283 229 1HG GLN 36 1HG GLN 36 -1.240 -1.293 0.081 230 2HG GLN 36 2HG GLN 36 -1.123 -2.483 1.386 231 1HE2 GLN 36 1HE2 GLN 36 -3.252 -1.282 -1.187 232 2HE2 GLN 36 2HE2 GLN 36 -3.984 -2.796 -1.600 233 H CYS 37 H CYS 37 -2.285 2.215 -0.098 234 HA CYS 37 HA CYS 37 -4.747 3.242 1.112 235 1HB CYS 37 1HB CYS 37 -2.741 4.987 -0.284 236 2HB CYS 37 2HB CYS 37 -4.123 5.477 0.714 237 H ALA 38 H ALA 38 -5.851 4.757 -0.721 238 HA ALA 38 HA ALA 38 -5.355 3.757 -3.388 239 1HB ALA 38 1HB ALA 38 -8.186 3.501 -2.453 240 2HB ALA 38 2HB ALA 38 -7.291 2.550 -3.664 241 3HB ALA 38 3HB ALA 38 -7.036 2.248 -1.928 242 H TRP 39 H TRP 39 -6.894 4.925 -4.976 243 HA TRP 39 HA TRP 39 -7.005 7.695 -4.113 244 1HB TRP 39 1HB TRP 39 -6.040 6.664 -6.339 245 2HB TRP 39 2HB TRP 39 -7.719 6.801 -6.869 246 HD1 TRP 39 HD TRP 39 -6.113 9.481 -4.590 247 HE1 TRP 39 1HE TRP 39 -5.949 11.806 -5.828 248 HE3 TRP 39 3HE TRP 39 -7.608 7.758 -9.135 249 HZ2 TRP 39 2HZ TRP 39 -6.452 12.644 -8.509 250 HZ3 TRP 39 3HZ TRP 39 -7.745 9.396 -11.009 251 HH2 TRP 39 HH TRP 39 -7.197 11.765 -10.752 252 H VAL 40 H VAL 40 -8.978 8.966 -4.323 253 HA VAL 40 HA VAL 40 -11.392 7.289 -4.347 254 HB VAL 40 HB VAL 40 -11.185 9.864 -2.828 255 1HG1 VAL 40 1HG1 VAL 40 -13.244 9.313 -2.171 256 2HG1 VAL 40 2HG1 VAL 40 -13.180 7.897 -3.247 257 3HG1 VAL 40 3HG1 VAL 40 -12.664 7.748 -1.550 258 1HG2 VAL 40 1HG2 VAL 40 -10.177 7.159 -1.898 259 2HG2 VAL 40 2HG2 VAL 40 -9.273 8.689 -1.994 260 3HG2 VAL 40 3HG2 VAL 40 -10.576 8.500 -0.796 261 H ASP 41 H ASP 41 -12.829 10.036 -4.029 262 HA ASP 41 HA ASP 41 -12.603 10.699 -6.859 263 1HB ASP 41 1HB ASP 41 -14.840 9.969 -5.248 264 2HB ASP 41 2HB ASP 41 -15.038 11.690 -5.613 265 HD2 ASP 41 HD2 ASP 41 -16.170 9.196 -8.272 266 H THR 42 H THR 42 -12.381 12.945 -7.389 267 HA THR 42 HA THR 42 -12.259 15.168 -7.067 268 HB THR 42 HB THR 42 -14.010 14.483 -5.073 269 HG1 THR 42 1HG THR 42 -12.472 16.938 -5.549 270 1HG2 THR 42 1HG2 THR 42 -13.243 14.994 -2.941 271 2HG2 THR 42 2HG2 THR 42 -11.692 14.433 -3.610 272 3HG2 THR 42 3HG2 THR 42 -12.057 16.174 -3.548 273 H GLY 43 H GLY 43 -10.178 12.957 -6.626 274 1HA GLY 43 1HA GLY 43 -7.910 13.130 -6.489 275 2HA GLY 43 2HA GLY 43 -8.055 14.775 -5.900 276 H VAL 44 H VAL 44 -10.225 12.946 -4.086 277 HA VAL 44 HA VAL 44 -8.663 13.157 -1.755 278 HB VAL 44 HB VAL 44 -11.286 11.890 -2.487 279 1HG1 VAL 44 1HG1 VAL 44 -11.670 11.217 -0.207 280 2HG1 VAL 44 2HG1 VAL 44 -10.155 10.464 -0.761 281 3HG1 VAL 44 3HG1 VAL 44 -10.103 11.886 0.308 282 1HG2 VAL 44 1HG2 VAL 44 -10.602 14.473 -1.913 283 2HG2 VAL 44 2HG2 VAL 44 -12.223 13.776 -1.677 284 3HG2 VAL 44 3HG2 VAL 44 -11.089 13.876 -0.308 285 H LEU 45 H LEU 45 -7.730 11.494 -0.434 286 HA LEU 45 HA LEU 45 -7.227 9.003 -1.909 287 1HB LEU 45 1HB LEU 45 -5.336 10.678 -1.852 288 2HB LEU 45 2HB LEU 45 -5.229 10.364 -0.112 289 HG LEU 45 HG LEU 45 -5.209 7.916 -1.706 290 1HD1 LEU 45 1HD1 LEU 45 -3.950 8.630 -3.412 291 2HD1 LEU 45 2HD1 LEU 45 -3.526 10.153 -2.593 292 3HD1 LEU 45 3HD1 LEU 45 -2.622 8.665 -2.226 293 1HD2 LEU 45 1HD2 LEU 45 -3.200 9.056 0.254 294 2HD2 LEU 45 2HD2 LEU 45 -4.627 8.087 0.692 295 3HD2 LEU 45 3HD2 LEU 45 -3.330 7.366 -0.291 296 H ALA 46 H ALA 46 -7.777 7.172 -0.837 297 HA ALA 46 HA ALA 46 -8.429 7.496 2.008 298 1HB ALA 46 1HB ALA 46 -9.976 5.617 1.654 299 2HB ALA 46 2HB ALA 46 -10.321 6.935 0.509 300 3HB ALA 46 3HB ALA 46 -9.447 5.485 -0.040 301 H CYS 47 H CYS 47 -6.836 6.753 3.315 302 HA CYS 47 HA CYS 47 -5.039 4.746 2.282 303 1HB CYS 47 1HB CYS 47 -5.011 6.757 4.404 304 2HB CYS 47 2HB CYS 47 -4.264 5.217 4.871 305 H ASN 48 H ASN 48 -4.542 2.791 3.697 306 HA ASN 48 HA ASN 48 -7.022 1.908 4.945 307 1HB ASN 48 1HB ASN 48 -6.104 0.668 2.883 308 2HB ASN 48 2HB ASN 48 -4.758 0.137 3.903 309 1HD2 ASN 48 1HD2 ASN 48 -8.312 0.403 3.984 310 2HD2 ASN 48 2HD2 ASN 48 -8.633 -1.146 4.689 311 HA PRO 49 HA PRO 49 -4.097 2.105 8.364 312 1HB PRO 49 1HB PRO 49 -5.930 2.650 10.314 313 2HB PRO 49 2HB PRO 49 -5.092 3.904 9.401 314 1HG PRO 49 1HG PRO 49 -7.856 2.903 9.151 315 2HG PRO 49 2HG PRO 49 -7.171 4.464 8.572 316 1HD PRO 49 1HD PRO 49 -7.836 2.137 7.044 317 2HD PRO 49 2HD PRO 49 -7.016 3.588 6.453 318 H ALA 50 H ALA 50 -4.853 -0.298 7.199 319 HA ALA 50 HA ALA 50 -5.194 -1.850 9.664 320 1HB ALA 50 1HB ALA 50 -7.171 -2.610 8.919 321 2HB ALA 50 2HB ALA 50 -7.006 -1.660 7.422 322 3HB ALA 50 3HB ALA 50 -6.336 -3.307 7.509 323 H ASP 51 H ASP 51 -3.193 -0.920 7.200 324 HA ASP 51 HA ASP 51 -2.258 -3.102 5.974 325 1HB ASP 51 1HB ASP 51 0.073 -1.945 6.285 326 2HB ASP 51 2HB ASP 51 -1.196 -1.085 5.400 327 HD2 ASP 51 HD2 ASP 51 -1.211 1.485 7.667 328 H PHE 52 H PHE 52 -1.075 -1.765 9.160 329 HA PHE 52 HA PHE 52 -0.236 -2.742 10.954 330 1HB PHE 52 1HB PHE 52 -2.006 -4.652 9.771 331 2HB PHE 52 2HB PHE 52 -0.540 -5.568 10.140 332 HD1 PHE 52 1HD PHE 52 -0.497 -6.606 12.188 333 HD2 PHE 52 2HD PHE 52 -2.728 -3.018 11.788 334 HE1 PHE 52 1HE PHE 52 -1.243 -6.802 14.576 335 HE2 PHE 52 2HE PHE 52 -3.473 -3.215 14.177 336 HZ PHE 52 HZ PHE 52 -2.721 -5.105 15.543 337 H SER 53 H SER 53 0.445 -4.920 8.115 338 HA SER 53 HA SER 53 2.724 -6.007 8.788 339 1HB SER 53 1HB SER 53 1.755 -4.830 6.212 340 2HB SER 53 2HB SER 53 3.442 -5.372 6.266 341 HG SER 53 HG SER 53 2.783 -7.470 6.643 342 H SER 54 H SER 54 5.073 -5.487 8.424 343 HA SER 54 HA SER 54 5.746 -2.745 8.114 344 1HB SER 54 1HB SER 54 6.993 -2.680 10.343 345 2HB SER 54 2HB SER 54 5.228 -2.547 10.440 346 HG SER 54 HG SER 54 6.409 -4.090 11.957 347 H VAL 55 H VAL 55 8.023 -2.487 7.651 348 HA VAL 55 HA VAL 55 9.707 -4.825 7.900 349 HB VAL 55 HB VAL 55 8.317 -4.896 5.714 350 1HG1 VAL 55 1HG1 VAL 55 8.715 -3.428 4.037 351 2HG1 VAL 55 2HG1 VAL 55 9.217 -2.357 5.367 352 3HG1 VAL 55 3HG1 VAL 55 10.440 -3.264 4.443 353 1HG2 VAL 55 1HG2 VAL 55 10.837 -5.317 4.585 354 2HG2 VAL 55 2HG2 VAL 55 11.079 -5.580 6.328 355 3HG2 VAL 55 3HG2 VAL 55 9.840 -6.510 5.451 356 H THR 56 H THR 56 11.728 -3.802 6.081 357 HA THR 56 HA THR 56 12.272 -1.122 7.100 358 HB THR 56 HB THR 56 13.654 -3.671 7.882 359 HG1 THR 56 1HG THR 56 12.592 -2.367 9.455 360 1HG2 THR 56 1HG2 THR 56 15.502 -2.654 6.630 361 2HG2 THR 56 2HG2 THR 56 15.104 -1.043 7.275 362 3HG2 THR 56 3HG2 THR 56 15.753 -2.299 8.356 363 H ALA 57 H ALA 57 14.082 -0.061 5.960 364 HA ALA 57 HA ALA 57 13.919 -0.751 3.168 365 1HB ALA 57 1HB ALA 57 15.764 1.382 3.713 366 2HB ALA 57 2HB ALA 57 14.136 1.478 2.999 367 3HB ALA 57 3HB ALA 57 14.342 1.589 4.764 368 H ASP 58 H ASP 58 16.229 -0.347 1.969 369 HA ASP 58 HA ASP 58 18.164 -1.956 3.433 370 1HB ASP 58 1HB ASP 58 18.765 -2.888 1.090 371 2HB ASP 58 2HB ASP 58 17.307 -3.518 1.870 372 HD2 ASP 58 HD2 ASP 58 15.918 -2.897 -1.227 373 H ALA 59 H ALA 59 20.095 -0.799 3.564 374 HA ALA 59 HA ALA 59 21.360 1.067 3.276 375 1HB ALA 59 1HB ALA 59 22.555 0.722 0.939 376 2HB ALA 59 2HB ALA 59 22.743 -0.484 2.235 377 3HB ALA 59 3HB ALA 59 21.595 -0.778 0.908 378 H ASN 60 H ASN 60 20.540 0.828 -0.203 379 HA ASN 60 HA ASN 60 20.411 3.354 -0.806 380 1HB ASN 60 1HB ASN 60 18.894 0.965 -1.714 381 2HB ASN 60 2HB ASN 60 18.132 2.499 -2.157 382 1HD2 ASN 60 1HD2 ASN 60 19.145 3.900 -3.551 383 2HD2 ASN 60 2HD2 ASN 60 20.501 3.464 -4.535 384 H GLY 61 H GLY 61 17.722 1.471 0.740 385 1HA GLY 61 1HA GLY 61 16.567 2.729 2.534 386 2HA GLY 61 2HA GLY 61 16.379 4.030 1.376 387 H SER 62 H SER 62 16.239 1.069 -0.300 388 HA SER 62 HA SER 62 13.396 1.376 -0.550 389 1HB SER 62 1HB SER 62 14.073 0.938 -2.662 390 2HB SER 62 2HB SER 62 15.594 0.197 -2.130 391 HG SER 62 HG SER 62 14.192 -1.330 -3.208 392 H ALA 63 H ALA 63 11.839 -0.190 0.066 393 HA ALA 63 HA ALA 63 12.640 -1.915 2.183 394 1HB ALA 63 1HB ALA 63 10.400 -1.990 2.636 395 2HB ALA 63 2HB ALA 63 10.362 -0.581 1.547 396 3HB ALA 63 3HB ALA 63 9.953 -2.198 0.926 397 H SER 64 H SER 64 11.758 -4.301 2.141 398 HA SER 64 HA SER 64 11.643 -5.557 -0.357 399 1HB SER 64 1HB SER 64 13.794 -6.956 0.089 400 2HB SER 64 2HB SER 64 13.973 -5.345 -0.630 401 HG SER 64 HG SER 64 14.562 -4.517 1.430 402 H THR 65 H THR 65 9.941 -6.835 0.343 403 HA THR 65 HA THR 65 10.414 -9.066 1.928 404 HB THR 65 HB THR 65 10.462 -6.985 3.620 405 HG1 THR 65 1HG THR 65 8.643 -9.136 4.267 406 1HG2 THR 65 1HG2 THR 65 7.496 -7.592 3.172 407 2HG2 THR 65 2HG2 THR 65 8.122 -6.887 4.682 408 3HG2 THR 65 3HG2 THR 65 8.285 -5.997 3.149 409 H SER 66 H SER 66 8.186 -10.082 2.647 410 HA SER 66 HA SER 66 6.604 -9.920 0.271 411 1HB SER 66 1HB SER 66 6.342 -11.674 2.746 412 2HB SER 66 2HB SER 66 5.406 -11.879 1.253 413 HG SER 66 HG SER 66 7.513 -13.180 1.674 414 H LEU 67 H LEU 67 5.136 -8.244 0.167 415 HA LEU 67 HA LEU 67 3.755 -7.520 2.641 416 1HB LEU 67 1HB LEU 67 4.667 -6.103 0.246 417 2HB LEU 67 2HB LEU 67 3.034 -5.661 0.776 418 HG LEU 67 HG LEU 67 3.978 -5.174 3.038 419 1HD1 LEU 67 1HD1 LEU 67 6.058 -5.682 3.626 420 2HD1 LEU 67 2HD1 LEU 67 6.209 -6.563 2.087 421 3HD1 LEU 67 3HD1 LEU 67 6.733 -4.866 2.197 422 1HD2 LEU 67 1HD2 LEU 67 5.525 -3.205 1.916 423 2HD2 LEU 67 2HD2 LEU 67 4.468 -3.675 0.563 424 3HD2 LEU 67 3HD2 LEU 67 3.756 -3.153 2.108 425 H THR 68 H THR 68 1.424 -7.284 2.652 426 HA THR 68 HA THR 68 0.179 -9.250 0.900 427 HB THR 68 HB THR 68 -0.288 -9.546 3.246 428 HG1 THR 68 1HG THR 68 -2.408 -9.638 2.625 429 1HG2 THR 68 1HG2 THR 68 -0.648 -6.529 3.202 430 2HG2 THR 68 2HG2 THR 68 -1.541 -7.504 4.393 431 3HG2 THR 68 3HG2 THR 68 0.239 -7.529 4.379 432 H VAL 69 H VAL 69 -0.056 -8.325 -1.112 433 HA VAL 69 HA VAL 69 -0.966 -5.662 -1.417 434 HB VAL 69 HB VAL 69 -1.154 -7.847 -3.478 435 1HG1 VAL 69 1HG1 VAL 69 -0.239 -5.797 -4.850 436 2HG1 VAL 69 2HG1 VAL 69 -1.964 -5.901 -4.428 437 3HG1 VAL 69 3HG1 VAL 69 -0.878 -4.855 -3.483 438 1HG2 VAL 69 1HG2 VAL 69 1.206 -7.116 -2.012 439 2HG2 VAL 69 2HG2 VAL 69 1.029 -8.276 -3.349 440 3HG2 VAL 69 3HG2 VAL 69 1.372 -6.565 -3.697 441 H ARG 70 H ARG 70 -2.747 -6.182 0.340 442 HA ARG 70 HA ARG 70 -4.854 -7.706 0.031 443 1HB ARG 70 1HB ARG 70 -4.838 -4.742 0.750 444 2HB ARG 70 2HB ARG 70 -6.237 -5.794 1.029 445 1HG ARG 70 1HG ARG 70 -5.314 -6.594 2.922 446 2HG ARG 70 2HG ARG 70 -3.822 -7.040 2.075 447 1HD ARG 70 1HD ARG 70 -4.250 -4.130 2.651 448 2HD ARG 70 2HD ARG 70 -3.902 -5.168 4.042 449 HE ARG 70 HE ARG 70 -2.041 -5.806 1.988 450 1HH1 ARG 70 1HH1 ARG 70 -2.832 -3.100 4.095 451 2HH1 ARG 70 2HH1 ARG 70 -1.216 -2.476 4.113 452 1HH2 ARG 70 1HH2 ARG 70 0.091 -4.982 2.010 453 2HH2 ARG 70 2HH2 ARG 70 0.458 -3.554 2.918 454 H ARG 71 H ARG 71 -7.101 -7.364 -0.876 455 HA ARG 71 HA ARG 71 -6.889 -5.951 -3.410 456 1HB ARG 71 1HB ARG 71 -7.217 -8.418 -3.577 457 2HB ARG 71 2HB ARG 71 -8.715 -8.285 -2.644 458 1HG ARG 71 1HG ARG 71 -9.056 -6.410 -4.674 459 2HG ARG 71 2HG ARG 71 -8.203 -7.726 -5.499 460 1HD ARG 71 1HD ARG 71 -9.924 -9.276 -5.051 461 2HD ARG 71 2HD ARG 71 -10.572 -8.330 -3.703 462 HE ARG 71 HE ARG 71 -10.857 -6.692 -5.952 463 1HH1 ARG 71 1HH1 ARG 71 -11.953 -9.905 -5.028 464 2HH1 ARG 71 2HH1 ARG 71 -13.397 -9.827 -5.983 465 1HH2 ARG 71 1HH2 ARG 71 -12.761 -6.588 -7.212 466 2HH2 ARG 71 2HH2 ARG 71 -13.858 -7.927 -7.234 467 H SER 72 H SER 72 -9.452 -7.108 -1.083 468 HA SER 72 HA SER 72 -10.694 -4.490 -1.430 469 1HB SER 72 1HB SER 72 -12.839 -5.466 -1.341 470 2HB SER 72 2HB SER 72 -11.915 -6.571 -2.375 471 HG SER 72 HG SER 72 -12.678 -6.897 0.391 472 H PHE 73 H PHE 73 -11.970 -3.737 0.525 473 HA PHE 73 HA PHE 73 -12.003 -4.907 2.963 474 1HB PHE 73 1HB PHE 73 -9.956 -3.523 3.940 475 2HB PHE 73 2HB PHE 73 -9.617 -5.057 3.132 476 HD1 PHE 73 1HD PHE 73 -9.877 -1.403 2.424 477 HD2 PHE 73 2HD PHE 73 -8.033 -5.097 1.444 478 HE1 PHE 73 1HE PHE 73 -8.332 -0.213 0.844 479 HE2 PHE 73 2HE PHE 73 -6.488 -3.908 -0.136 480 HZ PHE 73 HZ PHE 73 -6.656 -1.480 -0.417 481 H GLU 74 H GLU 74 -11.464 -2.830 4.765 482 HA GLU 74 HA GLU 74 -13.355 -0.872 3.775 483 1HB GLU 74 1HB GLU 74 -13.446 -0.225 6.251 484 2HB GLU 74 2HB GLU 74 -14.070 -1.831 5.839 485 1HG GLU 74 1HG GLU 74 -11.193 -1.886 6.388 486 2HG GLU 74 2HG GLU 74 -12.096 -1.220 7.758 487 HE2 GLU 74 HE2 GLU 74 -13.439 -4.299 8.534 488 H GLY 75 H GLY 75 -12.391 0.856 2.780 489 1HA GLY 75 1HA GLY 75 -9.727 1.688 3.503 490 2HA GLY 75 2HA GLY 75 -10.772 2.375 2.274 491 H PHE 76 H PHE 76 -9.338 4.131 3.832 492 HA PHE 76 HA PHE 76 -11.483 5.371 5.364 493 1HB PHE 76 1HB PHE 76 -8.939 4.195 6.311 494 2HB PHE 76 2HB PHE 76 -9.031 5.911 6.720 495 HD1 PHE 76 1HD PHE 76 -10.619 2.620 7.188 496 HD2 PHE 76 2HD PHE 76 -10.529 6.683 8.412 497 HE1 PHE 76 1HE PHE 76 -12.055 2.056 9.168 498 HE2 PHE 76 2HE PHE 76 -11.964 6.119 10.392 499 HZ PHE 76 HZ PHE 76 -12.711 3.812 10.746 500 H LEU 77 H LEU 77 -11.524 7.621 5.201 501 HA LEU 77 HA LEU 77 -10.263 8.788 3.042 502 1HB LEU 77 1HB LEU 77 -11.777 9.722 5.414 503 2HB LEU 77 2HB LEU 77 -10.869 10.935 4.493 504 HG LEU 77 HG LEU 77 -13.285 10.694 3.879 505 1HD1 LEU 77 1HD1 LEU 77 -12.925 11.175 1.649 506 2HD1 LEU 77 2HD1 LEU 77 -11.322 11.485 2.358 507 3HD1 LEU 77 3HD1 LEU 77 -11.630 9.966 1.482 508 1HD2 LEU 77 1HD2 LEU 77 -13.657 8.684 2.242 509 2HD2 LEU 77 2HD2 LEU 77 -12.367 7.922 3.202 510 3HD2 LEU 77 3HD2 LEU 77 -13.862 8.470 3.997 511 H PHE 78 H PHE 78 -9.533 9.376 6.559 512 HA PHE 78 HA PHE 78 -6.932 8.919 6.645 513 1HB PHE 78 1HB PHE 78 -6.150 10.276 4.912 514 2HB PHE 78 2HB PHE 78 -7.593 11.293 4.934 515 HD1 PHE 78 1HD PHE 78 -4.158 11.004 5.883 516 HD2 PHE 78 2HD PHE 78 -7.769 13.049 6.770 517 HE1 PHE 78 1HE PHE 78 -2.852 12.808 7.042 518 HE2 PHE 78 2HE PHE 78 -6.463 14.852 7.930 519 HZ PHE 78 HZ PHE 78 -4.021 14.709 8.051 520 H ASP 79 H ASP 79 -9.650 10.991 7.388 521 HA ASP 79 HA ASP 79 -8.296 12.033 9.718 522 1HB ASP 79 1HB ASP 79 -9.926 13.313 8.087 523 2HB ASP 79 2HB ASP 79 -11.206 12.525 9.019 524 HD2 ASP 79 HD2 ASP 79 -10.763 15.642 10.638 525 H GLY 80 H GLY 80 -11.216 10.124 8.699 526 1HA GLY 80 1HA GLY 80 -11.162 8.131 10.508 527 2HA GLY 80 2HA GLY 80 -11.891 9.433 11.427 528 H THR 81 H THR 81 -12.159 8.589 7.906 529 HA THR 81 HA THR 81 -15.040 8.178 8.354 530 HB THR 81 HB THR 81 -13.664 9.624 6.028 531 HG1 THR 81 1HG THR 81 -13.739 11.085 7.735 532 1HG2 THR 81 1HG2 THR 81 -15.845 8.558 5.389 533 2HG2 THR 81 2HG2 THR 81 -16.616 9.321 6.801 534 3HG2 THR 81 3HG2 THR 81 -15.992 10.330 5.473 535 H ARG 82 H ARG 82 -15.844 6.291 7.661 536 HA ARG 82 HA ARG 82 -14.157 4.320 6.798 537 1HB ARG 82 1HB ARG 82 -16.292 3.094 6.192 538 2HB ARG 82 2HB ARG 82 -16.305 3.786 7.822 539 1HG ARG 82 1HG ARG 82 -17.293 5.632 5.742 540 2HG ARG 82 2HG ARG 82 -18.265 4.157 5.878 541 1HD ARG 82 1HD ARG 82 -19.149 4.827 7.856 542 2HD ARG 82 2HD ARG 82 -17.564 5.269 8.512 543 HE ARG 82 HE ARG 82 -18.324 7.219 6.570 544 1HH1 ARG 82 1HH1 ARG 82 -19.283 6.113 9.770 545 2HH1 ARG 82 2HH1 ARG 82 -19.916 7.651 10.252 546 1HH2 ARG 82 1HH2 ARG 82 -19.160 9.250 7.205 547 2HH2 ARG 82 2HH2 ARG 82 -19.845 9.448 8.784 548 H TRP 83 H TRP 83 -14.232 3.096 4.664 549 HA TRP 83 HA TRP 83 -15.322 4.335 2.372 550 1HB TRP 83 1HB TRP 83 -13.561 5.964 2.760 551 2HB TRP 83 2HB TRP 83 -12.346 4.684 2.778 552 HD1 TRP 83 HD TRP 83 -11.157 4.396 0.476 553 HE1 TRP 83 1HE TRP 83 -11.623 4.896 -2.074 554 HE3 TRP 83 3HE TRP 83 -15.888 6.136 1.141 555 HZ2 TRP 83 2HZ TRP 83 -13.866 5.941 -3.493 556 HZ3 TRP 83 3HZ TRP 83 -17.147 6.877 -0.879 557 HH2 TRP 83 HH TRP 83 -16.211 6.801 -3.135 558 H GLY 84 H GLY 84 -14.102 3.169 0.341 559 1HA GLY 84 1HA GLY 84 -13.683 1.217 -0.687 560 2HA GLY 84 2HA GLY 84 -12.757 0.758 0.727 561 H THR 85 H THR 85 -14.007 -0.115 2.659 562 HA THR 85 HA THR 85 -15.204 -1.929 3.293 563 HB THR 85 HB THR 85 -16.529 0.239 3.727 564 HG1 THR 85 1HG THR 85 -17.888 -1.238 4.680 565 1HG2 THR 85 1HG2 THR 85 -18.806 0.114 2.447 566 2HG2 THR 85 2HG2 THR 85 -17.436 0.866 1.593 567 3HG2 THR 85 3HG2 THR 85 -17.908 -0.808 1.217 568 H VAL 86 H VAL 86 -14.236 -2.114 0.498 569 HA VAL 86 HA VAL 86 -15.543 -4.441 -0.210 570 HB VAL 86 HB VAL 86 -17.248 -2.429 -0.709 571 1HG1 VAL 86 1HG1 VAL 86 -17.067 -1.420 -2.748 572 2HG1 VAL 86 2HG1 VAL 86 -15.334 -1.671 -2.428 573 3HG1 VAL 86 3HG1 VAL 86 -16.217 -2.800 -3.483 574 1HG2 VAL 86 1HG2 VAL 86 -17.614 -4.239 -2.875 575 2HG2 VAL 86 2HG2 VAL 86 -16.923 -5.161 -1.517 576 3HG2 VAL 86 3HG2 VAL 86 -18.424 -4.231 -1.289 577 H ASP 87 H ASP 87 -15.201 -4.353 -3.048 578 HA ASP 87 HA ASP 87 -12.629 -4.955 -3.328 579 1HB ASP 87 1HB ASP 87 -14.048 -3.404 -5.510 580 2HB ASP 87 2HB ASP 87 -12.943 -4.776 -5.691 581 HD2 ASP 87 HD2 ASP 87 -16.798 -5.419 -5.306 582 H CYS 88 H CYS 88 -10.704 -3.785 -3.190 583 HA CYS 88 HA CYS 88 -10.918 -0.893 -3.158 584 1HB CYS 88 1HB CYS 88 -9.320 -0.939 -1.661 585 2HB CYS 88 2HB CYS 88 -9.484 -2.703 -1.629 586 H THR 89 H THR 89 -9.732 -3.643 -5.060 587 HA THR 89 HA THR 89 -7.806 -2.493 -6.631 588 HB THR 89 HB THR 89 -8.564 -4.911 -6.579 589 HG1 THR 89 1HG THR 89 -7.474 -3.524 -8.444 590 1HG2 THR 89 1HG2 THR 89 -10.446 -5.605 -7.950 591 2HG2 THR 89 2HG2 THR 89 -11.070 -4.354 -6.849 592 3HG2 THR 89 3HG2 THR 89 -10.701 -3.946 -8.542 593 H THR 90 H THR 90 -11.329 -1.988 -6.716 594 HA THR 90 HA THR 90 -11.451 -0.791 -9.244 595 HB THR 90 HB THR 90 -13.116 -1.131 -6.814 596 HG1 THR 90 1HG THR 90 -14.605 -1.462 -8.641 597 1HG2 THR 90 1HG2 THR 90 -14.730 0.635 -7.418 598 2HG2 THR 90 2HG2 THR 90 -13.169 1.398 -7.027 599 3HG2 THR 90 3HG2 THR 90 -13.663 1.201 -8.725 600 H ALA 91 H ALA 91 -10.192 0.362 -6.167 601 HA ALA 91 HA ALA 91 -10.084 3.075 -7.266 602 1HB ALA 91 1HB ALA 91 -9.217 3.357 -4.734 603 2HB ALA 91 2HB ALA 91 -10.947 3.333 -5.152 604 3HB ALA 91 3HB ALA 91 -10.160 1.861 -4.533 605 H ALA 92 H ALA 92 -8.407 0.534 -7.939 606 HA ALA 92 HA ALA 92 -6.241 -0.087 -8.024 607 1HB ALA 92 1HB ALA 92 -5.670 2.759 -8.823 608 2HB ALA 92 2HB ALA 92 -5.166 1.240 -9.601 609 3HB ALA 92 3HB ALA 92 -6.844 1.811 -9.767 610 H CYS 93 H CYS 93 -6.472 -0.026 -5.449 611 HA CYS 93 HA CYS 93 -5.186 2.038 -4.081 612 1HB CYS 93 1HB CYS 93 -5.205 -0.783 -3.088 613 2HB CYS 93 2HB CYS 93 -5.384 0.730 -2.180 614 H GLN 94 H GLN 94 -3.078 1.442 -2.688 615 HA GLN 94 HA GLN 94 -1.244 -0.095 -4.318 616 1HB GLN 94 1HB GLN 94 0.478 1.737 -4.071 617 2HB GLN 94 2HB GLN 94 -0.872 2.142 -5.147 618 1HG GLN 94 1HG GLN 94 -0.896 2.877 -2.203 619 2HG GLN 94 2HG GLN 94 -0.109 3.919 -3.397 620 1HE2 GLN 94 1HE2 GLN 94 -1.991 5.121 -2.118 621 2HE2 GLN 94 2HE2 GLN 94 -3.474 5.268 -3.000 622 H VAL 95 H VAL 95 0.822 -0.608 -3.107 623 HA VAL 95 HA VAL 95 0.427 -0.408 -0.207 624 HB VAL 95 HB VAL 95 -0.297 -2.610 -1.028 625 1HG1 VAL 95 1HG1 VAL 95 2.561 -3.206 -1.797 626 2HG1 VAL 95 2HG1 VAL 95 1.078 -4.111 -2.186 627 3HG1 VAL 95 3HG1 VAL 95 1.403 -2.551 -2.980 628 1HG2 VAL 95 1HG2 VAL 95 2.313 -2.885 0.486 629 2HG2 VAL 95 2HG2 VAL 95 0.825 -2.240 1.219 630 3HG2 VAL 95 3HG2 VAL 95 0.861 -3.907 0.597 631 H GLY 96 H GLY 96 2.001 1.029 0.362 632 1HA GLY 96 1HA GLY 96 4.721 0.465 -0.658 633 2HA GLY 96 2HA GLY 96 4.086 2.090 -0.495 634 H LEU 97 H LEU 97 6.449 1.338 0.833 635 HA LEU 97 HA LEU 97 5.716 0.673 3.551 636 1HB LEU 97 1HB LEU 97 8.259 1.013 2.023 637 2HB LEU 97 2HB LEU 97 8.282 1.062 3.794 638 HG LEU 97 HG LEU 97 8.758 -1.144 3.400 639 1HD1 LEU 97 1HD1 LEU 97 6.508 -0.753 4.668 640 2HD1 LEU 97 2HD1 LEU 97 5.788 -1.537 3.242 641 3HD1 LEU 97 3HD1 LEU 97 7.004 -2.401 4.212 642 1HD2 LEU 97 1HD2 LEU 97 8.462 -0.865 0.900 643 2HD2 LEU 97 2HD2 LEU 97 8.082 -2.472 1.563 644 3HD2 LEU 97 3HD2 LEU 97 6.765 -1.351 1.136 645 H SER 98 H SER 98 5.646 2.086 5.279 646 HA SER 98 HA SER 98 6.448 4.815 4.727 647 1HB SER 98 1HB SER 98 4.167 5.186 6.244 648 2HB SER 98 2HB SER 98 4.268 5.411 4.487 649 HG SER 98 HG SER 98 2.821 3.850 4.352 650 H ASP 99 H ASP 99 6.959 6.041 6.690 651 HA ASP 99 HA ASP 99 7.949 4.343 8.719 652 1HB ASP 99 1HB ASP 99 7.774 7.242 9.304 653 2HB ASP 99 2HB ASP 99 9.188 6.178 9.328 654 HD2 ASP 99 HD2 ASP 99 10.271 7.491 6.380 655 H ALA 100 H ALA 100 7.447 4.875 11.137 656 HA ALA 100 HA ALA 100 4.582 4.936 11.449 657 1HB ALA 100 1HB ALA 100 5.777 3.279 12.699 658 2HB ALA 100 2HB ALA 100 6.938 4.481 13.312 659 3HB ALA 100 3HB ALA 100 5.249 4.509 13.873 660 H ALA 101 H ALA 101 5.929 7.382 10.447 661 HA ALA 101 HA ALA 101 4.577 9.354 11.507 662 1HB ALA 101 1HB ALA 101 5.072 9.160 13.758 663 2HB ALA 101 2HB ALA 101 6.719 8.554 13.456 664 3HB ALA 101 3HB ALA 101 6.357 10.286 13.258 665 H GLY 102 H GLY 102 5.976 8.571 9.152 666 1HA GLY 102 1HA GLY 102 7.851 10.842 8.867 667 2HA GLY 102 2HA GLY 102 8.137 9.273 8.139 668 H ASN 103 H ASN 103 5.998 8.416 6.878 669 HA ASN 103 HA ASN 103 4.286 10.260 5.784 670 1HB ASN 103 1HB ASN 103 6.691 10.892 4.781 671 2HB ASN 103 2HB ASN 103 6.341 9.554 3.677 672 1HD2 ASN 103 1HD2 ASN 103 6.555 11.534 2.243 673 2HD2 ASN 103 2HD2 ASN 103 5.099 12.380 1.837 674 H GLY 104 H GLY 104 4.013 9.166 3.123 675 1HA GLY 104 1HA GLY 104 4.371 6.453 2.804 676 2HA GLY 104 2HA GLY 104 2.879 6.617 3.708 677 HA PRO 105 HA PRO 105 2.125 8.870 -0.382 678 1HB PRO 105 1HB PRO 105 4.143 9.161 -2.201 679 2HB PRO 105 2HB PRO 105 3.713 10.406 -1.029 680 1HG PRO 105 1HG PRO 105 5.974 8.511 -1.040 681 2HG PRO 105 2HG PRO 105 5.810 10.058 -0.134 682 1HD PRO 105 1HD PRO 105 5.584 7.381 0.857 683 2HD PRO 105 2HD PRO 105 5.256 8.869 1.754 684 H GLU 106 H GLU 106 0.708 7.345 -1.027 685 HA GLU 106 HA GLU 106 0.079 5.402 -1.857 686 1HB GLU 106 1HB GLU 106 1.612 6.830 -4.005 687 2HB GLU 106 2HB GLU 106 0.991 5.211 -4.368 688 1HG GLU 106 1HG GLU 106 -1.180 5.922 -4.392 689 2HG GLU 106 2HG GLU 106 -0.950 7.034 -3.035 690 HE2 GLU 106 HE2 GLU 106 -0.977 8.492 -6.623 691 H GLY 107 H GLY 107 2.856 4.983 -3.972 692 1HA GLY 107 1HA GLY 107 4.872 3.818 -3.006 693 2HA GLY 107 2HA GLY 107 3.719 2.698 -2.309 694 H VAL 108 H VAL 108 2.269 1.456 -3.802 695 HA VAL 108 HA VAL 108 3.117 1.412 -6.572 696 HB VAL 108 HB VAL 108 4.632 -0.089 -5.155 697 1HG1 VAL 108 1HG1 VAL 108 2.316 -2.027 -5.262 698 2HG1 VAL 108 2HG1 VAL 108 3.844 -2.154 -4.359 699 3HG1 VAL 108 3HG1 VAL 108 2.601 -0.988 -3.845 700 1HG2 VAL 108 1HG2 VAL 108 3.181 -0.768 -7.670 701 2HG2 VAL 108 2HG2 VAL 108 4.920 -0.520 -7.376 702 3HG2 VAL 108 3HG2 VAL 108 4.149 -2.057 -6.915 703 H ALA 109 H ALA 109 1.156 1.756 -7.502 704 HA ALA 109 HA ALA 109 -1.193 0.588 -6.273 705 1HB ALA 109 1HB ALA 109 -0.546 2.851 -7.982 706 2HB ALA 109 2HB ALA 109 -1.865 1.886 -8.686 707 3HB ALA 109 3HB ALA 109 -2.020 2.535 -7.035 708 H ILE 110 H ILE 110 -1.866 -1.428 -6.789 709 HA ILE 110 HA ILE 110 -1.303 -2.345 -9.519 710 HB ILE 110 HB ILE 110 -0.718 -3.637 -6.903 711 1HG1 ILE 110 1HG1 ILE 110 0.627 -3.632 -9.611 712 2HG1 ILE 110 2HG1 ILE 110 1.093 -2.659 -8.205 713 1HG2 ILE 110 1HG2 ILE 110 -1.709 -5.099 -9.352 714 2HG2 ILE 110 2HG2 ILE 110 -0.666 -5.866 -8.130 715 3HG2 ILE 110 3HG2 ILE 110 -2.266 -5.239 -7.667 716 1HD1 ILE 110 1HD1 ILE 110 1.299 -5.661 -8.606 717 2HD1 ILE 110 2HD1 ILE 110 2.574 -4.510 -8.140 718 3HD1 ILE 110 3HD1 ILE 110 1.306 -4.953 -6.972 719 H SER 111 H SER 111 -2.863 -3.982 -10.317 720 HA SER 111 HA SER 111 -5.474 -3.288 -9.318 721 1HB SER 111 1HB SER 111 -4.325 -4.293 -11.859 722 2HB SER 111 2HB SER 111 -5.918 -4.960 -11.462 723 HG SER 111 HG SER 111 -6.156 -2.378 -10.963 724 H PHE 112 H PHE 112 -6.089 -4.524 -7.557 725 HA PHE 112 HA PHE 112 -5.248 -7.276 -7.405 726 1HB PHE 112 1HB PHE 112 -7.300 -5.973 -5.600 727 2HB PHE 112 2HB PHE 112 -5.953 -7.019 -5.145 728 HD1 PHE 112 1HD PHE 112 -7.145 -3.686 -5.289 729 HD2 PHE 112 2HD PHE 112 -3.585 -5.992 -5.384 730 HE1 PHE 112 1HE PHE 112 -5.816 -1.663 -4.625 731 HE2 PHE 112 2HE PHE 112 -2.256 -3.969 -4.720 732 HZ PHE 112 HZ PHE 112 -3.387 -1.829 -4.348 733 H ASN 113 H ASN 113 -6.523 -9.095 -7.703 734 HA ASN 113 HA ASN 113 -8.492 -9.157 -9.441 735 1HB ASN 113 1HB ASN 113 -7.691 -10.858 -7.148 736 2HB ASN 113 2HB ASN 113 -9.371 -11.110 -7.640 737 1HD2 ASN 113 1HD2 ASN 113 -9.487 -12.834 -8.852 738 2HD2 ASN 113 2HD2 ASN 113 -8.444 -13.267 -10.166 Start of MODEL 31 1 H ALA 1 H ALA 1 7.832 13.700 -5.208 2 HA ALA 1 HA ALA 1 9.532 12.677 -4.066 3 1HB ALA 1 1HB ALA 1 8.634 10.576 -3.214 4 2HB ALA 1 2HB ALA 1 7.297 11.722 -3.473 5 3HB ALA 1 3HB ALA 1 7.582 10.409 -4.641 6 H ALA 2 H ALA 2 11.428 11.417 -4.112 7 HA ALA 2 HA ALA 2 12.125 10.487 -6.766 8 1HB ALA 2 1HB ALA 2 14.224 10.110 -4.859 9 2HB ALA 2 2HB ALA 2 14.106 11.336 -6.144 10 3HB ALA 2 3HB ALA 2 13.462 11.682 -4.521 11 HA PRO 3 HA PRO 3 12.597 6.555 -4.201 12 1HB PRO 3 1HB PRO 3 11.985 6.539 -1.539 13 2HB PRO 3 2HB PRO 3 13.622 6.771 -2.150 14 1HG PRO 3 1HG PRO 3 11.709 8.735 -1.063 15 2HG PRO 3 2HG PRO 3 13.495 8.880 -1.227 16 1HD PRO 3 1HD PRO 3 11.456 10.095 -2.829 17 2HD PRO 3 2HD PRO 3 13.199 10.141 -3.127 18 H THR 4 H THR 4 11.220 4.714 -3.446 19 HA THR 4 HA THR 4 8.566 5.096 -2.792 20 HB THR 4 HB THR 4 7.905 4.404 -5.396 21 HG1 THR 4 1HG THR 4 9.827 4.974 -6.399 22 1HG2 THR 4 1HG2 THR 4 6.572 6.218 -5.001 23 2HG2 THR 4 2HG2 THR 4 7.649 6.761 -3.692 24 3HG2 THR 4 3HG2 THR 4 7.965 7.262 -5.371 25 H ALA 5 H ALA 5 7.271 3.085 -2.993 26 HA ALA 5 HA ALA 5 9.114 0.801 -3.048 27 1HB ALA 5 1HB ALA 5 6.394 0.668 -1.793 28 2HB ALA 5 2HB ALA 5 7.919 -0.101 -1.294 29 3HB ALA 5 3HB ALA 5 7.646 1.627 -0.968 30 H THR 6 H THR 6 8.221 -1.262 -3.912 31 HA THR 6 HA THR 6 5.896 -1.035 -5.615 32 HB THR 6 HB THR 6 7.051 -1.293 -7.689 33 HG1 THR 6 1HG THR 6 8.626 -2.839 -7.267 34 1HG2 THR 6 1HG2 THR 6 8.883 0.397 -7.742 35 2HG2 THR 6 2HG2 THR 6 7.501 1.013 -6.804 36 3HG2 THR 6 3HG2 THR 6 8.943 0.393 -5.963 37 H VAL 7 H VAL 7 5.299 -3.145 -6.589 38 HA VAL 7 HA VAL 7 6.304 -5.304 -4.866 39 HB VAL 7 HB VAL 7 3.604 -5.154 -6.201 40 1HG1 VAL 7 1HG1 VAL 7 4.981 -7.205 -4.830 41 2HG1 VAL 7 2HG1 VAL 7 3.719 -6.623 -3.720 42 3HG1 VAL 7 3HG1 VAL 7 3.279 -7.189 -5.349 43 1HG2 VAL 7 1HG2 VAL 7 4.474 -4.089 -3.507 44 2HG2 VAL 7 2HG2 VAL 7 3.571 -3.257 -4.795 45 3HG2 VAL 7 3HG2 VAL 7 2.789 -4.545 -3.849 46 H THR 8 H THR 8 7.073 -7.166 -5.825 47 HA THR 8 HA THR 8 8.176 -7.195 -8.256 48 HB THR 8 HB THR 8 7.110 -9.237 -6.350 49 HG1 THR 8 1HG THR 8 9.401 -9.886 -6.827 50 1HG2 THR 8 1HG2 THR 8 7.409 -9.746 -9.301 51 2HG2 THR 8 2HG2 THR 8 8.201 -10.904 -8.206 52 3HG2 THR 8 3HG2 THR 8 6.445 -10.633 -8.095 53 HA PRO 9 HA PRO 9 4.310 -8.670 -10.444 54 1HB PRO 9 1HB PRO 9 1.977 -9.093 -9.084 55 2HB PRO 9 2HB PRO 9 3.133 -10.376 -9.438 56 1HG PRO 9 1HG PRO 9 2.611 -8.933 -6.916 57 2HG PRO 9 2HG PRO 9 3.418 -10.525 -7.153 58 1HD PRO 9 1HD PRO 9 4.616 -7.996 -6.549 59 2HD PRO 9 2HD PRO 9 5.463 -9.500 -6.929 60 H SER 10 H SER 10 1.572 -7.930 -10.454 61 HA SER 10 HA SER 10 1.469 -5.222 -9.669 62 1HB SER 10 1HB SER 10 2.781 -5.607 -12.065 63 2HB SER 10 2HB SER 10 1.118 -5.323 -12.609 64 HG SER 10 HG SER 10 2.981 -3.565 -11.477 65 H SER 11 H SER 11 -0.071 -7.586 -9.170 66 HA SER 11 HA SER 11 -2.593 -6.632 -10.111 67 1HB SER 11 1HB SER 11 -3.332 -8.585 -11.219 68 2HB SER 11 2HB SER 11 -1.703 -8.311 -11.863 69 HG SER 11 HG SER 11 -1.773 -10.482 -11.345 70 H GLY 12 H GLY 12 -3.444 -6.353 -8.060 71 1HA GLY 12 1HA GLY 12 -2.794 -8.070 -5.879 72 2HA GLY 12 2HA GLY 12 -3.991 -6.791 -5.914 73 H LEU 13 H LEU 13 -4.551 -8.789 -8.598 74 HA LEU 13 HA LEU 13 -6.937 -9.579 -8.378 75 1HB LEU 13 1HB LEU 13 -4.982 -11.828 -8.682 76 2HB LEU 13 2HB LEU 13 -6.518 -11.560 -9.526 77 HG LEU 13 HG LEU 13 -3.988 -9.932 -9.901 78 1HD1 LEU 13 1HD1 LEU 13 -3.796 -11.057 -12.072 79 2HD1 LEU 13 2HD1 LEU 13 -3.692 -12.209 -10.718 80 3HD1 LEU 13 3HD1 LEU 13 -5.194 -12.082 -11.665 81 1HD2 LEU 13 1HD2 LEU 13 -5.246 -8.423 -10.924 82 2HD2 LEU 13 2HD2 LEU 13 -5.798 -9.663 -12.075 83 3HD2 LEU 13 3HD2 LEU 13 -6.708 -9.374 -10.572 84 H SER 14 H SER 14 -4.467 -11.463 -6.484 85 HA SER 14 HA SER 14 -6.513 -12.700 -4.981 86 1HB SER 14 1HB SER 14 -3.662 -12.949 -5.349 87 2HB SER 14 2HB SER 14 -4.009 -12.910 -3.613 88 HG SER 14 HG SER 14 -4.427 -14.998 -3.930 89 H ASP 15 H ASP 15 -7.535 -11.916 -3.169 90 HA ASP 15 HA ASP 15 -7.042 -9.349 -2.288 91 1HB ASP 15 1HB ASP 15 -8.470 -10.126 -0.276 92 2HB ASP 15 2HB ASP 15 -9.209 -10.235 -1.882 93 HD2 ASP 15 HD2 ASP 15 -10.036 -13.367 -0.584 94 H GLY 16 H GLY 16 -4.862 -9.032 -1.561 95 1HA GLY 16 1HA GLY 16 -3.531 -8.844 0.352 96 2HA GLY 16 2HA GLY 16 -4.210 -10.328 0.990 97 H THR 17 H THR 17 -3.027 -9.826 -2.376 98 HA THR 17 HA THR 17 -1.553 -12.196 -2.396 99 HB THR 17 HB THR 17 -1.288 -9.667 -4.107 100 HG1 THR 17 1HG THR 17 -3.194 -10.450 -4.946 101 1HG2 THR 17 1HG2 THR 17 -0.068 -10.918 -5.604 102 2HG2 THR 17 2HG2 THR 17 0.276 -11.977 -4.216 103 3HG2 THR 17 3HG2 THR 17 -1.062 -12.367 -5.322 104 H VAL 18 H VAL 18 -0.337 -12.266 -0.430 105 HA VAL 18 HA VAL 18 1.601 -10.273 0.115 106 HB VAL 18 HB VAL 18 1.653 -13.109 1.115 107 1HG1 VAL 18 1HG1 VAL 18 2.538 -10.416 2.147 108 2HG1 VAL 18 2HG1 VAL 18 2.236 -11.771 3.263 109 3HG1 VAL 18 3HG1 VAL 18 3.468 -11.925 1.987 110 1HG2 VAL 18 1HG2 VAL 18 -0.384 -10.972 1.674 111 2HG2 VAL 18 2HG2 VAL 18 -0.600 -12.727 1.473 112 3HG2 VAL 18 3HG2 VAL 18 0.104 -12.084 2.975 113 H VAL 19 H VAL 19 2.563 -10.094 -2.075 114 HA VAL 19 HA VAL 19 4.326 -12.347 -2.704 115 HB VAL 19 HB VAL 19 4.558 -11.125 -4.891 116 1HG1 VAL 19 1HG1 VAL 19 1.927 -11.614 -5.378 117 2HG1 VAL 19 2HG1 VAL 19 3.174 -12.877 -5.254 118 3HG1 VAL 19 3HG1 VAL 19 2.149 -12.498 -3.849 119 1HG2 VAL 19 1HG2 VAL 19 2.085 -9.674 -4.768 120 2HG2 VAL 19 2HG2 VAL 19 3.160 -9.096 -3.471 121 3HG2 VAL 19 3HG2 VAL 19 3.716 -9.079 -5.163 122 H LYS 20 H LYS 20 6.499 -11.486 -3.782 123 HA LYS 20 HA LYS 20 7.910 -10.228 -1.727 124 1HB LYS 20 1HB LYS 20 8.441 -11.513 -4.228 125 2HB LYS 20 2HB LYS 20 9.373 -10.006 -4.148 126 1HG LYS 20 1HG LYS 20 10.162 -10.705 -1.858 127 2HG LYS 20 2HG LYS 20 9.340 -12.258 -2.085 128 1HD LYS 20 1HD LYS 20 10.891 -13.002 -3.615 129 2HD LYS 20 2HD LYS 20 11.203 -11.383 -4.266 130 1HE LYS 20 1HE LYS 20 12.774 -10.887 -2.626 131 2HE LYS 20 2HE LYS 20 12.049 -11.974 -1.432 132 1HZ LYS 20 1HZ LYS 20 12.806 -13.777 -3.014 133 2HZ LYS 20 2HZ LYS 20 13.757 -12.645 -3.706 134 3HZ LYS 20 3HZ LYS 20 13.959 -13.030 -2.132 135 H VAL 21 H VAL 21 8.792 -8.124 -1.523 136 HA VAL 21 HA VAL 21 7.912 -6.157 -3.477 137 HB VAL 21 HB VAL 21 7.108 -6.233 -0.576 138 1HG1 VAL 21 1HG1 VAL 21 6.192 -3.806 -1.460 139 2HG1 VAL 21 2HG1 VAL 21 7.640 -4.047 -0.455 140 3HG1 VAL 21 3HG1 VAL 21 7.799 -3.884 -2.221 141 1HG2 VAL 21 1HG2 VAL 21 4.990 -5.293 -2.055 142 2HG2 VAL 21 2HG2 VAL 21 5.760 -6.431 -3.186 143 3HG2 VAL 21 3HG2 VAL 21 5.240 -6.988 -1.577 144 H ALA 22 H ALA 22 9.255 -4.291 -3.529 145 HA ALA 22 HA ALA 22 11.395 -4.135 -1.586 146 1HB ALA 22 1HB ALA 22 11.727 -5.457 -4.112 147 2HB ALA 22 2HB ALA 22 12.630 -3.924 -4.160 148 3HB ALA 22 3HB ALA 22 12.955 -5.109 -2.872 149 H GLY 23 H GLY 23 12.526 -2.051 -1.704 150 1HA GLY 23 1HA GLY 23 12.782 0.094 -2.632 151 2HA GLY 23 2HA GLY 23 11.236 -0.060 -3.443 152 H ALA 24 H ALA 24 11.491 2.258 -2.138 153 HA ALA 24 HA ALA 24 9.399 2.597 -0.570 154 1HB ALA 24 1HB ALA 24 10.502 2.523 1.809 155 2HB ALA 24 2HB ALA 24 9.886 1.018 1.087 156 3HB ALA 24 3HB ALA 24 11.630 1.372 1.054 157 H GLY 25 H GLY 25 10.577 4.184 1.637 158 1HA GLY 25 1HA GLY 25 11.108 6.560 0.204 159 2HA GLY 25 2HA GLY 25 11.250 6.310 1.933 160 H LEU 26 H LEU 26 13.076 3.860 0.561 161 HA LEU 26 HA LEU 26 15.262 3.487 0.563 162 1HB LEU 26 1HB LEU 26 15.077 4.330 -1.626 163 2HB LEU 26 2HB LEU 26 15.091 6.013 -1.072 164 HG LEU 26 HG LEU 26 17.497 5.173 -0.148 165 1HD1 LEU 26 1HD1 LEU 26 17.283 2.930 -1.069 166 2HD1 LEU 26 2HD1 LEU 26 17.027 3.602 -2.697 167 3HD1 LEU 26 3HD1 LEU 26 18.593 3.820 -1.880 168 1HD2 LEU 26 1HD2 LEU 26 17.058 6.146 -2.981 169 2HD2 LEU 26 2HD2 LEU 26 16.937 7.179 -1.537 170 3HD2 LEU 26 3HD2 LEU 26 18.485 6.400 -1.948 171 H GLN 27 H GLN 27 14.940 3.956 3.011 172 HA GLN 27 HA GLN 27 16.245 6.395 3.806 173 1HB GLN 27 1HB GLN 27 14.420 4.460 5.006 174 2HB GLN 27 2HB GLN 27 15.767 4.826 6.099 175 1HG GLN 27 1HG GLN 27 14.305 6.533 6.659 176 2HG GLN 27 2HG GLN 27 15.217 7.341 5.374 177 1HE2 GLN 27 1HE2 GLN 27 12.211 6.093 6.440 178 2HE2 GLN 27 2HE2 GLN 27 11.238 6.502 5.067 179 H ALA 28 H ALA 28 16.623 3.245 5.480 180 HA ALA 28 HA ALA 28 18.970 2.324 4.560 181 1HB ALA 28 1HB ALA 28 20.482 3.506 6.451 182 2HB ALA 28 2HB ALA 28 20.326 4.163 4.803 183 3HB ALA 28 3HB ALA 28 19.351 4.843 6.128 184 H GLY 29 H GLY 29 18.162 0.382 5.340 185 1HA GLY 29 1HA GLY 29 17.417 -1.139 6.846 186 2HA GLY 29 2HA GLY 29 18.835 -0.622 7.733 187 H THR 30 H THR 30 16.004 1.476 7.039 188 HA THR 30 HA THR 30 15.548 1.619 9.938 189 HB THR 30 HB THR 30 16.098 3.615 8.133 190 HG1 THR 30 1HG THR 30 15.914 4.310 10.236 191 1HG2 THR 30 1HG2 THR 30 14.139 4.740 7.431 192 2HG2 THR 30 2HG2 THR 30 13.692 3.044 7.134 193 3HG2 THR 30 3HG2 THR 30 13.111 3.874 8.597 194 H ALA 31 H ALA 31 13.359 1.694 10.758 195 HA ALA 31 HA ALA 31 11.808 -0.386 9.856 196 1HB ALA 31 1HB ALA 31 10.914 0.100 11.858 197 2HB ALA 31 2HB ALA 31 11.721 1.687 11.864 198 3HB ALA 31 3HB ALA 31 10.109 1.510 11.130 199 H TYR 32 H TYR 32 9.881 -0.540 8.606 200 HA TYR 32 HA TYR 32 9.004 1.836 7.198 201 1HB TYR 32 1HB TYR 32 10.652 -0.450 6.153 202 2HB TYR 32 2HB TYR 32 9.250 -0.057 5.153 203 HD1 TYR 32 1HD TYR 32 12.654 0.645 5.760 204 HD2 TYR 32 2HD TYR 32 8.999 2.523 4.570 205 HE1 TYR 32 1HE TYR 32 13.968 2.531 4.674 206 HE2 TYR 32 2HE TYR 32 10.325 4.402 3.487 207 HH TYR 32 HH TYR 32 13.118 4.305 2.514 208 H ASP 33 H ASP 33 7.091 1.373 8.528 209 HA ASP 33 HA ASP 33 5.804 -1.037 8.536 210 1HB ASP 33 1HB ASP 33 5.302 0.999 9.945 211 2HB ASP 33 2HB ASP 33 4.499 1.725 8.543 212 HD2 ASP 33 HD2 ASP 33 2.601 -0.983 10.700 213 H VAL 34 H VAL 34 4.417 -2.075 7.042 214 HA VAL 34 HA VAL 34 4.373 -1.071 4.386 215 HB VAL 34 HB VAL 34 2.928 -3.388 5.687 216 1HG1 VAL 34 1HG1 VAL 34 3.050 -2.378 2.894 217 2HG1 VAL 34 2HG1 VAL 34 3.241 -4.134 3.110 218 3HG1 VAL 34 3HG1 VAL 34 1.786 -3.315 3.724 219 1HG2 VAL 34 1HG2 VAL 34 4.750 -4.771 4.796 220 2HG2 VAL 34 2HG2 VAL 34 5.558 -3.315 4.169 221 3HG2 VAL 34 3HG2 VAL 34 5.369 -3.540 5.925 222 H GLY 35 H GLY 35 2.558 -0.362 3.145 223 1HA GLY 35 1HA GLY 35 0.234 0.472 4.775 224 2HA GLY 35 2HA GLY 35 1.019 1.549 3.638 225 H GLN 36 H GLN 36 -1.371 1.510 2.837 226 HA GLN 36 HA GLN 36 -1.461 0.353 0.403 227 1HB GLN 36 1HB GLN 36 -2.270 -1.530 2.534 228 2HB GLN 36 2HB GLN 36 -3.455 -1.381 1.224 229 1HG GLN 36 1HG GLN 36 -0.855 -1.509 0.033 230 2HG GLN 36 2HG GLN 36 -0.934 -2.799 1.242 231 1HE2 GLN 36 1HE2 GLN 36 -3.029 -1.246 -1.192 232 2HE2 GLN 36 2HE2 GLN 36 -3.676 -2.698 -1.881 233 H CYS 37 H CYS 37 -2.659 1.997 -0.457 234 HA CYS 37 HA CYS 37 -5.130 2.676 0.967 235 1HB CYS 37 1HB CYS 37 -3.536 4.535 -0.780 236 2HB CYS 37 2HB CYS 37 -4.921 4.939 0.249 237 H ALA 38 H ALA 38 -6.749 3.760 -0.725 238 HA ALA 38 HA ALA 38 -6.482 2.431 -3.321 239 1HB ALA 38 1HB ALA 38 -8.776 1.639 -3.190 240 2HB ALA 38 2HB ALA 38 -7.883 1.041 -1.771 241 3HB ALA 38 3HB ALA 38 -8.996 2.420 -1.606 242 H TRP 39 H TRP 39 -8.476 3.314 -4.755 243 HA TRP 39 HA TRP 39 -8.600 6.209 -4.245 244 1HB TRP 39 1HB TRP 39 -7.100 5.330 -6.149 245 2HB TRP 39 2HB TRP 39 -8.613 5.006 -6.997 246 HD1 TRP 39 HD TRP 39 -7.409 8.152 -4.987 247 HE1 TRP 39 1HE TRP 39 -7.792 10.345 -6.404 248 HE3 TRP 39 3HE TRP 39 -9.296 5.804 -9.083 249 HZ2 TRP 39 2HZ TRP 39 -8.818 10.841 -9.020 250 HZ3 TRP 39 3HZ TRP 39 -9.964 7.216 -11.026 251 HH2 TRP 39 HH TRP 39 -9.751 9.651 -11.038 252 H VAL 40 H VAL 40 -10.633 7.219 -4.760 253 HA VAL 40 HA VAL 40 -12.787 5.358 -5.445 254 HB VAL 40 HB VAL 40 -12.744 7.323 -3.146 255 1HG1 VAL 40 1HG1 VAL 40 -15.083 5.663 -3.166 256 2HG1 VAL 40 2HG1 VAL 40 -14.968 7.437 -3.242 257 3HG1 VAL 40 3HG1 VAL 40 -14.946 6.479 -4.742 258 1HG2 VAL 40 1HG2 VAL 40 -11.667 5.393 -2.382 259 2HG2 VAL 40 2HG2 VAL 40 -13.359 5.142 -1.889 260 3HG2 VAL 40 3HG2 VAL 40 -12.716 4.311 -3.327 261 H ASP 41 H ASP 41 -13.686 8.517 -4.355 262 HA ASP 41 HA ASP 41 -14.785 9.206 -6.758 263 1HB ASP 41 1HB ASP 41 -14.433 10.354 -4.150 264 2HB ASP 41 2HB ASP 41 -14.023 11.604 -5.335 265 HD2 ASP 41 HD2 ASP 41 -17.600 10.543 -6.317 266 H THR 42 H THR 42 -14.083 11.634 -7.710 267 HA THR 42 HA THR 42 -11.575 11.189 -8.971 268 HB THR 42 HB THR 42 -13.577 13.505 -8.920 269 HG1 THR 42 1HG THR 42 -12.788 11.349 -10.751 270 1HG2 THR 42 1HG2 THR 42 -12.222 13.616 -11.334 271 2HG2 THR 42 2HG2 THR 42 -11.887 14.690 -9.955 272 3HG2 THR 42 3HG2 THR 42 -10.900 13.230 -10.206 273 H GLY 43 H GLY 43 -9.971 11.026 -7.369 274 1HA GLY 43 1HA GLY 43 -8.131 12.370 -6.658 275 2HA GLY 43 2HA GLY 43 -9.248 13.646 -6.215 276 H VAL 44 H VAL 44 -11.077 11.201 -5.229 277 HA VAL 44 HA VAL 44 -10.276 11.464 -2.514 278 HB VAL 44 HB VAL 44 -12.403 9.938 -3.998 279 1HG1 VAL 44 1HG1 VAL 44 -13.315 9.151 -1.889 280 2HG1 VAL 44 2HG1 VAL 44 -11.647 8.557 -2.074 281 3HG1 VAL 44 3HG1 VAL 44 -11.990 9.925 -0.988 282 1HG2 VAL 44 1HG2 VAL 44 -13.865 11.446 -2.555 283 2HG2 VAL 44 2HG2 VAL 44 -12.375 12.318 -2.125 284 3HG2 VAL 44 3HG2 VAL 44 -12.907 12.250 -3.822 285 H LEU 45 H LEU 45 -9.272 9.969 -1.151 286 HA LEU 45 HA LEU 45 -8.377 7.494 -2.436 287 1HB LEU 45 1HB LEU 45 -6.616 9.212 -2.551 288 2HB LEU 45 2HB LEU 45 -6.629 9.320 -0.782 289 HG LEU 45 HG LEU 45 -6.257 6.619 -1.255 290 1HD1 LEU 45 1HD1 LEU 45 -4.915 6.207 -3.043 291 2HD1 LEU 45 2HD1 LEU 45 -5.863 7.553 -3.719 292 3HD1 LEU 45 3HD1 LEU 45 -4.235 7.852 -3.063 293 1HD2 LEU 45 1HD2 LEU 45 -3.858 7.127 -0.625 294 2HD2 LEU 45 2HD2 LEU 45 -4.304 8.850 -0.667 295 3HD2 LEU 45 3HD2 LEU 45 -5.110 7.750 0.477 296 H ALA 46 H ALA 46 -8.501 5.681 -1.145 297 HA ALA 46 HA ALA 46 -9.434 6.185 1.598 298 1HB ALA 46 1HB ALA 46 -9.996 3.598 0.207 299 2HB ALA 46 2HB ALA 46 -11.003 4.526 1.343 300 3HB ALA 46 3HB ALA 46 -10.882 5.034 -0.359 301 H CYS 47 H CYS 47 -7.398 6.171 2.617 302 HA CYS 47 HA CYS 47 -5.455 4.229 1.996 303 1HB CYS 47 1HB CYS 47 -5.773 6.464 3.818 304 2HB CYS 47 2HB CYS 47 -4.893 5.118 4.561 305 H ASN 48 H ASN 48 -4.734 2.466 3.493 306 HA ASN 48 HA ASN 48 -7.041 1.397 4.917 307 1HB ASN 48 1HB ASN 48 -6.005 0.129 2.903 308 2HB ASN 48 2HB ASN 48 -4.618 -0.196 3.954 309 1HD2 ASN 48 1HD2 ASN 48 -6.270 -2.147 2.793 310 2HD2 ASN 48 2HD2 ASN 48 -7.110 -3.010 4.039 311 HA PRO 49 HA PRO 49 -3.954 2.257 8.114 312 1HB PRO 49 1HB PRO 49 -5.712 3.037 10.056 313 2HB PRO 49 2HB PRO 49 -4.951 4.164 8.934 314 1HG PRO 49 1HG PRO 49 -7.693 3.076 8.964 315 2HG PRO 49 2HG PRO 49 -7.080 4.556 8.139 316 1HD PRO 49 1HD PRO 49 -7.748 2.020 6.988 317 2HD PRO 49 2HD PRO 49 -6.997 3.390 6.159 318 H ALA 50 H ALA 50 -4.960 -0.302 7.309 319 HA ALA 50 HA ALA 50 -4.852 -1.521 9.969 320 1HB ALA 50 1HB ALA 50 -7.234 -1.315 8.838 321 2HB ALA 50 2HB ALA 50 -6.652 -2.675 7.848 322 3HB ALA 50 3HB ALA 50 -6.739 -2.836 9.618 323 H ASP 51 H ASP 51 -3.306 -0.990 7.157 324 HA ASP 51 HA ASP 51 -2.799 -3.289 5.913 325 1HB ASP 51 1HB ASP 51 -0.473 -1.558 6.775 326 2HB ASP 51 2HB ASP 51 -0.748 -2.327 5.204 327 HD2 ASP 51 HD2 ASP 51 -2.828 0.321 4.185 328 H PHE 52 H PHE 52 -1.316 -2.076 8.998 329 HA PHE 52 HA PHE 52 -0.368 -3.127 10.691 330 1HB PHE 52 1HB PHE 52 -2.118 -5.047 9.441 331 2HB PHE 52 2HB PHE 52 -0.623 -5.915 9.807 332 HD1 PHE 52 1HD PHE 52 -2.567 -3.279 11.611 333 HD2 PHE 52 2HD PHE 52 -0.902 -7.181 11.707 334 HE1 PHE 52 1HE PHE 52 -3.321 -3.542 13.991 335 HE2 PHE 52 2HE PHE 52 -1.656 -7.444 14.087 336 HZ PHE 52 HZ PHE 52 -2.856 -5.622 15.200 337 H SER 53 H SER 53 0.215 -5.127 7.706 338 HA SER 53 HA SER 53 2.520 -6.227 8.161 339 1HB SER 53 1HB SER 53 1.483 -4.775 5.752 340 2HB SER 53 2HB SER 53 3.159 -5.353 5.701 341 HG SER 53 HG SER 53 1.917 -7.439 6.596 342 H SER 54 H SER 54 4.810 -5.711 8.104 343 HA SER 54 HA SER 54 5.571 -2.986 7.830 344 1HB SER 54 1HB SER 54 6.612 -2.864 10.122 345 2HB SER 54 2HB SER 54 4.840 -2.840 10.133 346 HG SER 54 HG SER 54 6.524 -5.150 10.619 347 H VAL 55 H VAL 55 7.911 -2.773 7.622 348 HA VAL 55 HA VAL 55 9.495 -5.164 7.953 349 HB VAL 55 HB VAL 55 8.279 -5.114 5.643 350 1HG1 VAL 55 1HG1 VAL 55 8.932 -3.649 4.055 351 2HG1 VAL 55 2HG1 VAL 55 9.437 -2.652 5.440 352 3HG1 VAL 55 3HG1 VAL 55 10.629 -3.663 4.591 353 1HG2 VAL 55 1HG2 VAL 55 10.967 -5.956 6.473 354 2HG2 VAL 55 2HG2 VAL 55 9.699 -6.855 5.606 355 3HG2 VAL 55 3HG2 VAL 55 10.791 -5.771 4.711 356 H THR 56 H THR 56 11.714 -4.212 6.382 357 HA THR 56 HA THR 56 12.242 -1.560 7.500 358 HB THR 56 HB THR 56 13.814 -4.132 8.015 359 HG1 THR 56 1HG THR 56 13.031 -3.669 10.066 360 1HG2 THR 56 1HG2 THR 56 14.575 -1.211 8.538 361 2HG2 THR 56 2HG2 THR 56 15.387 -2.609 9.283 362 3HG2 THR 56 3HG2 THR 56 15.472 -2.364 7.521 363 H ALA 57 H ALA 57 14.469 -0.754 6.644 364 HA ALA 57 HA ALA 57 14.345 -1.174 3.775 365 1HB ALA 57 1HB ALA 57 14.797 1.025 3.774 366 2HB ALA 57 2HB ALA 57 14.886 1.003 5.551 367 3HB ALA 57 3HB ALA 57 16.352 0.716 4.584 368 H ASP 58 H ASP 58 16.744 -0.963 2.737 369 HA ASP 58 HA ASP 58 18.430 -2.815 4.218 370 1HB ASP 58 1HB ASP 58 19.051 -3.727 1.872 371 2HB ASP 58 2HB ASP 58 17.501 -4.234 2.560 372 HD2 ASP 58 HD2 ASP 58 16.362 -3.383 -0.590 373 H ALA 59 H ALA 59 20.466 -1.879 4.465 374 HA ALA 59 HA ALA 59 21.936 -0.157 4.307 375 1HB ALA 59 1HB ALA 59 23.242 -0.500 2.093 376 2HB ALA 59 2HB ALA 59 23.088 -1.891 3.192 377 3HB ALA 59 3HB ALA 59 22.050 -1.777 1.751 378 H ASN 60 H ASN 60 21.262 -0.091 0.798 379 HA ASN 60 HA ASN 60 21.392 2.467 0.365 380 1HB ASN 60 1HB ASN 60 20.041 0.256 -0.885 381 2HB ASN 60 2HB ASN 60 18.955 1.650 -0.980 382 1HD2 ASN 60 1HD2 ASN 60 20.288 0.313 -3.125 383 2HD2 ASN 60 2HD2 ASN 60 21.340 1.444 -3.910 384 H GLY 61 H GLY 61 18.461 0.756 1.648 385 1HA GLY 61 1HA GLY 61 17.344 2.008 3.478 386 2HA GLY 61 2HA GLY 61 17.329 3.387 2.397 387 H SER 62 H SER 62 17.001 0.510 0.575 388 HA SER 62 HA SER 62 14.222 1.116 0.188 389 1HB SER 62 1HB SER 62 16.368 -0.297 -1.287 390 2HB SER 62 2HB SER 62 14.760 -1.017 -1.474 391 HG SER 62 HG SER 62 15.052 0.557 -3.099 392 H ALA 63 H ALA 63 12.484 -0.340 0.603 393 HA ALA 63 HA ALA 63 12.988 -2.204 2.705 394 1HB ALA 63 1HB ALA 63 10.747 -2.020 3.055 395 2HB ALA 63 2HB ALA 63 10.882 -0.628 1.953 396 3HB ALA 63 3HB ALA 63 10.359 -2.211 1.329 397 H SER 64 H SER 64 12.051 -4.502 2.564 398 HA SER 64 HA SER 64 11.900 -5.644 -0.010 399 1HB SER 64 1HB SER 64 13.889 -7.262 0.562 400 2HB SER 64 2HB SER 64 14.233 -5.686 -0.176 401 HG SER 64 HG SER 64 14.492 -6.477 2.591 402 H THR 65 H THR 65 10.122 -6.902 0.449 403 HA THR 65 HA THR 65 10.291 -9.168 2.024 404 HB THR 65 HB THR 65 10.434 -7.549 3.933 405 HG1 THR 65 1HG THR 65 8.452 -8.510 4.956 406 1HG2 THR 65 1HG2 THR 65 7.929 -6.578 4.351 407 2HG2 THR 65 2HG2 THR 65 9.190 -5.612 3.546 408 3HG2 THR 65 3HG2 THR 65 7.971 -6.472 2.574 409 H SER 66 H SER 66 7.830 -9.878 2.656 410 HA SER 66 HA SER 66 6.513 -9.625 0.107 411 1HB SER 66 1HB SER 66 5.693 -11.345 2.473 412 2HB SER 66 2HB SER 66 5.224 -11.557 0.776 413 HG SER 66 HG SER 66 6.888 -13.051 1.361 414 H LEU 67 H LEU 67 4.762 -8.293 -0.216 415 HA LEU 67 HA LEU 67 3.436 -7.278 2.200 416 1HB LEU 67 1HB LEU 67 3.984 -5.974 -0.456 417 2HB LEU 67 2HB LEU 67 2.874 -5.305 0.753 418 HG LEU 67 HG LEU 67 5.841 -5.374 0.676 419 1HD1 LEU 67 1HD1 LEU 67 5.284 -3.215 0.475 420 2HD1 LEU 67 2HD1 LEU 67 3.661 -3.462 1.163 421 3HD1 LEU 67 3HD1 LEU 67 5.064 -3.267 2.241 422 1HD2 LEU 67 1HD2 LEU 67 5.681 -6.724 2.591 423 2HD2 LEU 67 2HD2 LEU 67 5.878 -5.067 3.211 424 3HD2 LEU 67 3HD2 LEU 67 4.270 -5.834 3.213 425 H THR 68 H THR 68 1.197 -7.379 2.332 426 HA THR 68 HA THR 68 -0.037 -9.203 0.457 427 HB THR 68 HB THR 68 -0.307 -9.359 2.965 428 HG1 THR 68 1HG THR 68 -2.290 -10.125 2.340 429 1HG2 THR 68 1HG2 THR 68 -1.653 -7.761 4.157 430 2HG2 THR 68 2HG2 THR 68 -0.474 -6.772 3.263 431 3HG2 THR 68 3HG2 THR 68 -2.140 -6.939 2.655 432 H VAL 69 H VAL 69 -0.734 -8.480 -1.456 433 HA VAL 69 HA VAL 69 -1.509 -5.727 -1.733 434 HB VAL 69 HB VAL 69 -1.870 -7.854 -3.815 435 1HG1 VAL 69 1HG1 VAL 69 -0.693 -5.684 -4.998 436 2HG1 VAL 69 2HG1 VAL 69 -2.449 -5.956 -4.888 437 3HG1 VAL 69 3HG1 VAL 69 -1.634 -4.913 -3.698 438 1HG2 VAL 69 1HG2 VAL 69 0.747 -6.728 -4.053 439 2HG2 VAL 69 2HG2 VAL 69 0.579 -7.407 -2.417 440 3HG2 VAL 69 3HG2 VAL 69 0.282 -8.432 -3.841 441 H ARG 70 H ARG 70 -3.208 -6.151 0.080 442 HA ARG 70 HA ARG 70 -5.407 -7.714 -0.470 443 1HB ARG 70 1HB ARG 70 -6.564 -6.178 1.217 444 2HB ARG 70 2HB ARG 70 -5.049 -6.904 1.783 445 1HG ARG 70 1HG ARG 70 -4.353 -4.480 0.460 446 2HG ARG 70 2HG ARG 70 -5.743 -4.099 1.491 447 1HD ARG 70 1HD ARG 70 -4.219 -3.920 3.165 448 2HD ARG 70 2HD ARG 70 -4.169 -5.689 3.151 449 HE ARG 70 HE ARG 70 -2.397 -4.754 1.134 450 1HH1 ARG 70 1HH1 ARG 70 -2.679 -4.688 4.642 451 2HH1 ARG 70 2HH1 ARG 70 -0.969 -4.605 4.905 452 1HH2 ARG 70 1HH2 ARG 70 -0.141 -4.644 1.482 453 2HH2 ARG 70 2HH2 ARG 70 0.484 -4.580 3.096 454 H ARG 71 H ARG 71 -7.119 -7.445 -1.884 455 HA ARG 71 HA ARG 71 -7.142 -5.060 -3.441 456 1HB ARG 71 1HB ARG 71 -9.220 -6.340 -4.465 457 2HB ARG 71 2HB ARG 71 -7.587 -6.958 -4.763 458 1HG ARG 71 1HG ARG 71 -8.076 -8.888 -3.702 459 2HG ARG 71 2HG ARG 71 -8.623 -8.022 -2.257 460 1HD ARG 71 1HD ARG 71 -10.780 -8.455 -2.768 461 2HD ARG 71 2HD ARG 71 -10.595 -7.745 -4.379 462 HE ARG 71 HE ARG 71 -9.377 -10.217 -4.617 463 1HH1 ARG 71 1HH1 ARG 71 -12.547 -9.168 -3.508 464 2HH1 ARG 71 2HH1 ARG 71 -13.341 -10.628 -3.993 465 1HH2 ARG 71 1HH2 ARG 71 -10.425 -12.144 -5.259 466 2HH2 ARG 71 2HH2 ARG 71 -12.126 -12.332 -4.996 467 H SER 72 H SER 72 -9.905 -6.916 -1.969 468 HA SER 72 HA SER 72 -11.289 -4.441 -1.593 469 1HB SER 72 1HB SER 72 -13.133 -5.942 -0.771 470 2HB SER 72 2HB SER 72 -12.574 -6.329 -2.408 471 HG SER 72 HG SER 72 -12.880 -8.103 -0.633 472 H PHE 73 H PHE 73 -11.181 -3.244 0.271 473 HA PHE 73 HA PHE 73 -11.143 -4.526 2.811 474 1HB PHE 73 1HB PHE 73 -8.928 -3.451 3.446 475 2HB PHE 73 2HB PHE 73 -8.736 -4.695 2.205 476 HD1 PHE 73 1HD PHE 73 -9.244 -1.011 2.541 477 HD2 PHE 73 2HD PHE 73 -7.501 -4.180 0.320 478 HE1 PHE 73 1HE PHE 73 -8.082 0.659 1.070 479 HE2 PHE 73 2HE PHE 73 -6.340 -2.510 -1.152 480 HZ PHE 73 HZ PHE 73 -6.645 -0.111 -0.759 481 H GLU 74 H GLU 74 -10.600 -2.618 4.559 482 HA GLU 74 HA GLU 74 -12.527 -0.623 3.894 483 1HB GLU 74 1HB GLU 74 -10.856 -0.901 6.419 484 2HB GLU 74 2HB GLU 74 -12.355 0.026 6.241 485 1HG GLU 74 1HG GLU 74 -13.607 -1.815 6.621 486 2HG GLU 74 2HG GLU 74 -12.739 -2.742 5.387 487 HE2 GLU 74 HE2 GLU 74 -10.754 -2.829 8.810 488 H GLY 75 H GLY 75 -12.134 1.471 3.251 489 1HA GLY 75 1HA GLY 75 -9.308 2.348 3.279 490 2HA GLY 75 2HA GLY 75 -10.461 2.731 2.016 491 H PHE 76 H PHE 76 -8.988 4.714 3.484 492 HA PHE 76 HA PHE 76 -11.235 6.042 4.809 493 1HB PHE 76 1HB PHE 76 -9.466 5.046 6.390 494 2HB PHE 76 2HB PHE 76 -8.265 6.083 5.611 495 HD1 PHE 76 1HD PHE 76 -11.082 5.946 7.924 496 HD2 PHE 76 2HD PHE 76 -8.297 8.497 5.990 497 HE1 PHE 76 1HE PHE 76 -11.645 7.783 9.538 498 HE2 PHE 76 2HE PHE 76 -8.861 10.335 7.603 499 HZ PHE 76 HZ PHE 76 -10.528 9.956 9.358 500 H LEU 77 H LEU 77 -11.576 8.131 4.138 501 HA LEU 77 HA LEU 77 -10.582 9.123 1.857 502 1HB LEU 77 1HB LEU 77 -11.733 10.343 4.307 503 2HB LEU 77 2HB LEU 77 -11.038 11.429 3.088 504 HG LEU 77 HG LEU 77 -13.067 9.337 2.332 505 1HD1 LEU 77 1HD1 LEU 77 -14.749 10.333 3.377 506 2HD1 LEU 77 2HD1 LEU 77 -13.571 11.373 4.215 507 3HD1 LEU 77 3HD1 LEU 77 -14.303 11.911 2.684 508 1HD2 LEU 77 1HD2 LEU 77 -13.326 10.508 0.379 509 2HD2 LEU 77 2HD2 LEU 77 -12.838 12.057 1.106 510 3HD2 LEU 77 3HD2 LEU 77 -11.610 10.827 0.723 511 H PHE 78 H PHE 78 -9.310 10.033 5.143 512 HA PHE 78 HA PHE 78 -6.741 9.666 4.909 513 1HB PHE 78 1HB PHE 78 -6.343 10.712 2.830 514 2HB PHE 78 2HB PHE 78 -7.674 11.856 3.040 515 HD1 PHE 78 1HD PHE 78 -7.327 13.874 4.450 516 HD2 PHE 78 2HD PHE 78 -4.132 11.256 3.480 517 HE1 PHE 78 1HE PHE 78 -5.676 15.652 5.093 518 HE2 PHE 78 2HE PHE 78 -2.481 13.032 4.124 519 HZ PHE 78 HZ PHE 78 -3.272 15.209 4.923 520 H ASP 79 H ASP 79 -9.299 12.011 5.590 521 HA ASP 79 HA ASP 79 -8.608 12.285 8.204 522 1HB ASP 79 1HB ASP 79 -6.707 13.627 6.821 523 2HB ASP 79 2HB ASP 79 -7.920 14.913 6.920 524 HD2 ASP 79 HD2 ASP 79 -6.065 15.524 9.820 525 H GLY 80 H GLY 80 -10.995 11.895 6.933 526 1HA GLY 80 1HA GLY 80 -12.501 14.280 7.597 527 2HA GLY 80 2HA GLY 80 -12.537 13.835 5.903 528 H THR 81 H THR 81 -12.602 11.085 5.855 529 HA THR 81 HA THR 81 -14.542 10.120 7.761 530 HB THR 81 HB THR 81 -15.317 11.274 5.170 531 HG1 THR 81 1HG THR 81 -16.568 9.971 7.484 532 1HG2 THR 81 1HG2 THR 81 -15.175 8.756 4.571 533 2HG2 THR 81 2HG2 THR 81 -16.410 8.497 5.827 534 3HG2 THR 81 3HG2 THR 81 -16.781 9.505 4.407 535 H ARG 82 H ARG 82 -15.181 7.780 7.164 536 HA ARG 82 HA ARG 82 -12.836 6.575 5.927 537 1HB ARG 82 1HB ARG 82 -12.923 6.280 8.423 538 2HB ARG 82 2HB ARG 82 -14.478 5.448 8.252 539 1HG ARG 82 1HG ARG 82 -12.323 4.393 6.517 540 2HG ARG 82 2HG ARG 82 -12.000 4.214 8.249 541 1HD ARG 82 1HD ARG 82 -14.677 3.462 8.012 542 2HD ARG 82 2HD ARG 82 -13.955 2.812 6.530 543 HE ARG 82 HE ARG 82 -12.223 2.183 8.699 544 1HH1 ARG 82 1HH1 ARG 82 -15.457 1.373 7.570 545 2HH1 ARG 82 2HH1 ARG 82 -15.455 -0.199 8.298 546 1HH2 ARG 82 1HH2 ARG 82 -12.221 0.110 9.659 547 2HH2 ARG 82 2HH2 ARG 82 -13.603 -0.923 9.495 548 H TRP 83 H TRP 83 -13.312 5.257 4.185 549 HA TRP 83 HA TRP 83 -15.953 4.971 3.298 550 1HB TRP 83 1HB TRP 83 -13.277 3.976 2.485 551 2HB TRP 83 2HB TRP 83 -14.684 3.120 1.855 552 HD1 TRP 83 HD TRP 83 -12.480 5.619 0.634 553 HE1 TRP 83 1HE TRP 83 -13.523 7.358 -1.054 554 HE3 TRP 83 3HE TRP 83 -17.329 4.647 1.815 555 HZ2 TRP 83 2HZ TRP 83 -16.201 8.116 -1.691 556 HZ3 TRP 83 3HZ TRP 83 -19.097 5.932 0.614 557 HH2 TRP 83 HH TRP 83 -18.596 7.615 -1.086 558 H GLY 84 H GLY 84 -13.814 2.113 3.737 559 1HA GLY 84 1HA GLY 84 -14.102 0.446 5.382 560 2HA GLY 84 2HA GLY 84 -15.762 0.954 5.615 561 H THR 85 H THR 85 -14.420 -1.717 4.820 562 HA THR 85 HA THR 85 -14.512 -3.217 3.075 563 HB THR 85 HB THR 85 -17.007 -2.716 4.579 564 HG1 THR 85 1HG THR 85 -16.663 -5.086 4.692 565 1HG2 THR 85 1HG2 THR 85 -17.075 -3.997 1.817 566 2HG2 THR 85 2HG2 THR 85 -18.123 -4.607 3.119 567 3HG2 THR 85 3HG2 THR 85 -18.278 -2.922 2.569 568 H VAL 86 H VAL 86 -13.689 -2.199 1.221 569 HA VAL 86 HA VAL 86 -15.757 -1.696 -0.747 570 HB VAL 86 HB VAL 86 -14.825 0.451 0.574 571 1HG1 VAL 86 1HG1 VAL 86 -13.031 0.377 -1.862 572 2HG1 VAL 86 2HG1 VAL 86 -13.023 1.533 -0.508 573 3HG1 VAL 86 3HG1 VAL 86 -12.475 -0.142 -0.253 574 1HG2 VAL 86 1HG2 VAL 86 -15.169 0.816 -2.374 575 2HG2 VAL 86 2HG2 VAL 86 -16.501 0.068 -1.462 576 3HG2 VAL 86 3HG2 VAL 86 -15.918 1.688 -1.015 577 H ASP 87 H ASP 87 -15.173 -2.509 -2.730 578 HA ASP 87 HA ASP 87 -12.826 -4.044 -2.809 579 1HB ASP 87 1HB ASP 87 -14.271 -3.290 -5.331 580 2HB ASP 87 2HB ASP 87 -13.673 -4.876 -4.820 581 HD2 ASP 87 HD2 ASP 87 -16.646 -5.459 -2.993 582 H CYS 88 H CYS 88 -10.832 -2.975 -2.970 583 HA CYS 88 HA CYS 88 -10.584 -0.431 -4.137 584 1HB CYS 88 1HB CYS 88 -8.470 -0.458 -3.400 585 2HB CYS 88 2HB CYS 88 -9.111 -1.758 -2.380 586 H THR 89 H THR 89 -10.514 -3.763 -5.312 587 HA THR 89 HA THR 89 -8.963 -3.506 -7.589 588 HB THR 89 HB THR 89 -9.645 -5.693 -6.947 589 HG1 THR 89 1HG THR 89 -9.913 -5.437 -9.238 590 1HG2 THR 89 1HG2 THR 89 -11.554 -5.812 -5.664 591 2HG2 THR 89 2HG2 THR 89 -12.239 -4.346 -6.405 592 3HG2 THR 89 3HG2 THR 89 -12.408 -5.917 -7.223 593 H THR 90 H THR 90 -11.959 -1.949 -6.811 594 HA THR 90 HA THR 90 -12.761 -1.605 -9.557 595 HB THR 90 HB THR 90 -13.809 -1.155 -6.835 596 HG1 THR 90 1HG THR 90 -15.026 -2.468 -8.181 597 1HG2 THR 90 1HG2 THR 90 -14.337 0.903 -9.043 598 2HG2 THR 90 2HG2 THR 90 -15.375 0.678 -7.614 599 3HG2 THR 90 3HG2 THR 90 -13.699 1.243 -7.416 600 H ALA 91 H ALA 91 -10.521 -0.107 -7.363 601 HA ALA 91 HA ALA 91 -10.160 2.016 -9.348 602 1HB ALA 91 1HB ALA 91 -11.349 2.440 -6.866 603 2HB ALA 91 2HB ALA 91 -9.643 2.863 -6.583 604 3HB ALA 91 3HB ALA 91 -10.561 3.678 -7.872 605 H ALA 92 H ALA 92 -8.892 -0.671 -8.676 606 HA ALA 92 HA ALA 92 -6.893 -1.520 -8.031 607 1HB ALA 92 1HB ALA 92 -5.282 -1.002 -9.702 608 2HB ALA 92 2HB ALA 92 -6.860 -0.686 -10.466 609 3HB ALA 92 3HB ALA 92 -5.873 0.669 -9.868 610 H CYS 93 H CYS 93 -6.664 -1.050 -5.803 611 HA CYS 93 HA CYS 93 -5.904 1.452 -4.847 612 1HB CYS 93 1HB CYS 93 -5.064 -0.037 -2.870 613 2HB CYS 93 2HB CYS 93 -6.795 0.179 -3.191 614 H GLN 94 H GLN 94 -3.638 1.133 -3.255 615 HA GLN 94 HA GLN 94 -1.558 0.183 -5.026 616 1HB GLN 94 1HB GLN 94 -0.300 2.239 -4.944 617 2HB GLN 94 2HB GLN 94 -1.931 2.634 -5.516 618 1HG GLN 94 1HG GLN 94 -1.488 2.740 -2.563 619 2HG GLN 94 2HG GLN 94 -0.661 3.985 -3.513 620 1HE2 GLN 94 1HE2 GLN 94 -1.848 5.458 -4.716 621 2HE2 GLN 94 2HE2 GLN 94 -3.531 5.762 -4.445 622 H VAL 95 H VAL 95 0.423 -0.362 -3.914 623 HA VAL 95 HA VAL 95 0.167 -0.269 -0.987 624 HB VAL 95 HB VAL 95 -0.307 -2.499 -1.863 625 1HG1 VAL 95 1HG1 VAL 95 2.527 -2.724 -2.860 626 2HG1 VAL 95 2HG1 VAL 95 1.113 -3.737 -3.233 627 3HG1 VAL 95 3HG1 VAL 95 1.242 -2.100 -3.920 628 1HG2 VAL 95 1HG2 VAL 95 1.223 -1.911 0.253 629 2HG2 VAL 95 2HG2 VAL 95 0.863 -3.586 -0.229 630 3HG2 VAL 95 3HG2 VAL 95 2.415 -2.844 -0.685 631 H GLY 96 H GLY 96 1.828 0.731 0.038 632 1HA GLY 96 1HA GLY 96 4.438 0.829 -1.312 633 2HA GLY 96 2HA GLY 96 3.655 2.331 -0.863 634 H LEU 97 H LEU 97 6.044 2.015 0.299 635 HA LEU 97 HA LEU 97 5.612 0.729 2.882 636 1HB LEU 97 1HB LEU 97 7.956 1.514 1.246 637 2HB LEU 97 2HB LEU 97 8.143 1.546 3.008 638 HG LEU 97 HG LEU 97 8.934 -0.553 2.077 639 1HD1 LEU 97 1HD1 LEU 97 6.902 -0.317 4.097 640 2HD1 LEU 97 2HD1 LEU 97 6.753 -1.887 3.271 641 3HD1 LEU 97 3HD1 LEU 97 8.299 -1.417 4.017 642 1HD2 LEU 97 1HD2 LEU 97 6.430 -1.757 1.292 643 2HD2 LEU 97 2HD2 LEU 97 6.758 -0.303 0.320 644 3HD2 LEU 97 3HD2 LEU 97 7.959 -1.615 0.391 645 H SER 98 H SER 98 5.858 1.877 4.873 646 HA SER 98 HA SER 98 5.822 4.769 4.545 647 1HB SER 98 1HB SER 98 4.198 4.346 6.747 648 2HB SER 98 2HB SER 98 3.625 4.728 5.114 649 HG SER 98 HG SER 98 3.785 2.251 4.832 650 H ASP 99 H ASP 99 6.571 5.958 6.490 651 HA ASP 99 HA ASP 99 8.495 4.354 7.910 652 1HB ASP 99 1HB ASP 99 8.360 7.180 8.663 653 2HB ASP 99 2HB ASP 99 9.719 6.272 7.983 654 HD2 ASP 99 HD2 ASP 99 9.364 7.992 5.067 655 H ALA 100 H ALA 100 8.788 5.462 10.370 656 HA ALA 100 HA ALA 100 6.586 4.565 11.821 657 1HB ALA 100 1HB ALA 100 9.154 5.989 12.342 658 2HB ALA 100 2HB ALA 100 7.903 6.124 13.601 659 3HB ALA 100 3HB ALA 100 8.488 4.521 13.094 660 H ALA 101 H ALA 101 7.055 7.459 10.019 661 HA ALA 101 HA ALA 101 5.135 8.923 11.669 662 1HB ALA 101 1HB ALA 101 6.835 9.807 9.300 663 2HB ALA 101 2HB ALA 101 5.832 10.859 10.329 664 3HB ALA 101 3HB ALA 101 7.256 10.038 11.015 665 H GLY 102 H GLY 102 5.233 6.716 9.108 666 1HA GLY 102 1HA GLY 102 3.623 6.002 7.705 667 2HA GLY 102 2HA GLY 102 2.499 7.111 8.464 668 H ASN 103 H ASN 103 5.600 8.192 7.051 669 HA ASN 103 HA ASN 103 4.046 9.768 5.194 670 1HB ASN 103 1HB ASN 103 6.664 10.001 6.559 671 2HB ASN 103 2HB ASN 103 6.732 10.482 4.856 672 1HD2 ASN 103 1HD2 ASN 103 7.276 12.486 6.242 673 2HD2 ASN 103 2HD2 ASN 103 5.969 13.577 6.555 674 H GLY 104 H GLY 104 5.906 10.187 3.124 675 1HA GLY 104 1HA GLY 104 6.772 9.294 1.252 676 2HA GLY 104 2HA GLY 104 7.265 7.908 2.205 677 HA PRO 105 HA PRO 105 2.914 6.823 0.741 678 1HB PRO 105 1HB PRO 105 1.311 8.693 -0.436 679 2HB PRO 105 2HB PRO 105 1.250 8.318 1.284 680 1HG PRO 105 1HG PRO 105 2.451 10.622 -0.112 681 2HG PRO 105 2HG PRO 105 1.971 10.483 1.618 682 1HD PRO 105 1HD PRO 105 4.602 10.400 0.489 683 2HD PRO 105 2HD PRO 105 4.169 10.099 2.176 684 H GLU 106 H GLU 106 1.459 6.765 -1.482 685 HA GLU 106 HA GLU 106 1.506 6.452 -3.641 686 1HB GLU 106 1HB GLU 106 3.453 8.514 -3.332 687 2HB GLU 106 2HB GLU 106 4.109 7.357 -4.503 688 1HG GLU 106 1HG GLU 106 1.473 7.566 -5.308 689 2HG GLU 106 2HG GLU 106 1.799 9.209 -4.734 690 HE2 GLU 106 HE2 GLU 106 3.160 9.696 -7.866 691 H GLY 107 H GLY 107 1.717 4.188 -2.691 692 1HA GLY 107 1HA GLY 107 4.256 2.904 -2.666 693 2HA GLY 107 2HA GLY 107 2.676 2.148 -2.589 694 H VAL 108 H VAL 108 1.490 1.702 -4.605 695 HA VAL 108 HA VAL 108 2.557 2.235 -7.125 696 HB VAL 108 HB VAL 108 4.380 0.793 -6.436 697 1HG1 VAL 108 1HG1 VAL 108 2.151 -1.039 -5.621 698 2HG1 VAL 108 2HG1 VAL 108 3.682 -1.747 -6.188 699 3HG1 VAL 108 3HG1 VAL 108 3.673 -0.649 -4.785 700 1HG2 VAL 108 1HG2 VAL 108 3.736 0.735 -8.780 701 2HG2 VAL 108 2HG2 VAL 108 4.255 -0.885 -8.258 702 3HG2 VAL 108 3HG2 VAL 108 2.523 -0.523 -8.445 703 H ALA 109 H ALA 109 0.954 1.875 -8.624 704 HA ALA 109 HA ALA 109 -1.543 0.935 -7.613 705 1HB ALA 109 1HB ALA 109 -0.987 2.815 -9.352 706 2HB ALA 109 2HB ALA 109 -0.927 1.474 -10.521 707 3HB ALA 109 3HB ALA 109 -2.421 1.793 -9.608 708 H ILE 110 H ILE 110 -2.074 -1.178 -7.416 709 HA ILE 110 HA ILE 110 -0.849 -3.027 -9.341 710 HB ILE 110 HB ILE 110 -1.478 -3.246 -6.427 711 1HG1 ILE 110 1HG1 ILE 110 0.857 -4.385 -7.945 712 2HG1 ILE 110 2HG1 ILE 110 0.816 -2.680 -7.462 713 1HG2 ILE 110 1HG2 ILE 110 -1.784 -5.397 -8.458 714 2HG2 ILE 110 2HG2 ILE 110 -0.927 -5.810 -6.953 715 3HG2 ILE 110 3HG2 ILE 110 -2.587 -5.171 -6.887 716 1HD1 ILE 110 1HD1 ILE 110 0.104 -3.853 -5.107 717 2HD1 ILE 110 2HD1 ILE 110 1.111 -5.148 -5.802 718 3HD1 ILE 110 3HD1 ILE 110 1.794 -3.523 -5.557 719 H SER 111 H SER 111 -2.192 -4.720 -10.218 720 HA SER 111 HA SER 111 -4.856 -3.785 -10.594 721 1HB SER 111 1HB SER 111 -3.001 -5.661 -11.878 722 2HB SER 111 2HB SER 111 -4.654 -6.297 -11.820 723 HG SER 111 HG SER 111 -3.689 -3.862 -13.029 724 H PHE 112 H PHE 112 -5.768 -4.035 -8.440 725 HA PHE 112 HA PHE 112 -5.730 -6.611 -7.206 726 1HB PHE 112 1HB PHE 112 -7.254 -3.979 -6.789 727 2HB PHE 112 2HB PHE 112 -7.386 -5.339 -5.669 728 HD1 PHE 112 1HD PHE 112 -5.205 -2.674 -6.931 729 HD2 PHE 112 2HD PHE 112 -5.577 -5.865 -4.157 730 HE1 PHE 112 1HE PHE 112 -3.200 -1.824 -5.684 731 HE2 PHE 112 2HE PHE 112 -3.573 -5.014 -2.910 732 HZ PHE 112 HZ PHE 112 -2.408 -3.004 -3.688 733 H ASN 113 H ASN 113 -7.342 -8.175 -7.151 734 HA ASN 113 HA ASN 113 -8.889 -9.363 -8.188 735 1HB ASN 113 1HB ASN 113 -9.958 -7.562 -6.362 736 2HB ASN 113 2HB ASN 113 -10.996 -7.298 -7.771 737 1HD2 ASN 113 1HD2 ASN 113 -12.621 -8.150 -6.287 738 2HD2 ASN 113 2HD2 ASN 113 -12.867 -9.861 -6.175 Start of MODEL 32 1 H ALA 1 H ALA 1 15.221 12.193 -3.820 2 HA ALA 1 HA ALA 1 12.671 12.075 -4.415 3 1HB ALA 1 1HB ALA 1 14.085 11.072 -6.916 4 2HB ALA 1 2HB ALA 1 12.330 11.138 -6.625 5 3HB ALA 1 3HB ALA 1 13.262 12.645 -6.794 6 H ALA 2 H ALA 2 11.968 9.579 -5.086 7 HA ALA 2 HA ALA 2 13.953 7.742 -4.018 8 1HB ALA 2 1HB ALA 2 12.345 8.844 -2.204 9 2HB ALA 2 2HB ALA 2 11.196 7.638 -2.830 10 3HB ALA 2 3HB ALA 2 12.751 7.112 -2.144 11 HA PRO 3 HA PRO 3 12.031 5.093 -6.846 12 1HB PRO 3 1HB PRO 3 12.386 2.622 -5.737 13 2HB PRO 3 2HB PRO 3 13.658 3.481 -6.602 14 1HG PRO 3 1HG PRO 3 13.261 3.094 -3.704 15 2HG PRO 3 2HG PRO 3 14.771 3.535 -4.583 16 1HD PRO 3 1HD PRO 3 13.062 5.220 -3.019 17 2HD PRO 3 2HD PRO 3 14.446 5.733 -3.995 18 H THR 4 H THR 4 10.994 4.559 -3.546 19 HA THR 4 HA THR 4 8.864 4.533 -2.791 20 HB THR 4 HB THR 4 7.766 4.122 -5.591 21 HG1 THR 4 1HG THR 4 8.249 6.327 -5.968 22 1HG2 THR 4 1HG2 THR 4 5.833 4.917 -4.653 23 2HG2 THR 4 2HG2 THR 4 6.622 4.697 -3.071 24 3HG2 THR 4 3HG2 THR 4 6.697 6.276 -3.891 25 H ALA 5 H ALA 5 7.021 2.878 -2.607 26 HA ALA 5 HA ALA 5 8.297 0.283 -2.710 27 1HB ALA 5 1HB ALA 5 6.166 1.634 -1.186 28 2HB ALA 5 2HB ALA 5 5.770 -0.045 -1.627 29 3HB ALA 5 3HB ALA 5 7.251 0.308 -0.704 30 H THR 6 H THR 6 7.519 -1.518 -3.873 31 HA THR 6 HA THR 6 5.182 -1.159 -5.552 32 HB THR 6 HB THR 6 6.370 -1.370 -7.634 33 HG1 THR 6 1HG THR 6 8.789 -1.782 -7.380 34 1HG2 THR 6 1HG2 THR 6 8.084 0.406 -7.631 35 2HG2 THR 6 2HG2 THR 6 6.726 0.919 -6.601 36 3HG2 THR 6 3HG2 THR 6 8.223 0.304 -5.859 37 H VAL 7 H VAL 7 4.420 -3.159 -6.498 38 HA VAL 7 HA VAL 7 5.424 -5.447 -4.960 39 HB VAL 7 HB VAL 7 2.747 -5.313 -6.307 40 1HG1 VAL 7 1HG1 VAL 7 2.914 -6.538 -3.668 41 2HG1 VAL 7 2HG1 VAL 7 2.357 -7.225 -5.213 42 3HG1 VAL 7 3HG1 VAL 7 4.089 -7.245 -4.803 43 1HG2 VAL 7 1HG2 VAL 7 1.750 -4.349 -4.297 44 2HG2 VAL 7 2HG2 VAL 7 3.357 -4.195 -3.549 45 3HG2 VAL 7 3HG2 VAL 7 2.950 -3.233 -4.991 46 H THR 8 H THR 8 6.255 -7.201 -6.024 47 HA THR 8 HA THR 8 7.293 -7.124 -8.474 48 HB THR 8 HB THR 8 6.371 -9.216 -6.587 49 HG1 THR 8 1HG THR 8 8.552 -8.762 -8.502 50 1HG2 THR 8 1HG2 THR 8 5.392 -10.435 -8.374 51 2HG2 THR 8 2HG2 THR 8 6.486 -9.719 -9.582 52 3HG2 THR 8 3HG2 THR 8 7.091 -10.957 -8.455 53 HA PRO 9 HA PRO 9 3.320 -8.492 -10.573 54 1HB PRO 9 1HB PRO 9 0.987 -8.667 -9.162 55 2HB PRO 9 2HB PRO 9 2.030 -10.051 -9.477 56 1HG PRO 9 1HG PRO 9 1.672 -8.465 -7.014 57 2HG PRO 9 2HG PRO 9 2.344 -10.126 -7.192 58 1HD PRO 9 1HD PRO 9 3.753 -7.679 -6.717 59 2HD PRO 9 2HD PRO 9 4.469 -9.263 -7.044 60 H SER 10 H SER 10 1.484 -7.422 -11.660 61 HA SER 10 HA SER 10 1.323 -4.694 -10.642 62 1HB SER 10 1HB SER 10 1.303 -3.880 -12.965 63 2HB SER 10 2HB SER 10 2.795 -4.776 -12.631 64 HG SER 10 HG SER 10 1.842 -6.622 -13.706 65 H SER 11 H SER 11 -0.315 -7.512 -11.006 66 HA SER 11 HA SER 11 -2.811 -6.198 -10.968 67 1HB SER 11 1HB SER 11 -3.810 -7.326 -12.919 68 2HB SER 11 2HB SER 11 -2.483 -6.260 -13.417 69 HG SER 11 HG SER 11 -1.788 -8.943 -12.847 70 H GLY 12 H GLY 12 -4.623 -7.843 -10.583 71 1HA GLY 12 1HA GLY 12 -5.387 -9.532 -9.302 72 2HA GLY 12 2HA GLY 12 -4.343 -10.538 -10.285 73 H LEU 13 H LEU 13 -3.553 -7.960 -7.850 74 HA LEU 13 HA LEU 13 -1.457 -9.493 -6.759 75 1HB LEU 13 1HB LEU 13 -2.820 -7.220 -5.364 76 2HB LEU 13 2HB LEU 13 -1.114 -7.698 -5.319 77 HG LEU 13 HG LEU 13 -1.948 -6.969 -8.005 78 1HD1 LEU 13 1HD1 LEU 13 -1.994 -4.594 -6.192 79 2HD1 LEU 13 2HD1 LEU 13 -2.719 -4.826 -7.802 80 3HD1 LEU 13 3HD1 LEU 13 -3.477 -5.565 -6.370 81 1HD2 LEU 13 1HD2 LEU 13 0.326 -6.783 -6.286 82 2HD2 LEU 13 2HD2 LEU 13 0.222 -6.526 -8.045 83 3HD2 LEU 13 3HD2 LEU 13 -0.036 -5.163 -6.930 84 H SER 14 H SER 14 -4.672 -10.167 -6.711 85 HA SER 14 HA SER 14 -5.992 -11.349 -5.458 86 1HB SER 14 1HB SER 14 -4.691 -13.225 -5.381 87 2HB SER 14 2HB SER 14 -3.281 -12.364 -4.738 88 HG SER 14 HG SER 14 -5.255 -13.799 -3.418 89 H ASP 15 H ASP 15 -7.317 -10.959 -3.667 90 HA ASP 15 HA ASP 15 -6.646 -8.785 -2.061 91 1HB ASP 15 1HB ASP 15 -8.798 -9.019 -1.158 92 2HB ASP 15 2HB ASP 15 -8.977 -9.773 -2.751 93 HD2 ASP 15 HD2 ASP 15 -9.511 -11.926 0.504 94 H GLY 16 H GLY 16 -5.077 -8.935 -0.442 95 1HA GLY 16 1HA GLY 16 -4.264 -9.592 1.588 96 2HA GLY 16 2HA GLY 16 -5.377 -10.945 1.616 97 H THR 17 H THR 17 -3.250 -10.231 -1.174 98 HA THR 17 HA THR 17 -1.872 -12.767 -0.632 99 HB THR 17 HB THR 17 -3.036 -11.458 -2.980 100 HG1 THR 17 1HG THR 17 -3.138 -13.733 -2.061 101 1HG2 THR 17 1HG2 THR 17 -0.726 -10.784 -3.557 102 2HG2 THR 17 2HG2 THR 17 -0.125 -12.404 -3.130 103 3HG2 THR 17 3HG2 THR 17 -1.187 -12.193 -4.542 104 H VAL 18 H VAL 18 -0.067 -12.494 0.539 105 HA VAL 18 HA VAL 18 1.424 -10.051 0.311 106 HB VAL 18 HB VAL 18 2.343 -12.520 1.743 107 1HG1 VAL 18 1HG1 VAL 18 2.412 -9.876 3.053 108 2HG1 VAL 18 2HG1 VAL 18 3.679 -11.115 2.895 109 3HG1 VAL 18 3HG1 VAL 18 3.367 -9.985 1.556 110 1HG2 VAL 18 1HG2 VAL 18 0.860 -11.171 3.641 111 2HG2 VAL 18 2HG2 VAL 18 -0.184 -11.093 2.200 112 3HG2 VAL 18 3HG2 VAL 18 0.374 -12.669 2.812 113 H VAL 19 H VAL 19 2.481 -9.755 -1.610 114 HA VAL 19 HA VAL 19 4.025 -12.047 -2.603 115 HB VAL 19 HB VAL 19 4.022 -10.302 -4.652 116 1HG1 VAL 19 1HG1 VAL 19 1.549 -11.749 -4.817 117 2HG1 VAL 19 2HG1 VAL 19 3.108 -12.098 -5.601 118 3HG1 VAL 19 3HG1 VAL 19 2.757 -12.758 -3.987 119 1HG2 VAL 19 1HG2 VAL 19 1.952 -9.153 -4.894 120 2HG2 VAL 19 2HG2 VAL 19 1.267 -9.931 -3.446 121 3HG2 VAL 19 3HG2 VAL 19 2.572 -8.732 -3.279 122 H LYS 20 H LYS 20 6.107 -11.289 -3.814 123 HA LYS 20 HA LYS 20 7.723 -10.012 -1.908 124 1HB LYS 20 1HB LYS 20 8.069 -11.608 -4.157 125 2HB LYS 20 2HB LYS 20 8.850 -10.076 -4.592 126 1HG LYS 20 1HG LYS 20 9.873 -10.260 -2.160 127 2HG LYS 20 2HG LYS 20 9.477 -11.980 -2.323 128 1HD LYS 20 1HD LYS 20 11.204 -12.329 -3.739 129 2HD LYS 20 2HD LYS 20 10.792 -10.916 -4.729 130 1HE LYS 20 1HE LYS 20 12.428 -9.693 -3.764 131 2HE LYS 20 2HE LYS 20 11.866 -10.097 -2.135 132 1HZ LYS 20 1HZ LYS 20 13.767 -11.218 -2.071 133 2HZ LYS 20 2HZ LYS 20 12.996 -12.366 -2.942 134 3HZ LYS 20 3HZ LYS 20 13.952 -11.275 -3.692 135 H VAL 21 H VAL 21 7.941 -7.894 -1.449 136 HA VAL 21 HA VAL 21 7.357 -6.010 -3.627 137 HB VAL 21 HB VAL 21 6.603 -5.855 -0.704 138 1HG1 VAL 21 1HG1 VAL 21 6.383 -3.629 -0.830 139 2HG1 VAL 21 2HG1 VAL 21 7.370 -3.716 -2.309 140 3HG1 VAL 21 3HG1 VAL 21 5.593 -3.717 -2.422 141 1HG2 VAL 21 1HG2 VAL 21 4.869 -7.042 -1.597 142 2HG2 VAL 21 2HG2 VAL 21 4.312 -5.403 -2.011 143 3HG2 VAL 21 3HG2 VAL 21 5.126 -6.403 -3.239 144 H ALA 22 H ALA 22 8.817 -4.325 -3.897 145 HA ALA 22 HA ALA 22 10.937 -4.107 -1.893 146 1HB ALA 22 1HB ALA 22 11.922 -5.559 -3.509 147 2HB ALA 22 2HB ALA 22 11.245 -4.629 -4.867 148 3HB ALA 22 3HB ALA 22 12.550 -3.935 -3.876 149 H GLY 23 H GLY 23 12.161 -2.025 -2.122 150 1HA GLY 23 1HA GLY 23 12.339 0.155 -2.924 151 2HA GLY 23 2HA GLY 23 10.762 0.028 -3.676 152 H ALA 24 H ALA 24 10.773 2.276 -2.449 153 HA ALA 24 HA ALA 24 8.855 2.579 -0.763 154 1HB ALA 24 1HB ALA 24 9.368 0.925 0.817 155 2HB ALA 24 2HB ALA 24 11.110 1.292 0.782 156 3HB ALA 24 3HB ALA 24 9.982 2.405 1.592 157 H GLY 25 H GLY 25 10.017 4.102 1.464 158 1HA GLY 25 1HA GLY 25 10.523 6.526 0.154 159 2HA GLY 25 2HA GLY 25 10.773 6.182 1.854 160 H LEU 26 H LEU 26 12.528 3.802 0.338 161 HA LEU 26 HA LEU 26 14.717 3.450 0.228 162 1HB LEU 26 1HB LEU 26 14.450 4.205 -1.955 163 2HB LEU 26 2HB LEU 26 14.345 5.905 -1.466 164 HG LEU 26 HG LEU 26 16.870 5.095 -0.611 165 1HD1 LEU 26 1HD1 LEU 26 17.052 3.098 -1.760 166 2HD1 LEU 26 2HD1 LEU 26 16.112 3.685 -3.151 167 3HD1 LEU 26 3HD1 LEU 26 17.780 4.255 -2.901 168 1HD2 LEU 26 1HD2 LEU 26 17.689 6.565 -2.401 169 2HD2 LEU 26 2HD2 LEU 26 16.073 6.549 -3.147 170 3HD2 LEU 26 3HD2 LEU 26 16.303 7.272 -1.537 171 H GLN 27 H GLN 27 14.547 3.964 2.684 172 HA GLN 27 HA GLN 27 15.602 6.446 3.498 173 1HB GLN 27 1HB GLN 27 14.105 5.159 4.935 174 2HB GLN 27 2HB GLN 27 15.255 3.811 4.995 175 1HG GLN 27 1HG GLN 27 15.800 4.879 6.971 176 2HG GLN 27 2HG GLN 27 16.902 5.735 5.880 177 1HE2 GLN 27 1HE2 GLN 27 15.849 6.640 8.378 178 2HE2 GLN 27 2HE2 GLN 27 14.916 8.073 8.095 179 H ALA 28 H ALA 28 17.095 3.679 5.049 180 HA ALA 28 HA ALA 28 19.312 3.166 3.602 181 1HB ALA 28 1HB ALA 28 19.420 5.877 4.852 182 2HB ALA 28 2HB ALA 28 20.881 4.867 4.988 183 3HB ALA 28 3HB ALA 28 20.218 5.261 3.384 184 H GLY 29 H GLY 29 17.877 1.609 5.195 185 1HA GLY 29 1HA GLY 29 18.405 -0.009 6.736 186 2HA GLY 29 2HA GLY 29 19.730 0.966 7.340 187 H THR 30 H THR 30 16.106 0.906 7.172 188 HA THR 30 HA THR 30 15.935 1.437 9.978 189 HB THR 30 HB THR 30 16.312 3.701 8.484 190 HG1 THR 30 1HG THR 30 14.374 3.238 10.642 191 1HG2 THR 30 1HG2 THR 30 14.127 3.282 7.223 192 2HG2 THR 30 2HG2 THR 30 13.283 3.381 8.788 193 3HG2 THR 30 3HG2 THR 30 14.149 4.801 8.153 194 H ALA 31 H ALA 31 13.656 1.421 10.741 195 HA ALA 31 HA ALA 31 12.293 -0.709 9.587 196 1HB ALA 31 1HB ALA 31 10.993 -0.514 11.442 197 2HB ALA 31 2HB ALA 31 12.215 0.677 11.950 198 3HB ALA 31 3HB ALA 31 10.706 1.223 11.180 199 H TYR 32 H TYR 32 10.198 -0.762 8.494 200 HA TYR 32 HA TYR 32 9.341 1.725 7.267 201 1HB TYR 32 1HB TYR 32 10.916 -0.486 6.047 202 2HB TYR 32 2HB TYR 32 9.406 -0.202 5.176 203 HD1 TYR 32 1HD TYR 32 8.932 2.356 4.605 204 HD2 TYR 32 2HD TYR 32 12.796 0.720 5.440 205 HE1 TYR 32 1HE TYR 32 10.027 4.297 3.382 206 HE2 TYR 32 2HE TYR 32 13.878 2.666 4.214 207 HH TYR 32 HH TYR 32 12.219 5.458 3.449 208 H ASP 33 H ASP 33 7.507 1.243 8.726 209 HA ASP 33 HA ASP 33 6.104 -1.081 8.708 210 1HB ASP 33 1HB ASP 33 5.731 1.644 9.562 211 2HB ASP 33 2HB ASP 33 4.223 1.098 8.812 212 HD2 ASP 33 HD2 ASP 33 3.925 -1.413 11.356 213 H VAL 34 H VAL 34 4.741 -2.070 7.186 214 HA VAL 34 HA VAL 34 4.557 -0.959 4.592 215 HB VAL 34 HB VAL 34 3.366 -3.354 5.979 216 1HG1 VAL 34 1HG1 VAL 34 2.478 -4.121 3.851 217 2HG1 VAL 34 2HG1 VAL 34 1.769 -2.539 4.260 218 3HG1 VAL 34 3HG1 VAL 34 3.061 -2.647 3.040 219 1HG2 VAL 34 1HG2 VAL 34 5.367 -3.193 3.704 220 2HG2 VAL 34 2HG2 VAL 34 5.820 -3.286 5.422 221 3HG2 VAL 34 3HG2 VAL 34 4.921 -4.623 4.666 222 H GLY 35 H GLY 35 2.659 -0.247 3.446 223 1HA GLY 35 1HA GLY 35 0.468 0.636 5.229 224 2HA GLY 35 2HA GLY 35 1.181 1.682 4.017 225 H GLN 36 H GLN 36 -0.998 1.854 3.060 226 HA GLN 36 HA GLN 36 -1.335 0.523 0.798 227 1HB GLN 36 1HB GLN 36 -2.111 -1.208 3.030 228 2HB GLN 36 2HB GLN 36 -3.442 -0.978 1.883 229 1HG GLN 36 1HG GLN 36 -1.081 -1.367 0.337 230 2HG GLN 36 2HG GLN 36 -1.041 -2.593 1.612 231 1HE2 GLN 36 1HE2 GLN 36 -3.010 -1.145 -0.938 232 2HE2 GLN 36 2HE2 GLN 36 -3.982 -2.533 -1.297 233 H CYS 37 H CYS 37 -2.608 1.990 -0.240 234 HA CYS 37 HA CYS 37 -4.890 3.036 1.271 235 1HB CYS 37 1HB CYS 37 -3.272 4.605 -0.722 236 2HB CYS 37 2HB CYS 37 -4.579 5.202 0.315 237 H ALA 38 H ALA 38 -6.278 4.337 -0.685 238 HA ALA 38 HA ALA 38 -6.320 2.684 -3.068 239 1HB ALA 38 1HB ALA 38 -8.798 2.279 -2.738 240 2HB ALA 38 2HB ALA 38 -7.741 1.383 -1.621 241 3HB ALA 38 3HB ALA 38 -8.599 2.838 -1.060 242 H TRP 39 H TRP 39 -7.298 3.755 -4.847 243 HA TRP 39 HA TRP 39 -7.573 6.615 -4.414 244 1HB TRP 39 1HB TRP 39 -7.436 4.965 -6.939 245 2HB TRP 39 2HB TRP 39 -7.532 6.728 -6.876 246 HD1 TRP 39 HD TRP 39 -5.164 4.262 -4.955 247 HE1 TRP 39 1HE TRP 39 -2.646 4.994 -5.247 248 HE3 TRP 39 3HE TRP 39 -6.120 8.207 -8.017 249 HZ2 TRP 39 2HZ TRP 39 -1.365 7.094 -6.694 250 HZ3 TRP 39 3HZ TRP 39 -4.179 9.547 -8.825 251 HH2 TRP 39 HH TRP 39 -1.867 9.045 -8.212 252 H VAL 40 H VAL 40 -9.564 7.546 -4.183 253 HA VAL 40 HA VAL 40 -11.887 5.879 -4.606 254 HB VAL 40 HB VAL 40 -11.596 8.696 -3.546 255 1HG1 VAL 40 1HG1 VAL 40 -13.903 7.269 -4.356 256 2HG1 VAL 40 2HG1 VAL 40 -13.904 7.268 -2.576 257 3HG1 VAL 40 3HG1 VAL 40 -13.822 8.807 -3.466 258 1HG2 VAL 40 1HG2 VAL 40 -10.991 7.861 -1.563 259 2HG2 VAL 40 2HG2 VAL 40 -12.302 6.658 -1.597 260 3HG2 VAL 40 3HG2 VAL 40 -10.744 6.298 -2.377 261 H ASP 41 H ASP 41 -12.614 9.183 -5.064 262 HA ASP 41 HA ASP 41 -13.171 8.620 -7.826 263 1HB ASP 41 1HB ASP 41 -14.577 9.924 -5.903 264 2HB ASP 41 2HB ASP 41 -13.748 11.309 -6.628 265 HD2 ASP 41 HD2 ASP 41 -15.770 11.236 -9.413 266 H THR 42 H THR 42 -10.378 8.823 -7.241 267 HA THR 42 HA THR 42 -8.529 9.811 -7.987 268 HB THR 42 HB THR 42 -10.689 10.848 -9.736 269 HG1 THR 42 1HG THR 42 -7.871 10.040 -9.910 270 1HG2 THR 42 1HG2 THR 42 -9.050 12.440 -10.874 271 2HG2 THR 42 2HG2 THR 42 -9.680 13.046 -9.323 272 3HG2 THR 42 3HG2 THR 42 -8.042 12.353 -9.410 273 H GLY 43 H GLY 43 -10.902 12.530 -7.573 274 1HA GLY 43 1HA GLY 43 -8.961 14.241 -6.414 275 2HA GLY 43 2HA GLY 43 -10.699 14.465 -6.438 276 H VAL 44 H VAL 44 -10.428 11.417 -5.199 277 HA VAL 44 HA VAL 44 -9.958 12.360 -2.463 278 HB VAL 44 HB VAL 44 -12.221 10.576 -3.383 279 1HG1 VAL 44 1HG1 VAL 44 -12.088 11.810 -0.659 280 2HG1 VAL 44 2HG1 VAL 44 -12.837 10.286 -1.191 281 3HG1 VAL 44 3HG1 VAL 44 -11.071 10.389 -0.996 282 1HG2 VAL 44 1HG2 VAL 44 -13.711 12.362 -3.120 283 2HG2 VAL 44 2HG2 VAL 44 -12.540 13.332 -2.197 284 3HG2 VAL 44 3HG2 VAL 44 -12.319 13.101 -3.947 285 H LEU 45 H LEU 45 -8.722 10.993 -1.213 286 HA LEU 45 HA LEU 45 -8.230 8.322 -2.303 287 1HB LEU 45 1HB LEU 45 -6.474 10.218 -2.796 288 2HB LEU 45 2HB LEU 45 -5.951 9.852 -1.141 289 HG LEU 45 HG LEU 45 -6.299 7.571 -3.033 290 1HD1 LEU 45 1HD1 LEU 45 -4.663 9.841 -3.691 291 2HD1 LEU 45 2HD1 LEU 45 -3.630 8.429 -3.362 292 3HD1 LEU 45 3HD1 LEU 45 -4.914 8.324 -4.591 293 1HD2 LEU 45 1HD2 LEU 45 -5.056 8.092 -0.487 294 2HD2 LEU 45 2HD2 LEU 45 -5.348 6.543 -1.314 295 3HD2 LEU 45 3HD2 LEU 45 -3.855 7.459 -1.638 296 H ALA 46 H ALA 46 -8.264 6.716 -0.779 297 HA ALA 46 HA ALA 46 -8.380 7.629 2.015 298 1HB ALA 46 1HB ALA 46 -9.691 5.077 1.498 299 2HB ALA 46 2HB ALA 46 -10.343 6.553 2.249 300 3HB ALA 46 3HB ALA 46 -10.372 6.368 0.480 301 H CYS 47 H CYS 47 -6.873 6.761 3.368 302 HA CYS 47 HA CYS 47 -5.123 4.760 2.212 303 1HB CYS 47 1HB CYS 47 -4.860 6.929 4.102 304 2HB CYS 47 2HB CYS 47 -4.176 5.428 4.749 305 H ASN 48 H ASN 48 -4.397 2.940 3.770 306 HA ASN 48 HA ASN 48 -6.759 2.054 5.229 307 1HB ASN 48 1HB ASN 48 -5.853 0.716 3.191 308 2HB ASN 48 2HB ASN 48 -4.494 0.265 4.231 309 1HD2 ASN 48 1HD2 ASN 48 -7.938 0.059 3.676 310 2HD2 ASN 48 2HD2 ASN 48 -8.277 -1.285 4.715 311 HA PRO 49 HA PRO 49 -3.624 2.630 8.418 312 1HB PRO 49 1HB PRO 49 -5.342 3.317 10.428 313 2HB PRO 49 2HB PRO 49 -4.591 4.498 9.355 314 1HG PRO 49 1HG PRO 49 -7.342 3.432 9.375 315 2HG PRO 49 2HG PRO 49 -6.730 4.947 8.618 316 1HD PRO 49 1HD PRO 49 -7.438 2.480 7.345 317 2HD PRO 49 2HD PRO 49 -6.690 3.888 6.578 318 H ALA 50 H ALA 50 -4.452 0.120 7.513 319 HA ALA 50 HA ALA 50 -4.448 -1.225 10.109 320 1HB ALA 50 1HB ALA 50 -6.794 -1.053 9.012 321 2HB ALA 50 2HB ALA 50 -6.162 -2.213 7.819 322 3HB ALA 50 3HB ALA 50 -6.233 -2.657 9.540 323 H ASP 51 H ASP 51 -2.806 -0.513 7.393 324 HA ASP 51 HA ASP 51 -2.168 -2.663 6.012 325 1HB ASP 51 1HB ASP 51 0.329 -1.772 6.311 326 2HB ASP 51 2HB ASP 51 -0.879 -0.819 5.434 327 HD2 ASP 51 HD2 ASP 51 0.532 0.521 8.888 328 H PHE 52 H PHE 52 -0.815 -1.776 9.274 329 HA PHE 52 HA PHE 52 0.022 -2.997 10.909 330 1HB PHE 52 1HB PHE 52 -1.826 -4.688 9.509 331 2HB PHE 52 2HB PHE 52 -0.397 -5.690 9.788 332 HD1 PHE 52 1HD PHE 52 0.364 -4.316 12.443 333 HD2 PHE 52 2HD PHE 52 -3.289 -5.877 10.954 334 HE1 PHE 52 1HE PHE 52 -0.413 -4.736 14.792 335 HE2 PHE 52 2HE PHE 52 -4.066 -6.299 13.304 336 HZ PHE 52 HZ PHE 52 -2.618 -5.724 15.195 337 H SER 53 H SER 53 0.555 -4.956 7.883 338 HA SER 53 HA SER 53 2.810 -6.151 8.370 339 1HB SER 53 1HB SER 53 1.850 -4.679 5.940 340 2HB SER 53 2HB SER 53 3.499 -5.328 5.907 341 HG SER 53 HG SER 53 1.273 -6.642 5.359 342 H SER 54 H SER 54 5.130 -5.722 8.268 343 HA SER 54 HA SER 54 5.937 -2.985 8.083 344 1HB SER 54 1HB SER 54 5.302 -3.073 10.431 345 2HB SER 54 2HB SER 54 6.248 -4.551 10.681 346 HG SER 54 HG SER 54 7.047 -1.952 10.848 347 H VAL 55 H VAL 55 8.169 -2.811 7.524 348 HA VAL 55 HA VAL 55 9.756 -5.244 7.645 349 HB VAL 55 HB VAL 55 8.388 -4.975 5.437 350 1HG1 VAL 55 1HG1 VAL 55 8.933 -3.362 3.966 351 2HG1 VAL 55 2HG1 VAL 55 9.628 -2.525 5.374 352 3HG1 VAL 55 3HG1 VAL 55 10.674 -3.497 4.311 353 1HG2 VAL 55 1HG2 VAL 55 9.781 -6.740 5.232 354 2HG2 VAL 55 2HG2 VAL 55 10.752 -5.626 4.241 355 3HG2 VAL 55 3HG2 VAL 55 11.156 -5.875 5.957 356 H THR 56 H THR 56 11.820 -4.096 5.892 357 HA THR 56 HA THR 56 12.500 -1.579 7.182 358 HB THR 56 HB THR 56 13.916 -4.240 7.607 359 HG1 THR 56 1HG THR 56 13.519 -3.540 9.730 360 1HG2 THR 56 1HG2 THR 56 15.661 -2.606 6.811 361 2HG2 THR 56 2HG2 THR 56 15.082 -1.436 8.021 362 3HG2 THR 56 3HG2 THR 56 15.830 -2.964 8.546 363 H ALA 57 H ALA 57 14.673 -0.753 6.258 364 HA ALA 57 HA ALA 57 14.390 -0.934 3.401 365 1HB ALA 57 1HB ALA 57 15.414 0.924 5.369 366 2HB ALA 57 2HB ALA 57 16.655 0.617 4.130 367 3HB ALA 57 3HB ALA 57 15.043 1.202 3.651 368 H ASP 58 H ASP 58 16.730 -0.886 2.206 369 HA ASP 58 HA ASP 58 18.266 -3.075 3.351 370 1HB ASP 58 1HB ASP 58 18.543 -3.999 1.051 371 2HB ASP 58 2HB ASP 58 16.857 -4.034 1.588 372 HD2 ASP 58 HD2 ASP 58 16.698 -2.822 -1.741 373 H ALA 59 H ALA 59 20.517 -2.696 3.215 374 HA ALA 59 HA ALA 59 21.888 -0.637 3.154 375 1HB ALA 59 1HB ALA 59 22.377 -3.191 2.056 376 2HB ALA 59 2HB ALA 59 23.003 -2.032 0.859 377 3HB ALA 59 3HB ALA 59 23.586 -1.978 2.540 378 H ASN 60 H ASN 60 20.392 1.093 2.446 379 HA ASN 60 HA ASN 60 21.192 2.584 0.497 380 1HB ASN 60 1HB ASN 60 20.986 1.046 -1.304 381 2HB ASN 60 2HB ASN 60 19.440 0.415 -0.721 382 1HD2 ASN 60 1HD2 ASN 60 18.755 0.765 -2.919 383 2HD2 ASN 60 2HD2 ASN 60 18.197 2.323 -3.430 384 H GLY 61 H GLY 61 18.255 0.897 1.711 385 1HA GLY 61 1HA GLY 61 16.828 2.285 3.145 386 2HA GLY 61 2HA GLY 61 16.884 3.513 1.896 387 H SER 62 H SER 62 16.940 0.802 0.058 388 HA SER 62 HA SER 62 14.191 1.044 -0.550 389 1HB SER 62 1HB SER 62 15.019 0.386 -2.528 390 2HB SER 62 2HB SER 62 16.574 -0.026 -1.785 391 HG SER 62 HG SER 62 14.232 -1.731 -1.908 392 H ALA 63 H ALA 63 12.485 -0.326 0.011 393 HA ALA 63 HA ALA 63 13.007 -2.193 2.125 394 1HB ALA 63 1HB ALA 63 10.754 -2.010 2.538 395 2HB ALA 63 2HB ALA 63 10.967 -0.516 1.594 396 3HB ALA 63 3HB ALA 63 10.330 -1.982 0.810 397 H SER 64 H SER 64 12.156 -4.465 2.047 398 HA SER 64 HA SER 64 11.672 -5.606 -0.479 399 1HB SER 64 1HB SER 64 13.673 -7.068 -0.571 400 2HB SER 64 2HB SER 64 14.105 -5.355 -0.729 401 HG SER 64 HG SER 64 15.521 -6.498 0.735 402 H THR 65 H THR 65 10.126 -7.090 0.083 403 HA THR 65 HA THR 65 10.596 -9.236 1.767 404 HB THR 65 HB THR 65 10.656 -7.481 3.567 405 HG1 THR 65 1HG THR 65 9.219 -8.769 4.813 406 1HG2 THR 65 1HG2 THR 65 8.130 -6.733 4.103 407 2HG2 THR 65 2HG2 THR 65 9.170 -5.731 3.061 408 3HG2 THR 65 3HG2 THR 65 7.972 -6.829 2.332 409 H SER 66 H SER 66 7.679 -8.953 2.843 410 HA SER 66 HA SER 66 6.406 -9.367 0.257 411 1HB SER 66 1HB SER 66 5.038 -11.183 1.500 412 2HB SER 66 2HB SER 66 6.690 -11.592 1.003 413 HG SER 66 HG SER 66 5.581 -11.243 3.580 414 H LEU 67 H LEU 67 4.659 -8.019 0.033 415 HA LEU 67 HA LEU 67 3.375 -7.111 2.517 416 1HB LEU 67 1HB LEU 67 4.128 -5.687 0.005 417 2HB LEU 67 2HB LEU 67 2.731 -5.131 0.942 418 HG LEU 67 HG LEU 67 4.086 -4.600 2.815 419 1HD1 LEU 67 1HD1 LEU 67 5.590 -6.283 3.193 420 2HD1 LEU 67 2HD1 LEU 67 6.112 -6.357 1.493 421 3HD1 LEU 67 3HD1 LEU 67 6.674 -5.031 2.539 422 1HD2 LEU 67 1HD2 LEU 67 4.675 -2.702 1.835 423 2HD2 LEU 67 2HD2 LEU 67 6.119 -3.494 1.159 424 3HD2 LEU 67 3HD2 LEU 67 4.595 -3.486 0.239 425 H THR 68 H THR 68 1.142 -7.250 2.668 426 HA THR 68 HA THR 68 -0.097 -8.996 0.732 427 HB THR 68 HB THR 68 -0.449 -9.341 3.150 428 HG1 THR 68 1HG THR 68 -2.282 -9.770 1.796 429 1HG2 THR 68 1HG2 THR 68 -0.423 -6.585 3.408 430 2HG2 THR 68 2HG2 THR 68 -2.172 -6.920 3.430 431 3HG2 THR 68 3HG2 THR 68 -1.103 -7.690 4.627 432 H VAL 69 H VAL 69 -0.549 -8.082 -1.205 433 HA VAL 69 HA VAL 69 -1.349 -5.379 -1.431 434 HB VAL 69 HB VAL 69 -1.865 -7.501 -3.489 435 1HG1 VAL 69 1HG1 VAL 69 -1.415 -4.557 -3.425 436 2HG1 VAL 69 2HG1 VAL 69 -0.744 -5.449 -4.812 437 3HG1 VAL 69 3HG1 VAL 69 -2.486 -5.535 -4.457 438 1HG2 VAL 69 1HG2 VAL 69 0.649 -6.812 -4.130 439 2HG2 VAL 69 2HG2 VAL 69 0.768 -6.680 -2.359 440 3HG2 VAL 69 3HG2 VAL 69 0.266 -8.216 -3.105 441 H ARG 70 H ARG 70 -2.989 -5.908 0.500 442 HA ARG 70 HA ARG 70 -5.223 -7.304 0.221 443 1HB ARG 70 1HB ARG 70 -4.975 -4.457 1.293 444 2HB ARG 70 2HB ARG 70 -6.349 -5.524 1.631 445 1HG ARG 70 1HG ARG 70 -5.188 -6.686 3.194 446 2HG ARG 70 2HG ARG 70 -3.738 -6.791 2.180 447 1HD ARG 70 1HD ARG 70 -4.446 -4.128 3.389 448 2HD ARG 70 2HD ARG 70 -3.778 -5.365 4.464 449 HE ARG 70 HE ARG 70 -2.358 -4.705 1.919 450 1HH1 ARG 70 1HH1 ARG 70 -2.432 -4.727 5.437 451 2HH1 ARG 70 2HH1 ARG 70 -0.748 -4.357 5.602 452 1HH2 ARG 70 1HH2 ARG 70 -0.135 -4.217 2.137 453 2HH2 ARG 70 2HH2 ARG 70 0.567 -4.065 3.713 454 H ARG 71 H ARG 71 -7.088 -7.274 -1.047 455 HA ARG 71 HA ARG 71 -7.190 -5.144 -3.002 456 1HB ARG 71 1HB ARG 71 -7.186 -7.463 -3.852 457 2HB ARG 71 2HB ARG 71 -8.623 -7.848 -2.890 458 1HG ARG 71 1HG ARG 71 -9.061 -5.473 -4.524 459 2HG ARG 71 2HG ARG 71 -8.546 -6.834 -5.536 460 1HD ARG 71 1HD ARG 71 -10.795 -6.964 -3.480 461 2HD ARG 71 2HD ARG 71 -11.057 -6.669 -5.207 462 HE ARG 71 HE ARG 71 -9.467 -9.026 -4.904 463 1HH1 ARG 71 1HH1 ARG 71 -12.749 -7.905 -4.310 464 2HH1 ARG 71 2HH1 ARG 71 -13.454 -9.478 -4.480 465 1HH2 ARG 71 1HH2 ARG 71 -10.396 -11.102 -5.128 466 2HH2 ARG 71 2HH2 ARG 71 -12.106 -11.309 -4.947 467 H SER 72 H SER 72 -9.662 -7.224 -1.309 468 HA SER 72 HA SER 72 -11.423 -4.950 -1.272 469 1HB SER 72 1HB SER 72 -13.108 -6.577 -0.467 470 2HB SER 72 2HB SER 72 -12.326 -7.133 -1.957 471 HG SER 72 HG SER 72 -12.348 -8.256 0.595 472 H PHE 73 H PHE 73 -11.922 -3.751 0.564 473 HA PHE 73 HA PHE 73 -11.661 -4.769 3.167 474 1HB PHE 73 1HB PHE 73 -9.743 -3.086 3.725 475 2HB PHE 73 2HB PHE 73 -9.262 -4.547 2.854 476 HD1 PHE 73 1HD PHE 73 -8.487 -4.417 0.577 477 HD2 PHE 73 2HD PHE 73 -9.811 -0.927 2.596 478 HE1 PHE 73 1HE PHE 73 -7.464 -2.990 -1.218 479 HE2 PHE 73 2HE PHE 73 -8.789 0.499 0.801 480 HZ PHE 73 HZ PHE 73 -7.628 -0.549 -1.084 481 H GLU 74 H GLU 74 -11.273 -2.451 4.654 482 HA GLU 74 HA GLU 74 -13.200 -0.614 3.466 483 1HB GLU 74 1HB GLU 74 -14.239 -0.327 5.687 484 2HB GLU 74 2HB GLU 74 -14.350 -2.012 5.144 485 1HG GLU 74 1HG GLU 74 -11.966 -2.060 6.489 486 2HG GLU 74 2HG GLU 74 -12.825 -0.819 7.416 487 HE2 GLU 74 HE2 GLU 74 -14.269 -3.451 9.105 488 H GLY 75 H GLY 75 -11.144 0.519 2.832 489 1HA GLY 75 1HA GLY 75 -9.286 1.456 4.711 490 2HA GLY 75 2HA GLY 75 -9.597 2.123 3.120 491 H PHE 76 H PHE 76 -9.169 4.246 4.207 492 HA PHE 76 HA PHE 76 -11.661 5.423 4.973 493 1HB PHE 76 1HB PHE 76 -9.996 4.341 6.967 494 2HB PHE 76 2HB PHE 76 -9.474 6.028 6.917 495 HD1 PHE 76 1HD PHE 76 -12.385 3.812 7.452 496 HD2 PHE 76 2HD PHE 76 -10.816 7.734 7.863 497 HE1 PHE 76 1HE PHE 76 -14.342 4.444 8.892 498 HE2 PHE 76 2HE PHE 76 -12.772 8.366 9.303 499 HZ PHE 76 HZ PHE 76 -14.511 6.713 9.800 500 H LEU 77 H LEU 77 -11.592 7.765 4.894 501 HA LEU 77 HA LEU 77 -9.702 8.718 3.027 502 1HB LEU 77 1HB LEU 77 -12.108 9.642 4.385 503 2HB LEU 77 2HB LEU 77 -10.927 10.935 4.105 504 HG LEU 77 HG LEU 77 -12.246 9.144 2.051 505 1HD1 LEU 77 1HD1 LEU 77 -13.775 10.744 1.946 506 2HD1 LEU 77 2HD1 LEU 77 -12.900 11.711 3.160 507 3HD1 LEU 77 3HD1 LEU 77 -12.513 11.890 1.431 508 1HD2 LEU 77 1HD2 LEU 77 -10.529 9.444 0.681 509 2HD2 LEU 77 2HD2 LEU 77 -10.758 11.205 0.789 510 3HD2 LEU 77 3HD2 LEU 77 -9.666 10.378 1.926 511 H PHE 78 H PHE 78 -10.129 9.067 6.592 512 HA PHE 78 HA PHE 78 -8.518 9.371 8.118 513 1HB PHE 78 1HB PHE 78 -6.997 8.710 5.977 514 2HB PHE 78 2HB PHE 78 -6.594 10.430 6.011 515 HD1 PHE 78 1HD PHE 78 -6.877 7.599 8.443 516 HD2 PHE 78 2HD PHE 78 -4.661 10.969 7.126 517 HE1 PHE 78 1HE PHE 78 -5.141 7.142 10.197 518 HE2 PHE 78 2HE PHE 78 -2.925 10.513 8.880 519 HZ PHE 78 HZ PHE 78 -3.186 8.605 10.395 520 H ASP 79 H ASP 79 -10.159 11.464 6.275 521 HA ASP 79 HA ASP 79 -8.886 13.781 7.507 522 1HB ASP 79 1HB ASP 79 -9.459 13.345 4.831 523 2HB ASP 79 2HB ASP 79 -10.877 14.264 5.357 524 HD2 ASP 79 HD2 ASP 79 -7.464 16.114 4.806 525 H GLY 80 H GLY 80 -11.921 12.023 6.678 526 1HA GLY 80 1HA GLY 80 -13.288 12.546 8.996 527 2HA GLY 80 2HA GLY 80 -13.683 13.889 7.942 528 H THR 81 H THR 81 -12.959 10.476 6.994 529 HA THR 81 HA THR 81 -15.648 9.699 6.693 530 HB THR 81 HB THR 81 -14.334 11.185 4.441 531 HG1 THR 81 1HG THR 81 -16.339 12.047 4.796 532 1HG2 THR 81 1HG2 THR 81 -14.510 8.733 3.641 533 2HG2 THR 81 2HG2 THR 81 -16.263 8.874 3.913 534 3HG2 THR 81 3HG2 THR 81 -15.463 9.914 2.712 535 H ARG 82 H ARG 82 -15.785 7.620 5.321 536 HA ARG 82 HA ARG 82 -13.303 6.196 5.844 537 1HB ARG 82 1HB ARG 82 -14.656 4.181 6.127 538 2HB ARG 82 2HB ARG 82 -15.347 5.461 7.139 539 1HG ARG 82 1HG ARG 82 -16.522 5.603 4.509 540 2HG ARG 82 2HG ARG 82 -16.631 3.929 5.081 541 1HD ARG 82 1HD ARG 82 -17.669 4.741 7.194 542 2HD ARG 82 2HD ARG 82 -17.572 6.408 6.604 543 HE ARG 82 HE ARG 82 -18.933 4.832 4.652 544 1HH1 ARG 82 1HH1 ARG 82 -19.421 6.057 7.915 545 2HH1 ARG 82 2HH1 ARG 82 -21.147 6.103 7.776 546 1HH2 ARG 82 1HH2 ARG 82 -21.210 4.892 4.469 547 2HH2 ARG 82 2HH2 ARG 82 -22.171 5.435 5.804 548 H TRP 83 H TRP 83 -13.476 3.936 4.355 549 HA TRP 83 HA TRP 83 -14.594 4.218 1.799 550 1HB TRP 83 1HB TRP 83 -12.821 6.017 1.734 551 2HB TRP 83 2HB TRP 83 -11.620 4.726 1.818 552 HD1 TRP 83 HD TRP 83 -10.714 4.290 -0.584 553 HE1 TRP 83 1HE TRP 83 -11.623 4.166 -3.060 554 HE3 TRP 83 3HE TRP 83 -15.524 5.471 0.566 555 HZ2 TRP 83 2HZ TRP 83 -14.193 4.568 -4.231 556 HZ3 TRP 83 3HZ TRP 83 -17.171 5.584 -1.303 557 HH2 TRP 83 HH TRP 83 -16.572 5.155 -3.633 558 H GLY 84 H GLY 84 -13.099 2.550 0.284 559 1HA GLY 84 1HA GLY 84 -11.720 0.584 0.458 560 2HA GLY 84 2HA GLY 84 -12.400 0.281 2.045 561 H THR 85 H THR 85 -15.077 0.438 1.870 562 HA THR 85 HA THR 85 -16.674 -1.134 1.404 563 HB THR 85 HB THR 85 -17.006 1.069 0.110 564 HG1 THR 85 1HG THR 85 -17.894 -1.481 -1.048 565 1HG2 THR 85 1HG2 THR 85 -15.168 0.136 -1.676 566 2HG2 THR 85 2HG2 THR 85 -16.643 -0.545 -2.402 567 3HG2 THR 85 3HG2 THR 85 -16.500 1.212 -2.160 568 H VAL 86 H VAL 86 -14.991 -2.929 1.644 569 HA VAL 86 HA VAL 86 -14.026 -4.790 0.911 570 HB VAL 86 HB VAL 86 -16.610 -4.985 0.530 571 1HG1 VAL 86 1HG1 VAL 86 -17.403 -4.725 -1.538 572 2HG1 VAL 86 2HG1 VAL 86 -15.794 -4.155 -2.042 573 3HG1 VAL 86 3HG1 VAL 86 -16.213 -5.878 -2.187 574 1HG2 VAL 86 1HG2 VAL 86 -15.132 -7.123 -0.932 575 2HG2 VAL 86 2HG2 VAL 86 -14.624 -6.773 0.738 576 3HG2 VAL 86 3HG2 VAL 86 -16.307 -7.243 0.400 577 H ASP 87 H ASP 87 -14.305 -5.851 -1.930 578 HA ASP 87 HA ASP 87 -12.055 -5.482 -3.012 579 1HB ASP 87 1HB ASP 87 -14.238 -4.674 -4.907 580 2HB ASP 87 2HB ASP 87 -12.980 -5.901 -5.115 581 HD2 ASP 87 HD2 ASP 87 -15.131 -8.006 -2.975 582 H CYS 88 H CYS 88 -10.643 -3.777 -3.440 583 HA CYS 88 HA CYS 88 -11.856 -1.133 -3.767 584 1HB CYS 88 1HB CYS 88 -10.549 -0.690 -2.037 585 2HB CYS 88 2HB CYS 88 -9.521 -2.112 -2.288 586 H THR 89 H THR 89 -10.193 -3.754 -5.292 587 HA THR 89 HA THR 89 -8.463 -2.605 -7.057 588 HB THR 89 HB THR 89 -8.998 -5.066 -6.712 589 HG1 THR 89 1HG THR 89 -8.721 -5.416 -9.081 590 1HG2 THR 89 1HG2 THR 89 -11.392 -5.236 -6.907 591 2HG2 THR 89 2HG2 THR 89 -11.416 -4.234 -8.378 592 3HG2 THR 89 3HG2 THR 89 -10.768 -5.891 -8.441 593 H THR 90 H THR 90 -11.934 -2.165 -6.886 594 HA THR 90 HA THR 90 -12.191 -1.286 -9.603 595 HB THR 90 HB THR 90 -13.871 -1.762 -7.204 596 HG1 THR 90 1HG THR 90 -13.739 -2.904 -9.351 597 1HG2 THR 90 1HG2 THR 90 -15.704 -0.281 -7.961 598 2HG2 THR 90 2HG2 THR 90 -14.293 0.711 -7.521 599 3HG2 THR 90 3HG2 THR 90 -14.660 0.394 -9.234 600 H ALA 91 H ALA 91 -11.133 0.129 -6.578 601 HA ALA 91 HA ALA 91 -11.450 2.803 -7.728 602 1HB ALA 91 1HB ALA 91 -11.804 3.486 -5.608 603 2HB ALA 91 2HB ALA 91 -11.918 1.763 -5.176 604 3HB ALA 91 3HB ALA 91 -10.368 2.621 -5.012 605 H ALA 92 H ALA 92 -9.219 0.218 -7.387 606 HA ALA 92 HA ALA 92 -7.109 0.083 -8.107 607 1HB ALA 92 1HB ALA 92 -6.339 1.674 -9.520 608 2HB ALA 92 2HB ALA 92 -7.903 2.478 -9.248 609 3HB ALA 92 3HB ALA 92 -6.478 2.956 -8.293 610 H CYS 93 H CYS 93 -6.544 -0.745 -6.048 611 HA CYS 93 HA CYS 93 -5.936 1.104 -3.946 612 1HB CYS 93 1HB CYS 93 -5.060 -1.699 -3.721 613 2HB CYS 93 2HB CYS 93 -5.925 -0.675 -2.562 614 H GLN 94 H GLN 94 -3.702 1.015 -2.873 615 HA GLN 94 HA GLN 94 -1.620 0.298 -4.751 616 1HB GLN 94 1HB GLN 94 -0.491 2.442 -4.523 617 2HB GLN 94 2HB GLN 94 -2.135 2.717 -5.125 618 1HG GLN 94 1HG GLN 94 -1.659 2.763 -2.155 619 2HG GLN 94 2HG GLN 94 -1.113 4.154 -3.103 620 1HE2 GLN 94 1HE2 GLN 94 -2.516 5.715 -2.824 621 2HE2 GLN 94 2HE2 GLN 94 -4.240 5.607 -2.950 622 H VAL 95 H VAL 95 0.375 -0.282 -3.744 623 HA VAL 95 HA VAL 95 0.195 -0.415 -0.813 624 HB VAL 95 HB VAL 95 1.098 -2.340 -2.908 625 1HG1 VAL 95 1HG1 VAL 95 3.093 -2.566 -1.857 626 2HG1 VAL 95 2HG1 VAL 95 2.511 -1.814 -0.353 627 3HG1 VAL 95 3HG1 VAL 95 2.136 -3.520 -0.698 628 1HG2 VAL 95 1HG2 VAL 95 -1.118 -2.286 -1.441 629 2HG2 VAL 95 2HG2 VAL 95 -0.320 -3.817 -1.871 630 3HG2 VAL 95 3HG2 VAL 95 -0.069 -3.104 -0.260 631 H GLY 96 H GLY 96 1.582 0.920 0.213 632 1HA GLY 96 1HA GLY 96 4.154 1.497 -1.127 633 2HA GLY 96 2HA GLY 96 3.184 2.754 -0.384 634 H LEU 97 H LEU 97 5.654 2.644 0.619 635 HA LEU 97 HA LEU 97 5.526 0.925 2.986 636 1HB LEU 97 1HB LEU 97 7.599 1.724 1.179 637 2HB LEU 97 2HB LEU 97 8.012 2.239 2.823 638 HG LEU 97 HG LEU 97 8.989 0.141 2.630 639 1HD1 LEU 97 1HD1 LEU 97 7.977 -1.182 4.261 640 2HD1 LEU 97 2HD1 LEU 97 7.360 0.453 4.603 641 3HD1 LEU 97 3HD1 LEU 97 6.332 -0.725 3.753 642 1HD2 LEU 97 1HD2 LEU 97 7.536 -1.861 1.779 643 2HD2 LEU 97 2HD2 LEU 97 6.580 -0.580 0.994 644 3HD2 LEU 97 3HD2 LEU 97 8.311 -0.755 0.619 645 H SER 98 H SER 98 6.117 1.880 5.094 646 HA SER 98 HA SER 98 5.636 4.749 5.143 647 1HB SER 98 1HB SER 98 3.760 2.851 5.948 648 2HB SER 98 2HB SER 98 4.525 3.331 7.474 649 HG SER 98 HG SER 98 3.671 5.315 7.309 650 H ASP 99 H ASP 99 6.611 5.847 7.008 651 HA ASP 99 HA ASP 99 8.792 4.263 8.083 652 1HB ASP 99 1HB ASP 99 9.220 6.909 8.840 653 2HB ASP 99 2HB ASP 99 9.954 6.109 7.440 654 HD2 ASP 99 HD2 ASP 99 8.593 8.749 5.703 655 H ALA 100 H ALA 100 9.459 5.658 10.389 656 HA ALA 100 HA ALA 100 7.270 4.997 12.125 657 1HB ALA 100 1HB ALA 100 8.975 5.702 13.880 658 2HB ALA 100 2HB ALA 100 9.479 4.368 12.816 659 3HB ALA 100 3HB ALA 100 10.104 6.010 12.540 660 H ALA 101 H ALA 101 7.615 7.511 10.106 661 HA ALA 101 HA ALA 101 6.770 9.498 12.099 662 1HB ALA 101 1HB ALA 101 7.482 11.170 10.445 663 2HB ALA 101 2HB ALA 101 8.817 10.053 10.812 664 3HB ALA 101 3HB ALA 101 7.901 9.877 9.297 665 H GLY 102 H GLY 102 5.734 7.343 9.637 666 1HA GLY 102 1HA GLY 102 3.684 6.994 8.762 667 2HA GLY 102 2HA GLY 102 3.050 8.266 9.787 668 H ASN 103 H ASN 103 5.754 8.660 7.449 669 HA ASN 103 HA ASN 103 4.869 10.983 6.414 670 1HB ASN 103 1HB ASN 103 6.568 8.732 5.316 671 2HB ASN 103 2HB ASN 103 6.183 10.099 4.257 672 1HD2 ASN 103 1HD2 ASN 103 8.514 10.375 4.285 673 2HD2 ASN 103 2HD2 ASN 103 9.264 11.288 5.552 674 H GLY 104 H GLY 104 4.482 10.996 3.703 675 1HA GLY 104 1HA GLY 104 1.814 10.182 3.357 676 2HA GLY 104 2HA GLY 104 2.908 10.762 2.116 677 HA PRO 105 HA PRO 105 2.213 6.165 1.773 678 1HB PRO 105 1HB PRO 105 0.127 6.021 0.015 679 2HB PRO 105 2HB PRO 105 -0.067 5.847 1.758 680 1HG PRO 105 1HG PRO 105 -0.677 8.134 0.000 681 2HG PRO 105 2HG PRO 105 -1.310 7.787 1.649 682 1HD PRO 105 1HD PRO 105 0.668 9.704 0.869 683 2HD PRO 105 2HD PRO 105 0.198 9.287 2.521 684 H GLU 106 H GLU 106 0.865 7.165 -1.242 685 HA GLU 106 HA GLU 106 1.658 7.142 -3.262 686 1HB GLU 106 1HB GLU 106 3.647 8.552 -1.713 687 2HB GLU 106 2HB GLU 106 4.450 7.680 -3.030 688 1HG GLU 106 1HG GLU 106 3.412 8.934 -4.663 689 2HG GLU 106 2HG GLU 106 1.931 9.154 -3.720 690 HE2 GLU 106 HE2 GLU 106 3.261 12.374 -3.440 691 H GLY 107 H GLY 107 1.448 4.632 -2.092 692 1HA GLY 107 1HA GLY 107 3.820 3.088 -2.219 693 2HA GLY 107 2HA GLY 107 2.168 2.501 -2.200 694 H VAL 108 H VAL 108 1.215 1.756 -4.092 695 HA VAL 108 HA VAL 108 2.150 2.593 -6.644 696 HB VAL 108 HB VAL 108 3.996 1.163 -6.179 697 1HG1 VAL 108 1HG1 VAL 108 3.161 -1.425 -5.859 698 2HG1 VAL 108 2HG1 VAL 108 3.673 -0.348 -4.537 699 3HG1 VAL 108 3HG1 VAL 108 1.943 -0.537 -4.913 700 1HG2 VAL 108 1HG2 VAL 108 1.937 0.231 -8.122 701 2HG2 VAL 108 2HG2 VAL 108 3.599 0.806 -8.396 702 3HG2 VAL 108 3HG2 VAL 108 3.315 -0.852 -7.814 703 H ALA 109 H ALA 109 0.199 2.833 -7.603 704 HA ALA 109 HA ALA 109 -2.050 1.325 -6.750 705 1HB ALA 109 1HB ALA 109 -3.108 2.533 -8.737 706 2HB ALA 109 2HB ALA 109 -2.384 3.576 -7.490 707 3HB ALA 109 3HB ALA 109 -1.516 3.278 -9.014 708 H ILE 110 H ILE 110 -1.846 -0.885 -7.078 709 HA ILE 110 HA ILE 110 -1.270 -1.695 -9.841 710 HB ILE 110 HB ILE 110 -0.977 -3.316 -7.312 711 1HG1 ILE 110 1HG1 ILE 110 1.250 -2.098 -8.941 712 2HG1 ILE 110 2HG1 ILE 110 0.568 -1.306 -7.511 713 1HG2 ILE 110 1HG2 ILE 110 0.444 -4.737 -8.884 714 2HG2 ILE 110 2HG2 ILE 110 -1.323 -4.808 -9.093 715 3HG2 ILE 110 3HG2 ILE 110 -0.332 -3.842 -10.213 716 1HD1 ILE 110 1HD1 ILE 110 1.571 -4.175 -7.433 717 2HD1 ILE 110 2HD1 ILE 110 2.664 -2.793 -7.176 718 3HD1 ILE 110 3HD1 ILE 110 1.296 -3.063 -6.070 719 H SER 111 H SER 111 -2.423 -3.881 -10.391 720 HA SER 111 HA SER 111 -5.198 -3.373 -9.867 721 1HB SER 111 1HB SER 111 -3.658 -4.470 -12.006 722 2HB SER 111 2HB SER 111 -4.771 -5.740 -11.469 723 HG SER 111 HG SER 111 -6.444 -3.914 -11.584 724 H PHE 112 H PHE 112 -6.186 -4.310 -8.118 725 HA PHE 112 HA PHE 112 -4.987 -6.718 -7.014 726 1HB PHE 112 1HB PHE 112 -7.159 -4.722 -6.166 727 2HB PHE 112 2HB PHE 112 -6.733 -6.125 -5.181 728 HD1 PHE 112 1HD PHE 112 -5.376 -5.649 -3.393 729 HD2 PHE 112 2HD PHE 112 -4.914 -3.366 -6.941 730 HE1 PHE 112 1HE PHE 112 -3.562 -4.306 -2.294 731 HE2 PHE 112 2HE PHE 112 -3.101 -2.024 -5.841 732 HZ PHE 112 HZ PHE 112 -2.447 -2.510 -3.531 733 H ASN 113 H ASN 113 -5.848 -8.724 -7.305 734 HA ASN 113 HA ASN 113 -7.878 -9.159 -9.071 735 1HB ASN 113 1HB ASN 113 -6.080 -10.749 -7.876 736 2HB ASN 113 2HB ASN 113 -7.439 -11.118 -6.805 737 1HD2 ASN 113 1HD2 ASN 113 -7.688 -13.199 -7.464 738 2HD2 ASN 113 2HD2 ASN 113 -8.266 -13.670 -9.027 Start of MODEL 33 1 H ALA 1 H ALA 1 17.769 6.141 -8.035 2 HA ALA 1 HA ALA 1 17.105 7.879 -9.479 3 1HB ALA 1 1HB ALA 1 16.013 6.251 -11.637 4 2HB ALA 1 2HB ALA 1 17.173 7.600 -11.711 5 3HB ALA 1 3HB ALA 1 17.752 5.943 -11.414 6 H ALA 2 H ALA 2 15.633 7.969 -7.682 7 HA ALA 2 HA ALA 2 13.645 7.891 -6.715 8 1HB ALA 2 1HB ALA 2 12.505 8.873 -8.444 9 2HB ALA 2 2HB ALA 2 13.036 7.658 -9.631 10 3HB ALA 2 3HB ALA 2 11.712 7.281 -8.502 11 HA PRO 3 HA PRO 3 13.731 3.492 -6.058 12 1HB PRO 3 1HB PRO 3 13.619 3.601 -3.329 13 2HB PRO 3 2HB PRO 3 15.133 3.576 -4.233 14 1HG PRO 3 1HG PRO 3 13.754 5.819 -2.900 15 2HG PRO 3 2HG PRO 3 15.484 5.692 -3.384 16 1HD PRO 3 1HD PRO 3 13.386 7.180 -4.644 17 2HD PRO 3 2HD PRO 3 15.033 6.959 -5.249 18 H THR 4 H THR 4 11.973 4.680 -3.305 19 HA THR 4 HA THR 4 9.829 4.509 -2.737 20 HB THR 4 HB THR 4 8.282 5.201 -4.344 21 HG1 THR 4 1HG THR 4 7.980 3.706 -5.946 22 1HG2 THR 4 1HG2 THR 4 9.315 6.658 -5.835 23 2HG2 THR 4 2HG2 THR 4 10.745 6.278 -4.844 24 3HG2 THR 4 3HG2 THR 4 10.476 5.426 -6.384 25 H ALA 5 H ALA 5 8.050 2.967 -2.446 26 HA ALA 5 HA ALA 5 9.104 0.301 -2.551 27 1HB ALA 5 1HB ALA 5 7.964 0.934 -0.556 28 2HB ALA 5 2HB ALA 5 6.578 1.586 -1.464 29 3HB ALA 5 3HB ALA 5 6.858 -0.170 -1.409 30 H THR 6 H THR 6 8.338 -1.442 -3.786 31 HA THR 6 HA THR 6 6.147 -0.930 -5.633 32 HB THR 6 HB THR 6 7.468 -1.264 -7.597 33 HG1 THR 6 1HG THR 6 8.964 -2.860 -7.247 34 1HG2 THR 6 1HG2 THR 6 9.198 0.380 -7.543 35 2HG2 THR 6 2HG2 THR 6 8.090 0.920 -6.258 36 3HG2 THR 6 3HG2 THR 6 9.581 0.043 -5.837 37 H VAL 7 H VAL 7 5.278 -2.876 -6.602 38 HA VAL 7 HA VAL 7 5.947 -5.214 -4.955 39 HB VAL 7 HB VAL 7 3.374 -4.297 -6.240 40 1HG1 VAL 7 1HG1 VAL 7 4.139 -6.989 -5.114 41 2HG1 VAL 7 2HG1 VAL 7 2.455 -6.414 -5.062 42 3HG1 VAL 7 3HG1 VAL 7 3.283 -6.602 -6.626 43 1HG2 VAL 7 1HG2 VAL 7 4.527 -4.085 -3.588 44 2HG2 VAL 7 2HG2 VAL 7 3.051 -3.342 -4.248 45 3HG2 VAL 7 3HG2 VAL 7 2.987 -4.976 -3.544 46 H THR 8 H THR 8 6.890 -6.910 -5.966 47 HA THR 8 HA THR 8 7.884 -6.947 -8.436 48 HB THR 8 HB THR 8 6.884 -9.033 -6.514 49 HG1 THR 8 1HG THR 8 9.035 -8.017 -6.501 50 1HG2 THR 8 1HG2 THR 8 7.992 -9.743 -9.277 51 2HG2 THR 8 2HG2 THR 8 7.524 -10.874 -7.984 52 3HG2 THR 8 3HG2 THR 8 6.277 -9.933 -8.837 53 HA PRO 9 HA PRO 9 4.044 -8.580 -10.525 54 1HB PRO 9 1HB PRO 9 1.829 -9.316 -9.104 55 2HB PRO 9 2HB PRO 9 3.087 -10.452 -9.585 56 1HG PRO 9 1HG PRO 9 2.542 -9.222 -6.959 57 2HG PRO 9 2HG PRO 9 3.489 -10.708 -7.328 58 1HD PRO 9 1HD PRO 9 4.458 -8.112 -6.610 59 2HD PRO 9 2HD PRO 9 5.433 -9.497 -7.120 60 H SER 10 H SER 10 1.305 -8.098 -10.534 61 HA SER 10 HA SER 10 0.913 -5.495 -9.502 62 1HB SER 10 1HB SER 10 0.971 -4.192 -11.422 63 2HB SER 10 2HB SER 10 2.337 -5.281 -11.716 64 HG SER 10 HG SER 10 -0.245 -5.193 -12.938 65 H SER 11 H SER 11 -0.309 -8.167 -9.378 66 HA SER 11 HA SER 11 -2.917 -7.404 -10.394 67 1HB SER 11 1HB SER 11 -3.373 -9.554 -11.311 68 2HB SER 11 2HB SER 11 -1.774 -9.105 -11.934 69 HG SER 11 HG SER 11 -0.803 -10.584 -10.590 70 H GLY 12 H GLY 12 -3.139 -6.755 -8.078 71 1HA GLY 12 1HA GLY 12 -2.837 -8.610 -5.967 72 2HA GLY 12 2HA GLY 12 -3.729 -7.102 -5.934 73 H LEU 13 H LEU 13 -4.949 -8.741 -8.583 74 HA LEU 13 HA LEU 13 -7.421 -9.033 -8.099 75 1HB LEU 13 1HB LEU 13 -6.199 -11.636 -8.845 76 2HB LEU 13 2HB LEU 13 -7.563 -10.767 -9.571 77 HG LEU 13 HG LEU 13 -4.622 -10.104 -9.886 78 1HD1 LEU 13 1HD1 LEU 13 -6.160 -10.752 -12.289 79 2HD1 LEU 13 2HD1 LEU 13 -4.574 -11.345 -11.740 80 3HD1 LEU 13 3HD1 LEU 13 -6.066 -12.100 -11.131 81 1HD2 LEU 13 1HD2 LEU 13 -6.420 -8.199 -9.894 82 2HD2 LEU 13 2HD2 LEU 13 -5.154 -8.253 -11.144 83 3HD2 LEU 13 3HD2 LEU 13 -6.795 -8.833 -11.514 84 H SER 14 H SER 14 -5.160 -11.511 -6.698 85 HA SER 14 HA SER 14 -7.167 -12.667 -5.149 86 1HB SER 14 1HB SER 14 -5.519 -14.190 -5.081 87 2HB SER 14 2HB SER 14 -4.312 -13.000 -5.603 88 HG SER 14 HG SER 14 -3.766 -12.586 -3.520 89 H ASP 15 H ASP 15 -8.194 -11.772 -3.401 90 HA ASP 15 HA ASP 15 -7.505 -9.385 -2.305 91 1HB ASP 15 1HB ASP 15 -9.701 -10.385 -1.997 92 2HB ASP 15 2HB ASP 15 -9.015 -11.747 -1.100 93 HD2 ASP 15 HD2 ASP 15 -8.604 -8.537 1.102 94 H GLY 16 H GLY 16 -5.327 -9.168 -1.576 95 1HA GLY 16 1HA GLY 16 -3.983 -9.186 0.354 96 2HA GLY 16 2HA GLY 16 -4.632 -10.752 0.802 97 H THR 17 H THR 17 -3.498 -9.767 -2.477 98 HA THR 17 HA THR 17 -1.992 -12.102 -2.826 99 HB THR 17 HB THR 17 -2.436 -9.470 -4.215 100 HG1 THR 17 1HG THR 17 -3.593 -11.038 -5.259 101 1HG2 THR 17 1HG2 THR 17 -0.280 -9.415 -5.028 102 2HG2 THR 17 2HG2 THR 17 0.086 -11.040 -4.402 103 3HG2 THR 17 3HG2 THR 17 -0.765 -10.855 -5.955 104 H VAL 18 H VAL 18 -0.775 -12.297 -0.829 105 HA VAL 18 HA VAL 18 1.161 -10.351 -0.158 106 HB VAL 18 HB VAL 18 1.164 -13.276 0.578 107 1HG1 VAL 18 1HG1 VAL 18 2.485 -12.704 2.372 108 2HG1 VAL 18 2HG1 VAL 18 3.035 -11.499 1.183 109 3HG1 VAL 18 3HG1 VAL 18 1.864 -11.038 2.442 110 1HG2 VAL 18 1HG2 VAL 18 -1.036 -12.765 1.103 111 2HG2 VAL 18 2HG2 VAL 18 -0.195 -12.349 2.615 112 3HG2 VAL 18 3HG2 VAL 18 -0.666 -11.064 1.476 113 H VAL 19 H VAL 19 2.434 -9.818 -1.962 114 HA VAL 19 HA VAL 19 4.067 -12.042 -2.975 115 HB VAL 19 HB VAL 19 4.364 -10.377 -4.939 116 1HG1 VAL 19 1HG1 VAL 19 1.852 -11.189 -5.657 117 2HG1 VAL 19 2HG1 VAL 19 3.308 -12.212 -5.721 118 3HG1 VAL 19 3HG1 VAL 19 2.215 -12.306 -4.319 119 1HG2 VAL 19 1HG2 VAL 19 2.871 -8.706 -3.401 120 2HG2 VAL 19 2HG2 VAL 19 2.978 -8.603 -5.175 121 3HG2 VAL 19 3HG2 VAL 19 1.603 -9.437 -4.412 122 H LYS 20 H LYS 20 6.266 -11.077 -3.900 123 HA LYS 20 HA LYS 20 7.539 -9.899 -1.642 124 1HB LYS 20 1HB LYS 20 8.534 -11.656 -3.082 125 2HB LYS 20 2HB LYS 20 8.660 -10.476 -4.398 126 1HG LYS 20 1HG LYS 20 10.262 -9.189 -3.241 127 2HG LYS 20 2HG LYS 20 9.829 -9.871 -1.665 128 1HD LYS 20 1HD LYS 20 10.654 -12.132 -2.680 129 2HD LYS 20 2HD LYS 20 11.442 -11.128 -3.912 130 1HE LYS 20 1HE LYS 20 12.847 -10.083 -2.315 131 2HE LYS 20 2HE LYS 20 11.828 -10.567 -0.950 132 1HZ LYS 20 1HZ LYS 20 13.848 -12.045 -2.343 133 2HZ LYS 20 2HZ LYS 20 13.344 -12.172 -0.795 134 3HZ LYS 20 3HZ LYS 20 12.505 -12.905 -1.989 135 H VAL 21 H VAL 21 8.328 -7.813 -1.359 136 HA VAL 21 HA VAL 21 7.809 -5.937 -3.543 137 HB VAL 21 HB VAL 21 6.922 -5.648 -0.667 138 1HG1 VAL 21 1HG1 VAL 21 7.894 -3.606 -2.202 139 2HG1 VAL 21 2HG1 VAL 21 6.163 -3.561 -2.613 140 3HG1 VAL 21 3HG1 VAL 21 6.678 -3.419 -0.916 141 1HG2 VAL 21 1HG2 VAL 21 5.233 -6.868 -1.669 142 2HG2 VAL 21 2HG2 VAL 21 4.690 -5.202 -1.985 143 3HG2 VAL 21 3HG2 VAL 21 5.500 -6.133 -3.268 144 H ALA 22 H ALA 22 9.352 -4.302 -3.734 145 HA ALA 22 HA ALA 22 11.363 -4.150 -1.622 146 1HB ALA 22 1HB ALA 22 12.543 -5.610 -2.980 147 2HB ALA 22 2HB ALA 22 11.751 -5.036 -4.468 148 3HB ALA 22 3HB ALA 22 13.020 -4.053 -3.698 149 H GLY 23 H GLY 23 12.622 -2.130 -1.724 150 1HA GLY 23 1HA GLY 23 13.011 -0.010 -2.697 151 2HA GLY 23 2HA GLY 23 11.436 -0.071 -3.463 152 H ALA 24 H ALA 24 11.582 2.217 -2.310 153 HA ALA 24 HA ALA 24 9.668 2.704 -0.666 154 1HB ALA 24 1HB ALA 24 10.017 1.097 0.989 155 2HB ALA 24 2HB ALA 24 11.787 1.280 0.941 156 3HB ALA 24 3HB ALA 24 10.783 2.531 1.712 157 H GLY 25 H GLY 25 10.860 4.232 1.521 158 1HA GLY 25 1HA GLY 25 11.565 6.565 0.152 159 2HA GLY 25 2HA GLY 25 11.764 6.259 1.865 160 H LEU 26 H LEU 26 13.380 3.719 0.468 161 HA LEU 26 HA LEU 26 15.546 3.225 0.437 162 1HB LEU 26 1HB LEU 26 15.315 3.881 -1.797 163 2HB LEU 26 2HB LEU 26 15.385 5.606 -1.398 164 HG LEU 26 HG LEU 26 17.811 4.440 -0.503 165 1HD1 LEU 26 1HD1 LEU 26 17.718 2.543 -1.830 166 2HD1 LEU 26 2HD1 LEU 26 16.888 3.384 -3.161 167 3HD1 LEU 26 3HD1 LEU 26 18.614 3.689 -2.855 168 1HD2 LEU 26 1HD2 LEU 26 16.874 6.560 -2.274 169 2HD2 LEU 26 2HD2 LEU 26 18.281 6.509 -1.184 170 3HD2 LEU 26 3HD2 LEU 26 18.400 5.829 -2.825 171 H GLN 27 H GLN 27 15.452 3.843 2.842 172 HA GLN 27 HA GLN 27 16.715 6.318 3.470 173 1HB GLN 27 1HB GLN 27 15.501 4.037 4.967 174 2HB GLN 27 2HB GLN 27 16.722 4.986 5.833 175 1HG GLN 27 1HG GLN 27 14.550 6.427 4.321 176 2HG GLN 27 2HG GLN 27 14.139 5.679 5.871 177 1HE2 GLN 27 1HE2 GLN 27 15.356 8.370 4.307 178 2HE2 GLN 27 2HE2 GLN 27 16.065 9.216 5.642 179 H ALA 28 H ALA 28 17.703 3.456 5.287 180 HA ALA 28 HA ALA 28 19.861 2.474 4.108 181 1HB ALA 28 1HB ALA 28 20.403 5.303 4.968 182 2HB ALA 28 2HB ALA 28 21.694 4.092 5.159 183 3HB ALA 28 3HB ALA 28 21.003 4.410 3.550 184 H GLY 29 H GLY 29 18.227 1.414 5.877 185 1HA GLY 29 1HA GLY 29 18.695 -0.020 7.666 186 2HA GLY 29 2HA GLY 29 19.898 1.103 8.270 187 H THR 30 H THR 30 16.336 0.970 7.541 188 HA THR 30 HA THR 30 15.773 1.941 10.200 189 HB THR 30 HB THR 30 15.199 3.585 7.682 190 HG1 THR 30 1HG THR 30 16.904 4.689 8.568 191 1HG2 THR 30 1HG2 THR 30 13.217 3.752 9.131 192 2HG2 THR 30 2HG2 THR 30 14.247 3.916 10.574 193 3HG2 THR 30 3HG2 THR 30 14.202 5.217 9.360 194 H ALA 31 H ALA 31 13.316 2.095 10.524 195 HA ALA 31 HA ALA 31 12.242 -0.356 9.497 196 1HB ALA 31 1HB ALA 31 10.374 0.179 11.030 197 2HB ALA 31 2HB ALA 31 11.949 0.329 11.846 198 3HB ALA 31 3HB ALA 31 11.076 1.788 11.319 199 H TYR 32 H TYR 32 10.198 -0.543 8.333 200 HA TYR 32 HA TYR 32 9.237 1.887 7.063 201 1HB TYR 32 1HB TYR 32 10.724 -0.468 5.848 202 2HB TYR 32 2HB TYR 32 9.415 0.235 4.894 203 HD1 TYR 32 1HD TYR 32 9.554 2.698 4.274 204 HD2 TYR 32 2HD TYR 32 12.854 0.548 5.946 205 HE1 TYR 32 1HE TYR 32 11.154 4.484 3.430 206 HE2 TYR 32 2HE TYR 32 14.443 2.342 5.097 207 HH TYR 32 HH TYR 32 13.296 4.926 3.014 208 H ASP 33 H ASP 33 7.420 1.289 8.532 209 HA ASP 33 HA ASP 33 6.132 -1.096 8.471 210 1HB ASP 33 1HB ASP 33 5.636 1.572 9.386 211 2HB ASP 33 2HB ASP 33 4.170 1.038 8.547 212 HD2 ASP 33 HD2 ASP 33 3.343 -1.137 11.091 213 H VAL 34 H VAL 34 4.762 -2.120 6.966 214 HA VAL 34 HA VAL 34 4.619 -1.082 4.350 215 HB VAL 34 HB VAL 34 3.445 -3.425 5.814 216 1HG1 VAL 34 1HG1 VAL 34 1.733 -2.632 4.197 217 2HG1 VAL 34 2HG1 VAL 34 2.935 -2.777 2.891 218 3HG1 VAL 34 3HG1 VAL 34 2.400 -4.227 3.776 219 1HG2 VAL 34 1HG2 VAL 34 4.863 -4.712 4.302 220 2HG2 VAL 34 2HG2 VAL 34 5.344 -3.224 3.452 221 3HG2 VAL 34 3HG2 VAL 34 5.824 -3.475 5.147 222 H GLY 35 H GLY 35 2.696 -0.467 3.133 223 1HA GLY 35 1HA GLY 35 0.407 0.374 4.777 224 2HA GLY 35 2HA GLY 35 1.263 1.575 3.831 225 H GLN 36 H GLN 36 -1.416 1.173 3.289 226 HA GLN 36 HA GLN 36 -1.275 0.432 0.576 227 1HB GLN 36 1HB GLN 36 -1.993 -1.631 2.444 228 2HB GLN 36 2HB GLN 36 -3.433 -1.223 1.494 229 1HG GLN 36 1HG GLN 36 -1.442 -1.276 -0.431 230 2HG GLN 36 2HG GLN 36 -0.920 -2.561 0.668 231 1HE2 GLN 36 1HE2 GLN 36 -3.376 -1.397 -1.508 232 2HE2 GLN 36 2HE2 GLN 36 -4.273 -2.868 -1.689 233 H CYS 37 H CYS 37 -2.568 1.910 -0.425 234 HA CYS 37 HA CYS 37 -5.005 2.693 0.986 235 1HB CYS 37 1HB CYS 37 -3.268 4.636 -0.514 236 2HB CYS 37 2HB CYS 37 -4.690 4.994 0.482 237 H ALA 38 H ALA 38 -6.311 4.166 -0.827 238 HA ALA 38 HA ALA 38 -5.945 3.003 -3.466 239 1HB ALA 38 1HB ALA 38 -7.641 1.546 -3.268 240 2HB ALA 38 2HB ALA 38 -7.871 2.031 -1.572 241 3HB ALA 38 3HB ALA 38 -8.743 2.884 -2.868 242 H TRP 39 H TRP 39 -5.848 4.758 -4.769 243 HA TRP 39 HA TRP 39 -7.187 7.186 -3.921 244 1HB TRP 39 1HB TRP 39 -5.293 7.986 -4.722 245 2HB TRP 39 2HB TRP 39 -4.898 6.487 -5.564 246 HD1 TRP 39 HD TRP 39 -6.544 9.909 -6.168 247 HE1 TRP 39 1HE TRP 39 -6.876 10.377 -8.744 248 HE3 TRP 39 3HE TRP 39 -5.245 5.243 -7.718 249 HZ2 TRP 39 2HZ TRP 39 -6.566 8.778 -11.088 250 HZ3 TRP 39 3HZ TRP 39 -5.286 4.780 -10.167 251 HH2 TRP 39 HH TRP 39 -5.918 6.456 -11.830 252 H VAL 40 H VAL 40 -9.047 7.992 -4.885 253 HA VAL 40 HA VAL 40 -10.119 6.372 -7.092 254 HB VAL 40 HB VAL 40 -11.614 7.874 -4.934 255 1HG1 VAL 40 1HG1 VAL 40 -13.415 7.663 -6.230 256 2HG1 VAL 40 2HG1 VAL 40 -12.432 6.886 -7.494 257 3HG1 VAL 40 3HG1 VAL 40 -13.205 5.896 -6.233 258 1HG2 VAL 40 1HG2 VAL 40 -10.410 5.231 -4.946 259 2HG2 VAL 40 2HG2 VAL 40 -11.204 6.115 -3.620 260 3HG2 VAL 40 3HG2 VAL 40 -12.175 5.133 -4.742 261 H ASP 41 H ASP 41 -12.035 9.077 -6.312 262 HA ASP 41 HA ASP 41 -11.360 10.291 -8.762 263 1HB ASP 41 1HB ASP 41 -13.246 10.846 -6.479 264 2HB ASP 41 2HB ASP 41 -12.927 12.157 -7.627 265 HD2 ASP 41 HD2 ASP 41 -14.968 10.751 -10.001 266 H THR 42 H THR 42 -8.945 10.359 -7.633 267 HA THR 42 HA THR 42 -7.263 11.609 -6.892 268 HB THR 42 HB THR 42 -9.236 13.622 -8.001 269 HG1 THR 42 1HG THR 42 -7.457 13.673 -9.523 270 1HG2 THR 42 1HG2 THR 42 -6.936 14.217 -6.197 271 2HG2 THR 42 2HG2 THR 42 -6.857 15.028 -7.779 272 3HG2 THR 42 3HG2 THR 42 -8.265 15.280 -6.719 273 H GLY 43 H GLY 43 -9.905 13.796 -5.762 274 1HA GLY 43 1HA GLY 43 -8.713 13.908 -3.150 275 2HA GLY 43 2HA GLY 43 -10.169 14.711 -3.703 276 H VAL 44 H VAL 44 -9.563 11.186 -4.011 277 HA VAL 44 HA VAL 44 -11.269 10.651 -1.729 278 HB VAL 44 HB VAL 44 -11.969 9.787 -4.542 279 1HG1 VAL 44 1HG1 VAL 44 -13.208 9.107 -1.859 280 2HG1 VAL 44 2HG1 VAL 44 -14.014 8.833 -3.421 281 3HG1 VAL 44 3HG1 VAL 44 -12.492 7.991 -3.046 282 1HG2 VAL 44 1HG2 VAL 44 -13.275 11.751 -2.638 283 2HG2 VAL 44 2HG2 VAL 44 -12.616 12.071 -4.259 284 3HG2 VAL 44 3HG2 VAL 44 -14.084 11.083 -4.075 285 H LEU 45 H LEU 45 -8.831 10.100 -1.309 286 HA LEU 45 HA LEU 45 -8.340 7.391 -2.332 287 1HB LEU 45 1HB LEU 45 -6.687 9.004 -3.034 288 2HB LEU 45 2HB LEU 45 -6.393 9.484 -1.355 289 HG LEU 45 HG LEU 45 -5.880 6.714 -2.470 290 1HD1 LEU 45 1HD1 LEU 45 -3.494 8.185 -1.773 291 2HD1 LEU 45 2HD1 LEU 45 -3.930 7.375 -3.297 292 3HD1 LEU 45 3HD1 LEU 45 -4.433 9.059 -3.007 293 1HD2 LEU 45 1HD2 LEU 45 -6.028 6.317 -0.233 294 2HD2 LEU 45 2HD2 LEU 45 -4.324 6.826 -0.317 295 3HD2 LEU 45 3HD2 LEU 45 -5.572 7.979 0.213 296 H ALA 46 H ALA 46 -9.105 5.934 -0.887 297 HA ALA 46 HA ALA 46 -9.062 6.619 1.930 298 1HB ALA 46 1HB ALA 46 -10.602 4.917 0.147 299 2HB ALA 46 2HB ALA 46 -10.003 3.983 1.538 300 3HB ALA 46 3HB ALA 46 -10.978 5.448 1.805 301 H CYS 47 H CYS 47 -7.432 6.047 3.276 302 HA CYS 47 HA CYS 47 -5.406 4.275 2.215 303 1HB CYS 47 1HB CYS 47 -5.543 6.405 4.208 304 2HB CYS 47 2HB CYS 47 -4.564 5.019 4.722 305 H ASN 48 H ASN 48 -4.600 2.443 3.583 306 HA ASN 48 HA ASN 48 -6.792 1.377 5.184 307 1HB ASN 48 1HB ASN 48 -6.179 0.130 3.053 308 2HB ASN 48 2HB ASN 48 -4.584 -0.187 3.750 309 1HD2 ASN 48 1HD2 ASN 48 -4.326 -1.711 5.289 310 2HD2 ASN 48 2HD2 ASN 48 -5.568 -2.786 5.840 311 HA PRO 49 HA PRO 49 -3.300 1.939 8.015 312 1HB PRO 49 1HB PRO 49 -4.764 2.729 10.181 313 2HB PRO 49 2HB PRO 49 -4.075 3.861 9.019 314 1HG PRO 49 1HG PRO 49 -6.857 2.929 9.341 315 2HG PRO 49 2HG PRO 49 -6.256 4.406 8.501 316 1HD PRO 49 1HD PRO 49 -7.208 1.963 7.347 317 2HD PRO 49 2HD PRO 49 -6.479 3.325 6.485 318 H ALA 50 H ALA 50 -4.458 -0.530 7.238 319 HA ALA 50 HA ALA 50 -4.370 -1.826 9.876 320 1HB ALA 50 1HB ALA 50 -6.398 -2.708 9.489 321 2HB ALA 50 2HB ALA 50 -6.511 -1.756 7.989 322 3HB ALA 50 3HB ALA 50 -5.824 -3.399 7.952 323 H ASP 51 H ASP 51 -2.777 -1.229 7.006 324 HA ASP 51 HA ASP 51 -2.027 -3.478 5.868 325 1HB ASP 51 1HB ASP 51 0.420 -2.398 6.020 326 2HB ASP 51 2HB ASP 51 -0.854 -1.662 5.036 327 HD2 ASP 51 HD2 ASP 51 0.436 0.225 8.278 328 H PHE 52 H PHE 52 -0.620 -2.128 8.947 329 HA PHE 52 HA PHE 52 0.328 -3.099 10.688 330 1HB PHE 52 1HB PHE 52 -1.439 -5.068 9.535 331 2HB PHE 52 2HB PHE 52 0.046 -5.927 9.958 332 HD1 PHE 52 1HD PHE 52 -2.849 -6.106 11.137 333 HD2 PHE 52 2HD PHE 52 0.704 -4.149 12.385 334 HE1 PHE 52 1HE PHE 52 -3.619 -6.226 13.523 335 HE2 PHE 52 2HE PHE 52 -0.067 -4.269 14.770 336 HZ PHE 52 HZ PHE 52 -2.220 -5.306 15.311 337 H SER 53 H SER 53 0.892 -5.156 7.741 338 HA SER 53 HA SER 53 3.187 -6.292 8.266 339 1HB SER 53 1HB SER 53 2.140 -4.954 5.798 340 2HB SER 53 2HB SER 53 3.818 -5.523 5.762 341 HG SER 53 HG SER 53 2.911 -7.400 5.249 342 H SER 54 H SER 54 5.513 -5.775 7.948 343 HA SER 54 HA SER 54 6.179 -3.001 7.774 344 1HB SER 54 1HB SER 54 5.707 -3.161 10.157 345 2HB SER 54 2HB SER 54 6.730 -4.600 10.311 346 HG SER 54 HG SER 54 8.276 -2.718 9.207 347 H VAL 55 H VAL 55 8.406 -2.698 7.168 348 HA VAL 55 HA VAL 55 10.055 -5.092 7.051 349 HB VAL 55 HB VAL 55 9.036 -5.266 4.957 350 1HG1 VAL 55 1HG1 VAL 55 8.094 -2.837 5.160 351 2HG1 VAL 55 2HG1 VAL 55 9.536 -2.391 4.215 352 3HG1 VAL 55 3HG1 VAL 55 8.357 -3.546 3.549 353 1HG2 VAL 55 1HG2 VAL 55 10.809 -4.806 3.354 354 2HG2 VAL 55 2HG2 VAL 55 11.555 -3.639 4.472 355 3HG2 VAL 55 3HG2 VAL 55 11.511 -5.369 4.890 356 H THR 56 H THR 56 12.357 -4.447 6.302 357 HA THR 56 HA THR 56 12.922 -1.718 7.264 358 HB THR 56 HB THR 56 14.068 -4.421 7.997 359 HG1 THR 56 1HG THR 56 12.735 -3.357 9.524 360 1HG2 THR 56 1HG2 THR 56 16.029 -3.054 7.142 361 2HG2 THR 56 2HG2 THR 56 15.554 -1.756 8.264 362 3HG2 THR 56 3HG2 THR 56 16.087 -3.332 8.899 363 H ALA 57 H ALA 57 14.797 -0.670 6.361 364 HA ALA 57 HA ALA 57 14.931 -0.965 3.595 365 1HB ALA 57 1HB ALA 57 15.684 1.113 4.041 366 2HB ALA 57 2HB ALA 57 16.115 0.678 5.711 367 3HB ALA 57 3HB ALA 57 17.260 0.362 4.385 368 H ASP 58 H ASP 58 17.252 -1.201 2.485 369 HA ASP 58 HA ASP 58 18.581 -3.472 3.720 370 1HB ASP 58 1HB ASP 58 18.808 -4.471 1.418 371 2HB ASP 58 2HB ASP 58 17.143 -4.435 2.015 372 HD2 ASP 58 HD2 ASP 58 16.844 -3.301 -1.315 373 H ALA 59 H ALA 59 20.835 -3.192 3.678 374 HA ALA 59 HA ALA 59 22.381 -1.305 3.509 375 1HB ALA 59 1HB ALA 59 22.957 -3.260 1.273 376 2HB ALA 59 2HB ALA 59 24.087 -2.523 2.432 377 3HB ALA 59 3HB ALA 59 22.954 -3.784 2.974 378 H ASN 60 H ASN 60 20.897 0.461 2.724 379 HA ASN 60 HA ASN 60 21.868 1.834 0.717 380 1HB ASN 60 1HB ASN 60 21.469 0.224 -1.001 381 2HB ASN 60 2HB ASN 60 19.859 -0.177 -0.383 382 1HD2 ASN 60 1HD2 ASN 60 19.432 0.168 -2.730 383 2HD2 ASN 60 2HD2 ASN 60 18.995 1.757 -3.261 384 H GLY 61 H GLY 61 18.786 0.468 1.997 385 1HA GLY 61 1HA GLY 61 17.544 2.052 3.427 386 2HA GLY 61 2HA GLY 61 17.676 3.210 2.119 387 H SER 62 H SER 62 17.442 0.427 0.410 388 HA SER 62 HA SER 62 14.685 0.874 -0.096 389 1HB SER 62 1HB SER 62 15.704 0.340 -2.072 390 2HB SER 62 2HB SER 62 16.911 -0.708 -1.305 391 HG SER 62 HG SER 62 15.287 -2.355 -1.118 392 H ALA 63 H ALA 63 12.932 -0.347 0.610 393 HA ALA 63 HA ALA 63 13.451 -2.261 2.683 394 1HB ALA 63 1HB ALA 63 11.487 -1.389 3.338 395 2HB ALA 63 2HB ALA 63 11.291 -0.560 1.774 396 3HB ALA 63 3HB ALA 63 10.703 -2.228 1.979 397 H SER 64 H SER 64 12.540 -4.475 2.672 398 HA SER 64 HA SER 64 11.912 -5.530 0.084 399 1HB SER 64 1HB SER 64 13.695 -7.080 -0.084 400 2HB SER 64 2HB SER 64 14.476 -5.546 0.334 401 HG SER 64 HG SER 64 15.133 -6.381 2.202 402 H THR 65 H THR 65 10.132 -6.785 0.492 403 HA THR 65 HA THR 65 10.113 -8.951 2.199 404 HB THR 65 HB THR 65 10.084 -6.614 3.720 405 HG1 THR 65 1HG THR 65 9.777 -8.238 5.275 406 1HG2 THR 65 1HG2 THR 65 7.237 -7.658 3.309 407 2HG2 THR 65 2HG2 THR 65 7.741 -6.743 4.750 408 3HG2 THR 65 3HG2 THR 65 7.796 -5.976 3.145 409 H SER 66 H SER 66 7.823 -9.820 2.538 410 HA SER 66 HA SER 66 6.472 -9.348 0.055 411 1HB SER 66 1HB SER 66 5.309 -11.372 0.480 412 2HB SER 66 2HB SER 66 6.948 -11.654 1.094 413 HG SER 66 HG SER 66 5.635 -10.650 3.158 414 H LEU 67 H LEU 67 4.735 -7.979 -0.150 415 HA LEU 67 HA LEU 67 3.424 -7.147 2.337 416 1HB LEU 67 1HB LEU 67 4.077 -5.805 -0.232 417 2HB LEU 67 2HB LEU 67 2.616 -5.294 0.632 418 HG LEU 67 HG LEU 67 3.921 -4.668 2.563 419 1HD1 LEU 67 1HD1 LEU 67 5.692 -6.012 2.942 420 2HD1 LEU 67 2HD1 LEU 67 6.043 -6.232 1.210 421 3HD1 LEU 67 3HD1 LEU 67 6.565 -4.748 2.043 422 1HD2 LEU 67 1HD2 LEU 67 5.491 -2.958 1.446 423 2HD2 LEU 67 2HD2 LEU 67 4.869 -3.606 -0.090 424 3HD2 LEU 67 3HD2 LEU 67 3.750 -2.875 1.085 425 H THR 68 H THR 68 1.127 -7.115 2.469 426 HA THR 68 HA THR 68 -0.100 -9.111 0.755 427 HB THR 68 HB THR 68 -0.320 -9.140 3.267 428 HG1 THR 68 1HG THR 68 -2.618 -8.507 1.558 429 1HG2 THR 68 1HG2 THR 68 -2.422 -7.105 3.355 430 2HG2 THR 68 2HG2 THR 68 -1.023 -7.306 4.438 431 3HG2 THR 68 3HG2 THR 68 -0.859 -6.360 2.939 432 H VAL 69 H VAL 69 -0.444 -8.258 -1.266 433 HA VAL 69 HA VAL 69 -1.465 -5.629 -1.595 434 HB VAL 69 HB VAL 69 -1.438 -7.926 -3.557 435 1HG1 VAL 69 1HG1 VAL 69 -1.704 -4.934 -3.797 436 2HG1 VAL 69 2HG1 VAL 69 -1.032 -5.895 -5.136 437 3HG1 VAL 69 3HG1 VAL 69 -2.680 -6.220 -4.545 438 1HG2 VAL 69 1HG2 VAL 69 0.772 -5.961 -2.865 439 2HG2 VAL 69 2HG2 VAL 69 0.789 -7.725 -2.622 440 3HG2 VAL 69 3HG2 VAL 69 0.781 -7.054 -4.270 441 H ARG 70 H ARG 70 -3.201 -6.169 0.178 442 HA ARG 70 HA ARG 70 -5.257 -7.838 -0.231 443 1HB ARG 70 1HB ARG 70 -5.379 -4.980 0.837 444 2HB ARG 70 2HB ARG 70 -6.633 -6.203 1.110 445 1HG ARG 70 1HG ARG 70 -5.430 -7.213 2.746 446 2HG ARG 70 2HG ARG 70 -3.923 -7.145 1.813 447 1HD ARG 70 1HD ARG 70 -4.963 -4.552 2.889 448 2HD ARG 70 2HD ARG 70 -4.343 -5.700 4.084 449 HE ARG 70 HE ARG 70 -2.414 -5.639 2.060 450 1HH1 ARG 70 1HH1 ARG 70 -3.891 -3.264 4.197 451 2HH1 ARG 70 2HH1 ARG 70 -2.496 -2.237 4.228 452 1HH2 ARG 70 1HH2 ARG 70 -0.575 -4.283 2.102 453 2HH2 ARG 70 2HH2 ARG 70 -0.597 -2.821 3.028 454 H ARG 71 H ARG 71 -7.308 -7.756 -1.328 455 HA ARG 71 HA ARG 71 -7.237 -6.046 -3.627 456 1HB ARG 71 1HB ARG 71 -7.795 -8.397 -3.970 457 2HB ARG 71 2HB ARG 71 -9.112 -8.311 -2.787 458 1HG ARG 71 1HG ARG 71 -9.341 -6.284 -4.907 459 2HG ARG 71 2HG ARG 71 -9.344 -7.936 -5.551 460 1HD ARG 71 1HD ARG 71 -11.025 -8.136 -3.347 461 2HD ARG 71 2HD ARG 71 -11.393 -6.513 -3.951 462 HE ARG 71 HE ARG 71 -11.452 -7.970 -6.252 463 1HH1 ARG 71 1HH1 ARG 71 -12.901 -8.572 -3.102 464 2HH1 ARG 71 2HH1 ARG 71 -14.239 -9.464 -3.746 465 1HH2 ARG 71 1HH2 ARG 71 -13.217 -9.146 -7.102 466 2HH2 ARG 71 2HH2 ARG 71 -14.420 -9.793 -6.036 467 H SER 72 H SER 72 -9.642 -6.957 -1.041 468 HA SER 72 HA SER 72 -10.685 -4.247 -1.301 469 1HB SER 72 1HB SER 72 -12.948 -5.150 -0.814 470 2HB SER 72 2HB SER 72 -12.286 -5.798 -2.327 471 HG SER 72 HG SER 72 -12.232 -7.782 -1.475 472 H PHE 73 H PHE 73 -11.754 -3.438 0.741 473 HA PHE 73 HA PHE 73 -11.709 -4.797 3.133 474 1HB PHE 73 1HB PHE 73 -9.637 -3.716 4.132 475 2HB PHE 73 2HB PHE 73 -9.240 -4.849 2.836 476 HD1 PHE 73 1HD PHE 73 -8.076 -4.117 0.921 477 HD2 PHE 73 2HD PHE 73 -9.641 -1.256 3.636 478 HE1 PHE 73 1HE PHE 73 -6.800 -2.303 -0.255 479 HE2 PHE 73 2HE PHE 73 -8.365 0.558 2.460 480 HZ PHE 73 HZ PHE 73 -6.959 0.013 0.529 481 H GLU 74 H GLU 74 -11.010 -2.742 4.960 482 HA GLU 74 HA GLU 74 -13.174 -0.955 4.404 483 1HB GLU 74 1HB GLU 74 -12.686 -0.134 6.738 484 2HB GLU 74 2HB GLU 74 -13.046 -1.868 6.640 485 1HG GLU 74 1HG GLU 74 -10.187 -1.299 6.293 486 2HG GLU 74 2HG GLU 74 -10.794 -0.684 7.838 487 HE2 GLU 74 HE2 GLU 74 -10.599 -3.870 9.081 488 H GLY 75 H GLY 75 -12.829 0.849 3.182 489 1HA GLY 75 1HA GLY 75 -10.156 1.994 3.036 490 2HA GLY 75 2HA GLY 75 -11.552 2.398 2.056 491 H PHE 76 H PHE 76 -9.508 3.619 4.369 492 HA PHE 76 HA PHE 76 -11.583 5.099 5.785 493 1HB PHE 76 1HB PHE 76 -8.524 4.916 6.018 494 2HB PHE 76 2HB PHE 76 -9.550 5.797 7.154 495 HD1 PHE 76 1HD PHE 76 -10.340 4.707 9.046 496 HD2 PHE 76 2HD PHE 76 -9.004 2.387 5.752 497 HE1 PHE 76 1HE PHE 76 -10.591 2.618 10.414 498 HE2 PHE 76 2HE PHE 76 -9.256 0.299 7.121 499 HZ PHE 76 HZ PHE 76 -10.046 0.439 9.435 500 H LEU 77 H LEU 77 -12.172 7.103 5.115 501 HA LEU 77 HA LEU 77 -11.589 8.407 2.960 502 1HB LEU 77 1HB LEU 77 -11.759 9.623 5.708 503 2HB LEU 77 2HB LEU 77 -11.849 10.562 4.206 504 HG LEU 77 HG LEU 77 -13.745 8.350 4.231 505 1HD1 LEU 77 1HD1 LEU 77 -14.920 8.625 6.127 506 2HD1 LEU 77 2HD1 LEU 77 -13.386 9.266 6.762 507 3HD1 LEU 77 3HD1 LEU 77 -14.643 10.383 6.175 508 1HD2 LEU 77 1HD2 LEU 77 -15.209 10.642 4.076 509 2HD2 LEU 77 2HD2 LEU 77 -13.615 11.208 3.520 510 3HD2 LEU 77 3HD2 LEU 77 -14.413 9.846 2.697 511 H PHE 78 H PHE 78 -9.691 9.558 5.818 512 HA PHE 78 HA PHE 78 -7.566 10.107 6.039 513 1HB PHE 78 1HB PHE 78 -7.432 7.747 4.811 514 2HB PHE 78 2HB PHE 78 -6.973 8.695 3.391 515 HD1 PHE 78 1HD PHE 78 -5.996 7.821 6.850 516 HD2 PHE 78 2HD PHE 78 -4.771 9.532 3.164 517 HE1 PHE 78 1HE PHE 78 -3.614 7.824 7.642 518 HE2 PHE 78 2HE PHE 78 -2.390 9.535 3.957 519 HZ PHE 78 HZ PHE 78 -1.840 8.681 6.187 520 H ASP 79 H ASP 79 -9.570 11.208 3.697 521 HA ASP 79 HA ASP 79 -8.162 13.530 3.300 522 1HB ASP 79 1HB ASP 79 -6.882 11.781 1.801 523 2HB ASP 79 2HB ASP 79 -8.264 11.959 0.709 524 HD2 ASP 79 HD2 ASP 79 -6.353 14.462 -0.679 525 H GLY 80 H GLY 80 -10.450 11.063 2.037 526 1HA GLY 80 1HA GLY 80 -12.762 12.429 2.227 527 2HA GLY 80 2HA GLY 80 -12.126 13.004 0.699 528 H THR 81 H THR 81 -12.163 9.782 2.400 529 HA THR 81 HA THR 81 -13.702 8.688 0.182 530 HB THR 81 HB THR 81 -11.157 7.275 1.042 531 HG1 THR 81 1HG THR 81 -10.270 9.207 0.313 532 1HG2 THR 81 1HG2 THR 81 -12.126 5.900 -0.559 533 2HG2 THR 81 2HG2 THR 81 -13.101 7.223 -1.242 534 3HG2 THR 81 3HG2 THR 81 -11.384 7.063 -1.683 535 H ARG 82 H ARG 82 -15.465 8.317 1.486 536 HA ARG 82 HA ARG 82 -14.968 6.899 3.939 537 1HB ARG 82 1HB ARG 82 -17.465 7.193 4.257 538 2HB ARG 82 2HB ARG 82 -16.587 8.721 4.063 539 1HG ARG 82 1HG ARG 82 -17.850 9.237 2.275 540 2HG ARG 82 2HG ARG 82 -17.357 7.748 1.450 541 1HD ARG 82 1HD ARG 82 -19.263 6.608 2.101 542 2HD ARG 82 2HD ARG 82 -19.422 7.501 3.620 543 HE ARG 82 HE ARG 82 -20.680 9.141 2.493 544 1HH1 ARG 82 1HH1 ARG 82 -19.158 6.993 0.159 545 2HH1 ARG 82 2HH1 ARG 82 -20.048 7.617 -1.188 546 1HH2 ARG 82 1HH2 ARG 82 -21.855 9.966 0.715 547 2HH2 ARG 82 2HH2 ARG 82 -21.592 9.320 -0.871 548 H TRP 83 H TRP 83 -14.524 4.725 3.476 549 HA TRP 83 HA TRP 83 -16.484 3.358 1.760 550 1HB TRP 83 1HB TRP 83 -13.543 2.898 2.189 551 2HB TRP 83 2HB TRP 83 -14.599 1.644 1.536 552 HD1 TRP 83 HD TRP 83 -12.245 3.937 0.192 553 HE1 TRP 83 1HE TRP 83 -12.730 4.788 -2.259 554 HE3 TRP 83 3HE TRP 83 -17.142 2.569 0.123 555 HZ2 TRP 83 2HZ TRP 83 -15.055 4.793 -3.913 556 HZ3 TRP 83 3HZ TRP 83 -18.449 3.033 -1.949 557 HH2 TRP 83 HH TRP 83 -17.481 4.105 -3.920 558 H GLY 84 H GLY 84 -14.002 2.132 4.080 559 1HA GLY 84 1HA GLY 84 -14.298 1.268 6.187 560 2HA GLY 84 2HA GLY 84 -16.031 1.487 6.056 561 H THR 85 H THR 85 -16.274 0.176 3.394 562 HA THR 85 HA THR 85 -15.213 -2.455 3.604 563 HB THR 85 HB THR 85 -17.882 -1.792 4.809 564 HG1 THR 85 1HG THR 85 -17.101 -3.688 6.024 565 1HG2 THR 85 1HG2 THR 85 -18.925 -3.172 3.227 566 2HG2 THR 85 2HG2 THR 85 -17.414 -4.024 2.830 567 3HG2 THR 85 3HG2 THR 85 -18.287 -4.416 4.329 568 H VAL 86 H VAL 86 -14.516 -1.840 1.494 569 HA VAL 86 HA VAL 86 -16.544 -2.434 -0.468 570 HB VAL 86 HB VAL 86 -16.360 0.150 0.115 571 1HG1 VAL 86 1HG1 VAL 86 -14.861 1.265 -1.562 572 2HG1 VAL 86 2HG1 VAL 86 -14.000 0.427 -0.249 573 3HG1 VAL 86 3HG1 VAL 86 -14.107 -0.319 -1.862 574 1HG2 VAL 86 1HG2 VAL 86 -17.418 -1.366 -1.946 575 2HG2 VAL 86 2HG2 VAL 86 -17.704 0.369 -1.667 576 3HG2 VAL 86 3HG2 VAL 86 -16.434 -0.153 -2.799 577 H ASP 87 H ASP 87 -15.303 -2.223 -2.783 578 HA ASP 87 HA ASP 87 -13.074 -3.962 -2.425 579 1HB ASP 87 1HB ASP 87 -13.663 -2.883 -5.132 580 2HB ASP 87 2HB ASP 87 -13.447 -4.562 -4.619 581 HD2 ASP 87 HD2 ASP 87 -17.080 -3.066 -4.920 582 H CYS 88 H CYS 88 -10.875 -3.473 -3.112 583 HA CYS 88 HA CYS 88 -10.350 -0.618 -3.238 584 1HB CYS 88 1HB CYS 88 -9.204 -2.591 -1.771 585 2HB CYS 88 2HB CYS 88 -8.071 -2.480 -3.131 586 H THR 89 H THR 89 -10.412 -3.592 -5.119 587 HA THR 89 HA THR 89 -8.555 -2.887 -7.113 588 HB THR 89 HB THR 89 -9.567 -5.186 -6.554 589 HG1 THR 89 1HG THR 89 -8.441 -4.440 -8.608 590 1HG2 THR 89 1HG2 THR 89 -11.693 -4.712 -8.575 591 2HG2 THR 89 2HG2 THR 89 -11.748 -5.691 -7.090 592 3HG2 THR 89 3HG2 THR 89 -12.017 -3.934 -7.008 593 H THR 90 H THR 90 -11.842 -1.828 -6.438 594 HA THR 90 HA THR 90 -12.260 -0.844 -9.112 595 HB THR 90 HB THR 90 -13.737 -1.031 -6.502 596 HG1 THR 90 1HG THR 90 -15.329 -1.654 -8.211 597 1HG2 THR 90 1HG2 THR 90 -15.448 0.555 -7.187 598 2HG2 THR 90 2HG2 THR 90 -13.905 1.442 -7.211 599 3HG2 THR 90 3HG2 THR 90 -14.622 0.863 -8.733 600 H ALA 91 H ALA 91 -10.615 0.236 -6.248 601 HA ALA 91 HA ALA 91 -10.605 2.964 -7.344 602 1HB ALA 91 1HB ALA 91 -10.779 1.835 -4.609 603 2HB ALA 91 2HB ALA 91 -9.629 3.182 -4.791 604 3HB ALA 91 3HB ALA 91 -11.338 3.404 -5.239 605 H ALA 92 H ALA 92 -9.010 0.537 -8.198 606 HA ALA 92 HA ALA 92 -6.876 -0.148 -8.396 607 1HB ALA 92 1HB ALA 92 -6.722 1.292 -10.177 608 2HB ALA 92 2HB ALA 92 -7.123 2.721 -9.196 609 3HB ALA 92 3HB ALA 92 -5.481 2.036 -9.140 610 H CYS 93 H CYS 93 -6.998 -0.497 -5.885 611 HA CYS 93 HA CYS 93 -5.901 1.227 -4.095 612 1HB CYS 93 1HB CYS 93 -6.814 -1.326 -4.040 613 2HB CYS 93 2HB CYS 93 -5.088 -1.580 -3.724 614 H GLN 94 H GLN 94 -3.598 0.536 -2.940 615 HA GLN 94 HA GLN 94 -1.602 -0.159 -4.834 616 1HB GLN 94 1HB GLN 94 -0.347 1.945 -4.754 617 2HB GLN 94 2HB GLN 94 -1.961 2.225 -5.435 618 1HG GLN 94 1HG GLN 94 -1.576 2.538 -2.467 619 2HG GLN 94 2HG GLN 94 -0.934 3.807 -3.523 620 1HE2 GLN 94 1HE2 GLN 94 -2.529 5.077 -2.310 621 2HE2 GLN 94 2HE2 GLN 94 -4.162 5.162 -2.884 622 H VAL 95 H VAL 95 0.437 -0.642 -3.798 623 HA VAL 95 HA VAL 95 0.268 -0.546 -0.864 624 HB VAL 95 HB VAL 95 1.595 -2.656 -2.576 625 1HG1 VAL 95 1HG1 VAL 95 2.364 -3.600 -0.684 626 2HG1 VAL 95 2HG1 VAL 95 2.081 -2.004 0.051 627 3HG1 VAL 95 3HG1 VAL 95 0.854 -3.284 0.203 628 1HG2 VAL 95 1HG2 VAL 95 -1.163 -2.284 -2.157 629 2HG2 VAL 95 2HG2 VAL 95 -0.348 -3.734 -2.791 630 3HG2 VAL 95 3HG2 VAL 95 -0.682 -3.592 -1.049 631 H GLY 96 H GLY 96 1.796 0.703 0.071 632 1HA GLY 96 1HA GLY 96 4.365 1.015 -1.349 633 2HA GLY 96 2HA GLY 96 3.480 2.410 -0.763 634 H LEU 97 H LEU 97 5.691 2.614 0.420 635 HA LEU 97 HA LEU 97 5.656 0.976 2.852 636 1HB LEU 97 1HB LEU 97 7.724 1.923 1.082 637 2HB LEU 97 2HB LEU 97 8.028 2.449 2.748 638 HG LEU 97 HG LEU 97 9.156 0.447 2.658 639 1HD1 LEU 97 1HD1 LEU 97 7.299 0.528 4.441 640 2HD1 LEU 97 2HD1 LEU 97 6.481 -0.696 3.440 641 3HD1 LEU 97 3HD1 LEU 97 8.094 -1.032 4.116 642 1HD2 LEU 97 1HD2 LEU 97 8.862 -0.514 0.621 643 2HD2 LEU 97 2HD2 LEU 97 7.872 -1.633 1.590 644 3HD2 LEU 97 3HD2 LEU 97 7.091 -0.331 0.659 645 H SER 98 H SER 98 5.903 2.026 4.925 646 HA SER 98 HA SER 98 5.301 4.871 4.817 647 1HB SER 98 1HB SER 98 3.198 4.242 5.442 648 2HB SER 98 2HB SER 98 3.727 2.669 6.063 649 HG SER 98 HG SER 98 3.198 4.985 7.423 650 H ASP 99 H ASP 99 7.050 5.867 5.750 651 HA ASP 99 HA ASP 99 8.316 4.445 7.952 652 1HB ASP 99 1HB ASP 99 10.007 6.529 7.330 653 2HB ASP 99 2HB ASP 99 10.158 4.889 6.679 654 HD2 ASP 99 HD2 ASP 99 10.170 6.561 3.660 655 H ALA 100 H ALA 100 9.621 6.464 9.302 656 HA ALA 100 HA ALA 100 7.410 8.013 10.356 657 1HB ALA 100 1HB ALA 100 10.085 8.355 11.546 658 2HB ALA 100 2HB ALA 100 8.548 7.881 12.308 659 3HB ALA 100 3HB ALA 100 9.546 6.660 11.482 660 H ALA 101 H ALA 101 8.802 8.490 7.636 661 HA ALA 101 HA ALA 101 8.675 11.270 7.698 662 1HB ALA 101 1HB ALA 101 10.843 12.013 7.892 663 2HB ALA 101 2HB ALA 101 10.960 10.575 8.935 664 3HB ALA 101 3HB ALA 101 11.533 10.504 7.251 665 H GLY 102 H GLY 102 7.393 9.515 6.122 666 1HA GLY 102 1HA GLY 102 8.152 10.253 3.520 667 2HA GLY 102 2HA GLY 102 8.717 8.622 3.820 668 H ASN 103 H ASN 103 6.542 7.931 5.736 669 HA ASN 103 HA ASN 103 4.844 6.648 4.186 670 1HB ASN 103 1HB ASN 103 3.085 7.202 6.123 671 2HB ASN 103 2HB ASN 103 4.517 6.223 6.473 672 1HD2 ASN 103 1HD2 ASN 103 3.903 7.034 8.659 673 2HD2 ASN 103 2HD2 ASN 103 4.602 8.519 9.211 674 H GLY 104 H GLY 104 2.389 7.104 3.761 675 1HA GLY 104 1HA GLY 104 0.803 9.056 3.714 676 2HA GLY 104 2HA GLY 104 2.082 9.907 2.870 677 HA PRO 105 HA PRO 105 -0.402 7.810 -0.298 678 1HB PRO 105 1HB PRO 105 -0.963 10.005 -1.823 679 2HB PRO 105 2HB PRO 105 -2.053 9.389 -0.583 680 1HG PRO 105 1HG PRO 105 -0.247 11.721 -0.531 681 2HG PRO 105 2HG PRO 105 -1.676 11.385 0.511 682 1HD PRO 105 1HD PRO 105 1.101 11.171 1.174 683 2HD PRO 105 2HD PRO 105 -0.264 10.674 2.181 684 H GLU 106 H GLU 106 1.024 6.547 -1.334 685 HA GLU 106 HA GLU 106 2.183 7.533 -3.612 686 1HB GLU 106 1HB GLU 106 3.818 7.898 -1.167 687 2HB GLU 106 2HB GLU 106 4.673 7.131 -2.517 688 1HG GLU 106 1HG GLU 106 3.204 9.252 -3.667 689 2HG GLU 106 2HG GLU 106 3.862 9.921 -2.168 690 HE2 GLU 106 HE2 GLU 106 6.975 10.148 -3.576 691 H GLY 107 H GLY 107 0.689 5.261 -2.668 692 1HA GLY 107 1HA GLY 107 2.474 3.016 -2.397 693 2HA GLY 107 2HA GLY 107 0.726 2.992 -2.525 694 H VAL 108 H VAL 108 2.002 1.051 -3.921 695 HA VAL 108 HA VAL 108 2.339 2.049 -6.644 696 HB VAL 108 HB VAL 108 3.951 0.473 -5.347 697 1HG1 VAL 108 1HG1 VAL 108 3.508 -1.884 -5.514 698 2HG1 VAL 108 2HG1 VAL 108 2.126 -1.120 -4.693 699 3HG1 VAL 108 3HG1 VAL 108 1.995 -1.590 -6.404 700 1HG2 VAL 108 1HG2 VAL 108 4.049 -0.907 -7.702 701 2HG2 VAL 108 2HG2 VAL 108 3.109 0.527 -8.179 702 3HG2 VAL 108 3HG2 VAL 108 4.722 0.722 -7.454 703 H ALA 109 H ALA 109 0.496 2.200 -7.814 704 HA ALA 109 HA ALA 109 -1.888 0.951 -7.114 705 1HB ALA 109 1HB ALA 109 -1.908 1.482 -9.902 706 2HB ALA 109 2HB ALA 109 -2.522 2.520 -8.592 707 3HB ALA 109 3HB ALA 109 -0.848 2.708 -9.166 708 H ILE 110 H ILE 110 -2.409 -1.172 -7.150 709 HA ILE 110 HA ILE 110 -1.128 -2.801 -9.236 710 HB ILE 110 HB ILE 110 -1.612 -3.316 -6.329 711 1HG1 ILE 110 1HG1 ILE 110 0.709 -4.144 -8.061 712 2HG1 ILE 110 2HG1 ILE 110 0.601 -2.523 -7.352 713 1HG2 ILE 110 1HG2 ILE 110 -0.971 -5.784 -7.081 714 2HG2 ILE 110 2HG2 ILE 110 -2.660 -5.236 -6.960 715 3HG2 ILE 110 3HG2 ILE 110 -1.855 -5.294 -8.546 716 1HD1 ILE 110 1HD1 ILE 110 0.008 -4.227 -5.210 717 2HD1 ILE 110 2HD1 ILE 110 1.287 -5.094 -6.095 718 3HD1 ILE 110 3HD1 ILE 110 1.575 -3.437 -5.513 719 H SER 111 H SER 111 -2.441 -4.495 -10.177 720 HA SER 111 HA SER 111 -5.168 -3.654 -10.324 721 1HB SER 111 1HB SER 111 -3.321 -4.915 -12.047 722 2HB SER 111 2HB SER 111 -4.581 -6.128 -11.755 723 HG SER 111 HG SER 111 -4.950 -3.418 -12.712 724 H PHE 112 H PHE 112 -6.195 -4.221 -8.360 725 HA PHE 112 HA PHE 112 -5.849 -6.896 -7.342 726 1HB PHE 112 1HB PHE 112 -7.670 -4.536 -6.590 727 2HB PHE 112 2HB PHE 112 -7.409 -5.958 -5.575 728 HD1 PHE 112 1HD PHE 112 -5.476 -6.127 -4.196 729 HD2 PHE 112 2HD PHE 112 -5.825 -2.928 -6.962 730 HE1 PHE 112 1HE PHE 112 -3.530 -4.974 -3.108 731 HE2 PHE 112 2HE PHE 112 -3.879 -1.774 -5.874 732 HZ PHE 112 HZ PHE 112 -2.755 -2.811 -3.960 733 H ASN 113 H ASN 113 -7.304 -6.078 -10.030 734 HA ASN 113 HA ASN 113 -9.992 -6.679 -9.624 735 1HB ASN 113 1HB ASN 113 -8.832 -5.579 -11.665 736 2HB ASN 113 2HB ASN 113 -8.426 -7.219 -12.191 737 1HD2 ASN 113 1HD2 ASN 113 -9.884 -8.401 -13.225 738 2HD2 ASN 113 2HD2 ASN 113 -11.540 -7.974 -13.501 Start of MODEL 34 1 H ALA 1 H ALA 1 6.336 3.231 -7.450 2 HA ALA 1 HA ALA 1 5.494 3.133 -10.263 3 1HB ALA 1 1HB ALA 1 3.590 4.630 -9.546 4 2HB ALA 1 2HB ALA 1 3.498 2.970 -8.910 5 3HB ALA 1 3HB ALA 1 4.042 4.296 -7.857 6 H ALA 2 H ALA 2 5.359 5.774 -7.817 7 HA ALA 2 HA ALA 2 6.932 7.409 -9.614 8 1HB ALA 2 1HB ALA 2 5.514 8.953 -8.809 9 2HB ALA 2 2HB ALA 2 4.866 7.784 -7.632 10 3HB ALA 2 3HB ALA 2 6.279 8.783 -7.210 11 HA PRO 3 HA PRO 3 9.680 7.324 -5.784 12 1HB PRO 3 1HB PRO 3 8.958 5.898 -3.568 13 2HB PRO 3 2HB PRO 3 8.634 7.620 -3.755 14 1HG PRO 3 1HG PRO 3 6.818 5.309 -4.013 15 2HG PRO 3 2HG PRO 3 6.402 7.038 -3.726 16 1HD PRO 3 1HD PRO 3 6.164 5.527 -6.146 17 2HD PRO 3 2HD PRO 3 5.893 7.263 -5.957 18 H THR 4 H THR 4 10.356 5.120 -3.939 19 HA THR 4 HA THR 4 11.356 3.346 -6.048 20 HB THR 4 HB THR 4 12.286 3.452 -3.152 21 HG1 THR 4 1HG THR 4 13.581 5.263 -3.862 22 1HG2 THR 4 1HG2 THR 4 13.203 2.243 -5.646 23 2HG2 THR 4 2HG2 THR 4 14.400 3.430 -5.075 24 3HG2 THR 4 3HG2 THR 4 13.902 2.088 -4.017 25 H ALA 5 H ALA 5 8.790 3.565 -3.888 26 HA ALA 5 HA ALA 5 8.796 0.894 -2.920 27 1HB ALA 5 1HB ALA 5 7.136 1.732 -1.655 28 2HB ALA 5 2HB ALA 5 7.374 3.290 -2.481 29 3HB ALA 5 3HB ALA 5 6.170 2.131 -3.096 30 H THR 6 H THR 6 8.174 -0.961 -3.928 31 HA THR 6 HA THR 6 6.261 -0.858 -6.080 32 HB THR 6 HB THR 6 7.841 -1.864 -7.734 33 HG1 THR 6 1HG THR 6 9.776 -1.163 -5.643 34 1HG2 THR 6 1HG2 THR 6 9.227 0.078 -8.209 35 2HG2 THR 6 2HG2 THR 6 7.703 0.702 -7.535 36 3HG2 THR 6 3HG2 THR 6 9.157 0.612 -6.513 37 H VAL 7 H VAL 7 5.446 -2.959 -6.667 38 HA VAL 7 HA VAL 7 6.058 -4.932 -4.577 39 HB VAL 7 HB VAL 7 3.497 -4.764 -6.147 40 1HG1 VAL 7 1HG1 VAL 7 3.283 -5.628 -3.398 41 2HG1 VAL 7 2HG1 VAL 7 2.878 -6.503 -4.893 42 3HG1 VAL 7 3HG1 VAL 7 4.534 -6.571 -4.243 43 1HG2 VAL 7 1HG2 VAL 7 2.962 -2.834 -5.164 44 2HG2 VAL 7 2HG2 VAL 7 3.014 -3.678 -3.598 45 3HG2 VAL 7 3HG2 VAL 7 4.463 -2.843 -4.207 46 H THR 8 H THR 8 6.663 -6.988 -5.187 47 HA THR 8 HA THR 8 7.941 -7.549 -7.435 48 HB THR 8 HB THR 8 6.423 -9.084 -5.401 49 HG1 THR 8 1HG THR 8 8.585 -9.475 -5.150 50 1HG2 THR 8 1HG2 THR 8 5.463 -10.313 -7.270 51 2HG2 THR 8 2HG2 THR 8 6.996 -10.243 -8.173 52 3HG2 THR 8 3HG2 THR 8 6.868 -11.252 -6.714 53 HA PRO 9 HA PRO 9 4.045 -8.599 -9.845 54 1HB PRO 9 1HB PRO 9 1.580 -8.062 -8.799 55 2HB PRO 9 2HB PRO 9 2.343 -9.647 -8.702 56 1HG PRO 9 1HG PRO 9 2.039 -7.558 -6.639 57 2HG PRO 9 2HG PRO 9 2.370 -9.315 -6.420 58 1HD PRO 9 1HD PRO 9 4.188 -7.118 -6.171 59 2HD PRO 9 2HD PRO 9 4.597 -8.837 -6.103 60 H SER 10 H SER 10 1.544 -7.097 -10.165 61 HA SER 10 HA SER 10 1.988 -4.419 -9.986 62 1HB SER 10 1HB SER 10 3.696 -5.536 -11.940 63 2HB SER 10 2HB SER 10 2.402 -4.740 -12.854 64 HG SER 10 HG SER 10 4.214 -3.318 -12.360 65 H SER 11 H SER 11 0.606 -7.264 -11.495 66 HA SER 11 HA SER 11 -1.936 -6.128 -11.490 67 1HB SER 11 1HB SER 11 -2.412 -6.191 -13.925 68 2HB SER 11 2HB SER 11 -1.196 -4.964 -13.521 69 HG SER 11 HG SER 11 -0.969 -7.346 -15.024 70 H GLY 12 H GLY 12 -3.578 -7.755 -12.520 71 1HA GLY 12 1HA GLY 12 -4.368 -9.851 -12.689 72 2HA GLY 12 2HA GLY 12 -2.791 -10.334 -13.280 73 H LEU 13 H LEU 13 -3.444 -8.833 -10.074 74 HA LEU 13 HA LEU 13 -2.272 -11.196 -8.847 75 1HB LEU 13 1HB LEU 13 -3.023 -8.674 -7.425 76 2HB LEU 13 2HB LEU 13 -1.770 -9.860 -7.020 77 HG LEU 13 HG LEU 13 -1.734 -7.700 -9.126 78 1HD1 LEU 13 1HD1 LEU 13 -1.058 -7.186 -6.772 79 2HD1 LEU 13 2HD1 LEU 13 0.269 -8.358 -6.955 80 3HD1 LEU 13 3HD1 LEU 13 0.212 -6.910 -7.987 81 1HD2 LEU 13 1HD2 LEU 13 0.215 -8.582 -10.127 82 2HD2 LEU 13 2HD2 LEU 13 0.387 -9.837 -8.877 83 3HD2 LEU 13 3HD2 LEU 13 -0.947 -9.927 -10.051 84 H SER 14 H SER 14 -3.682 -10.413 -6.251 85 HA SER 14 HA SER 14 -6.418 -10.960 -6.841 86 1HB SER 14 1HB SER 14 -5.025 -13.200 -6.798 87 2HB SER 14 2HB SER 14 -5.082 -12.985 -5.040 88 HG SER 14 HG SER 14 -6.850 -14.295 -5.919 89 H ASP 15 H ASP 15 -7.788 -10.698 -4.900 90 HA ASP 15 HA ASP 15 -6.988 -8.677 -3.285 91 1HB ASP 15 1HB ASP 15 -9.327 -9.367 -3.578 92 2HB ASP 15 2HB ASP 15 -9.019 -10.890 -2.729 93 HD2 ASP 15 HD2 ASP 15 -10.350 -9.170 -0.052 94 H GLY 16 H GLY 16 -5.225 -8.753 -1.870 95 1HA GLY 16 1HA GLY 16 -4.237 -9.356 0.119 96 2HA GLY 16 2HA GLY 16 -5.186 -10.827 0.172 97 H THR 17 H THR 17 -3.286 -9.671 -2.658 98 HA THR 17 HA THR 17 -1.990 -12.201 -2.872 99 HB THR 17 HB THR 17 -2.222 -9.625 -4.372 100 HG1 THR 17 1HG THR 17 -3.264 -11.838 -4.682 101 1HG2 THR 17 1HG2 THR 17 0.330 -11.187 -4.220 102 2HG2 THR 17 2HG2 THR 17 -0.296 -10.902 -5.861 103 3HG2 THR 17 3HG2 THR 17 0.057 -9.523 -4.792 104 H VAL 18 H VAL 18 -0.981 -12.445 -0.786 105 HA VAL 18 HA VAL 18 0.915 -10.586 0.139 106 HB VAL 18 HB VAL 18 0.889 -13.539 0.732 107 1HG1 VAL 18 1HG1 VAL 18 2.139 -13.031 2.532 108 2HG1 VAL 18 2HG1 VAL 18 2.466 -11.498 1.689 109 3HG1 VAL 18 3HG1 VAL 18 1.176 -11.584 2.913 110 1HG2 VAL 18 1HG2 VAL 18 -0.729 -12.376 2.654 111 2HG2 VAL 18 2HG2 VAL 18 -1.263 -11.593 1.148 112 3HG2 VAL 18 3HG2 VAL 18 -1.279 -13.369 1.283 113 H VAL 19 H VAL 19 2.333 -9.981 -1.542 114 HA VAL 19 HA VAL 19 4.042 -12.164 -2.514 115 HB VAL 19 HB VAL 19 4.568 -10.356 -4.304 116 1HG1 VAL 19 1HG1 VAL 19 3.575 -12.343 -5.040 117 2HG1 VAL 19 2HG1 VAL 19 2.080 -12.054 -4.119 118 3HG1 VAL 19 3HG1 VAL 19 2.431 -11.088 -5.571 119 1HG2 VAL 19 1HG2 VAL 19 3.156 -8.588 -4.608 120 2HG2 VAL 19 2HG2 VAL 19 1.760 -9.432 -3.895 121 3HG2 VAL 19 3HG2 VAL 19 3.014 -8.738 -2.840 122 H LYS 20 H LYS 20 6.222 -10.712 -3.403 123 HA LYS 20 HA LYS 20 7.245 -9.700 -0.856 124 1HB LYS 20 1HB LYS 20 8.425 -11.145 -3.179 125 2HB LYS 20 2HB LYS 20 9.469 -10.037 -2.274 126 1HG LYS 20 1HG LYS 20 9.359 -11.312 -0.338 127 2HG LYS 20 2HG LYS 20 7.757 -11.963 -0.715 128 1HD LYS 20 1HD LYS 20 8.615 -13.694 -1.951 129 2HD LYS 20 2HD LYS 20 9.950 -12.724 -2.597 130 1HE LYS 20 1HE LYS 20 10.920 -12.821 -0.192 131 2HE LYS 20 2HE LYS 20 9.749 -14.113 0.103 132 1HZ LYS 20 1HZ LYS 20 12.143 -14.528 -0.881 133 2HZ LYS 20 2HZ LYS 20 10.873 -15.492 -1.235 134 3HZ LYS 20 3HZ LYS 20 11.338 -14.334 -2.288 135 H VAL 21 H VAL 21 7.360 -7.542 -0.596 136 HA VAL 21 HA VAL 21 7.435 -5.918 -3.034 137 HB VAL 21 HB VAL 21 6.369 -5.534 -0.262 138 1HG1 VAL 21 1HG1 VAL 21 5.992 -3.065 -1.150 139 2HG1 VAL 21 2HG1 VAL 21 7.479 -3.521 -0.284 140 3HG1 VAL 21 3HG1 VAL 21 7.481 -3.412 -2.061 141 1HG2 VAL 21 1HG2 VAL 21 5.026 -6.360 -2.302 142 2HG2 VAL 21 2HG2 VAL 21 4.340 -5.033 -1.334 143 3HG2 VAL 21 3HG2 VAL 21 5.137 -4.681 -2.885 144 H ALA 22 H ALA 22 8.998 -4.254 -3.275 145 HA ALA 22 HA ALA 22 11.078 -4.150 -1.232 146 1HB ALA 22 1HB ALA 22 12.834 -4.626 -2.766 147 2HB ALA 22 2HB ALA 22 11.613 -5.891 -3.046 148 3HB ALA 22 3HB ALA 22 11.745 -4.517 -4.170 149 H GLY 23 H GLY 23 12.514 -2.223 -1.550 150 1HA GLY 23 1HA GLY 23 12.942 -0.101 -2.286 151 2HA GLY 23 2HA GLY 23 11.592 -0.197 -3.402 152 H ALA 24 H ALA 24 11.226 2.083 -2.547 153 HA ALA 24 HA ALA 24 9.048 2.592 -1.332 154 1HB ALA 24 1HB ALA 24 10.911 1.620 0.859 155 2HB ALA 24 2HB ALA 24 9.517 2.675 1.193 156 3HB ALA 24 3HB ALA 24 9.262 1.065 0.481 157 H GLY 25 H GLY 25 10.626 3.973 1.182 158 1HA GLY 25 1HA GLY 25 11.023 6.445 -0.237 159 2HA GLY 25 2HA GLY 25 11.198 6.151 1.482 160 H LEU 26 H LEU 26 12.898 3.700 -0.115 161 HA LEU 26 HA LEU 26 15.087 3.257 -0.051 162 1HB LEU 26 1HB LEU 26 14.887 3.943 -2.268 163 2HB LEU 26 2HB LEU 26 14.848 5.664 -1.839 164 HG LEU 26 HG LEU 26 17.317 4.774 -0.901 165 1HD1 LEU 26 1HD1 LEU 26 18.290 3.768 -3.038 166 2HD1 LEU 26 2HD1 LEU 26 17.315 2.699 -2.001 167 3HD1 LEU 26 3HD1 LEU 26 16.610 3.384 -3.485 168 1HD2 LEU 26 1HD2 LEU 26 17.219 6.899 -1.807 169 2HD2 LEU 26 2HD2 LEU 26 18.126 6.001 -3.047 170 3HD2 LEU 26 3HD2 LEU 26 16.397 6.349 -3.287 171 H GLN 27 H GLN 27 14.920 3.831 2.372 172 HA GLN 27 HA GLN 27 16.226 6.306 3.013 173 1HB GLN 27 1HB GLN 27 14.817 4.134 4.528 174 2HB GLN 27 2HB GLN 27 15.981 5.132 5.417 175 1HG GLN 27 1HG GLN 27 14.048 6.575 3.653 176 2HG GLN 27 2HG GLN 27 13.361 5.807 5.091 177 1HE2 GLN 27 1HE2 GLN 27 12.961 8.227 5.353 178 2HE2 GLN 27 2HE2 GLN 27 14.122 9.117 6.279 179 H ALA 28 H ALA 28 16.896 3.447 4.979 180 HA ALA 28 HA ALA 28 19.114 2.370 3.912 181 1HB ALA 28 1HB ALA 28 20.535 4.130 3.683 182 2HB ALA 28 2HB ALA 28 19.628 5.141 4.834 183 3HB ALA 28 3HB ALA 28 20.781 3.925 5.434 184 H GLY 29 H GLY 29 17.987 0.740 5.163 185 1HA GLY 29 1HA GLY 29 17.847 -0.626 6.946 186 2HA GLY 29 2HA GLY 29 19.135 0.289 7.704 187 H THR 30 H THR 30 16.143 1.875 6.592 188 HA THR 30 HA THR 30 15.484 2.382 9.412 189 HB THR 30 HB THR 30 14.829 3.887 6.823 190 HG1 THR 30 1HG THR 30 16.598 5.095 7.522 191 1HG2 THR 30 1HG2 THR 30 14.022 5.676 8.305 192 2HG2 THR 30 2HG2 THR 30 13.099 4.197 8.665 193 3HG2 THR 30 3HG2 THR 30 14.418 4.709 9.745 194 H ALA 31 H ALA 31 13.242 2.376 10.082 195 HA ALA 31 HA ALA 31 11.928 0.058 9.215 196 1HB ALA 31 1HB ALA 31 10.121 0.881 10.723 197 2HB ALA 31 2HB ALA 31 11.728 0.951 11.483 198 3HB ALA 31 3HB ALA 31 10.973 2.438 10.859 199 H TYR 32 H TYR 32 9.691 -0.050 8.294 200 HA TYR 32 HA TYR 32 8.814 2.241 6.788 201 1HB TYR 32 1HB TYR 32 10.239 -0.212 5.709 202 2HB TYR 32 2HB TYR 32 8.888 0.404 4.752 203 HD1 TYR 32 1HD TYR 32 8.983 2.904 4.066 204 HD2 TYR 32 2HD TYR 32 12.373 0.711 5.481 205 HE1 TYR 32 1HE TYR 32 10.540 4.612 3.007 206 HE2 TYR 32 2HE TYR 32 13.919 2.427 4.418 207 HH TYR 32 HH TYR 32 12.579 5.236 2.697 208 H ASP 33 H ASP 33 7.071 1.741 8.413 209 HA ASP 33 HA ASP 33 5.735 -0.610 8.533 210 1HB ASP 33 1HB ASP 33 5.267 2.173 9.216 211 2HB ASP 33 2HB ASP 33 3.759 1.452 8.633 212 HD2 ASP 33 HD2 ASP 33 5.317 -0.006 12.002 213 H VAL 34 H VAL 34 3.940 -1.526 7.341 214 HA VAL 34 HA VAL 34 3.856 -0.871 4.598 215 HB VAL 34 HB VAL 34 2.409 -2.735 6.443 216 1HG1 VAL 34 1HG1 VAL 34 0.559 -2.331 5.134 217 2HG1 VAL 34 2HG1 VAL 34 1.525 -1.878 3.709 218 3HG1 VAL 34 3HG1 VAL 34 1.361 -3.591 4.166 219 1HG2 VAL 34 1HG2 VAL 34 4.362 -3.756 5.821 220 2HG2 VAL 34 2HG2 VAL 34 3.325 -4.279 4.471 221 3HG2 VAL 34 3HG2 VAL 34 4.442 -2.909 4.257 222 H GLY 35 H GLY 35 2.116 0.024 3.351 223 1HA GLY 35 1HA GLY 35 0.329 1.755 4.955 224 2HA GLY 35 2HA GLY 35 1.039 2.207 3.418 225 H GLN 36 H GLN 36 0.275 1.231 1.431 226 HA GLN 36 HA GLN 36 -1.166 0.307 0.089 227 1HB GLN 36 1HB GLN 36 -1.054 -1.826 1.032 228 2HB GLN 36 2HB GLN 36 -1.790 -1.316 2.561 229 1HG GLN 36 1HG GLN 36 -3.739 -2.125 1.761 230 2HG GLN 36 2HG GLN 36 -3.756 -0.770 0.622 231 1HE2 GLN 36 1HE2 GLN 36 -3.657 -1.169 -1.467 232 2HE2 GLN 36 2HE2 GLN 36 -3.285 -2.687 -2.215 233 H CYS 37 H CYS 37 -2.487 1.947 -0.616 234 HA CYS 37 HA CYS 37 -4.858 2.453 1.020 235 1HB CYS 37 1HB CYS 37 -3.362 4.583 -0.492 236 2HB CYS 37 2HB CYS 37 -4.765 4.801 0.570 237 H ALA 38 H ALA 38 -6.451 3.855 -0.576 238 HA ALA 38 HA ALA 38 -6.210 2.883 -3.307 239 1HB ALA 38 1HB ALA 38 -7.494 1.215 -1.770 240 2HB ALA 38 2HB ALA 38 -8.788 2.437 -1.789 241 3HB ALA 38 3HB ALA 38 -8.241 1.698 -3.312 242 H TRP 39 H TRP 39 -6.641 4.558 -4.653 243 HA TRP 39 HA TRP 39 -7.628 6.997 -3.569 244 1HB TRP 39 1HB TRP 39 -6.741 7.912 -5.375 245 2HB TRP 39 2HB TRP 39 -6.011 6.330 -5.653 246 HD1 TRP 39 HD TRP 39 -7.662 4.663 -7.350 247 HE1 TRP 39 1HE TRP 39 -8.959 5.277 -9.565 248 HE3 TRP 39 3HE TRP 39 -7.813 9.674 -6.497 249 HZ2 TRP 39 2HZ TRP 39 -9.881 7.734 -10.686 250 HZ3 TRP 39 3HZ TRP 39 -8.931 11.109 -8.201 251 HH2 TRP 39 HH TRP 39 -9.942 10.215 -10.239 252 H VAL 40 H VAL 40 -9.732 7.724 -3.520 253 HA VAL 40 HA VAL 40 -11.697 6.052 -4.926 254 HB VAL 40 HB VAL 40 -11.957 7.673 -2.385 255 1HG1 VAL 40 1HG1 VAL 40 -14.171 6.172 -2.384 256 2HG1 VAL 40 2HG1 VAL 40 -14.111 7.781 -3.142 257 3HG1 VAL 40 3HG1 VAL 40 -13.954 6.320 -4.145 258 1HG2 VAL 40 1HG2 VAL 40 -12.110 5.571 -1.222 259 2HG2 VAL 40 2HG2 VAL 40 -12.062 4.662 -2.751 260 3HG2 VAL 40 3HG2 VAL 40 -10.625 5.558 -2.202 261 H ASP 41 H ASP 41 -12.703 9.036 -3.417 262 HA ASP 41 HA ASP 41 -13.750 10.022 -5.749 263 1HB ASP 41 1HB ASP 41 -13.876 10.671 -3.094 264 2HB ASP 41 2HB ASP 41 -12.900 12.022 -3.694 265 HD2 ASP 41 HD2 ASP 41 -16.382 11.901 -5.551 266 H THR 42 H THR 42 -12.934 12.800 -5.819 267 HA THR 42 HA THR 42 -10.566 12.579 -7.390 268 HB THR 42 HB THR 42 -12.545 14.712 -6.562 269 HG1 THR 42 1HG THR 42 -11.277 13.598 -8.962 270 1HG2 THR 42 1HG2 THR 42 -11.204 16.343 -7.957 271 2HG2 THR 42 2HG2 THR 42 -10.403 15.940 -6.420 272 3HG2 THR 42 3HG2 THR 42 -9.849 15.190 -7.936 273 H GLY 43 H GLY 43 -11.330 14.066 -4.182 274 1HA GLY 43 1HA GLY 43 -8.410 14.200 -3.717 275 2HA GLY 43 2HA GLY 43 -9.581 15.326 -3.059 276 H VAL 44 H VAL 44 -10.175 11.804 -3.334 277 HA VAL 44 HA VAL 44 -9.858 11.610 -0.422 278 HB VAL 44 HB VAL 44 -12.070 10.370 -2.067 279 1HG1 VAL 44 1HG1 VAL 44 -11.671 10.545 0.939 280 2HG1 VAL 44 2HG1 VAL 44 -13.060 9.810 0.103 281 3HG1 VAL 44 3HG1 VAL 44 -11.440 9.090 -0.061 282 1HG2 VAL 44 1HG2 VAL 44 -11.888 13.038 -1.457 283 2HG2 VAL 44 2HG2 VAL 44 -13.408 12.147 -1.706 284 3HG2 VAL 44 3HG2 VAL 44 -12.788 12.405 -0.058 285 H LEU 45 H LEU 45 -8.717 9.840 0.280 286 HA LEU 45 HA LEU 45 -8.302 7.678 -1.634 287 1HB LEU 45 1HB LEU 45 -6.477 9.487 -1.695 288 2HB LEU 45 2HB LEU 45 -5.972 8.826 -0.130 289 HG LEU 45 HG LEU 45 -6.277 6.655 -1.956 290 1HD1 LEU 45 1HD1 LEU 45 -5.134 7.177 -3.863 291 2HD1 LEU 45 2HD1 LEU 45 -5.951 8.730 -3.564 292 3HD1 LEU 45 3HD1 LEU 45 -4.245 8.519 -3.106 293 1HD2 LEU 45 1HD2 LEU 45 -4.808 6.727 0.014 294 2HD2 LEU 45 2HD2 LEU 45 -3.925 6.278 -1.464 295 3HD2 LEU 45 3HD2 LEU 45 -3.777 7.925 -0.805 296 H ALA 46 H ALA 46 -9.241 6.004 -0.578 297 HA ALA 46 HA ALA 46 -9.333 5.925 2.265 298 1HB ALA 46 1HB ALA 46 -9.869 3.430 0.782 299 2HB ALA 46 2HB ALA 46 -10.919 4.353 1.884 300 3HB ALA 46 3HB ALA 46 -10.778 4.836 0.176 301 H CYS 47 H CYS 47 -7.378 5.739 3.311 302 HA CYS 47 HA CYS 47 -5.337 4.065 2.215 303 1HB CYS 47 1HB CYS 47 -5.557 6.133 4.202 304 2HB CYS 47 2HB CYS 47 -4.659 4.749 4.851 305 H ASN 48 H ASN 48 -4.316 2.315 3.681 306 HA ASN 48 HA ASN 48 -6.488 0.914 5.028 307 1HB ASN 48 1HB ASN 48 -5.422 -0.111 2.908 308 2HB ASN 48 2HB ASN 48 -3.960 -0.356 3.874 309 1HD2 ASN 48 1HD2 ASN 48 -5.763 -2.269 2.588 310 2HD2 ASN 48 2HD2 ASN 48 -6.338 -3.341 3.821 311 HA PRO 49 HA PRO 49 -3.181 1.880 8.056 312 1HB PRO 49 1HB PRO 49 -4.742 3.089 9.946 313 2HB PRO 49 2HB PRO 49 -3.858 3.982 8.709 314 1HG PRO 49 1HG PRO 49 -6.729 3.329 8.890 315 2HG PRO 49 2HG PRO 49 -5.929 4.616 7.918 316 1HD PRO 49 1HD PRO 49 -7.002 2.115 7.025 317 2HD PRO 49 2HD PRO 49 -6.083 3.276 6.055 318 H ALA 50 H ALA 50 -5.468 -0.268 7.648 319 HA ALA 50 HA ALA 50 -5.329 -1.285 10.386 320 1HB ALA 50 1HB ALA 50 -7.094 -1.896 7.990 321 2HB ALA 50 2HB ALA 50 -7.104 -2.874 9.478 322 3HB ALA 50 3HB ALA 50 -7.565 -1.155 9.539 323 H ASP 51 H ASP 51 -3.621 -1.414 7.492 324 HA ASP 51 HA ASP 51 -3.237 -4.053 7.003 325 1HB ASP 51 1HB ASP 51 -1.181 -3.416 5.940 326 2HB ASP 51 2HB ASP 51 -2.290 -2.050 5.743 327 HD2 ASP 51 HD2 ASP 51 1.091 -1.550 7.682 328 H PHE 52 H PHE 52 -1.415 -1.838 9.250 329 HA PHE 52 HA PHE 52 -0.293 -2.224 11.111 330 1HB PHE 52 1HB PHE 52 -1.306 -5.110 10.825 331 2HB PHE 52 2HB PHE 52 -0.738 -4.366 12.322 332 HD1 PHE 52 1HD PHE 52 -2.184 -1.701 11.937 333 HD2 PHE 52 2HD PHE 52 -3.472 -5.725 11.541 334 HE1 PHE 52 1HE PHE 52 -4.536 -1.001 12.466 335 HE2 PHE 52 2HE PHE 52 -5.823 -5.024 12.070 336 HZ PHE 52 HZ PHE 52 -6.328 -2.671 12.526 337 H SER 53 H SER 53 0.225 -3.876 8.185 338 HA SER 53 HA SER 53 2.340 -5.532 8.902 339 1HB SER 53 1HB SER 53 1.332 -4.292 6.358 340 2HB SER 53 2HB SER 53 2.931 -5.055 6.337 341 HG SER 53 HG SER 53 0.380 -6.250 6.988 342 H SER 54 H SER 54 4.691 -5.193 8.293 343 HA SER 54 HA SER 54 5.470 -2.437 8.079 344 1HB SER 54 1HB SER 54 7.038 -2.611 10.016 345 2HB SER 54 2HB SER 54 5.335 -2.675 10.501 346 HG SER 54 HG SER 54 6.114 -5.209 10.036 347 H VAL 55 H VAL 55 7.776 -2.222 7.446 348 HA VAL 55 HA VAL 55 9.138 -4.716 6.845 349 HB VAL 55 HB VAL 55 7.696 -4.243 4.902 350 1HG1 VAL 55 1HG1 VAL 55 8.723 -2.203 3.487 351 2HG1 VAL 55 2HG1 VAL 55 7.348 -2.011 4.600 352 3HG1 VAL 55 3HG1 VAL 55 8.988 -1.568 5.128 353 1HG2 VAL 55 1HG2 VAL 55 9.282 -4.874 3.369 354 2HG2 VAL 55 2HG2 VAL 55 10.468 -3.671 3.931 355 3HG2 VAL 55 3HG2 VAL 55 10.193 -5.156 4.872 356 H THR 56 H THR 56 11.411 -4.120 5.861 357 HA THR 56 HA THR 56 12.325 -1.581 7.019 358 HB THR 56 HB THR 56 13.115 -4.410 7.693 359 HG1 THR 56 1HG THR 56 12.050 -3.095 9.255 360 1HG2 THR 56 1HG2 THR 56 15.296 -3.785 6.971 361 2HG2 THR 56 2HG2 THR 56 15.024 -2.067 7.346 362 3HG2 THR 56 3HG2 THR 56 15.276 -3.237 8.664 363 H ALA 57 H ALA 57 14.184 -0.655 6.037 364 HA ALA 57 HA ALA 57 14.264 -1.089 3.254 365 1HB ALA 57 1HB ALA 57 15.350 0.748 5.247 366 2HB ALA 57 2HB ALA 57 16.551 0.359 3.993 367 3HB ALA 57 3HB ALA 57 14.969 1.031 3.531 368 H ASP 58 H ASP 58 16.653 -1.274 2.214 369 HA ASP 58 HA ASP 58 18.000 -3.453 3.587 370 1HB ASP 58 1HB ASP 58 18.297 -4.598 1.400 371 2HB ASP 58 2HB ASP 58 16.590 -4.471 1.850 372 HD2 ASP 58 HD2 ASP 58 16.685 -3.564 -1.581 373 H ALA 59 H ALA 59 20.287 -3.269 3.445 374 HA ALA 59 HA ALA 59 21.784 -1.295 3.293 375 1HB ALA 59 1HB ALA 59 22.079 -3.844 1.742 376 2HB ALA 59 2HB ALA 59 23.293 -2.568 1.485 377 3HB ALA 59 3HB ALA 59 23.028 -3.228 3.116 378 H ASN 60 H ASN 60 20.455 0.486 2.432 379 HA ASN 60 HA ASN 60 21.390 1.759 0.387 380 1HB ASN 60 1HB ASN 60 21.076 0.123 -1.303 381 2HB ASN 60 2HB ASN 60 19.488 -0.357 -0.687 382 1HD2 ASN 60 1HD2 ASN 60 18.384 -0.071 -2.555 383 2HD2 ASN 60 2HD2 ASN 60 18.091 1.463 -3.304 384 H GLY 61 H GLY 61 18.367 0.433 1.783 385 1HA GLY 61 1HA GLY 61 17.022 2.004 3.054 386 2HA GLY 61 2HA GLY 61 17.204 3.152 1.744 387 H SER 62 H SER 62 17.032 0.228 0.173 388 HA SER 62 HA SER 62 14.300 0.711 -0.500 389 1HB SER 62 1HB SER 62 16.597 -0.769 -1.611 390 2HB SER 62 2HB SER 62 15.051 -1.609 -1.835 391 HG SER 62 HG SER 62 15.266 -0.263 -3.610 392 H ALA 63 H ALA 63 12.532 -0.411 0.278 393 HA ALA 63 HA ALA 63 12.836 -2.140 2.459 394 1HB ALA 63 1HB ALA 63 10.383 -1.992 0.692 395 2HB ALA 63 2HB ALA 63 10.479 -2.202 2.457 396 3HB ALA 63 3HB ALA 63 10.858 -0.624 1.726 397 H SER 64 H SER 64 11.873 -4.429 2.515 398 HA SER 64 HA SER 64 11.804 -5.885 0.128 399 1HB SER 64 1HB SER 64 13.808 -7.255 0.391 400 2HB SER 64 2HB SER 64 14.272 -5.549 0.249 401 HG SER 64 HG SER 64 15.443 -6.607 1.951 402 H THR 65 H THR 65 10.062 -7.116 0.767 403 HA THR 65 HA THR 65 10.306 -9.171 2.599 404 HB THR 65 HB THR 65 10.283 -6.880 4.053 405 HG1 THR 65 1HG THR 65 10.140 -8.577 5.465 406 1HG2 THR 65 1HG2 THR 65 7.395 -7.711 4.299 407 2HG2 THR 65 2HG2 THR 65 8.153 -6.147 4.680 408 3HG2 THR 65 3HG2 THR 65 7.804 -6.578 2.989 409 H SER 66 H SER 66 7.661 -9.437 3.519 410 HA SER 66 HA SER 66 6.372 -9.702 0.931 411 1HB SER 66 1HB SER 66 4.973 -11.410 2.007 412 2HB SER 66 2HB SER 66 6.690 -11.775 2.257 413 HG SER 66 HG SER 66 6.138 -10.353 4.354 414 H LEU 67 H LEU 67 4.384 -8.705 0.494 415 HA LEU 67 HA LEU 67 3.197 -7.211 2.726 416 1HB LEU 67 1HB LEU 67 4.361 -6.239 0.280 417 2HB LEU 67 2HB LEU 67 2.643 -5.812 0.366 418 HG LEU 67 HG LEU 67 3.039 -4.745 2.554 419 1HD1 LEU 67 1HD1 LEU 67 5.322 -4.370 3.364 420 2HD1 LEU 67 2HD1 LEU 67 4.912 -6.102 3.324 421 3HD1 LEU 67 3HD1 LEU 67 5.957 -5.405 2.062 422 1HD2 LEU 67 1HD2 LEU 67 3.077 -3.309 0.656 423 2HD2 LEU 67 2HD2 LEU 67 4.433 -2.832 1.704 424 3HD2 LEU 67 3HD2 LEU 67 4.738 -3.794 0.238 425 H THR 68 H THR 68 0.971 -7.323 2.914 426 HA THR 68 HA THR 68 -0.284 -9.391 1.343 427 HB THR 68 HB THR 68 -0.808 -9.444 3.669 428 HG1 THR 68 1HG THR 68 -2.830 -7.682 2.495 429 1HG2 THR 68 1HG2 THR 68 -1.915 -7.216 4.634 430 2HG2 THR 68 2HG2 THR 68 -0.144 -7.395 4.644 431 3HG2 THR 68 3HG2 THR 68 -0.934 -6.428 3.376 432 H VAL 69 H VAL 69 -0.378 -8.614 -0.784 433 HA VAL 69 HA VAL 69 -1.355 -6.071 -1.427 434 HB VAL 69 HB VAL 69 -1.271 -8.651 -3.003 435 1HG1 VAL 69 1HG1 VAL 69 -2.772 -6.534 -3.717 436 2HG1 VAL 69 2HG1 VAL 69 -1.202 -6.006 -4.372 437 3HG1 VAL 69 3HG1 VAL 69 -1.908 -7.554 -4.893 438 1HG2 VAL 69 1HG2 VAL 69 0.675 -6.327 -2.823 439 2HG2 VAL 69 2HG2 VAL 69 0.935 -7.988 -2.240 440 3HG2 VAL 69 3HG2 VAL 69 0.791 -7.669 -3.985 441 H ARG 70 H ARG 70 -3.150 -6.136 0.284 442 HA ARG 70 HA ARG 70 -5.362 -7.777 -0.273 443 1HB ARG 70 1HB ARG 70 -6.522 -6.303 1.410 444 2HB ARG 70 2HB ARG 70 -4.975 -6.940 2.000 445 1HG ARG 70 1HG ARG 70 -4.456 -4.477 0.624 446 2HG ARG 70 2HG ARG 70 -5.813 -4.192 1.727 447 1HD ARG 70 1HD ARG 70 -4.215 -3.919 3.318 448 2HD ARG 70 2HD ARG 70 -4.063 -5.683 3.296 449 HE ARG 70 HE ARG 70 -2.330 -5.184 1.386 450 1HH1 ARG 70 1HH1 ARG 70 -2.893 -3.140 4.195 451 2HH1 ARG 70 2HH1 ARG 70 -1.285 -2.497 4.208 452 1HH2 ARG 70 1HH2 ARG 70 -0.209 -4.334 1.403 453 2HH2 ARG 70 2HH2 ARG 70 0.252 -3.180 2.609 454 H ARG 71 H ARG 71 -6.950 -7.454 -1.807 455 HA ARG 71 HA ARG 71 -6.861 -5.009 -3.277 456 1HB ARG 71 1HB ARG 71 -7.134 -6.996 -4.588 457 2HB ARG 71 2HB ARG 71 -8.438 -7.605 -3.555 458 1HG ARG 71 1HG ARG 71 -9.255 -5.041 -4.489 459 2HG ARG 71 2HG ARG 71 -8.597 -5.893 -5.896 460 1HD ARG 71 1HD ARG 71 -10.295 -7.619 -4.226 461 2HD ARG 71 2HD ARG 71 -11.172 -6.197 -4.814 462 HE ARG 71 HE ARG 71 -9.640 -7.383 -6.949 463 1HH1 ARG 71 1HH1 ARG 71 -12.544 -7.898 -5.031 464 2HH1 ARG 71 2HH1 ARG 71 -13.351 -8.810 -6.263 465 1HH2 ARG 71 1HH2 ARG 71 -10.703 -8.586 -8.575 466 2HH2 ARG 71 2HH2 ARG 71 -12.296 -9.204 -8.292 467 H SER 72 H SER 72 -9.763 -6.919 -2.219 468 HA SER 72 HA SER 72 -11.211 -4.514 -1.857 469 1HB SER 72 1HB SER 72 -12.090 -6.790 -2.667 470 2HB SER 72 2HB SER 72 -12.075 -7.290 -0.967 471 HG SER 72 HG SER 72 -13.724 -5.389 -2.314 472 H PHE 73 H PHE 73 -10.564 -3.250 -0.113 473 HA PHE 73 HA PHE 73 -10.843 -4.493 2.502 474 1HB PHE 73 1HB PHE 73 -8.644 -3.878 3.158 475 2HB PHE 73 2HB PHE 73 -8.368 -4.326 1.471 476 HD1 PHE 73 1HD PHE 73 -7.922 -2.611 -0.199 477 HD2 PHE 73 2HD PHE 73 -8.547 -1.576 3.869 478 HE1 PHE 73 1HE PHE 73 -6.975 -0.328 -0.635 479 HE2 PHE 73 2HE PHE 73 -7.599 0.708 3.433 480 HZ PHE 73 HZ PHE 73 -6.824 1.304 1.187 481 H GLU 74 H GLU 74 -11.416 -3.002 4.179 482 HA GLU 74 HA GLU 74 -12.761 -0.727 3.168 483 1HB GLU 74 1HB GLU 74 -13.537 -0.427 5.451 484 2HB GLU 74 2HB GLU 74 -13.622 -2.148 5.043 485 1HG GLU 74 1HG GLU 74 -11.071 -1.939 6.071 486 2HG GLU 74 2HG GLU 74 -11.936 -0.738 7.044 487 HE2 GLU 74 HE2 GLU 74 -14.161 -3.386 8.137 488 H GLY 75 H GLY 75 -11.571 1.033 2.526 489 1HA GLY 75 1HA GLY 75 -9.128 1.718 3.957 490 2HA GLY 75 2HA GLY 75 -9.735 2.424 2.473 491 H PHE 76 H PHE 76 -8.751 4.001 4.637 492 HA PHE 76 HA PHE 76 -11.215 5.098 5.779 493 1HB PHE 76 1HB PHE 76 -8.230 5.153 6.449 494 2HB PHE 76 2HB PHE 76 -9.337 6.297 7.213 495 HD1 PHE 76 1HD PHE 76 -9.860 5.706 9.367 496 HD2 PHE 76 2HD PHE 76 -9.376 2.625 6.490 497 HE1 PHE 76 1HE PHE 76 -10.400 3.988 11.116 498 HE2 PHE 76 2HE PHE 76 -9.917 0.907 8.239 499 HZ PHE 76 HZ PHE 76 -10.423 1.610 10.530 500 H LEU 77 H LEU 77 -11.936 7.093 5.152 501 HA LEU 77 HA LEU 77 -11.292 8.349 2.930 502 1HB LEU 77 1HB LEU 77 -12.193 9.396 5.577 503 2HB LEU 77 2HB LEU 77 -11.898 10.523 4.239 504 HG LEU 77 HG LEU 77 -14.288 9.701 4.635 505 1HD1 LEU 77 1HD1 LEU 77 -13.692 9.056 1.820 506 2HD1 LEU 77 2HD1 LEU 77 -14.758 10.298 2.522 507 3HD1 LEU 77 3HD1 LEU 77 -13.007 10.592 2.404 508 1HD2 LEU 77 1HD2 LEU 77 -14.810 7.537 3.437 509 2HD2 LEU 77 2HD2 LEU 77 -13.067 7.181 3.494 510 3HD2 LEU 77 3HD2 LEU 77 -13.984 7.380 5.006 511 H PHE 78 H PHE 78 -9.864 9.527 6.062 512 HA PHE 78 HA PHE 78 -7.267 9.386 5.553 513 1HB PHE 78 1HB PHE 78 -8.636 11.218 3.693 514 2HB PHE 78 2HB PHE 78 -7.418 12.095 4.627 515 HD1 PHE 78 1HD PHE 78 -6.043 12.534 2.692 516 HD2 PHE 78 2HD PHE 78 -7.020 8.549 3.775 517 HE1 PHE 78 1HE PHE 78 -4.264 11.677 1.142 518 HE2 PHE 78 2HE PHE 78 -5.241 7.692 2.225 519 HZ PHE 78 HZ PHE 78 -3.883 9.266 0.928 520 H ASP 79 H ASP 79 -10.010 11.313 6.631 521 HA ASP 79 HA ASP 79 -8.343 12.825 8.424 522 1HB ASP 79 1HB ASP 79 -10.687 13.387 7.118 523 2HB ASP 79 2HB ASP 79 -11.316 12.908 8.703 524 HD2 ASP 79 HD2 ASP 79 -10.832 16.172 9.607 525 H GLY 80 H GLY 80 -11.469 10.966 8.764 526 1HA GLY 80 1HA GLY 80 -10.424 9.240 10.796 527 2HA GLY 80 2HA GLY 80 -11.413 10.522 11.465 528 H THR 81 H THR 81 -11.966 9.252 8.177 529 HA THR 81 HA THR 81 -14.407 7.947 9.189 530 HB THR 81 HB THR 81 -13.907 9.549 6.625 531 HG1 THR 81 1HG THR 81 -15.764 9.837 8.873 532 1HG2 THR 81 1HG2 THR 81 -16.019 7.607 7.388 533 2HG2 THR 81 2HG2 THR 81 -16.657 9.222 6.998 534 3HG2 THR 81 3HG2 THR 81 -15.681 8.338 5.801 535 H ARG 82 H ARG 82 -15.068 5.991 8.223 536 HA ARG 82 HA ARG 82 -12.856 4.713 6.836 537 1HB ARG 82 1HB ARG 82 -13.405 3.657 8.979 538 2HB ARG 82 2HB ARG 82 -15.113 3.523 8.523 539 1HG ARG 82 1HG ARG 82 -13.873 2.257 6.415 540 2HG ARG 82 2HG ARG 82 -12.787 1.837 7.752 541 1HD ARG 82 1HD ARG 82 -14.487 0.119 7.598 542 2HD ARG 82 2HD ARG 82 -14.832 1.067 9.051 543 HE ARG 82 HE ARG 82 -16.231 2.161 6.778 544 1HH1 ARG 82 1HH1 ARG 82 -16.316 -0.541 9.030 545 2HH1 ARG 82 2HH1 ARG 82 -18.025 -0.777 8.882 546 1HH2 ARG 82 1HH2 ARG 82 -18.487 1.850 6.582 547 2HH2 ARG 82 2HH2 ARG 82 -19.268 0.593 7.480 548 H TRP 83 H TRP 83 -13.254 4.764 4.633 549 HA TRP 83 HA TRP 83 -15.547 5.245 3.336 550 1HB TRP 83 1HB TRP 83 -13.002 4.067 2.711 551 2HB TRP 83 2HB TRP 83 -14.277 3.254 1.802 552 HD1 TRP 83 HD TRP 83 -11.987 5.955 1.251 553 HE1 TRP 83 1HE TRP 83 -12.794 7.792 -0.465 554 HE3 TRP 83 3HE TRP 83 -16.897 4.634 1.341 555 HZ2 TRP 83 2HZ TRP 83 -15.337 8.470 -1.567 556 HZ3 TRP 83 3HZ TRP 83 -18.475 5.934 -0.084 557 HH2 TRP 83 HH TRP 83 -17.766 7.794 -1.503 558 H GLY 84 H GLY 84 -14.395 1.831 3.221 559 1HA GLY 84 1HA GLY 84 -15.877 0.266 4.596 560 2HA GLY 84 2HA GLY 84 -17.182 0.975 3.666 561 H THR 85 H THR 85 -14.964 -1.576 3.794 562 HA THR 85 HA THR 85 -13.938 -2.822 2.153 563 HB THR 85 HB THR 85 -16.236 -3.714 2.919 564 HG1 THR 85 1HG THR 85 -15.885 -5.366 1.379 565 1HG2 THR 85 1HG2 THR 85 -17.353 -1.922 1.197 566 2HG2 THR 85 2HG2 THR 85 -17.140 -3.292 0.081 567 3HG2 THR 85 3HG2 THR 85 -18.114 -3.490 1.559 568 H VAL 86 H VAL 86 -12.821 -1.057 1.025 569 HA VAL 86 HA VAL 86 -14.147 -0.184 -1.411 570 HB VAL 86 HB VAL 86 -12.531 1.075 0.377 571 1HG1 VAL 86 1HG1 VAL 86 -10.755 0.380 -1.987 572 2HG1 VAL 86 2HG1 VAL 86 -10.358 1.477 -0.642 573 3HG1 VAL 86 3HG1 VAL 86 -10.570 -0.264 -0.338 574 1HG2 VAL 86 1HG2 VAL 86 -12.099 2.518 -1.953 575 2HG2 VAL 86 2HG2 VAL 86 -13.572 1.585 -2.312 576 3HG2 VAL 86 3HG2 VAL 86 -13.517 2.645 -0.884 577 H ASP 87 H ASP 87 -13.956 -1.318 -3.266 578 HA ASP 87 HA ASP 87 -12.245 -3.533 -3.373 579 1HB ASP 87 1HB ASP 87 -14.208 -2.163 -5.136 580 2HB ASP 87 2HB ASP 87 -12.956 -3.068 -6.001 581 HD2 ASP 87 HD2 ASP 87 -14.642 -5.672 -3.676 582 H CYS 88 H CYS 88 -10.006 -3.174 -3.489 583 HA CYS 88 HA CYS 88 -8.796 -0.892 -4.381 584 1HB CYS 88 1HB CYS 88 -7.949 -3.698 -3.946 585 2HB CYS 88 2HB CYS 88 -6.853 -2.660 -4.876 586 H THR 89 H THR 89 -9.219 -4.052 -6.149 587 HA THR 89 HA THR 89 -8.201 -3.265 -8.580 588 HB THR 89 HB THR 89 -8.845 -5.594 -7.841 589 HG1 THR 89 1HG THR 89 -8.564 -5.130 -10.110 590 1HG2 THR 89 1HG2 THR 89 -11.639 -4.464 -8.358 591 2HG2 THR 89 2HG2 THR 89 -11.281 -6.205 -8.437 592 3HG2 THR 89 3HG2 THR 89 -11.070 -5.322 -6.906 593 H THR 90 H THR 90 -11.262 -2.377 -7.060 594 HA THR 90 HA THR 90 -12.384 -1.413 -9.535 595 HB THR 90 HB THR 90 -13.209 -1.183 -6.592 596 HG1 THR 90 1HG THR 90 -14.714 -2.876 -7.491 597 1HG2 THR 90 1HG2 THR 90 -15.378 -0.496 -7.373 598 2HG2 THR 90 2HG2 THR 90 -14.236 0.541 -8.261 599 3HG2 THR 90 3HG2 THR 90 -14.969 -0.868 -9.065 600 H ALA 91 H ALA 91 -10.245 -0.218 -7.034 601 HA ALA 91 HA ALA 91 -10.440 2.428 -8.298 602 1HB ALA 91 1HB ALA 91 -11.115 3.215 -6.300 603 2HB ALA 91 2HB ALA 91 -10.843 1.639 -5.518 604 3HB ALA 91 3HB ALA 91 -9.502 2.800 -5.673 605 H ALA 92 H ALA 92 -8.757 0.049 -8.933 606 HA ALA 92 HA ALA 92 -6.572 -0.624 -8.834 607 1HB ALA 92 1HB ALA 92 -6.241 2.174 -9.962 608 2HB ALA 92 2HB ALA 92 -5.401 0.681 -10.446 609 3HB ALA 92 3HB ALA 92 -7.126 0.896 -10.827 610 H CYS 93 H CYS 93 -7.008 -0.070 -6.236 611 HA CYS 93 HA CYS 93 -5.757 2.051 -5.077 612 1HB CYS 93 1HB CYS 93 -5.971 0.964 -3.115 613 2HB CYS 93 2HB CYS 93 -7.113 0.029 -4.098 614 H GLN 94 H GLN 94 -3.620 1.465 -3.531 615 HA GLN 94 HA GLN 94 -1.658 0.236 -5.283 616 1HB GLN 94 1HB GLN 94 -0.063 2.112 -4.672 617 2HB GLN 94 2HB GLN 94 -1.380 2.576 -5.763 618 1HG GLN 94 1HG GLN 94 -1.543 2.910 -2.745 619 2HG GLN 94 2HG GLN 94 -0.878 4.169 -3.794 620 1HE2 GLN 94 1HE2 GLN 94 -2.925 4.902 -2.339 621 2HE2 GLN 94 2HE2 GLN 94 -4.400 5.023 -3.238 622 H VAL 95 H VAL 95 0.287 -0.532 -4.138 623 HA VAL 95 HA VAL 95 -0.121 -0.692 -1.234 624 HB VAL 95 HB VAL 95 1.051 -2.941 -2.838 625 1HG1 VAL 95 1HG1 VAL 95 -0.540 -3.781 -0.628 626 2HG1 VAL 95 2HG1 VAL 95 1.228 -3.868 -0.819 627 3HG1 VAL 95 3HG1 VAL 95 0.483 -2.431 -0.077 628 1HG2 VAL 95 1HG2 VAL 95 -1.696 -2.024 -2.985 629 2HG2 VAL 95 2HG2 VAL 95 -0.889 -3.342 -3.868 630 3HG2 VAL 95 3HG2 VAL 95 -1.607 -3.651 -2.270 631 H GLY 96 H GLY 96 1.493 0.414 -0.264 632 1HA GLY 96 1HA GLY 96 4.227 -0.022 -1.232 633 2HA GLY 96 2HA GLY 96 3.625 1.622 -1.161 634 H LEU 97 H LEU 97 5.847 0.515 0.392 635 HA LEU 97 HA LEU 97 4.684 0.538 3.084 636 1HB LEU 97 1HB LEU 97 7.414 -0.162 3.144 637 2HB LEU 97 2HB LEU 97 6.002 -1.162 3.522 638 HG LEU 97 HG LEU 97 5.972 -1.438 0.871 639 1HD1 LEU 97 1HD1 LEU 97 7.725 -0.128 0.134 640 2HD1 LEU 97 2HD1 LEU 97 8.767 -0.548 1.515 641 3HD1 LEU 97 3HD1 LEU 97 8.477 -1.739 0.225 642 1HD2 LEU 97 1HD2 LEU 97 6.396 -3.561 1.383 643 2HD2 LEU 97 2HD2 LEU 97 8.050 -3.183 1.921 644 3HD2 LEU 97 3HD2 LEU 97 6.686 -3.010 3.050 645 H SER 98 H SER 98 5.315 2.088 4.586 646 HA SER 98 HA SER 98 7.360 3.941 3.719 647 1HB SER 98 1HB SER 98 5.635 5.735 4.755 648 2HB SER 98 2HB SER 98 5.666 5.335 3.029 649 HG SER 98 HG SER 98 3.820 4.524 5.069 650 H ASP 99 H ASP 99 8.109 5.362 5.579 651 HA ASP 99 HA ASP 99 8.052 3.769 7.968 652 1HB ASP 99 1HB ASP 99 9.533 6.201 8.318 653 2HB ASP 99 2HB ASP 99 10.166 4.557 8.162 654 HD2 ASP 99 HD2 ASP 99 11.740 5.672 5.341 655 H ALA 100 H ALA 100 8.161 5.367 10.106 656 HA ALA 100 HA ALA 100 5.700 6.931 9.951 657 1HB ALA 100 1HB ALA 100 5.859 5.123 11.628 658 2HB ALA 100 2HB ALA 100 7.303 5.896 12.325 659 3HB ALA 100 3HB ALA 100 5.726 6.716 12.409 660 H ALA 101 H ALA 101 7.813 8.148 8.615 661 HA ALA 101 HA ALA 101 7.888 10.645 9.676 662 1HB ALA 101 1HB ALA 101 10.580 10.212 10.319 663 2HB ALA 101 2HB ALA 101 9.251 10.513 11.465 664 3HB ALA 101 3HB ALA 101 9.723 8.843 11.067 665 H GLY 102 H GLY 102 9.451 8.015 7.888 666 1HA GLY 102 1HA GLY 102 11.088 9.693 6.249 667 2HA GLY 102 2HA GLY 102 10.709 8.000 6.008 668 H ASN 103 H ASN 103 8.044 7.785 5.641 669 HA ASN 103 HA ASN 103 7.103 9.897 3.975 670 1HB ASN 103 1HB ASN 103 8.644 8.016 2.692 671 2HB ASN 103 2HB ASN 103 7.050 7.262 2.553 672 1HD2 ASN 103 1HD2 ASN 103 6.505 7.583 0.513 673 2HD2 ASN 103 2HD2 ASN 103 6.410 9.109 -0.300 674 H GLY 104 H GLY 104 5.111 8.262 2.589 675 1HA GLY 104 1HA GLY 104 3.803 6.612 4.589 676 2HA GLY 104 2HA GLY 104 3.006 8.132 4.233 677 HA PRO 105 HA PRO 105 1.271 6.210 0.750 678 1HB PRO 105 1HB PRO 105 0.415 8.393 -0.653 679 2HB PRO 105 2HB PRO 105 -0.476 7.710 0.705 680 1HG PRO 105 1HG PRO 105 1.209 10.126 0.566 681 2HG PRO 105 2HG PRO 105 -0.057 9.709 1.776 682 1HD PRO 105 1HD PRO 105 2.789 9.623 2.075 683 2HD PRO 105 2HD PRO 105 1.589 9.050 3.239 684 H GLU 106 H GLU 106 1.077 7.095 -1.897 685 HA GLU 106 HA GLU 106 2.302 7.507 -3.703 686 1HB GLU 106 1HB GLU 106 4.065 8.488 -1.888 687 2HB GLU 106 2HB GLU 106 4.999 7.103 -2.480 688 1HG GLU 106 1HG GLU 106 5.614 8.850 -3.935 689 2HG GLU 106 2HG GLU 106 4.379 7.984 -4.862 690 HE2 GLU 106 HE2 GLU 106 3.133 11.371 -3.147 691 H GLY 107 H GLY 107 1.434 4.941 -2.398 692 1HA GLY 107 1HA GLY 107 3.277 2.885 -2.719 693 2HA GLY 107 2HA GLY 107 1.534 2.737 -2.815 694 H VAL 108 H VAL 108 1.701 1.156 -4.528 695 HA VAL 108 HA VAL 108 2.266 2.417 -7.112 696 HB VAL 108 HB VAL 108 4.199 1.144 -6.731 697 1HG1 VAL 108 1HG1 VAL 108 3.954 -1.373 -6.144 698 2HG1 VAL 108 2HG1 VAL 108 3.776 -0.169 -4.846 699 3HG1 VAL 108 3HG1 VAL 108 2.332 -0.919 -5.567 700 1HG2 VAL 108 1HG2 VAL 108 3.606 0.715 -8.935 701 2HG2 VAL 108 2HG2 VAL 108 3.804 -0.927 -8.276 702 3HG2 VAL 108 3HG2 VAL 108 2.175 -0.239 -8.477 703 H ALA 109 H ALA 109 0.559 2.262 -8.480 704 HA ALA 109 HA ALA 109 -1.828 1.085 -7.656 705 1HB ALA 109 1HB ALA 109 -1.743 2.940 -9.227 706 2HB ALA 109 2HB ALA 109 -0.827 1.959 -10.396 707 3HB ALA 109 3HB ALA 109 -2.518 1.549 -10.022 708 H ILE 110 H ILE 110 -2.008 -1.076 -7.246 709 HA ILE 110 HA ILE 110 -0.707 -2.903 -9.119 710 HB ILE 110 HB ILE 110 -1.513 -3.010 -6.263 711 1HG1 ILE 110 1HG1 ILE 110 0.804 -4.316 -7.683 712 2HG1 ILE 110 2HG1 ILE 110 0.837 -2.621 -7.164 713 1HG2 ILE 110 1HG2 ILE 110 -1.307 -5.520 -7.947 714 2HG2 ILE 110 2HG2 ILE 110 -1.580 -5.416 -6.191 715 3HG2 ILE 110 3HG2 ILE 110 -2.825 -4.833 -7.321 716 1HD1 ILE 110 1HD1 ILE 110 1.005 -3.182 -4.940 717 2HD1 ILE 110 2HD1 ILE 110 -0.054 -4.602 -5.112 718 3HD1 ILE 110 3HD1 ILE 110 1.656 -4.702 -5.602 719 H SER 111 H SER 111 -1.855 -4.314 -10.414 720 HA SER 111 HA SER 111 -4.673 -3.722 -10.562 721 1HB SER 111 1HB SER 111 -2.653 -4.243 -12.453 722 2HB SER 111 2HB SER 111 -3.701 -5.672 -12.512 723 HG SER 111 HG SER 111 -5.169 -4.506 -13.535 724 H PHE 112 H PHE 112 -5.372 -4.875 -8.629 725 HA PHE 112 HA PHE 112 -4.745 -7.638 -8.340 726 1HB PHE 112 1HB PHE 112 -7.115 -6.207 -7.085 727 2HB PHE 112 2HB PHE 112 -6.008 -7.354 -6.321 728 HD1 PHE 112 1HD PHE 112 -3.902 -6.596 -5.394 729 HD2 PHE 112 2HD PHE 112 -6.536 -3.861 -7.290 730 HE1 PHE 112 1HE PHE 112 -2.622 -4.678 -4.405 731 HE2 PHE 112 2HE PHE 112 -5.255 -1.943 -6.301 732 HZ PHE 112 HZ PHE 112 -3.313 -2.374 -4.870 733 H ASN 113 H ASN 113 -5.700 -9.326 -9.368 734 HA ASN 113 HA ASN 113 -7.055 -10.419 -10.676 735 1HB ASN 113 1HB ASN 113 -8.600 -9.437 -8.414 736 2HB ASN 113 2HB ASN 113 -9.662 -9.585 -9.821 737 1HD2 ASN 113 1HD2 ASN 113 -10.761 -11.283 -8.829 738 2HD2 ASN 113 2HD2 ASN 113 -10.118 -12.888 -8.736 Start of MODEL 35 1 H ALA 1 H ALA 1 17.210 7.191 -6.956 2 HA ALA 1 HA ALA 1 16.934 7.921 -4.832 3 1HB ALA 1 1HB ALA 1 18.040 9.940 -4.786 4 2HB ALA 1 2HB ALA 1 17.187 10.565 -6.218 5 3HB ALA 1 3HB ALA 1 16.370 10.537 -4.637 6 H ALA 2 H ALA 2 15.056 6.492 -5.458 7 HA ALA 2 HA ALA 2 12.589 8.089 -5.583 8 1HB ALA 2 1HB ALA 2 11.698 6.570 -7.051 9 2HB ALA 2 2HB ALA 2 13.414 6.328 -7.457 10 3HB ALA 2 3HB ALA 2 12.593 5.202 -6.348 11 HA PRO 3 HA PRO 3 12.524 6.195 -1.541 12 1HB PRO 3 1HB PRO 3 11.272 8.257 -0.261 13 2HB PRO 3 2HB PRO 3 13.025 8.110 -0.366 14 1HG PRO 3 1HG PRO 3 11.178 9.865 -1.851 15 2HG PRO 3 2HG PRO 3 12.953 10.052 -1.610 16 1HD PRO 3 1HD PRO 3 11.557 9.186 -3.956 17 2HD PRO 3 2HD PRO 3 13.310 9.200 -3.715 18 H THR 4 H THR 4 11.138 4.672 -2.767 19 HA THR 4 HA THR 4 8.593 4.651 -1.501 20 HB THR 4 HB THR 4 7.456 4.670 -3.913 21 HG1 THR 4 1HG THR 4 9.813 6.403 -4.128 22 1HG2 THR 4 1HG2 THR 4 8.396 7.432 -3.202 23 2HG2 THR 4 2HG2 THR 4 6.742 6.844 -3.501 24 3HG2 THR 4 3HG2 THR 4 7.519 6.552 -1.927 25 H ALA 5 H ALA 5 7.537 2.636 -1.687 26 HA ALA 5 HA ALA 5 9.318 0.586 -2.789 27 1HB ALA 5 1HB ALA 5 7.123 0.503 -0.680 28 2HB ALA 5 2HB ALA 5 8.022 -0.921 -1.257 29 3HB ALA 5 3HB ALA 5 8.878 0.387 -0.406 30 H THR 6 H THR 6 8.087 -1.417 -3.653 31 HA THR 6 HA THR 6 5.500 -0.830 -4.794 32 HB THR 6 HB THR 6 6.195 -0.791 -7.076 33 HG1 THR 6 1HG THR 6 7.780 -2.303 -7.415 34 1HG2 THR 6 1HG2 THR 6 8.518 0.504 -5.551 35 2HG2 THR 6 2HG2 THR 6 8.109 0.798 -7.259 36 3HG2 THR 6 3HG2 THR 6 6.992 1.318 -5.974 37 H VAL 7 H VAL 7 4.519 -2.723 -5.823 38 HA VAL 7 HA VAL 7 5.531 -5.128 -4.522 39 HB VAL 7 HB VAL 7 2.912 -4.759 -5.966 40 1HG1 VAL 7 1HG1 VAL 7 4.173 -6.930 -4.591 41 2HG1 VAL 7 2HG1 VAL 7 2.749 -6.419 -3.653 42 3HG1 VAL 7 3HG1 VAL 7 2.570 -6.876 -5.364 43 1HG2 VAL 7 1HG2 VAL 7 2.705 -3.022 -4.447 44 2HG2 VAL 7 2HG2 VAL 7 2.070 -4.394 -3.507 45 3HG2 VAL 7 3HG2 VAL 7 3.731 -3.819 -3.230 46 H THR 8 H THR 8 6.665 -6.624 -5.640 47 HA THR 8 HA THR 8 7.701 -6.462 -8.046 48 HB THR 8 HB THR 8 6.763 -8.695 -6.312 49 HG1 THR 8 1HG THR 8 9.046 -9.153 -6.715 50 1HG2 THR 8 1HG2 THR 8 7.442 -10.419 -7.992 51 2HG2 THR 8 2HG2 THR 8 5.973 -9.565 -8.519 52 3HG2 THR 8 3HG2 THR 8 7.548 -9.153 -9.238 53 HA PRO 9 HA PRO 9 3.929 -7.945 -10.394 54 1HB PRO 9 1HB PRO 9 1.599 -8.550 -9.099 55 2HB PRO 9 2HB PRO 9 2.808 -9.761 -9.526 56 1HG PRO 9 1HG PRO 9 2.202 -8.519 -6.919 57 2HG PRO 9 2HG PRO 9 3.072 -10.059 -7.254 58 1HD PRO 9 1HD PRO 9 4.165 -7.534 -6.457 59 2HD PRO 9 2HD PRO 9 5.073 -8.975 -6.930 60 H SER 10 H SER 10 1.631 -6.797 -8.031 61 HA SER 10 HA SER 10 0.765 -4.783 -7.759 62 1HB SER 10 1HB SER 10 2.997 -3.877 -8.731 63 2HB SER 10 2HB SER 10 2.109 -3.699 -10.256 64 HG SER 10 HG SER 10 1.990 -1.734 -9.102 65 H SER 11 H SER 11 -0.172 -7.074 -9.408 66 HA SER 11 HA SER 11 -2.507 -6.059 -10.320 67 1HB SER 11 1HB SER 11 -2.178 -6.307 -12.841 68 2HB SER 11 2HB SER 11 -1.470 -4.858 -12.106 69 HG SER 11 HG SER 11 -0.253 -6.874 -13.513 70 H GLY 12 H GLY 12 -3.878 -7.767 -11.276 71 1HA GLY 12 1HA GLY 12 -4.546 -9.896 -11.531 72 2HA GLY 12 2HA GLY 12 -2.932 -10.262 -12.105 73 H LEU 13 H LEU 13 -4.005 -9.057 -8.858 74 HA LEU 13 HA LEU 13 -2.784 -11.478 -7.730 75 1HB LEU 13 1HB LEU 13 -3.168 -9.264 -5.898 76 2HB LEU 13 2HB LEU 13 -1.726 -10.241 -6.228 77 HG LEU 13 HG LEU 13 -1.996 -8.566 -8.457 78 1HD1 LEU 13 1HD1 LEU 13 -2.445 -6.404 -7.780 79 2HD1 LEU 13 2HD1 LEU 13 -3.651 -7.337 -6.863 80 3HD1 LEU 13 3HD1 LEU 13 -2.169 -6.767 -6.059 81 1HD2 LEU 13 1HD2 LEU 13 -0.181 -8.748 -6.087 82 2HD2 LEU 13 2HD2 LEU 13 0.157 -9.003 -7.817 83 3HD2 LEU 13 3HD2 LEU 13 -0.030 -7.351 -7.181 84 H SER 14 H SER 14 -3.960 -10.739 -5.060 85 HA SER 14 HA SER 14 -6.775 -10.907 -5.544 86 1HB SER 14 1HB SER 14 -5.791 -13.281 -5.708 87 2HB SER 14 2HB SER 14 -5.474 -13.158 -3.968 88 HG SER 14 HG SER 14 -7.489 -13.872 -3.792 89 H ASP 15 H ASP 15 -7.995 -10.923 -3.363 90 HA ASP 15 HA ASP 15 -7.022 -8.912 -1.786 91 1HB ASP 15 1HB ASP 15 -8.894 -9.320 -0.374 92 2HB ASP 15 2HB ASP 15 -9.420 -9.826 -1.988 93 HD2 ASP 15 HD2 ASP 15 -9.516 -12.393 0.941 94 H GLY 16 H GLY 16 -5.212 -9.020 -0.445 95 1HA GLY 16 1HA GLY 16 -4.034 -9.729 1.386 96 2HA GLY 16 2HA GLY 16 -4.996 -11.192 1.464 97 H THR 17 H THR 17 -3.372 -9.978 -1.502 98 HA THR 17 HA THR 17 -1.970 -12.503 -1.709 99 HB THR 17 HB THR 17 -3.122 -11.572 -3.679 100 HG1 THR 17 1HG THR 17 -1.284 -12.415 -4.582 101 1HG2 THR 17 1HG2 THR 17 -1.849 -9.077 -2.761 102 2HG2 THR 17 2HG2 THR 17 -1.462 -9.426 -4.463 103 3HG2 THR 17 3HG2 THR 17 -3.160 -9.296 -3.945 104 H VAL 18 H VAL 18 -0.393 -12.574 -0.123 105 HA VAL 18 HA VAL 18 1.371 -10.338 0.206 106 HB VAL 18 HB VAL 18 1.750 -13.132 1.263 107 1HG1 VAL 18 1HG1 VAL 18 3.172 -10.729 1.570 108 2HG1 VAL 18 2HG1 VAL 18 2.263 -10.936 3.086 109 3HG1 VAL 18 3HG1 VAL 18 3.356 -12.223 2.520 110 1HG2 VAL 18 1HG2 VAL 18 -0.416 -11.210 1.871 111 2HG2 VAL 18 2HG2 VAL 18 -0.336 -12.971 2.119 112 3HG2 VAL 18 3HG2 VAL 18 0.435 -11.871 3.288 113 H VAL 19 H VAL 19 2.384 -9.952 -1.795 114 HA VAL 19 HA VAL 19 4.003 -12.186 -2.797 115 HB VAL 19 HB VAL 19 3.946 -11.136 -4.927 116 1HG1 VAL 19 1HG1 VAL 19 1.492 -11.772 -3.493 117 2HG1 VAL 19 2HG1 VAL 19 1.201 -10.625 -4.823 118 3HG1 VAL 19 3HG1 VAL 19 1.986 -12.188 -5.152 119 1HG2 VAL 19 1HG2 VAL 19 4.084 -8.882 -4.881 120 2HG2 VAL 19 2HG2 VAL 19 2.306 -8.958 -4.928 121 3HG2 VAL 19 3HG2 VAL 19 3.147 -8.748 -3.374 122 H LYS 20 H LYS 20 6.120 -11.308 -3.916 123 HA LYS 20 HA LYS 20 7.631 -10.114 -1.862 124 1HB LYS 20 1HB LYS 20 8.081 -11.196 -4.573 125 2HB LYS 20 2HB LYS 20 9.252 -9.979 -4.036 126 1HG LYS 20 1HG LYS 20 9.647 -11.284 -1.968 127 2HG LYS 20 2HG LYS 20 8.463 -12.493 -2.488 128 1HD LYS 20 1HD LYS 20 9.860 -12.944 -4.508 129 2HD LYS 20 2HD LYS 20 11.060 -11.775 -3.930 130 1HE LYS 20 1HE LYS 20 10.792 -13.365 -1.717 131 2HE LYS 20 2HE LYS 20 10.472 -14.551 -2.992 132 1HZ LYS 20 1HZ LYS 20 12.728 -12.780 -3.349 133 2HZ LYS 20 2HZ LYS 20 12.877 -13.944 -2.213 134 3HZ LYS 20 3HZ LYS 20 12.562 -14.350 -3.763 135 H VAL 21 H VAL 21 8.466 -8.029 -1.623 136 HA VAL 21 HA VAL 21 7.695 -6.069 -3.636 137 HB VAL 21 HB VAL 21 6.950 -5.935 -0.709 138 1HG1 VAL 21 1HG1 VAL 21 6.022 -3.789 -2.509 139 2HG1 VAL 21 2HG1 VAL 21 6.640 -3.706 -0.842 140 3HG1 VAL 21 3HG1 VAL 21 7.777 -3.799 -2.209 141 1HG2 VAL 21 1HG2 VAL 21 5.138 -7.023 -1.509 142 2HG2 VAL 21 2HG2 VAL 21 4.676 -5.416 -2.115 143 3HG2 VAL 21 3HG2 VAL 21 5.483 -6.576 -3.197 144 H ALA 22 H ALA 22 9.149 -4.336 -3.790 145 HA ALA 22 HA ALA 22 11.274 -4.237 -1.793 146 1HB ALA 22 1HB ALA 22 12.086 -4.105 -4.671 147 2HB ALA 22 2HB ALA 22 12.982 -4.709 -3.256 148 3HB ALA 22 3HB ALA 22 11.711 -5.710 -3.997 149 H GLY 23 H GLY 23 12.527 -2.180 -1.947 150 1HA GLY 23 1HA GLY 23 12.756 -0.010 -2.884 151 2HA GLY 23 2HA GLY 23 11.092 -0.072 -3.428 152 H ALA 24 H ALA 24 11.718 2.171 -2.075 153 HA ALA 24 HA ALA 24 9.931 2.603 -0.220 154 1HB ALA 24 1HB ALA 24 11.356 2.217 1.983 155 2HB ALA 24 2HB ALA 24 10.378 0.899 1.293 156 3HB ALA 24 3HB ALA 24 12.132 0.952 0.999 157 H GLY 25 H GLY 25 11.321 3.988 1.881 158 1HA GLY 25 1HA GLY 25 12.037 6.347 0.564 159 2HA GLY 25 2HA GLY 25 12.330 5.961 2.248 160 H LEU 26 H LEU 26 13.753 3.419 0.669 161 HA LEU 26 HA LEU 26 15.876 2.838 0.415 162 1HB LEU 26 1HB LEU 26 15.577 3.713 -1.731 163 2HB LEU 26 2HB LEU 26 15.741 5.389 -1.178 164 HG LEU 26 HG LEU 26 18.165 4.197 -0.493 165 1HD1 LEU 26 1HD1 LEU 26 17.212 2.328 -2.096 166 2HD1 LEU 26 2HD1 LEU 26 17.781 3.444 -3.360 167 3HD1 LEU 26 3HD1 LEU 26 18.924 2.814 -2.149 168 1HD2 LEU 26 1HD2 LEU 26 17.378 6.460 -1.681 169 2HD2 LEU 26 2HD2 LEU 26 19.058 5.875 -1.728 170 3HD2 LEU 26 3HD2 LEU 26 17.979 5.591 -3.114 171 H GLN 27 H GLN 27 15.773 3.376 2.914 172 HA GLN 27 HA GLN 27 17.484 5.605 3.543 173 1HB GLN 27 1HB GLN 27 15.451 4.052 4.906 174 2HB GLN 27 2HB GLN 27 16.925 4.101 5.890 175 1HG GLN 27 1HG GLN 27 16.372 6.189 6.528 176 2HG GLN 27 2HG GLN 27 16.559 6.733 4.854 177 1HE2 GLN 27 1HE2 GLN 27 14.462 6.174 7.449 178 2HE2 GLN 27 2HE2 GLN 27 12.942 6.464 6.670 179 H ALA 28 H ALA 28 17.496 2.434 5.230 180 HA ALA 28 HA ALA 28 19.638 1.199 4.155 181 1HB ALA 28 1HB ALA 28 21.211 2.293 6.223 182 2HB ALA 28 2HB ALA 28 21.419 2.534 4.473 183 3HB ALA 28 3HB ALA 28 20.451 3.689 5.421 184 H GLY 29 H GLY 29 18.266 -0.485 4.949 185 1HA GLY 29 1HA GLY 29 17.678 -2.077 6.421 186 2HA GLY 29 2HA GLY 29 18.996 -1.540 7.443 187 H THR 30 H THR 30 16.857 1.054 6.670 188 HA THR 30 HA THR 30 15.969 1.201 9.386 189 HB THR 30 HB THR 30 15.354 2.838 6.870 190 HG1 THR 30 1HG THR 30 17.047 4.145 7.883 191 1HG2 THR 30 1HG2 THR 30 14.942 4.646 8.671 192 2HG2 THR 30 2HG2 THR 30 13.659 3.422 8.504 193 3HG2 THR 30 3HG2 THR 30 14.827 3.311 9.843 194 H ALA 31 H ALA 31 13.626 1.575 9.948 195 HA ALA 31 HA ALA 31 12.163 -0.695 8.986 196 1HB ALA 31 1HB ALA 31 12.260 0.951 11.317 197 2HB ALA 31 2HB ALA 31 10.608 1.055 10.661 198 3HB ALA 31 3HB ALA 31 11.310 -0.532 11.056 199 H TYR 32 H TYR 32 10.150 -0.665 7.864 200 HA TYR 32 HA TYR 32 9.276 1.917 6.837 201 1HB TYR 32 1HB TYR 32 10.450 -0.485 5.377 202 2HB TYR 32 2HB TYR 32 9.177 0.432 4.562 203 HD1 TYR 32 1HD TYR 32 12.246 -0.008 3.892 204 HD2 TYR 32 2HD TYR 32 10.002 3.191 5.635 205 HE1 TYR 32 1HE TYR 32 13.984 1.662 3.082 206 HE2 TYR 32 2HE TYR 32 11.747 4.850 4.819 207 HH TYR 32 HH TYR 32 13.518 5.140 3.596 208 H ASP 33 H ASP 33 7.518 1.370 8.396 209 HA ASP 33 HA ASP 33 6.044 -0.840 8.456 210 1HB ASP 33 1HB ASP 33 5.752 1.837 9.253 211 2HB ASP 33 2HB ASP 33 4.297 1.525 8.294 212 HD2 ASP 33 HD2 ASP 33 4.657 -0.896 11.422 213 H VAL 34 H VAL 34 4.640 -1.930 7.036 214 HA VAL 34 HA VAL 34 4.499 -1.058 4.346 215 HB VAL 34 HB VAL 34 3.280 -3.303 5.940 216 1HG1 VAL 34 1HG1 VAL 34 2.699 -2.469 3.106 217 2HG1 VAL 34 2HG1 VAL 34 2.683 -4.191 3.555 218 3HG1 VAL 34 3HG1 VAL 34 1.586 -3.049 4.369 219 1HG2 VAL 34 1HG2 VAL 34 5.261 -3.353 3.643 220 2HG2 VAL 34 2HG2 VAL 34 5.723 -3.332 5.362 221 3HG2 VAL 34 3HG2 VAL 34 4.796 -4.703 4.706 222 H GLY 35 H GLY 35 2.821 -0.098 3.197 223 1HA GLY 35 1HA GLY 35 0.610 0.934 4.867 224 2HA GLY 35 2HA GLY 35 1.314 1.759 3.491 225 H GLN 36 H GLN 36 -1.233 1.693 3.102 226 HA GLN 36 HA GLN 36 -1.644 0.191 0.867 227 1HB GLN 36 1HB GLN 36 -1.726 -1.842 2.089 228 2HB GLN 36 2HB GLN 36 -2.703 -1.134 3.386 229 1HG GLN 36 1HG GLN 36 -4.510 -1.958 2.311 230 2HG GLN 36 2HG GLN 36 -4.238 -0.730 1.064 231 1HE2 GLN 36 1HE2 GLN 36 -3.796 -1.357 -0.919 232 2HE2 GLN 36 2HE2 GLN 36 -3.371 -2.957 -1.431 233 H CYS 37 H CYS 37 -2.749 1.886 -0.051 234 HA CYS 37 HA CYS 37 -5.202 2.683 1.326 235 1HB CYS 37 1HB CYS 37 -3.348 4.584 -0.098 236 2HB CYS 37 2HB CYS 37 -4.863 4.996 0.726 237 H ALA 38 H ALA 38 -6.423 4.213 -0.538 238 HA ALA 38 HA ALA 38 -6.068 2.938 -3.135 239 1HB ALA 38 1HB ALA 38 -8.711 3.022 -1.624 240 2HB ALA 38 2HB ALA 38 -8.460 2.403 -3.274 241 3HB ALA 38 3HB ALA 38 -7.721 1.566 -1.888 242 H TRP 39 H TRP 39 -5.203 5.016 -3.753 243 HA TRP 39 HA TRP 39 -6.736 7.376 -3.337 244 1HB TRP 39 1HB TRP 39 -4.398 7.601 -3.488 245 2HB TRP 39 2HB TRP 39 -4.318 6.707 -5.007 246 HD1 TRP 39 HD TRP 39 -5.463 10.165 -3.661 247 HE1 TRP 39 1HE TRP 39 -5.475 11.966 -5.589 248 HE3 TRP 39 3HE TRP 39 -4.409 6.911 -7.423 249 HZ2 TRP 39 2HZ TRP 39 -5.051 11.831 -8.407 250 HZ3 TRP 39 3HZ TRP 39 -4.224 7.828 -9.734 251 HH2 TRP 39 HH TRP 39 -4.527 10.196 -10.255 252 H VAL 40 H VAL 40 -8.536 7.975 -4.465 253 HA VAL 40 HA VAL 40 -8.885 6.764 -7.121 254 HB VAL 40 HB VAL 40 -11.017 7.570 -5.134 255 1HG1 VAL 40 1HG1 VAL 40 -11.648 5.696 -7.329 256 2HG1 VAL 40 2HG1 VAL 40 -12.577 7.071 -6.686 257 3HG1 VAL 40 3HG1 VAL 40 -11.257 7.353 -7.847 258 1HG2 VAL 40 1HG2 VAL 40 -10.633 4.711 -5.835 259 2HG2 VAL 40 2HG2 VAL 40 -9.383 5.438 -4.796 260 3HG2 VAL 40 3HG2 VAL 40 -11.089 5.467 -4.289 261 H ASP 41 H ASP 41 -11.352 8.953 -6.351 262 HA ASP 41 HA ASP 41 -10.664 10.694 -8.340 263 1HB ASP 41 1HB ASP 41 -12.700 10.427 -6.314 264 2HB ASP 41 2HB ASP 41 -12.191 12.123 -6.364 265 HD2 ASP 41 HD2 ASP 41 -13.211 11.936 -9.925 266 H THR 42 H THR 42 -10.544 13.283 -7.725 267 HA THR 42 HA THR 42 -8.026 13.642 -6.488 268 HB THR 42 HB THR 42 -10.226 15.576 -7.389 269 HG1 THR 42 1HG THR 42 -8.949 15.471 -9.306 270 1HG2 THR 42 1HG2 THR 42 -7.919 16.178 -5.859 271 2HG2 THR 42 2HG2 THR 42 -7.435 16.484 -7.544 272 3HG2 THR 42 3HG2 THR 42 -8.846 17.323 -6.857 273 H GLY 43 H GLY 43 -8.044 12.825 -4.382 274 1HA GLY 43 1HA GLY 43 -7.997 13.709 -2.174 275 2HA GLY 43 2HA GLY 43 -9.501 14.554 -2.487 276 H VAL 44 H VAL 44 -10.115 11.763 -4.059 277 HA VAL 44 HA VAL 44 -11.471 10.651 -1.744 278 HB VAL 44 HB VAL 44 -11.639 9.882 -4.661 279 1HG1 VAL 44 1HG1 VAL 44 -13.227 8.399 -4.094 280 2HG1 VAL 44 2HG1 VAL 44 -12.591 8.550 -2.438 281 3HG1 VAL 44 3HG1 VAL 44 -13.994 9.522 -2.944 282 1HG2 VAL 44 1HG2 VAL 44 -13.655 11.292 -4.764 283 2HG2 VAL 44 2HG2 VAL 44 -13.352 11.846 -3.100 284 3HG2 VAL 44 3HG2 VAL 44 -12.201 12.252 -4.396 285 H LEU 45 H LEU 45 -9.148 10.130 -0.922 286 HA LEU 45 HA LEU 45 -8.281 7.593 -2.115 287 1HB LEU 45 1HB LEU 45 -6.596 9.269 -2.218 288 2HB LEU 45 2HB LEU 45 -6.787 9.659 -0.500 289 HG LEU 45 HG LEU 45 -5.818 6.989 -1.553 290 1HD1 LEU 45 1HD1 LEU 45 -3.593 7.650 -1.253 291 2HD1 LEU 45 2HD1 LEU 45 -4.352 9.022 -2.096 292 3HD1 LEU 45 3HD1 LEU 45 -4.050 9.112 -0.345 293 1HD2 LEU 45 1HD2 LEU 45 -4.862 7.066 0.920 294 2HD2 LEU 45 2HD2 LEU 45 -6.260 8.140 1.165 295 3HD2 LEU 45 3HD2 LEU 45 -6.506 6.484 0.562 296 H ALA 46 H ALA 46 -8.736 5.762 -1.022 297 HA ALA 46 HA ALA 46 -9.621 6.072 1.750 298 1HB ALA 46 1HB ALA 46 -11.100 4.399 1.316 299 2HB ALA 46 2HB ALA 46 -10.794 4.819 -0.386 300 3HB ALA 46 3HB ALA 46 -9.919 3.465 0.367 301 H CYS 47 H CYS 47 -7.816 6.028 3.054 302 HA CYS 47 HA CYS 47 -5.645 4.281 2.407 303 1HB CYS 47 1HB CYS 47 -6.105 6.551 4.091 304 2HB CYS 47 2HB CYS 47 -5.360 5.253 5.041 305 H ASN 48 H ASN 48 -4.931 2.499 3.832 306 HA ASN 48 HA ASN 48 -7.204 1.367 5.262 307 1HB ASN 48 1HB ASN 48 -6.212 0.145 3.211 308 2HB ASN 48 2HB ASN 48 -4.778 -0.161 4.203 309 1HD2 ASN 48 1HD2 ASN 48 -8.319 -0.445 4.191 310 2HD2 ASN 48 2HD2 ASN 48 -8.428 -1.937 5.065 311 HA PRO 49 HA PRO 49 -4.100 2.188 8.443 312 1HB PRO 49 1HB PRO 49 -5.852 2.813 10.444 313 2HB PRO 49 2HB PRO 49 -5.159 4.016 9.358 314 1HG PRO 49 1HG PRO 49 -7.855 2.816 9.388 315 2HG PRO 49 2HG PRO 49 -7.317 4.351 8.614 316 1HD PRO 49 1HD PRO 49 -7.901 1.839 7.371 317 2HD PRO 49 2HD PRO 49 -7.222 3.272 6.586 318 H ALA 50 H ALA 50 -4.697 -0.364 7.583 319 HA ALA 50 HA ALA 50 -4.738 -1.672 10.200 320 1HB ALA 50 1HB ALA 50 -6.041 -3.481 8.578 321 2HB ALA 50 2HB ALA 50 -6.841 -2.374 9.720 322 3HB ALA 50 3HB ALA 50 -6.698 -1.930 8.003 323 H ASP 51 H ASP 51 -3.038 -0.884 7.504 324 HA ASP 51 HA ASP 51 -2.134 -3.087 6.314 325 1HB ASP 51 1HB ASP 51 0.188 -1.865 6.404 326 2HB ASP 51 2HB ASP 51 -1.165 -1.081 5.573 327 HD2 ASP 51 HD2 ASP 51 -0.952 0.603 9.072 328 H PHE 52 H PHE 52 -0.586 -1.569 9.257 329 HA PHE 52 HA PHE 52 0.466 -2.434 10.992 330 1HB PHE 52 1HB PHE 52 -1.524 -4.355 10.209 331 2HB PHE 52 2HB PHE 52 -0.062 -5.294 10.531 332 HD1 PHE 52 1HD PHE 52 -0.095 -6.236 12.623 333 HD2 PHE 52 2HD PHE 52 -1.709 -2.342 12.136 334 HE1 PHE 52 1HE PHE 52 -0.587 -6.132 15.082 335 HE2 PHE 52 2HE PHE 52 -2.202 -2.238 14.595 336 HZ PHE 52 HZ PHE 52 -1.634 -4.134 16.039 337 H SER 53 H SER 53 0.672 -4.627 8.113 338 HA SER 53 HA SER 53 2.906 -5.943 8.557 339 1HB SER 53 1HB SER 53 1.780 -4.644 6.105 340 2HB SER 53 2HB SER 53 3.409 -5.332 5.980 341 HG SER 53 HG SER 53 1.240 -6.847 7.109 342 H SER 54 H SER 54 5.237 -5.616 7.999 343 HA SER 54 HA SER 54 6.033 -2.851 7.813 344 1HB SER 54 1HB SER 54 7.717 -3.219 9.688 345 2HB SER 54 2HB SER 54 6.026 -3.076 10.200 346 HG SER 54 HG SER 54 7.023 -5.681 9.632 347 H VAL 55 H VAL 55 8.054 -2.605 6.748 348 HA VAL 55 HA VAL 55 9.407 -5.118 6.060 349 HB VAL 55 HB VAL 55 8.125 -4.550 4.155 350 1HG1 VAL 55 1HG1 VAL 55 8.409 -2.250 3.067 351 2HG1 VAL 55 2HG1 VAL 55 7.414 -2.331 4.540 352 3HG1 VAL 55 3HG1 VAL 55 9.085 -1.720 4.626 353 1HG2 VAL 55 1HG2 VAL 55 10.270 -5.268 3.479 354 2HG2 VAL 55 2HG2 VAL 55 9.939 -3.817 2.501 355 3HG2 VAL 55 3HG2 VAL 55 11.021 -3.712 3.910 356 H THR 56 H THR 56 11.717 -4.887 5.624 357 HA THR 56 HA THR 56 12.807 -2.471 6.912 358 HB THR 56 HB THR 56 13.597 -5.415 6.941 359 HG1 THR 56 1HG THR 56 12.967 -5.045 9.051 360 1HG2 THR 56 1HG2 THR 56 15.251 -3.257 8.274 361 2HG2 THR 56 2HG2 THR 56 15.723 -4.913 7.827 362 3HG2 THR 56 3HG2 THR 56 15.586 -3.658 6.573 363 H ALA 57 H ALA 57 14.769 -1.567 6.080 364 HA ALA 57 HA ALA 57 14.822 -1.716 3.212 365 1HB ALA 57 1HB ALA 57 16.601 0.071 3.551 366 2HB ALA 57 2HB ALA 57 14.999 0.453 4.228 367 3HB ALA 57 3HB ALA 57 16.313 -0.088 5.300 368 H ASP 58 H ASP 58 17.198 -1.683 2.209 369 HA ASP 58 HA ASP 58 18.713 -3.783 3.537 370 1HB ASP 58 1HB ASP 58 19.249 -4.584 1.137 371 2HB ASP 58 2HB ASP 58 17.649 -4.980 1.781 372 HD2 ASP 58 HD2 ASP 58 16.634 -3.797 -1.305 373 H ALA 59 H ALA 59 20.826 -3.055 3.834 374 HA ALA 59 HA ALA 59 22.432 -1.443 3.796 375 1HB ALA 59 1HB ALA 59 22.424 -3.184 1.389 376 2HB ALA 59 2HB ALA 59 23.491 -1.762 1.297 377 3HB ALA 59 3HB ALA 59 23.686 -2.937 2.619 378 H ASN 60 H ASN 60 21.772 -1.123 0.295 379 HA ASN 60 HA ASN 60 22.129 1.444 0.020 380 1HB ASN 60 1HB ASN 60 20.415 -0.549 -1.300 381 2HB ASN 60 2HB ASN 60 19.761 1.086 -1.486 382 1HD2 ASN 60 1HD2 ASN 60 20.286 0.431 -3.762 383 2HD2 ASN 60 2HD2 ASN 60 21.847 0.846 -4.387 384 H GLY 61 H GLY 61 19.038 -0.099 1.141 385 1HA GLY 61 1HA GLY 61 18.042 1.184 3.058 386 2HA GLY 61 2HA GLY 61 18.071 2.566 1.980 387 H SER 62 H SER 62 17.606 -0.020 -0.069 388 HA SER 62 HA SER 62 14.870 0.632 -0.371 389 1HB SER 62 1HB SER 62 16.138 0.183 -2.350 390 2HB SER 62 2HB SER 62 16.717 -1.369 -1.726 391 HG SER 62 HG SER 62 14.992 -2.279 -2.588 392 H ALA 63 H ALA 63 13.036 -0.615 0.163 393 HA ALA 63 HA ALA 63 13.418 -2.527 2.244 394 1HB ALA 63 1HB ALA 63 10.783 -2.160 0.866 395 2HB ALA 63 2HB ALA 63 11.161 -2.241 2.603 396 3HB ALA 63 3HB ALA 63 11.487 -0.748 1.690 397 H SER 64 H SER 64 12.518 -4.757 2.186 398 HA SER 64 HA SER 64 12.041 -5.886 -0.373 399 1HB SER 64 1HB SER 64 13.921 -7.475 -0.347 400 2HB SER 64 2HB SER 64 14.514 -5.805 -0.414 401 HG SER 64 HG SER 64 14.971 -5.924 1.852 402 H THR 65 H THR 65 10.201 -6.977 0.268 403 HA THR 65 HA THR 65 10.376 -9.257 1.860 404 HB THR 65 HB THR 65 10.606 -7.210 3.558 405 HG1 THR 65 1HG THR 65 9.335 -8.661 5.008 406 1HG2 THR 65 1HG2 THR 65 7.574 -7.508 3.244 407 2HG2 THR 65 2HG2 THR 65 8.419 -6.528 4.465 408 3HG2 THR 65 3HG2 THR 65 8.488 -6.064 2.749 409 H SER 66 H SER 66 8.026 -10.017 2.498 410 HA SER 66 HA SER 66 6.539 -9.628 0.072 411 1HB SER 66 1HB SER 66 6.020 -11.473 2.438 412 2HB SER 66 2HB SER 66 5.186 -11.541 0.875 413 HG SER 66 HG SER 66 7.429 -12.806 1.581 414 H LEU 67 H LEU 67 4.808 -8.245 -0.085 415 HA LEU 67 HA LEU 67 3.628 -7.339 2.449 416 1HB LEU 67 1HB LEU 67 4.371 -5.954 -0.068 417 2HB LEU 67 2HB LEU 67 2.923 -5.394 0.786 418 HG LEU 67 HG LEU 67 4.302 -5.036 2.812 419 1HD1 LEU 67 1HD1 LEU 67 6.340 -5.876 3.048 420 2HD1 LEU 67 2HD1 LEU 67 6.176 -6.646 1.452 421 3HD1 LEU 67 3HD1 LEU 67 6.906 -5.029 1.589 422 1HD2 LEU 67 1HD2 LEU 67 4.007 -3.048 1.710 423 2HD2 LEU 67 2HD2 LEU 67 5.783 -3.169 1.686 424 3HD2 LEU 67 3HD2 LEU 67 4.842 -3.605 0.240 425 H THR 68 H THR 68 1.363 -7.288 2.649 426 HA THR 68 HA THR 68 0.008 -9.048 0.768 427 HB THR 68 HB THR 68 -0.257 -9.568 3.128 428 HG1 THR 68 1HG THR 68 -2.382 -9.763 2.548 429 1HG2 THR 68 1HG2 THR 68 -0.313 -6.645 3.405 430 2HG2 THR 68 2HG2 THR 68 -1.741 -7.385 4.168 431 3HG2 THR 68 3HG2 THR 68 -0.107 -7.883 4.668 432 H VAL 69 H VAL 69 -0.699 -8.126 -1.064 433 HA VAL 69 HA VAL 69 -1.482 -5.375 -1.086 434 HB VAL 69 HB VAL 69 -2.107 -7.265 -3.306 435 1HG1 VAL 69 1HG1 VAL 69 -1.909 -4.460 -2.954 436 2HG1 VAL 69 2HG1 VAL 69 -0.560 -4.940 -4.012 437 3HG1 VAL 69 3HG1 VAL 69 -2.232 -5.359 -4.457 438 1HG2 VAL 69 1HG2 VAL 69 0.569 -6.932 -2.098 439 2HG2 VAL 69 2HG2 VAL 69 -0.062 -8.210 -3.162 440 3HG2 VAL 69 3HG2 VAL 69 0.501 -6.671 -3.858 441 H ARG 70 H ARG 70 -3.038 -6.061 0.852 442 HA ARG 70 HA ARG 70 -5.233 -7.512 0.582 443 1HB ARG 70 1HB ARG 70 -5.014 -4.716 1.784 444 2HB ARG 70 2HB ARG 70 -6.374 -5.808 2.092 445 1HG ARG 70 1HG ARG 70 -5.193 -6.928 3.651 446 2HG ARG 70 2HG ARG 70 -3.838 -7.182 2.536 447 1HD ARG 70 1HD ARG 70 -4.210 -4.448 3.737 448 2HD ARG 70 2HD ARG 70 -3.574 -5.726 4.783 449 HE ARG 70 HE ARG 70 -2.012 -5.975 2.544 450 1HH1 ARG 70 1HH1 ARG 70 -2.888 -3.190 4.508 451 2HH1 ARG 70 2HH1 ARG 70 -1.418 -2.336 4.180 452 1HH2 ARG 70 1HH2 ARG 70 -0.073 -4.848 2.110 453 2HH2 ARG 70 2HH2 ARG 70 0.195 -3.285 2.807 454 H ARG 71 H ARG 71 -7.195 -7.455 -0.550 455 HA ARG 71 HA ARG 71 -7.408 -5.286 -2.453 456 1HB ARG 71 1HB ARG 71 -7.441 -7.536 -3.408 457 2HB ARG 71 2HB ARG 71 -8.751 -8.031 -2.322 458 1HG ARG 71 1HG ARG 71 -9.431 -5.619 -3.837 459 2HG ARG 71 2HG ARG 71 -9.019 -6.963 -4.915 460 1HD ARG 71 1HD ARG 71 -11.086 -6.999 -2.670 461 2HD ARG 71 2HD ARG 71 -11.440 -6.968 -4.405 462 HE ARG 71 HE ARG 71 -9.749 -9.204 -3.860 463 1HH1 ARG 71 1HH1 ARG 71 -13.032 -8.112 -3.217 464 2HH1 ARG 71 2HH1 ARG 71 -13.681 -9.714 -3.109 465 1HH2 ARG 71 1HH2 ARG 71 -10.604 -11.319 -3.718 466 2HH2 ARG 71 2HH2 ARG 71 -12.291 -11.551 -3.395 467 H SER 72 H SER 72 -9.869 -7.433 -0.849 468 HA SER 72 HA SER 72 -11.616 -5.185 -0.633 469 1HB SER 72 1HB SER 72 -11.937 -7.944 -0.916 470 2HB SER 72 2HB SER 72 -12.472 -7.638 0.746 471 HG SER 72 HG SER 72 -13.820 -7.210 -1.548 472 H PHE 73 H PHE 73 -11.783 -3.873 1.152 473 HA PHE 73 HA PHE 73 -11.568 -4.888 3.773 474 1HB PHE 73 1HB PHE 73 -9.485 -3.517 4.318 475 2HB PHE 73 2HB PHE 73 -9.150 -4.867 3.229 476 HD1 PHE 73 1HD PHE 73 -7.945 -4.451 1.300 477 HD2 PHE 73 2HD PHE 73 -10.007 -1.235 3.147 478 HE1 PHE 73 1HE PHE 73 -6.923 -2.853 -0.343 479 HE2 PHE 73 2HE PHE 73 -8.986 0.363 1.503 480 HZ PHE 73 HZ PHE 73 -7.457 -0.464 -0.222 481 H GLU 74 H GLU 74 -10.916 -2.575 5.196 482 HA GLU 74 HA GLU 74 -12.983 -0.779 4.202 483 1HB GLU 74 1HB GLU 74 -12.924 -0.023 6.714 484 2HB GLU 74 2HB GLU 74 -13.752 -1.529 6.281 485 1HG GLU 74 1HG GLU 74 -10.833 -1.718 6.905 486 2HG GLU 74 2HG GLU 74 -11.903 -1.360 8.269 487 HE2 GLU 74 HE2 GLU 74 -12.933 -4.626 8.403 488 H GLY 75 H GLY 75 -12.378 1.247 3.554 489 1HA GLY 75 1HA GLY 75 -9.763 2.247 4.516 490 2HA GLY 75 2HA GLY 75 -10.284 2.383 2.848 491 H PHE 76 H PHE 76 -9.612 4.535 4.816 492 HA PHE 76 HA PHE 76 -12.242 5.806 5.054 493 1HB PHE 76 1HB PHE 76 -11.050 7.212 6.738 494 2HB PHE 76 2HB PHE 76 -10.811 5.504 7.119 495 HD1 PHE 76 1HD PHE 76 -9.215 8.497 5.654 496 HD2 PHE 76 2HD PHE 76 -8.635 4.560 7.126 497 HE1 PHE 76 1HE PHE 76 -6.730 8.855 5.634 498 HE2 PHE 76 2HE PHE 76 -6.151 4.918 7.107 499 HZ PHE 76 HZ PHE 76 -5.228 7.061 6.360 500 H LEU 77 H LEU 77 -12.716 7.637 3.892 501 HA LEU 77 HA LEU 77 -11.233 8.320 1.684 502 1HB LEU 77 1HB LEU 77 -13.505 9.401 3.186 503 2HB LEU 77 2HB LEU 77 -12.620 10.604 2.231 504 HG LEU 77 HG LEU 77 -13.465 8.026 0.950 505 1HD1 LEU 77 1HD1 LEU 77 -15.290 10.310 1.691 506 2HD1 LEU 77 2HD1 LEU 77 -15.609 9.272 0.280 507 3HD1 LEU 77 3HD1 LEU 77 -15.530 8.559 1.910 508 1HD2 LEU 77 1HD2 LEU 77 -12.164 9.279 -0.500 509 2HD2 LEU 77 2HD2 LEU 77 -13.818 9.741 -0.965 510 3HD2 LEU 77 3HD2 LEU 77 -12.845 10.828 0.054 511 H PHE 78 H PHE 78 -11.127 9.633 5.030 512 HA PHE 78 HA PHE 78 -9.257 10.465 6.015 513 1HB PHE 78 1HB PHE 78 -8.087 9.688 3.765 514 2HB PHE 78 2HB PHE 78 -8.289 11.368 3.253 515 HD1 PHE 78 1HD PHE 78 -7.869 11.783 6.578 516 HD2 PHE 78 2HD PHE 78 -5.638 10.447 3.224 517 HE1 PHE 78 1HE PHE 78 -5.737 12.384 7.757 518 HE2 PHE 78 2HE PHE 78 -3.506 11.048 4.404 519 HZ PHE 78 HZ PHE 78 -3.580 12.009 6.656 520 H ASP 79 H ASP 79 -11.814 11.733 4.625 521 HA ASP 79 HA ASP 79 -11.045 14.412 5.401 522 1HB ASP 79 1HB ASP 79 -11.031 13.993 2.818 523 2HB ASP 79 2HB ASP 79 -12.794 13.959 2.961 524 HD2 ASP 79 HD2 ASP 79 -12.543 17.332 2.342 525 H GLY 80 H GLY 80 -13.582 12.030 4.410 526 1HA GLY 80 1HA GLY 80 -15.537 13.443 6.117 527 2HA GLY 80 2HA GLY 80 -15.927 12.431 4.741 528 H THR 81 H THR 81 -14.975 10.058 4.909 529 HA THR 81 HA THR 81 -14.360 8.907 7.341 530 HB THR 81 HB THR 81 -16.991 9.868 7.407 531 HG1 THR 81 1HG THR 81 -15.599 7.597 8.639 532 1HG2 THR 81 1HG2 THR 81 -17.343 7.697 5.823 533 2HG2 THR 81 2HG2 THR 81 -17.247 6.863 7.392 534 3HG2 THR 81 3HG2 THR 81 -18.497 8.101 7.117 535 H ARG 82 H ARG 82 -15.437 6.408 7.227 536 HA ARG 82 HA ARG 82 -13.981 5.126 5.466 537 1HB ARG 82 1HB ARG 82 -15.448 3.216 5.719 538 2HB ARG 82 2HB ARG 82 -15.530 4.131 7.235 539 1HG ARG 82 1HG ARG 82 -17.519 5.239 5.550 540 2HG ARG 82 2HG ARG 82 -17.655 3.485 5.343 541 1HD ARG 82 1HD ARG 82 -17.279 3.946 8.127 542 2HD ARG 82 2HD ARG 82 -18.472 5.140 7.593 543 HE ARG 82 HE ARG 82 -19.994 3.398 7.225 544 1HH1 ARG 82 1HH1 ARG 82 -16.754 2.060 7.533 545 2HH1 ARG 82 2HH1 ARG 82 -17.296 0.416 7.553 546 1HH2 ARG 82 1HH2 ARG 82 -20.710 1.228 7.251 547 2HH2 ARG 82 2HH2 ARG 82 -19.562 -0.061 7.391 548 H TRP 83 H TRP 83 -14.530 3.906 3.384 549 HA TRP 83 HA TRP 83 -16.720 4.759 1.812 550 1HB TRP 83 1HB TRP 83 -15.980 6.598 0.876 551 2HB TRP 83 2HB TRP 83 -14.489 6.520 1.816 552 HD1 TRP 83 HD TRP 83 -12.289 5.735 0.494 553 HE1 TRP 83 1HE TRP 83 -11.650 5.267 -2.023 554 HE3 TRP 83 3HE TRP 83 -17.065 5.644 -1.246 555 HZ2 TRP 83 2HZ TRP 83 -13.180 4.918 -4.406 556 HZ3 TRP 83 3HZ TRP 83 -17.406 5.234 -3.682 557 HH2 TRP 83 HH TRP 83 -15.559 4.877 -5.244 558 H GLY 84 H GLY 84 -13.345 3.501 2.033 559 1HA GLY 84 1HA GLY 84 -13.836 1.652 -0.175 560 2HA GLY 84 2HA GLY 84 -12.319 1.951 0.651 561 H THR 85 H THR 85 -15.671 0.763 1.438 562 HA THR 85 HA THR 85 -14.425 -1.169 3.268 563 HB THR 85 HB THR 85 -16.311 0.638 3.868 564 HG1 THR 85 1HG THR 85 -16.857 -0.950 5.492 565 1HG2 THR 85 1HG2 THR 85 -17.763 -0.677 1.957 566 2HG2 THR 85 2HG2 THR 85 -18.125 -1.700 3.367 567 3HG2 THR 85 3HG2 THR 85 -18.509 0.038 3.406 568 H VAL 86 H VAL 86 -13.921 -1.886 0.729 569 HA VAL 86 HA VAL 86 -15.113 -4.386 0.559 570 HB VAL 86 HB VAL 86 -16.988 -2.677 -0.169 571 1HG1 VAL 86 1HG1 VAL 86 -16.126 -3.188 -2.943 572 2HG1 VAL 86 2HG1 VAL 86 -16.872 -1.744 -2.216 573 3HG1 VAL 86 3HG1 VAL 86 -15.120 -2.013 -2.061 574 1HG2 VAL 86 1HG2 VAL 86 -17.491 -4.578 -2.058 575 2HG2 VAL 86 2HG2 VAL 86 -16.285 -5.412 -1.049 576 3HG2 VAL 86 3HG2 VAL 86 -17.780 -4.788 -0.314 577 H ASP 87 H ASP 87 -14.961 -4.587 -2.386 578 HA ASP 87 HA ASP 87 -12.322 -5.166 -2.631 579 1HB ASP 87 1HB ASP 87 -13.921 -4.200 -5.008 580 2HB ASP 87 2HB ASP 87 -12.771 -5.545 -4.932 581 HD2 ASP 87 HD2 ASP 87 -15.556 -7.222 -3.091 582 H CYS 88 H CYS 88 -10.748 -3.569 -2.192 583 HA CYS 88 HA CYS 88 -11.054 -0.874 -2.672 584 1HB CYS 88 1HB CYS 88 -8.719 -0.661 -2.290 585 2HB CYS 88 2HB CYS 88 -9.374 -1.874 -1.175 586 H THR 89 H THR 89 -10.210 -3.589 -4.783 587 HA THR 89 HA THR 89 -8.843 -2.323 -6.812 588 HB THR 89 HB THR 89 -9.511 -4.835 -6.375 589 HG1 THR 89 1HG THR 89 -8.367 -3.699 -8.265 590 1HG2 THR 89 1HG2 THR 89 -12.072 -4.021 -6.842 591 2HG2 THR 89 2HG2 THR 89 -11.561 -4.331 -8.519 592 3HG2 THR 89 3HG2 THR 89 -11.489 -5.636 -7.311 593 H THR 90 H THR 90 -12.138 -1.846 -5.775 594 HA THR 90 HA THR 90 -12.959 -0.752 -8.325 595 HB THR 90 HB THR 90 -14.160 -1.603 -5.750 596 HG1 THR 90 1HG THR 90 -15.617 -2.332 -7.340 597 1HG2 THR 90 1HG2 THR 90 -15.492 0.659 -7.316 598 2HG2 THR 90 2HG2 THR 90 -16.067 -0.110 -5.817 599 3HG2 THR 90 3HG2 THR 90 -14.632 0.942 -5.784 600 H ALA 91 H ALA 91 -11.232 0.319 -5.528 601 HA ALA 91 HA ALA 91 -11.707 3.091 -6.389 602 1HB ALA 91 1HB ALA 91 -11.528 1.833 -3.655 603 2HB ALA 91 2HB ALA 91 -11.000 3.517 -3.885 604 3HB ALA 91 3HB ALA 91 -12.673 3.050 -4.269 605 H ALA 92 H ALA 92 -9.760 1.056 -7.387 606 HA ALA 92 HA ALA 92 -7.571 0.755 -7.690 607 1HB ALA 92 1HB ALA 92 -8.200 3.639 -7.916 608 2HB ALA 92 2HB ALA 92 -6.468 3.270 -7.731 609 3HB ALA 92 3HB ALA 92 -7.393 2.549 -9.069 610 H CYS 93 H CYS 93 -6.681 -0.364 -5.977 611 HA CYS 93 HA CYS 93 -6.068 1.134 -3.573 612 1HB CYS 93 1HB CYS 93 -5.157 -1.539 -3.404 613 2HB CYS 93 2HB CYS 93 -6.499 -0.767 -2.543 614 H GLN 94 H GLN 94 -3.797 0.772 -2.614 615 HA GLN 94 HA GLN 94 -1.793 0.109 -4.547 616 1HB GLN 94 1HB GLN 94 -0.686 2.201 -4.627 617 2HB GLN 94 2HB GLN 94 -2.395 2.592 -4.884 618 1HG GLN 94 1HG GLN 94 -2.495 2.965 -2.323 619 2HG GLN 94 2HG GLN 94 -0.725 2.952 -2.365 620 1HE2 GLN 94 1HE2 GLN 94 -1.167 5.142 -1.488 621 2HE2 GLN 94 2HE2 GLN 94 -1.341 6.461 -2.597 622 H VAL 95 H VAL 95 0.320 -0.246 -3.550 623 HA VAL 95 HA VAL 95 0.229 -0.203 -0.617 624 HB VAL 95 HB VAL 95 1.235 -2.431 -2.399 625 1HG1 VAL 95 1HG1 VAL 95 1.170 -3.439 0.147 626 2HG1 VAL 95 2HG1 VAL 95 2.625 -2.816 -0.666 627 3HG1 VAL 95 3HG1 VAL 95 1.704 -1.766 0.438 628 1HG2 VAL 95 1HG2 VAL 95 -0.596 -3.737 -1.669 629 2HG2 VAL 95 2HG2 VAL 95 -1.026 -2.572 -0.393 630 3HG2 VAL 95 3HG2 VAL 95 -1.290 -2.156 -2.103 631 H GLY 96 H GLY 96 1.722 1.261 0.023 632 1HA GLY 96 1HA GLY 96 4.304 1.265 -1.420 633 2HA GLY 96 2HA GLY 96 3.490 2.741 -0.941 634 H LEU 97 H LEU 97 6.021 2.448 0.004 635 HA LEU 97 HA LEU 97 6.002 1.111 2.545 636 1HB LEU 97 1HB LEU 97 8.198 1.247 2.421 637 2HB LEU 97 2HB LEU 97 7.925 1.707 0.731 638 HG LEU 97 HG LEU 97 9.558 3.172 1.712 639 1HD1 LEU 97 1HD1 LEU 97 7.598 5.249 1.803 640 2HD1 LEU 97 2HD1 LEU 97 8.727 4.825 0.494 641 3HD1 LEU 97 3HD1 LEU 97 7.118 4.066 0.561 642 1HD2 LEU 97 1HD2 LEU 97 8.414 2.760 4.093 643 2HD2 LEU 97 2HD2 LEU 97 9.470 4.153 3.755 644 3HD2 LEU 97 3HD2 LEU 97 7.702 4.347 3.717 645 H SER 98 H SER 98 5.779 2.017 4.580 646 HA SER 98 HA SER 98 5.288 4.888 4.589 647 1HB SER 98 1HB SER 98 3.707 3.889 6.651 648 2HB SER 98 2HB SER 98 3.121 4.433 5.069 649 HG SER 98 HG SER 98 3.748 2.062 4.456 650 H ASP 99 H ASP 99 6.438 5.984 6.167 651 HA ASP 99 HA ASP 99 8.020 4.323 7.918 652 1HB ASP 99 1HB ASP 99 8.609 7.051 8.377 653 2HB ASP 99 2HB ASP 99 9.567 5.904 7.428 654 HD2 ASP 99 HD2 ASP 99 9.109 8.069 4.817 655 H ALA 100 H ALA 100 8.404 5.536 10.227 656 HA ALA 100 HA ALA 100 5.753 5.831 11.358 657 1HB ALA 100 1HB ALA 100 6.717 4.935 13.189 658 2HB ALA 100 2HB ALA 100 8.152 4.654 12.175 659 3HB ALA 100 3HB ALA 100 8.037 6.127 13.167 660 H ALA 101 H ALA 101 6.668 7.919 9.526 661 HA ALA 101 HA ALA 101 6.242 10.149 11.278 662 1HB ALA 101 1HB ALA 101 8.656 10.530 9.581 663 2HB ALA 101 2HB ALA 101 8.299 11.134 11.217 664 3HB ALA 101 3HB ALA 101 8.862 9.461 10.989 665 H GLY 102 H GLY 102 7.071 8.850 8.020 666 1HA GLY 102 1HA GLY 102 5.873 11.110 6.673 667 2HA GLY 102 2HA GLY 102 6.561 9.669 5.953 668 H ASN 103 H ASN 103 5.222 7.524 6.729 669 HA ASN 103 HA ASN 103 3.419 6.446 6.059 670 1HB ASN 103 1HB ASN 103 3.136 7.291 8.571 671 2HB ASN 103 2HB ASN 103 1.797 8.233 7.898 672 1HD2 ASN 103 1HD2 ASN 103 -0.009 7.261 8.418 673 2HD2 ASN 103 2HD2 ASN 103 -0.378 5.578 8.247 674 H GLY 104 H GLY 104 0.575 7.457 6.292 675 1HA GLY 104 1HA GLY 104 -0.956 8.714 5.192 676 2HA GLY 104 2HA GLY 104 0.319 9.778 4.631 677 HA PRO 105 HA PRO 105 -0.863 7.582 0.922 678 1HB PRO 105 1HB PRO 105 -0.566 9.692 -0.786 679 2HB PRO 105 2HB PRO 105 -2.090 9.304 0.010 680 1HG PRO 105 1HG PRO 105 -0.123 11.420 0.608 681 2HG PRO 105 2HG PRO 105 -1.856 11.330 1.088 682 1HD PRO 105 1HD PRO 105 0.466 10.866 2.700 683 2HD PRO 105 2HD PRO 105 -1.217 10.609 3.176 684 H GLU 106 H GLU 106 0.370 6.314 -0.346 685 HA GLU 106 HA GLU 106 3.112 7.292 -0.567 686 1HB GLU 106 1HB GLU 106 2.573 5.202 0.902 687 2HB GLU 106 2HB GLU 106 2.380 4.352 -0.641 688 1HG GLU 106 1HG GLU 106 4.678 4.119 0.236 689 2HG GLU 106 2HG GLU 106 4.682 5.012 -1.293 690 HE2 GLU 106 HE2 GLU 106 5.032 7.414 1.857 691 H GLY 107 H GLY 107 1.094 4.668 -2.084 692 1HA GLY 107 1HA GLY 107 0.345 5.414 -4.424 693 2HA GLY 107 2HA GLY 107 2.066 5.580 -4.712 694 H VAL 108 H VAL 108 2.167 3.912 -6.295 695 HA VAL 108 HA VAL 108 2.683 1.835 -6.904 696 HB VAL 108 HB VAL 108 2.011 0.927 -4.103 697 1HG1 VAL 108 1HG1 VAL 108 2.284 -0.760 -6.014 698 2HG1 VAL 108 2HG1 VAL 108 4.001 -0.290 -6.026 699 3HG1 VAL 108 3HG1 VAL 108 3.284 -1.004 -4.562 700 1HG2 VAL 108 1HG2 VAL 108 3.669 2.809 -4.130 701 2HG2 VAL 108 2HG2 VAL 108 4.308 1.279 -3.484 702 3HG2 VAL 108 3HG2 VAL 108 4.729 1.793 -5.135 703 H ALA 109 H ALA 109 0.624 2.451 -8.114 704 HA ALA 109 HA ALA 109 -1.856 1.475 -7.231 705 1HB ALA 109 1HB ALA 109 -0.811 2.984 -9.376 706 2HB ALA 109 2HB ALA 109 -1.588 1.568 -10.124 707 3HB ALA 109 3HB ALA 109 -2.524 2.628 -9.042 708 H ILE 110 H ILE 110 -2.202 -0.641 -6.736 709 HA ILE 110 HA ILE 110 -1.008 -2.622 -8.541 710 HB ILE 110 HB ILE 110 -1.855 -2.806 -5.651 711 1HG1 ILE 110 1HG1 ILE 110 0.848 -3.609 -6.310 712 2HG1 ILE 110 2HG1 ILE 110 0.537 -1.938 -6.816 713 1HG2 ILE 110 1HG2 ILE 110 -0.720 -5.146 -5.955 714 2HG2 ILE 110 2HG2 ILE 110 -2.433 -4.911 -6.380 715 3HG2 ILE 110 3HG2 ILE 110 -1.193 -4.933 -7.658 716 1HD1 ILE 110 1HD1 ILE 110 1.206 -1.649 -4.588 717 2HD1 ILE 110 2HD1 ILE 110 -0.562 -1.740 -4.410 718 3HD1 ILE 110 3HD1 ILE 110 0.441 -3.166 -4.056 719 H SER 111 H SER 111 -2.322 -4.371 -9.313 720 HA SER 111 HA SER 111 -5.100 -3.568 -9.452 721 1HB SER 111 1HB SER 111 -3.269 -4.525 -11.348 722 2HB SER 111 2HB SER 111 -4.352 -5.898 -11.069 723 HG SER 111 HG SER 111 -5.538 -3.334 -11.407 724 H PHE 112 H PHE 112 -6.238 -4.396 -7.707 725 HA PHE 112 HA PHE 112 -5.580 -7.064 -6.780 726 1HB PHE 112 1HB PHE 112 -7.650 -4.973 -5.894 727 2HB PHE 112 2HB PHE 112 -7.168 -6.386 -4.950 728 HD1 PHE 112 1HD PHE 112 -5.607 -3.410 -6.590 729 HD2 PHE 112 2HD PHE 112 -5.642 -6.042 -3.262 730 HE1 PHE 112 1HE PHE 112 -3.811 -2.044 -5.491 731 HE2 PHE 112 2HE PHE 112 -3.846 -4.675 -2.162 732 HZ PHE 112 HZ PHE 112 -2.952 -2.692 -3.291 733 H ASN 113 H ASN 113 -6.798 -8.874 -7.172 734 HA ASN 113 HA ASN 113 -8.267 -10.150 -8.136 735 1HB ASN 113 1HB ASN 113 -9.693 -9.292 -6.287 736 2HB ASN 113 2HB ASN 113 -10.229 -7.946 -7.305 737 1HD2 ASN 113 1HD2 ASN 113 -11.430 -8.415 -9.220 738 2HD2 ASN 113 2HD2 ASN 113 -12.427 -9.827 -9.327 Start of MODEL 36 1 H ALA 1 H ALA 1 14.259 1.013 -6.023 2 HA ALA 1 HA ALA 1 13.217 2.674 -8.000 3 1HB ALA 1 1HB ALA 1 11.379 2.219 -5.615 4 2HB ALA 1 2HB ALA 1 11.201 3.526 -6.810 5 3HB ALA 1 3HB ALA 1 11.026 1.828 -7.315 6 H ALA 2 H ALA 2 12.174 3.983 -5.059 7 HA ALA 2 HA ALA 2 14.291 4.501 -3.514 8 1HB ALA 2 1HB ALA 2 15.842 5.487 -4.827 9 2HB ALA 2 2HB ALA 2 14.685 5.710 -6.161 10 3HB ALA 2 3HB ALA 2 14.766 6.904 -4.844 11 HA PRO 3 HA PRO 3 11.146 8.035 -3.427 12 1HB PRO 3 1HB PRO 3 9.314 8.285 -5.436 13 2HB PRO 3 2HB PRO 3 10.821 9.198 -5.388 14 1HG PRO 3 1HG PRO 3 10.080 6.849 -7.011 15 2HG PRO 3 2HG PRO 3 11.395 8.044 -7.300 16 1HD PRO 3 1HD PRO 3 11.610 5.362 -6.317 17 2HD PRO 3 2HD PRO 3 12.914 6.552 -6.434 18 H THR 4 H THR 4 10.750 4.884 -3.643 19 HA THR 4 HA THR 4 8.960 4.527 -1.711 20 HB THR 4 HB THR 4 7.144 5.727 -2.604 21 HG1 THR 4 1HG THR 4 5.749 4.005 -3.254 22 1HG2 THR 4 1HG2 THR 4 8.507 5.239 -5.149 23 2HG2 THR 4 2HG2 THR 4 6.781 4.822 -5.279 24 3HG2 THR 4 3HG2 THR 4 7.266 6.457 -4.767 25 H ALA 5 H ALA 5 7.556 2.354 -2.084 26 HA ALA 5 HA ALA 5 9.472 0.543 -3.370 27 1HB ALA 5 1HB ALA 5 8.976 -1.007 -1.710 28 2HB ALA 5 2HB ALA 5 8.797 0.520 -0.812 29 3HB ALA 5 3HB ALA 5 7.356 -0.330 -1.414 30 H THR 6 H THR 6 8.265 -1.616 -4.087 31 HA THR 6 HA THR 6 5.617 -1.135 -5.131 32 HB THR 6 HB THR 6 6.243 -1.229 -7.465 33 HG1 THR 6 1HG THR 6 8.820 -1.865 -6.221 34 1HG2 THR 6 1HG2 THR 6 6.772 1.022 -6.452 35 2HG2 THR 6 2HG2 THR 6 8.409 0.436 -6.075 36 3HG2 THR 6 3HG2 THR 6 7.891 0.600 -7.770 37 H VAL 7 H VAL 7 4.643 -3.078 -6.049 38 HA VAL 7 HA VAL 7 5.783 -5.417 -4.744 39 HB VAL 7 HB VAL 7 3.125 -5.257 -6.137 40 1HG1 VAL 7 1HG1 VAL 7 2.770 -7.257 -5.207 41 2HG1 VAL 7 2HG1 VAL 7 4.480 -7.260 -4.713 42 3HG1 VAL 7 3HG1 VAL 7 3.232 -6.657 -3.597 43 1HG2 VAL 7 1HG2 VAL 7 3.869 -4.094 -3.446 44 2HG2 VAL 7 2HG2 VAL 7 2.986 -3.328 -4.788 45 3HG2 VAL 7 3HG2 VAL 7 2.210 -4.611 -3.829 46 H THR 8 H THR 8 6.574 -7.190 -5.836 47 HA THR 8 HA THR 8 7.715 -7.024 -8.245 48 HB THR 8 HB THR 8 6.670 -9.189 -6.492 49 HG1 THR 8 1HG THR 8 8.892 -8.229 -6.696 50 1HG2 THR 8 1HG2 THR 8 5.889 -10.425 -8.321 51 2HG2 THR 8 2HG2 THR 8 6.883 -9.517 -9.484 52 3HG2 THR 8 3HG2 THR 8 7.629 -10.773 -8.467 53 HA PRO 9 HA PRO 9 3.846 -8.298 -10.566 54 1HB PRO 9 1HB PRO 9 1.473 -8.660 -9.260 55 2HB PRO 9 2HB PRO 9 2.574 -9.982 -9.643 56 1HG PRO 9 1HG PRO 9 2.077 -8.609 -7.077 57 2HG PRO 9 2HG PRO 9 2.813 -10.227 -7.362 58 1HD PRO 9 1HD PRO 9 4.116 -7.779 -6.646 59 2HD PRO 9 2HD PRO 9 4.899 -9.307 -7.068 60 H SER 10 H SER 10 1.312 -7.406 -10.927 61 HA SER 10 HA SER 10 1.255 -4.726 -9.934 62 1HB SER 10 1HB SER 10 2.638 -5.098 -12.275 63 2HB SER 10 2HB SER 10 1.010 -4.771 -12.896 64 HG SER 10 HG SER 10 1.105 -2.725 -12.163 65 H SER 11 H SER 11 -0.287 -7.405 -10.068 66 HA SER 11 HA SER 11 -2.812 -6.300 -10.159 67 1HB SER 11 1HB SER 11 -3.777 -7.186 -12.169 68 2HB SER 11 2HB SER 11 -2.322 -6.295 -12.651 69 HG SER 11 HG SER 11 -1.231 -8.481 -12.542 70 H GLY 12 H GLY 12 -2.053 -7.623 -8.125 71 1HA GLY 12 1HA GLY 12 -1.733 -10.341 -8.052 72 2HA GLY 12 2HA GLY 12 -2.492 -9.385 -6.795 73 H LEU 13 H LEU 13 -4.690 -8.453 -8.685 74 HA LEU 13 HA LEU 13 -6.815 -9.046 -8.953 75 1HB LEU 13 1HB LEU 13 -5.669 -11.499 -10.263 76 2HB LEU 13 2HB LEU 13 -7.197 -10.682 -10.631 77 HG LEU 13 HG LEU 13 -4.875 -8.933 -10.938 78 1HD1 LEU 13 1HD1 LEU 13 -3.771 -9.961 -12.741 79 2HD1 LEU 13 2HD1 LEU 13 -3.916 -11.228 -11.500 80 3HD1 LEU 13 3HD1 LEU 13 -5.015 -11.223 -12.899 81 1HD2 LEU 13 1HD2 LEU 13 -5.979 -8.764 -13.276 82 2HD2 LEU 13 2HD2 LEU 13 -7.288 -9.728 -12.550 83 3HD2 LEU 13 3HD2 LEU 13 -6.856 -8.146 -11.856 84 H SER 14 H SER 14 -5.293 -10.095 -6.490 85 HA SER 14 HA SER 14 -7.401 -11.944 -5.760 86 1HB SER 14 1HB SER 14 -4.790 -12.799 -6.284 87 2HB SER 14 2HB SER 14 -4.839 -12.672 -4.518 88 HG SER 14 HG SER 14 -7.076 -13.871 -5.009 89 H ASP 15 H ASP 15 -8.416 -11.008 -4.028 90 HA ASP 15 HA ASP 15 -7.369 -8.854 -2.683 91 1HB ASP 15 1HB ASP 15 -9.233 -9.158 -1.123 92 2HB ASP 15 2HB ASP 15 -9.788 -9.470 -2.775 93 HD2 ASP 15 HD2 ASP 15 -10.404 -12.171 -0.099 94 H GLY 16 H GLY 16 -5.299 -9.228 -1.721 95 1HA GLY 16 1HA GLY 16 -4.348 -9.691 0.420 96 2HA GLY 16 2HA GLY 16 -5.281 -11.173 0.500 97 H THR 17 H THR 17 -3.658 -10.055 -2.488 98 HA THR 17 HA THR 17 -2.238 -12.537 -2.660 99 HB THR 17 HB THR 17 -3.102 -11.614 -4.704 100 HG1 THR 17 1HG THR 17 -0.721 -12.278 -4.550 101 1HG2 THR 17 1HG2 THR 17 -3.373 -9.363 -4.976 102 2HG2 THR 17 2HG2 THR 17 -2.493 -9.071 -3.456 103 3HG2 THR 17 3HG2 THR 17 -1.603 -9.171 -4.994 104 H VAL 18 H VAL 18 -0.706 -12.831 -1.099 105 HA VAL 18 HA VAL 18 1.083 -10.657 -0.478 106 HB VAL 18 HB VAL 18 1.218 -13.527 0.442 107 1HG1 VAL 18 1HG1 VAL 18 3.147 -12.518 1.207 108 2HG1 VAL 18 2HG1 VAL 18 2.387 -10.914 1.347 109 3HG1 VAL 18 3HG1 VAL 18 2.035 -12.174 2.554 110 1HG2 VAL 18 1HG2 VAL 18 -0.822 -13.254 1.333 111 2HG2 VAL 18 2HG2 VAL 18 -0.047 -12.121 2.465 112 3HG2 VAL 18 3HG2 VAL 18 -0.832 -11.507 0.990 113 H VAL 19 H VAL 19 2.766 -10.166 -1.778 114 HA VAL 19 HA VAL 19 4.255 -12.410 -2.918 115 HB VAL 19 HB VAL 19 4.330 -11.449 -5.068 116 1HG1 VAL 19 1HG1 VAL 19 1.901 -11.282 -5.702 117 2HG1 VAL 19 2HG1 VAL 19 2.320 -12.720 -4.741 118 3HG1 VAL 19 3HG1 VAL 19 1.504 -11.340 -3.969 119 1HG2 VAL 19 1HG2 VAL 19 3.492 -8.991 -3.664 120 2HG2 VAL 19 2HG2 VAL 19 4.500 -9.201 -5.116 121 3HG2 VAL 19 3HG2 VAL 19 2.725 -9.239 -5.251 122 H LYS 20 H LYS 20 6.409 -11.401 -3.937 123 HA LYS 20 HA LYS 20 7.713 -10.162 -1.757 124 1HB LYS 20 1HB LYS 20 8.398 -11.474 -4.224 125 2HB LYS 20 2HB LYS 20 9.354 -9.993 -4.042 126 1HG LYS 20 1HG LYS 20 10.317 -10.724 -2.025 127 2HG LYS 20 2HG LYS 20 9.023 -11.891 -1.703 128 1HD LYS 20 1HD LYS 20 10.362 -13.475 -2.585 129 2HD LYS 20 2HD LYS 20 10.144 -12.704 -4.166 130 1HE LYS 20 1HE LYS 20 12.418 -12.504 -4.086 131 2HE LYS 20 2HE LYS 20 12.078 -11.089 -3.079 132 1HZ LYS 20 1HZ LYS 20 12.702 -12.195 -1.242 133 2HZ LYS 20 2HZ LYS 20 12.188 -13.655 -1.761 134 3HZ LYS 20 3HZ LYS 20 13.607 -13.051 -2.299 135 H VAL 21 H VAL 21 8.802 -8.070 -1.737 136 HA VAL 21 HA VAL 21 7.938 -6.162 -3.730 137 HB VAL 21 HB VAL 21 7.254 -5.774 -0.811 138 1HG1 VAL 21 1HG1 VAL 21 7.773 -3.817 -2.544 139 2HG1 VAL 21 2HG1 VAL 21 6.088 -4.131 -3.022 140 3HG1 VAL 21 3HG1 VAL 21 6.468 -3.687 -1.341 141 1HG2 VAL 21 1HG2 VAL 21 5.828 -7.516 -1.766 142 2HG2 VAL 21 2HG2 VAL 21 4.897 -6.023 -1.493 143 3HG2 VAL 21 3HG2 VAL 21 5.422 -6.457 -3.138 144 H ALA 22 H ALA 22 9.299 -4.304 -3.798 145 HA ALA 22 HA ALA 22 11.415 -4.172 -1.809 146 1HB ALA 22 1HB ALA 22 12.372 -4.013 -4.614 147 2HB ALA 22 2HB ALA 22 13.127 -4.760 -3.186 148 3HB ALA 22 3HB ALA 22 11.860 -5.633 -4.080 149 H GLY 23 H GLY 23 12.626 -2.094 -1.973 150 1HA GLY 23 1HA GLY 23 12.857 0.077 -2.796 151 2HA GLY 23 2HA GLY 23 11.314 -0.051 -3.617 152 H ALA 24 H ALA 24 11.318 2.213 -2.390 153 HA ALA 24 HA ALA 24 9.307 2.502 -0.777 154 1HB ALA 24 1HB ALA 24 10.437 2.424 1.605 155 2HB ALA 24 2HB ALA 24 9.789 0.935 0.878 156 3HB ALA 24 3HB ALA 24 11.538 1.263 0.826 157 H GLY 25 H GLY 25 10.424 4.088 1.451 158 1HA GLY 25 1HA GLY 25 10.933 6.487 0.048 159 2HA GLY 25 2HA GLY 25 11.057 6.223 1.777 160 H LEU 26 H LEU 26 12.946 3.820 0.408 161 HA LEU 26 HA LEU 26 15.143 3.494 0.498 162 1HB LEU 26 1HB LEU 26 15.038 4.172 -1.718 163 2HB LEU 26 2HB LEU 26 14.853 5.884 -1.298 164 HG LEU 26 HG LEU 26 17.297 5.376 -0.238 165 1HD1 LEU 26 1HD1 LEU 26 17.817 3.251 -0.867 166 2HD1 LEU 26 2HD1 LEU 26 16.820 3.317 -2.340 167 3HD1 LEU 26 3HD1 LEU 26 18.407 4.120 -2.303 168 1HD2 LEU 26 1HD2 LEU 26 16.218 6.722 -2.537 169 2HD2 LEU 26 2HD2 LEU 26 17.642 7.130 -1.549 170 3HD2 LEU 26 3HD2 LEU 26 17.808 6.028 -2.937 171 H GLN 27 H GLN 27 14.989 3.943 2.891 172 HA GLN 27 HA GLN 27 15.929 6.514 3.697 173 1HB GLN 27 1HB GLN 27 14.300 5.401 5.091 174 2HB GLN 27 2HB GLN 27 15.316 3.956 5.234 175 1HG GLN 27 1HG GLN 27 15.933 4.948 7.203 176 2HG GLN 27 2HG GLN 27 17.055 5.839 6.162 177 1HE2 GLN 27 1HE2 GLN 27 16.918 7.967 6.044 178 2HE2 GLN 27 2HE2 GLN 27 15.663 8.956 6.714 179 H ALA 28 H ALA 28 17.181 3.642 5.347 180 HA ALA 28 HA ALA 28 19.494 3.061 4.151 181 1HB ALA 28 1HB ALA 28 20.626 5.015 3.985 182 2HB ALA 28 2HB ALA 28 19.563 5.833 5.155 183 3HB ALA 28 3HB ALA 28 20.914 4.829 5.732 184 H GLY 29 H GLY 29 17.782 1.699 5.737 185 1HA GLY 29 1HA GLY 29 18.184 0.080 7.344 186 2HA GLY 29 2HA GLY 29 19.464 1.053 8.037 187 H THR 30 H THR 30 15.873 1.024 7.533 188 HA THR 30 HA THR 30 15.480 1.741 10.289 189 HB THR 30 HB THR 30 15.966 3.919 8.880 190 HG1 THR 30 1HG THR 30 14.252 4.883 10.233 191 1HG2 THR 30 1HG2 THR 30 14.303 3.266 7.030 192 2HG2 THR 30 2HG2 THR 30 13.010 3.462 8.239 193 3HG2 THR 30 3HG2 THR 30 14.010 4.858 7.772 194 H ALA 31 H ALA 31 13.114 1.786 10.845 195 HA ALA 31 HA ALA 31 11.910 -0.496 9.731 196 1HB ALA 31 1HB ALA 31 9.966 1.037 11.112 197 2HB ALA 31 2HB ALA 31 10.930 -0.319 11.745 198 3HB ALA 31 3HB ALA 31 11.517 1.352 11.926 199 H TYR 32 H TYR 32 9.854 -0.635 8.562 200 HA TYR 32 HA TYR 32 8.993 1.794 7.226 201 1HB TYR 32 1HB TYR 32 10.524 -0.551 6.109 202 2HB TYR 32 2HB TYR 32 9.147 -0.031 5.132 203 HD1 TYR 32 1HD TYR 32 9.079 2.406 4.358 204 HD2 TYR 32 2HD TYR 32 12.576 0.598 6.033 205 HE1 TYR 32 1HE TYR 32 10.521 4.234 3.336 206 HE2 TYR 32 2HE TYR 32 14.007 2.432 5.006 207 HH TYR 32 HH TYR 32 12.503 5.109 3.230 208 H ASP 33 H ASP 33 7.140 1.283 8.680 209 HA ASP 33 HA ASP 33 5.781 -1.086 8.583 210 1HB ASP 33 1HB ASP 33 4.321 1.556 8.752 211 2HB ASP 33 2HB ASP 33 4.014 0.071 9.663 212 HD2 ASP 33 HD2 ASP 33 5.833 2.730 11.572 213 H VAL 34 H VAL 34 4.678 -2.058 6.874 214 HA VAL 34 HA VAL 34 4.439 -0.879 4.381 215 HB VAL 34 HB VAL 34 3.110 -3.226 5.719 216 1HG1 VAL 34 1HG1 VAL 34 1.500 -2.543 4.087 217 2HG1 VAL 34 2HG1 VAL 34 2.764 -2.255 2.867 218 3HG1 VAL 34 3HG1 VAL 34 2.397 -3.915 3.397 219 1HG2 VAL 34 1HG2 VAL 34 5.387 -3.678 5.348 220 2HG2 VAL 34 2HG2 VAL 34 4.559 -4.425 3.960 221 3HG2 VAL 34 3HG2 VAL 34 5.386 -2.861 3.766 222 H GLY 35 H GLY 35 2.377 -0.400 3.173 223 1HA GLY 35 1HA GLY 35 0.180 0.535 4.862 224 2HA GLY 35 2HA GLY 35 1.045 1.739 3.925 225 H GLN 36 H GLN 36 -1.761 1.019 3.597 226 HA GLN 36 HA GLN 36 -1.619 0.372 0.802 227 1HB GLN 36 1HB GLN 36 -2.765 -1.436 2.861 228 2HB GLN 36 2HB GLN 36 -3.794 -1.169 1.442 229 1HG GLN 36 1HG GLN 36 -1.225 -1.551 0.379 230 2HG GLN 36 2HG GLN 36 -1.310 -2.720 1.704 231 1HE2 GLN 36 1HE2 GLN 36 -3.396 -1.384 -0.863 232 2HE2 GLN 36 2HE2 GLN 36 -4.061 -2.888 -1.409 233 H CYS 37 H CYS 37 -2.840 1.877 -0.251 234 HA CYS 37 HA CYS 37 -5.192 2.882 1.168 235 1HB CYS 37 1HB CYS 37 -3.408 4.612 -0.522 236 2HB CYS 37 2HB CYS 37 -4.756 5.119 0.513 237 H ALA 38 H ALA 38 -6.602 4.172 -0.604 238 HA ALA 38 HA ALA 38 -6.357 2.871 -3.205 239 1HB ALA 38 1HB ALA 38 -7.850 1.406 -1.984 240 2HB ALA 38 2HB ALA 38 -8.799 2.791 -1.390 241 3HB ALA 38 3HB ALA 38 -8.825 2.370 -3.120 242 H TRP 39 H TRP 39 -7.556 4.026 -4.901 243 HA TRP 39 HA TRP 39 -7.506 6.851 -4.402 244 1HB TRP 39 1HB TRP 39 -7.220 5.126 -6.623 245 2HB TRP 39 2HB TRP 39 -8.601 6.173 -6.958 246 HD1 TRP 39 HD TRP 39 -7.082 8.684 -5.225 247 HE1 TRP 39 1HE TRP 39 -5.256 10.137 -6.455 248 HE3 TRP 39 3HE TRP 39 -6.119 5.307 -8.902 249 HZ2 TRP 39 2HZ TRP 39 -3.648 9.720 -8.777 250 HZ3 TRP 39 3HZ TRP 39 -4.407 5.908 -10.612 251 HH2 TRP 39 HH TRP 39 -3.190 8.027 -10.589 252 H VAL 40 H VAL 40 -9.295 8.221 -4.203 253 HA VAL 40 HA VAL 40 -11.877 6.833 -4.026 254 HB VAL 40 HB VAL 40 -10.877 9.340 -2.661 255 1HG1 VAL 40 1HG1 VAL 40 -13.128 8.634 -1.310 256 2HG1 VAL 40 2HG1 VAL 40 -13.087 9.832 -2.626 257 3HG1 VAL 40 3HG1 VAL 40 -13.577 8.154 -2.964 258 1HG2 VAL 40 1HG2 VAL 40 -10.060 8.004 -1.075 259 2HG2 VAL 40 2HG2 VAL 40 -11.674 7.298 -0.831 260 3HG2 VAL 40 3HG2 VAL 40 -10.555 6.574 -2.011 261 H ASP 41 H ASP 41 -11.798 10.317 -3.963 262 HA ASP 41 HA ASP 41 -11.979 10.657 -6.756 263 1HB ASP 41 1HB ASP 41 -14.424 10.179 -5.173 264 2HB ASP 41 2HB ASP 41 -14.483 11.703 -6.073 265 HD2 ASP 41 HD2 ASP 41 -15.452 8.558 -7.971 266 H THR 42 H THR 42 -11.387 12.822 -7.125 267 HA THR 42 HA THR 42 -10.925 14.963 -6.743 268 HB THR 42 HB THR 42 -13.349 14.483 -5.002 269 HG1 THR 42 1HG THR 42 -12.468 16.311 -7.127 270 1HG2 THR 42 1HG2 THR 42 -12.180 16.114 -3.610 271 2HG2 THR 42 2HG2 THR 42 -11.626 17.012 -5.043 272 3HG2 THR 42 3HG2 THR 42 -13.350 17.017 -4.602 273 H GLY 43 H GLY 43 -8.781 14.594 -6.152 274 1HA GLY 43 1HA GLY 43 -7.049 14.205 -4.702 275 2HA GLY 43 2HA GLY 43 -7.697 15.685 -4.025 276 H VAL 44 H VAL 44 -9.108 12.346 -4.012 277 HA VAL 44 HA VAL 44 -8.816 12.372 -1.091 278 HB VAL 44 HB VAL 44 -11.230 11.682 -2.766 279 1HG1 VAL 44 1HG1 VAL 44 -12.257 10.599 -0.992 280 2HG1 VAL 44 2HG1 VAL 44 -10.578 10.028 -0.838 281 3HG1 VAL 44 3HG1 VAL 44 -11.176 11.328 0.221 282 1HG2 VAL 44 1HG2 VAL 44 -11.689 13.312 -0.414 283 2HG2 VAL 44 2HG2 VAL 44 -10.438 14.038 -1.450 284 3HG2 VAL 44 3HG2 VAL 44 -12.040 13.660 -2.123 285 H LEU 45 H LEU 45 -7.999 10.503 -0.215 286 HA LEU 45 HA LEU 45 -7.927 8.157 -1.961 287 1HB LEU 45 1HB LEU 45 -5.821 9.413 -2.174 288 2HB LEU 45 2HB LEU 45 -5.549 9.222 -0.433 289 HG LEU 45 HG LEU 45 -5.901 6.633 -1.186 290 1HD1 LEU 45 1HD1 LEU 45 -4.118 6.865 -3.304 291 2HD1 LEU 45 2HD1 LEU 45 -5.839 6.419 -3.401 292 3HD1 LEU 45 3HD1 LEU 45 -5.343 8.113 -3.630 293 1HD2 LEU 45 1HD2 LEU 45 -3.268 6.706 -1.391 294 2HD2 LEU 45 2HD2 LEU 45 -3.500 8.378 -0.827 295 3HD2 LEU 45 3HD2 LEU 45 -4.090 7.017 0.157 296 H ALA 46 H ALA 46 -8.625 6.351 -0.934 297 HA ALA 46 HA ALA 46 -9.223 6.596 1.885 298 1HB ALA 46 1HB ALA 46 -9.750 4.046 0.469 299 2HB ALA 46 2HB ALA 46 -10.838 5.059 1.449 300 3HB ALA 46 3HB ALA 46 -10.525 5.476 -0.253 301 H CYS 47 H CYS 47 -7.236 6.518 2.984 302 HA CYS 47 HA CYS 47 -5.345 4.483 2.314 303 1HB CYS 47 1HB CYS 47 -5.472 6.836 4.036 304 2HB CYS 47 2HB CYS 47 -4.578 5.487 4.760 305 H ASN 48 H ASN 48 -4.796 2.654 3.688 306 HA ASN 48 HA ASN 48 -6.995 1.955 5.466 307 1HB ASN 48 1HB ASN 48 -6.635 0.482 3.445 308 2HB ASN 48 2HB ASN 48 -5.017 0.096 4.046 309 1HD2 ASN 48 1HD2 ASN 48 -8.403 -0.440 4.286 310 2HD2 ASN 48 2HD2 ASN 48 -8.398 -1.676 5.498 311 HA PRO 49 HA PRO 49 -3.453 2.347 8.217 312 1HB PRO 49 1HB PRO 49 -4.861 3.083 10.439 313 2HB PRO 49 2HB PRO 49 -4.215 4.242 9.279 314 1HG PRO 49 1HG PRO 49 -6.978 3.282 9.661 315 2HG PRO 49 2HG PRO 49 -6.413 4.778 8.834 316 1HD PRO 49 1HD PRO 49 -7.378 2.351 7.661 317 2HD PRO 49 2HD PRO 49 -6.685 3.735 6.803 318 H ALA 50 H ALA 50 -4.708 -0.109 7.433 319 HA ALA 50 HA ALA 50 -4.461 -1.463 10.031 320 1HB ALA 50 1HB ALA 50 -6.729 -1.315 8.320 321 2HB ALA 50 2HB ALA 50 -6.064 -2.958 8.150 322 3HB ALA 50 3HB ALA 50 -6.510 -2.341 9.758 323 H ASP 51 H ASP 51 -2.995 -0.800 7.135 324 HA ASP 51 HA ASP 51 -2.363 -2.996 5.845 325 1HB ASP 51 1HB ASP 51 0.071 -2.056 5.803 326 2HB ASP 51 2HB ASP 51 -1.233 -1.041 5.167 327 HD2 ASP 51 HD2 ASP 51 0.601 0.072 8.518 328 H PHE 52 H PHE 52 -1.103 -1.989 9.081 329 HA PHE 52 HA PHE 52 -0.100 -3.093 10.703 330 1HB PHE 52 1HB PHE 52 -1.073 -5.477 9.028 331 2HB PHE 52 2HB PHE 52 -0.421 -5.653 10.660 332 HD1 PHE 52 1HD PHE 52 -3.229 -6.364 9.471 333 HD2 PHE 52 2HD PHE 52 -1.760 -3.114 11.770 334 HE1 PHE 52 1HE PHE 52 -5.526 -5.992 10.411 335 HE2 PHE 52 2HE PHE 52 -4.057 -2.742 12.711 336 HZ PHE 52 HZ PHE 52 -5.913 -4.184 12.020 337 H SER 53 H SER 53 0.503 -5.055 7.694 338 HA SER 53 HA SER 53 2.809 -6.140 8.140 339 1HB SER 53 1HB SER 53 1.739 -4.700 5.751 340 2HB SER 53 2HB SER 53 3.444 -5.179 5.687 341 HG SER 53 HG SER 53 2.082 -7.294 6.632 342 H SER 54 H SER 54 5.093 -5.621 8.130 343 HA SER 54 HA SER 54 5.855 -2.893 7.877 344 1HB SER 54 1HB SER 54 6.861 -2.771 10.180 345 2HB SER 54 2HB SER 54 5.089 -2.775 10.176 346 HG SER 54 HG SER 54 5.911 -4.211 11.791 347 H VAL 55 H VAL 55 8.085 -2.733 7.385 348 HA VAL 55 HA VAL 55 9.694 -5.131 7.795 349 HB VAL 55 HB VAL 55 8.504 -4.975 5.480 350 1HG1 VAL 55 1HG1 VAL 55 9.148 -3.422 3.981 351 2HG1 VAL 55 2HG1 VAL 55 9.711 -2.512 5.404 352 3HG1 VAL 55 3HG1 VAL 55 10.856 -3.510 4.475 353 1HG2 VAL 55 1HG2 VAL 55 11.218 -5.829 6.263 354 2HG2 VAL 55 2HG2 VAL 55 9.924 -6.725 5.432 355 3HG2 VAL 55 3HG2 VAL 55 10.981 -5.629 4.510 356 H THR 56 H THR 56 11.880 -4.034 6.152 357 HA THR 56 HA THR 56 12.444 -1.454 7.359 358 HB THR 56 HB THR 56 13.669 -4.082 8.190 359 HG1 THR 56 1HG THR 56 12.681 -3.064 9.900 360 1HG2 THR 56 1HG2 THR 56 15.643 -2.918 7.242 361 2HG2 THR 56 2HG2 THR 56 15.160 -1.408 8.051 362 3HG2 THR 56 3HG2 THR 56 15.684 -2.808 9.017 363 H ALA 57 H ALA 57 14.460 -0.482 6.485 364 HA ALA 57 HA ALA 57 14.501 -0.857 3.681 365 1HB ALA 57 1HB ALA 57 15.465 1.022 5.666 366 2HB ALA 57 2HB ALA 57 16.754 0.653 4.496 367 3HB ALA 57 3HB ALA 57 15.185 1.269 3.926 368 H ASP 58 H ASP 58 16.976 -0.857 2.701 369 HA ASP 58 HA ASP 58 18.354 -3.059 4.002 370 1HB ASP 58 1HB ASP 58 18.756 -4.072 1.747 371 2HB ASP 58 2HB ASP 58 17.049 -4.089 2.215 372 HD2 ASP 58 HD2 ASP 58 16.993 -3.006 -1.152 373 H ALA 59 H ALA 59 20.622 -2.745 3.970 374 HA ALA 59 HA ALA 59 22.041 -0.714 3.904 375 1HB ALA 59 1HB ALA 59 22.898 -2.630 1.734 376 2HB ALA 59 2HB ALA 59 23.872 -1.865 3.013 377 3HB ALA 59 3HB ALA 59 22.756 -3.191 3.417 378 H ASN 60 H ASN 60 20.613 1.003 3.023 379 HA ASN 60 HA ASN 60 21.573 2.377 1.049 380 1HB ASN 60 1HB ASN 60 21.405 0.723 -0.665 381 2HB ASN 60 2HB ASN 60 19.788 0.219 -0.153 382 1HD2 ASN 60 1HD2 ASN 60 18.749 0.533 -2.040 383 2HD2 ASN 60 2HD2 ASN 60 18.503 2.070 -2.798 384 H GLY 61 H GLY 61 18.550 0.851 2.245 385 1HA GLY 61 1HA GLY 61 17.086 2.337 3.513 386 2HA GLY 61 2HA GLY 61 17.250 3.510 2.222 387 H SER 62 H SER 62 17.307 0.726 0.497 388 HA SER 62 HA SER 62 14.588 1.028 -0.242 389 1HB SER 62 1HB SER 62 15.633 0.427 -2.149 390 2HB SER 62 2HB SER 62 17.004 -0.293 -1.284 391 HG SER 62 HG SER 62 15.730 -2.216 -0.988 392 H ALA 63 H ALA 63 12.845 -0.389 0.153 393 HA ALA 63 HA ALA 63 13.233 -2.190 2.371 394 1HB ALA 63 1HB ALA 63 10.628 -1.951 0.916 395 2HB ALA 63 2HB ALA 63 10.961 -1.983 2.664 396 3HB ALA 63 3HB ALA 63 11.248 -0.495 1.731 397 H SER 64 H SER 64 12.382 -4.453 2.296 398 HA SER 64 HA SER 64 12.065 -5.611 -0.274 399 1HB SER 64 1HB SER 64 13.986 -7.123 -0.177 400 2HB SER 64 2HB SER 64 14.546 -5.441 -0.161 401 HG SER 64 HG SER 64 15.107 -5.617 1.982 402 H THR 65 H THR 65 10.273 -6.830 0.229 403 HA THR 65 HA THR 65 10.422 -9.066 1.857 404 HB THR 65 HB THR 65 10.600 -7.426 3.731 405 HG1 THR 65 1HG THR 65 7.899 -8.529 3.471 406 1HG2 THR 65 1HG2 THR 65 9.441 -5.447 3.293 407 2HG2 THR 65 2HG2 THR 65 8.190 -6.278 2.337 408 3HG2 THR 65 3HG2 THR 65 8.138 -6.339 4.115 409 H SER 66 H SER 66 8.176 -10.037 2.252 410 HA SER 66 HA SER 66 6.704 -9.505 -0.165 411 1HB SER 66 1HB SER 66 5.469 -11.600 0.475 412 2HB SER 66 2HB SER 66 7.217 -11.832 0.292 413 HG SER 66 HG SER 66 5.576 -11.953 2.602 414 H LEU 67 H LEU 67 4.985 -8.109 -0.134 415 HA LEU 67 HA LEU 67 3.699 -7.636 2.451 416 1HB LEU 67 1HB LEU 67 3.557 -6.013 -0.080 417 2HB LEU 67 2HB LEU 67 2.933 -5.559 1.516 418 HG LEU 67 HG LEU 67 5.733 -5.567 0.462 419 1HD1 LEU 67 1HD1 LEU 67 4.583 -3.470 0.471 420 2HD1 LEU 67 2HD1 LEU 67 4.088 -3.683 2.168 421 3HD1 LEU 67 3HD1 LEU 67 5.804 -3.433 1.766 422 1HD2 LEU 67 1HD2 LEU 67 6.276 -6.899 2.254 423 2HD2 LEU 67 2HD2 LEU 67 6.397 -5.281 2.985 424 3HD2 LEU 67 3HD2 LEU 67 4.950 -6.278 3.266 425 H THR 68 H THR 68 1.291 -7.357 2.437 426 HA THR 68 HA THR 68 0.128 -9.370 0.646 427 HB THR 68 HB THR 68 -0.090 -9.881 3.026 428 HG1 THR 68 1HG THR 68 -2.003 -9.970 1.491 429 1HG2 THR 68 1HG2 THR 68 -0.419 -6.988 3.262 430 2HG2 THR 68 2HG2 THR 68 -1.834 -7.818 3.952 431 3HG2 THR 68 3HG2 THR 68 -0.202 -8.189 4.559 432 H VAL 69 H VAL 69 -0.242 -8.205 -1.237 433 HA VAL 69 HA VAL 69 -1.423 -5.636 -1.173 434 HB VAL 69 HB VAL 69 -1.489 -7.563 -3.484 435 1HG1 VAL 69 1HG1 VAL 69 -2.020 -4.754 -3.103 436 2HG1 VAL 69 2HG1 VAL 69 -0.664 -4.964 -4.237 437 3HG1 VAL 69 3HG1 VAL 69 -2.227 -5.754 -4.561 438 1HG2 VAL 69 1HG2 VAL 69 0.860 -6.176 -3.820 439 2HG2 VAL 69 2HG2 VAL 69 0.870 -6.510 -2.072 440 3HG2 VAL 69 3HG2 VAL 69 0.728 -7.851 -3.234 441 H ARG 70 H ARG 70 -3.101 -6.392 0.523 442 HA ARG 70 HA ARG 70 -5.142 -8.082 -0.296 443 1HB ARG 70 1HB ARG 70 -5.344 -5.788 1.705 444 2HB ARG 70 2HB ARG 70 -6.348 -7.247 1.672 445 1HG ARG 70 1HG ARG 70 -4.778 -8.477 2.752 446 2HG ARG 70 2HG ARG 70 -3.448 -7.820 1.780 447 1HD ARG 70 1HD ARG 70 -4.757 -6.020 3.803 448 2HD ARG 70 2HD ARG 70 -3.685 -7.291 4.410 449 HE ARG 70 HE ARG 70 -2.588 -5.675 2.204 450 1HH1 ARG 70 1HH1 ARG 70 -2.857 -6.067 5.691 451 2HH1 ARG 70 2HH1 ARG 70 -1.448 -5.119 6.033 452 1HH2 ARG 70 1HH2 ARG 70 -0.730 -4.424 2.657 453 2HH2 ARG 70 2HH2 ARG 70 -0.230 -4.177 4.297 454 H ARG 71 H ARG 71 -7.235 -7.641 -1.190 455 HA ARG 71 HA ARG 71 -7.313 -5.149 -2.624 456 1HB ARG 71 1HB ARG 71 -7.767 -7.254 -3.839 457 2HB ARG 71 2HB ARG 71 -9.120 -7.616 -2.753 458 1HG ARG 71 1HG ARG 71 -9.219 -4.946 -4.053 459 2HG ARG 71 2HG ARG 71 -9.358 -6.316 -5.170 460 1HD ARG 71 1HD ARG 71 -11.050 -5.920 -2.662 461 2HD ARG 71 2HD ARG 71 -11.580 -5.503 -4.299 462 HE ARG 71 HE ARG 71 -10.819 -8.146 -4.534 463 1HH1 ARG 71 1HH1 ARG 71 -12.981 -6.447 -2.338 464 2HH1 ARG 71 2HH1 ARG 71 -14.013 -7.815 -2.091 465 1HH2 ARG 71 1HH2 ARG 71 -12.180 -9.953 -4.207 466 2HH2 ARG 71 2HH2 ARG 71 -13.554 -9.823 -3.161 467 H SER 72 H SER 72 -9.790 -7.185 -0.883 468 HA SER 72 HA SER 72 -11.511 -5.047 -0.491 469 1HB SER 72 1HB SER 72 -12.153 -7.450 -0.431 470 2HB SER 72 2HB SER 72 -11.297 -7.635 1.111 471 HG SER 72 HG SER 72 -13.629 -6.022 0.541 472 H PHE 73 H PHE 73 -10.838 -3.226 0.624 473 HA PHE 73 HA PHE 73 -9.924 -3.679 3.358 474 1HB PHE 73 1HB PHE 73 -8.414 -2.707 1.070 475 2HB PHE 73 2HB PHE 73 -8.643 -1.348 2.176 476 HD1 PHE 73 1HD PHE 73 -6.218 -1.266 2.545 477 HD2 PHE 73 2HD PHE 73 -8.473 -4.723 3.529 478 HE1 PHE 73 1HE PHE 73 -4.314 -2.109 3.947 479 HE2 PHE 73 2HE PHE 73 -6.569 -5.566 4.931 480 HZ PHE 73 HZ PHE 73 -4.513 -4.249 5.123 481 H GLU 74 H GLU 74 -10.116 -1.659 4.716 482 HA GLU 74 HA GLU 74 -12.418 -0.158 3.758 483 1HB GLU 74 1HB GLU 74 -12.751 0.374 6.206 484 2HB GLU 74 2HB GLU 74 -12.900 -1.346 5.806 485 1HG GLU 74 1HG GLU 74 -10.135 -0.672 6.415 486 2HG GLU 74 2HG GLU 74 -11.191 -0.154 7.740 487 HE2 GLU 74 HE2 GLU 74 -10.268 -3.840 7.686 488 H GLY 75 H GLY 75 -10.939 1.219 2.445 489 1HA GLY 75 1HA GLY 75 -8.939 2.797 3.746 490 2HA GLY 75 2HA GLY 75 -9.552 2.976 2.114 491 H PHE 76 H PHE 76 -9.002 5.034 4.258 492 HA PHE 76 HA PHE 76 -11.729 6.103 4.476 493 1HB PHE 76 1HB PHE 76 -10.872 7.231 6.498 494 2HB PHE 76 2HB PHE 76 -10.447 5.520 6.616 495 HD1 PHE 76 1HD PHE 76 -8.192 4.857 6.789 496 HD2 PHE 76 2HD PHE 76 -9.116 8.872 5.773 497 HE1 PHE 76 1HE PHE 76 -5.784 5.491 7.105 498 HE2 PHE 76 2HE PHE 76 -6.708 9.506 6.088 499 HZ PHE 76 HZ PHE 76 -5.071 7.808 6.752 500 H LEU 77 H LEU 77 -12.163 8.029 3.476 501 HA LEU 77 HA LEU 77 -10.648 9.088 1.541 502 1HB LEU 77 1HB LEU 77 -12.701 10.224 3.375 503 2HB LEU 77 2HB LEU 77 -11.861 11.310 2.253 504 HG LEU 77 HG LEU 77 -12.593 9.401 0.520 505 1HD1 LEU 77 1HD1 LEU 77 -14.780 9.317 2.616 506 2HD1 LEU 77 2HD1 LEU 77 -14.810 8.538 1.016 507 3HD1 LEU 77 3HD1 LEU 77 -13.643 7.999 2.247 508 1HD2 LEU 77 1HD2 LEU 77 -13.109 11.924 0.639 509 2HD2 LEU 77 2HD2 LEU 77 -14.221 10.870 -0.267 510 3HD2 LEU 77 3HD2 LEU 77 -14.655 11.426 1.368 511 H PHE 78 H PHE 78 -10.790 10.592 4.851 512 HA PHE 78 HA PHE 78 -8.221 10.650 5.510 513 1HB PHE 78 1HB PHE 78 -8.761 12.251 3.096 514 2HB PHE 78 2HB PHE 78 -8.118 13.283 4.377 515 HD1 PHE 78 1HD PHE 78 -6.065 13.746 3.206 516 HD2 PHE 78 2HD PHE 78 -7.188 9.745 4.065 517 HE1 PHE 78 1HE PHE 78 -3.745 12.974 2.644 518 HE2 PHE 78 2HE PHE 78 -4.868 8.973 3.503 519 HZ PHE 78 HZ PHE 78 -3.173 10.596 2.799 520 H ASP 79 H ASP 79 -11.221 12.493 5.085 521 HA ASP 79 HA ASP 79 -11.497 12.992 7.750 522 1HB ASP 79 1HB ASP 79 -9.504 14.610 6.951 523 2HB ASP 79 2HB ASP 79 -10.857 15.634 6.449 524 HD2 ASP 79 HD2 ASP 79 -10.862 14.929 10.352 525 H GLY 80 H GLY 80 -13.270 12.078 5.934 526 1HA GLY 80 1HA GLY 80 -15.290 14.133 5.818 527 2HA GLY 80 2HA GLY 80 -14.687 13.648 4.245 528 H THR 81 H THR 81 -14.154 10.893 4.642 529 HA THR 81 HA THR 81 -16.382 9.604 5.865 530 HB THR 81 HB THR 81 -16.463 10.385 2.968 531 HG1 THR 81 1HG THR 81 -18.123 11.132 4.320 532 1HG2 THR 81 1HG2 THR 81 -16.183 7.821 2.970 533 2HG2 THR 81 2HG2 THR 81 -17.663 7.751 3.956 534 3HG2 THR 81 3HG2 THR 81 -17.723 8.415 2.306 535 H ARG 82 H ARG 82 -16.367 7.181 5.289 536 HA ARG 82 HA ARG 82 -13.632 6.433 4.649 537 1HB ARG 82 1HB ARG 82 -14.009 6.351 7.122 538 2HB ARG 82 2HB ARG 82 -15.348 5.218 6.874 539 1HG ARG 82 1HG ARG 82 -13.742 3.638 5.775 540 2HG ARG 82 2HG ARG 82 -12.418 4.757 6.143 541 1HD ARG 82 1HD ARG 82 -14.249 3.776 8.345 542 2HD ARG 82 2HD ARG 82 -12.925 2.745 7.780 543 HE ARG 82 HE ARG 82 -11.367 4.270 8.707 544 1HH1 ARG 82 1HH1 ARG 82 -14.631 5.572 8.881 545 2HH1 ARG 82 2HH1 ARG 82 -14.197 6.859 9.958 546 1HH2 ARG 82 1HH2 ARG 82 -10.794 5.966 10.127 547 2HH2 ARG 82 2HH2 ARG 82 -12.001 7.084 10.671 548 H TRP 83 H TRP 83 -13.620 5.013 2.934 549 HA TRP 83 HA TRP 83 -15.846 4.102 1.660 550 1HB TRP 83 1HB TRP 83 -12.984 3.327 1.713 551 2HB TRP 83 2HB TRP 83 -14.108 2.194 0.959 552 HD1 TRP 83 HD TRP 83 -12.406 5.539 0.343 553 HE1 TRP 83 1HE TRP 83 -12.940 6.491 -2.059 554 HE3 TRP 83 3HE TRP 83 -16.057 2.173 -0.755 555 HZ2 TRP 83 2HZ TRP 83 -14.786 5.746 -4.103 556 HZ3 TRP 83 3HZ TRP 83 -17.174 2.356 -2.976 557 HH2 TRP 83 HH TRP 83 -16.592 4.065 -4.624 558 H GLY 84 H GLY 84 -13.701 1.605 3.092 559 1HA GLY 84 1HA GLY 84 -14.238 0.176 4.875 560 2HA GLY 84 2HA GLY 84 -15.933 0.591 4.713 561 H THR 85 H THR 85 -14.067 -1.998 4.476 562 HA THR 85 HA THR 85 -13.800 -3.712 2.973 563 HB THR 85 HB THR 85 -15.884 -3.890 4.592 564 HG1 THR 85 1HG THR 85 -15.617 -5.367 2.066 565 1HG2 THR 85 1HG2 THR 85 -17.466 -4.397 2.118 566 2HG2 THR 85 2HG2 THR 85 -17.998 -3.729 3.681 567 3HG2 THR 85 3HG2 THR 85 -17.217 -2.672 2.480 568 H VAL 86 H VAL 86 -13.482 -1.428 1.443 569 HA VAL 86 HA VAL 86 -15.285 -1.711 -0.813 570 HB VAL 86 HB VAL 86 -14.601 0.497 0.099 571 1HG1 VAL 86 1HG1 VAL 86 -12.469 1.019 0.493 572 2HG1 VAL 86 2HG1 VAL 86 -12.006 -0.625 -0.007 573 3HG1 VAL 86 3HG1 VAL 86 -12.035 0.693 -1.202 574 1HG2 VAL 86 1HG2 VAL 86 -14.030 1.502 -2.142 575 2HG2 VAL 86 2HG2 VAL 86 -13.888 -0.156 -2.775 576 3HG2 VAL 86 3HG2 VAL 86 -15.447 0.424 -2.140 577 H ASP 87 H ASP 87 -14.697 -2.522 -2.838 578 HA ASP 87 HA ASP 87 -12.613 -4.405 -2.771 579 1HB ASP 87 1HB ASP 87 -13.747 -3.493 -5.389 580 2HB ASP 87 2HB ASP 87 -13.484 -5.141 -4.798 581 HD2 ASP 87 HD2 ASP 87 -16.615 -4.783 -2.966 582 H CYS 88 H CYS 88 -10.498 -3.549 -2.721 583 HA CYS 88 HA CYS 88 -9.710 -1.132 -3.715 584 1HB CYS 88 1HB CYS 88 -8.078 -1.914 -2.436 585 2HB CYS 88 2HB CYS 88 -8.391 -3.609 -2.849 586 H THR 89 H THR 89 -10.470 -4.156 -5.356 587 HA THR 89 HA THR 89 -8.998 -3.640 -7.735 588 HB THR 89 HB THR 89 -9.625 -5.918 -7.110 589 HG1 THR 89 1HG THR 89 -9.741 -5.324 -9.406 590 1HG2 THR 89 1HG2 THR 89 -11.660 -6.413 -6.202 591 2HG2 THR 89 2HG2 THR 89 -12.130 -4.704 -6.364 592 3HG2 THR 89 3HG2 THR 89 -12.464 -5.848 -7.686 593 H THR 90 H THR 90 -11.942 -2.363 -6.390 594 HA THR 90 HA THR 90 -12.987 -1.607 -8.986 595 HB THR 90 HB THR 90 -13.874 -1.691 -6.134 596 HG1 THR 90 1HG THR 90 -15.682 -2.494 -7.325 597 1HG2 THR 90 1HG2 THR 90 -14.851 0.426 -8.119 598 2HG2 THR 90 2HG2 THR 90 -15.783 -0.104 -6.697 599 3HG2 THR 90 3HG2 THR 90 -14.218 0.718 -6.481 600 H ALA 91 H ALA 91 -10.932 -0.289 -6.444 601 HA ALA 91 HA ALA 91 -10.933 2.251 -7.929 602 1HB ALA 91 1HB ALA 91 -9.945 2.743 -5.351 603 2HB ALA 91 2HB ALA 91 -11.554 3.178 -5.972 604 3HB ALA 91 3HB ALA 91 -11.323 1.646 -5.096 605 H ALA 92 H ALA 92 -9.371 -0.434 -8.105 606 HA ALA 92 HA ALA 92 -7.233 -1.156 -8.057 607 1HB ALA 92 1HB ALA 92 -7.506 -0.108 -10.235 608 2HB ALA 92 2HB ALA 92 -7.098 1.488 -9.561 609 3HB ALA 92 3HB ALA 92 -5.857 0.214 -9.645 610 H CYS 93 H CYS 93 -7.408 -0.589 -5.552 611 HA CYS 93 HA CYS 93 -6.220 1.626 -4.493 612 1HB CYS 93 1HB CYS 93 -6.125 0.511 -2.497 613 2HB CYS 93 2HB CYS 93 -7.423 -0.340 -3.354 614 H GLN 94 H GLN 94 -3.965 1.086 -3.038 615 HA GLN 94 HA GLN 94 -2.044 -0.090 -4.844 616 1HB GLN 94 1HB GLN 94 -0.542 1.882 -4.666 617 2HB GLN 94 2HB GLN 94 -2.049 2.266 -5.516 618 1HG GLN 94 1HG GLN 94 -1.974 2.669 -2.541 619 2HG GLN 94 2HG GLN 94 -1.064 3.818 -3.537 620 1HE2 GLN 94 1HE2 GLN 94 -2.102 5.318 -4.708 621 2HE2 GLN 94 2HE2 GLN 94 -3.818 5.552 -4.747 622 H VAL 95 H VAL 95 0.130 -0.399 -3.745 623 HA VAL 95 HA VAL 95 -0.153 -0.403 -0.826 624 HB VAL 95 HB VAL 95 1.177 -2.642 -2.325 625 1HG1 VAL 95 1HG1 VAL 95 1.604 -3.365 -0.260 626 2HG1 VAL 95 2HG1 VAL 95 0.755 -1.958 0.424 627 3HG1 VAL 95 3HG1 VAL 95 -0.144 -3.453 0.067 628 1HG2 VAL 95 1HG2 VAL 95 -1.711 -2.084 -2.154 629 2HG2 VAL 95 2HG2 VAL 95 -0.813 -3.182 -3.230 630 3HG2 VAL 95 3HG2 VAL 95 -1.246 -3.705 -1.584 631 H GLY 96 H GLY 96 1.439 0.789 0.074 632 1HA GLY 96 1HA GLY 96 4.075 0.777 -1.249 633 2HA GLY 96 2HA GLY 96 3.296 2.289 -0.830 634 H LEU 97 H LEU 97 5.692 1.989 0.326 635 HA LEU 97 HA LEU 97 5.387 0.660 2.877 636 1HB LEU 97 1HB LEU 97 7.543 1.570 1.176 637 2HB LEU 97 2HB LEU 97 7.786 2.063 2.861 638 HG LEU 97 HG LEU 97 8.892 0.025 2.701 639 1HD1 LEU 97 1HD1 LEU 97 6.232 -1.060 3.582 640 2HD1 LEU 97 2HD1 LEU 97 7.856 -1.341 4.254 641 3HD1 LEU 97 3HD1 LEU 97 7.042 0.219 4.520 642 1HD2 LEU 97 1HD2 LEU 97 6.925 -1.792 1.628 643 2HD2 LEU 97 2HD2 LEU 97 7.207 -0.443 0.501 644 3HD2 LEU 97 3HD2 LEU 97 8.574 -1.436 1.062 645 H SER 98 H SER 98 5.759 1.816 4.934 646 HA SER 98 HA SER 98 5.191 4.652 4.736 647 1HB SER 98 1HB SER 98 3.309 2.649 5.576 648 2HB SER 98 2HB SER 98 3.734 3.630 6.990 649 HG SER 98 HG SER 98 1.892 4.370 5.545 650 H ASP 99 H ASP 99 6.615 5.774 6.022 651 HA ASP 99 HA ASP 99 7.862 4.237 8.161 652 1HB ASP 99 1HB ASP 99 9.452 6.487 7.725 653 2HB ASP 99 2HB ASP 99 9.790 4.854 7.129 654 HD2 ASP 99 HD2 ASP 99 9.924 6.410 4.064 655 H ALA 100 H ALA 100 8.951 6.153 9.765 656 HA ALA 100 HA ALA 100 6.622 7.581 10.723 657 1HB ALA 100 1HB ALA 100 7.564 7.162 12.719 658 2HB ALA 100 2HB ALA 100 8.858 6.279 11.873 659 3HB ALA 100 3HB ALA 100 9.055 8.010 12.240 660 H ALA 101 H ALA 101 8.262 8.272 8.174 661 HA ALA 101 HA ALA 101 8.032 11.043 8.413 662 1HB ALA 101 1HB ALA 101 10.291 11.783 8.559 663 2HB ALA 101 2HB ALA 101 10.100 10.590 9.865 664 3HB ALA 101 3HB ALA 101 10.927 10.132 8.357 665 H GLY 102 H GLY 102 6.954 9.321 6.627 666 1HA GLY 102 1HA GLY 102 7.894 10.276 4.149 667 2HA GLY 102 2HA GLY 102 8.482 8.643 4.387 668 H ASN 103 H ASN 103 6.182 7.762 6.058 669 HA ASN 103 HA ASN 103 4.655 6.560 4.273 670 1HB ASN 103 1HB ASN 103 2.744 6.848 6.094 671 2HB ASN 103 2HB ASN 103 4.211 5.951 6.509 672 1HD2 ASN 103 1HD2 ASN 103 3.204 6.628 8.654 673 2HD2 ASN 103 2HD2 ASN 103 3.791 8.093 9.371 674 H GLY 104 H GLY 104 2.184 6.994 3.774 675 1HA GLY 104 1HA GLY 104 0.583 8.944 3.780 676 2HA GLY 104 2HA GLY 104 1.886 9.835 3.020 677 HA PRO 105 HA PRO 105 -0.429 7.964 -0.373 678 1HB PRO 105 1HB PRO 105 -0.650 10.217 -1.903 679 2HB PRO 105 2HB PRO 105 -1.890 9.703 -0.761 680 1HG PRO 105 1HG PRO 105 0.127 11.843 -0.533 681 2HG PRO 105 2HG PRO 105 -1.405 11.642 0.389 682 1HD PRO 105 1HD PRO 105 1.277 11.148 1.262 683 2HD PRO 105 2HD PRO 105 -0.206 10.783 2.152 684 H GLU 106 H GLU 106 0.867 6.588 -1.415 685 HA GLU 106 HA GLU 106 2.289 7.430 -3.557 686 1HB GLU 106 1HB GLU 106 3.778 7.777 -1.030 687 2HB GLU 106 2HB GLU 106 4.666 6.860 -2.260 688 1HG GLU 106 1HG GLU 106 3.318 9.181 -3.417 689 2HG GLU 106 2HG GLU 106 4.387 9.668 -2.092 690 HE2 GLU 106 HE2 GLU 106 6.254 7.594 -4.936 691 H GLY 107 H GLY 107 0.580 5.303 -2.805 692 1HA GLY 107 1HA GLY 107 2.206 2.938 -2.371 693 2HA GLY 107 2HA GLY 107 0.464 3.030 -2.534 694 H VAL 108 H VAL 108 1.639 0.988 -3.880 695 HA VAL 108 HA VAL 108 2.089 1.925 -6.609 696 HB VAL 108 HB VAL 108 2.631 -0.628 -5.113 697 1HG1 VAL 108 1HG1 VAL 108 3.386 -0.534 -7.979 698 2HG1 VAL 108 2HG1 VAL 108 2.830 -1.898 -6.978 699 3HG1 VAL 108 3HG1 VAL 108 1.651 -0.742 -7.641 700 1HG2 VAL 108 1HG2 VAL 108 4.192 1.645 -6.142 701 2HG2 VAL 108 2HG2 VAL 108 4.568 0.484 -4.845 702 3HG2 VAL 108 3HG2 VAL 108 4.877 0.053 -6.545 703 H ALA 109 H ALA 109 0.281 2.176 -7.816 704 HA ALA 109 HA ALA 109 -2.170 0.987 -7.130 705 1HB ALA 109 1HB ALA 109 -1.288 3.041 -8.758 706 2HB ALA 109 2HB ALA 109 -1.819 1.819 -9.938 707 3HB ALA 109 3HB ALA 109 -2.953 2.416 -8.703 708 H ILE 110 H ILE 110 -2.491 -1.190 -7.147 709 HA ILE 110 HA ILE 110 -1.406 -2.643 -9.458 710 HB ILE 110 HB ILE 110 -1.768 -3.427 -6.580 711 1HG1 ILE 110 1HG1 ILE 110 0.636 -4.146 -8.138 712 2HG1 ILE 110 2HG1 ILE 110 0.390 -2.411 -7.872 713 1HG2 ILE 110 1HG2 ILE 110 -2.756 -5.272 -7.640 714 2HG2 ILE 110 2HG2 ILE 110 -1.605 -5.226 -8.998 715 3HG2 ILE 110 3HG2 ILE 110 -1.060 -5.749 -7.387 716 1HD1 ILE 110 1HD1 ILE 110 1.070 -4.570 -5.944 717 2HD1 ILE 110 2HD1 ILE 110 1.432 -2.827 -5.877 718 3HD1 ILE 110 3HD1 ILE 110 -0.167 -3.424 -5.373 719 H SER 111 H SER 111 -2.764 -4.394 -10.320 720 HA SER 111 HA SER 111 -5.526 -3.577 -10.175 721 1HB SER 111 1HB SER 111 -3.806 -5.070 -12.101 722 2HB SER 111 2HB SER 111 -5.511 -5.550 -12.051 723 HG SER 111 HG SER 111 -4.315 -3.241 -13.070 724 H PHE 112 H PHE 112 -6.540 -4.484 -8.386 725 HA PHE 112 HA PHE 112 -5.890 -7.203 -7.650 726 1HB PHE 112 1HB PHE 112 -7.864 -5.093 -6.603 727 2HB PHE 112 2HB PHE 112 -7.491 -6.603 -5.763 728 HD1 PHE 112 1HD PHE 112 -5.692 -3.656 -7.201 729 HD2 PHE 112 2HD PHE 112 -5.968 -6.479 -4.044 730 HE1 PHE 112 1HE PHE 112 -3.804 -2.508 -6.009 731 HE2 PHE 112 2HE PHE 112 -4.080 -5.330 -2.852 732 HZ PHE 112 HZ PHE 112 -3.021 -3.360 -3.850 733 H ASN 113 H ASN 113 -7.440 -6.336 -10.222 734 HA ASN 113 HA ASN 113 -10.048 -7.338 -9.737 735 1HB ASN 113 1HB ASN 113 -9.461 -5.628 -11.506 736 2HB ASN 113 2HB ASN 113 -8.602 -6.890 -12.401 737 1HD2 ASN 113 1HD2 ASN 113 -9.720 -7.567 -14.050 738 2HD2 ASN 113 2HD2 ASN 113 -11.429 -7.846 -14.125 Start of MODEL 37 1 H ALA 1 H ALA 1 9.649 13.471 -2.446 2 HA ALA 1 HA ALA 1 11.181 13.473 0.066 3 1HB ALA 1 1HB ALA 1 8.532 12.713 0.626 4 2HB ALA 1 2HB ALA 1 9.300 14.272 1.008 5 3HB ALA 1 3HB ALA 1 8.387 14.078 -0.508 6 H ALA 2 H ALA 2 12.455 11.661 -0.608 7 HA ALA 2 HA ALA 2 12.927 9.516 -0.877 8 1HB ALA 2 1HB ALA 2 11.028 9.699 1.186 9 2HB ALA 2 2HB ALA 2 10.468 8.346 0.173 10 3HB ALA 2 3HB ALA 2 12.113 8.327 0.853 11 HA PRO 3 HA PRO 3 10.985 8.128 -4.482 12 1HB PRO 3 1HB PRO 3 11.758 5.511 -4.601 13 2HB PRO 3 2HB PRO 3 12.804 6.848 -5.078 14 1HG PRO 3 1HG PRO 3 12.827 5.201 -2.628 15 2HG PRO 3 2HG PRO 3 14.150 6.210 -3.317 16 1HD PRO 3 1HD PRO 3 12.471 6.772 -1.065 17 2HD PRO 3 2HD PRO 3 13.652 7.865 -1.801 18 H THR 4 H THR 4 10.683 4.903 -3.409 19 HA THR 4 HA THR 4 8.327 4.865 -2.080 20 HB THR 4 HB THR 4 6.925 4.362 -4.413 21 HG1 THR 4 1HG THR 4 8.551 5.188 -5.793 22 1HG2 THR 4 1HG2 THR 4 7.087 6.551 -2.461 23 2HG2 THR 4 2HG2 THR 4 6.708 7.170 -4.086 24 3HG2 THR 4 3HG2 THR 4 5.664 5.940 -3.337 25 H ALA 5 H ALA 5 7.101 2.731 -2.364 26 HA ALA 5 HA ALA 5 9.139 0.709 -2.825 27 1HB ALA 5 1HB ALA 5 8.017 0.574 -0.710 28 2HB ALA 5 2HB ALA 5 6.417 0.731 -1.474 29 3HB ALA 5 3HB ALA 5 7.374 -0.751 -1.710 30 H THR 6 H THR 6 8.104 -1.474 -3.744 31 HA THR 6 HA THR 6 6.163 -0.959 -5.833 32 HB THR 6 HB THR 6 7.752 -1.758 -7.606 33 HG1 THR 6 1HG THR 6 9.715 -2.502 -6.863 34 1HG2 THR 6 1HG2 THR 6 9.141 0.220 -7.783 35 2HG2 THR 6 2HG2 THR 6 7.631 0.757 -7.009 36 3HG2 THR 6 3HG2 THR 6 9.090 0.490 -6.025 37 H VAL 7 H VAL 7 5.260 -2.890 -6.742 38 HA VAL 7 HA VAL 7 5.786 -5.210 -5.018 39 HB VAL 7 HB VAL 7 3.303 -4.054 -6.236 40 1HG1 VAL 7 1HG1 VAL 7 3.590 -6.937 -5.322 41 2HG1 VAL 7 2HG1 VAL 7 2.085 -6.131 -5.826 42 3HG1 VAL 7 3HG1 VAL 7 3.390 -6.399 -7.007 43 1HG2 VAL 7 1HG2 VAL 7 3.266 -5.357 -3.583 44 2HG2 VAL 7 2HG2 VAL 7 4.346 -3.949 -3.715 45 3HG2 VAL 7 3HG2 VAL 7 2.617 -3.783 -4.102 46 H THR 8 H THR 8 7.061 -6.658 -6.051 47 HA THR 8 HA THR 8 7.948 -6.849 -8.480 48 HB THR 8 HB THR 8 6.983 -8.880 -6.500 49 HG1 THR 8 1HG THR 8 9.284 -9.385 -6.841 50 1HG2 THR 8 1HG2 THR 8 6.287 -9.850 -8.773 51 2HG2 THR 8 2HG2 THR 8 7.988 -9.698 -9.272 52 3HG2 THR 8 3HG2 THR 8 7.549 -10.779 -7.928 53 HA PRO 9 HA PRO 9 4.120 -8.544 -10.555 54 1HB PRO 9 1HB PRO 9 1.875 -9.175 -9.134 55 2HB PRO 9 2HB PRO 9 3.120 -10.354 -9.544 56 1HG PRO 9 1HG PRO 9 2.562 -8.998 -6.984 57 2HG PRO 9 2HG PRO 9 3.488 -10.514 -7.273 58 1HD PRO 9 1HD PRO 9 4.495 -7.904 -6.660 59 2HD PRO 9 2HD PRO 9 5.449 -9.327 -7.093 60 H SER 10 H SER 10 1.745 -7.457 -8.277 61 HA SER 10 HA SER 10 0.764 -5.489 -8.059 62 1HB SER 10 1HB SER 10 2.957 -4.448 -8.922 63 2HB SER 10 2HB SER 10 2.178 -4.385 -10.512 64 HG SER 10 HG SER 10 1.852 -2.392 -9.442 65 H SER 11 H SER 11 0.198 -7.865 -9.913 66 HA SER 11 HA SER 11 -2.198 -6.889 -10.927 67 1HB SER 11 1HB SER 11 -1.865 -6.987 -13.299 68 2HB SER 11 2HB SER 11 -0.589 -5.940 -12.653 69 HG SER 11 HG SER 11 0.161 -7.527 -14.246 70 H GLY 12 H GLY 12 -3.564 -8.656 -11.658 71 1HA GLY 12 1HA GLY 12 -4.261 -10.792 -11.726 72 2HA GLY 12 2HA GLY 12 -2.657 -11.222 -12.286 73 H LEU 13 H LEU 13 -3.388 -9.631 -9.145 74 HA LEU 13 HA LEU 13 -2.127 -11.895 -7.823 75 1HB LEU 13 1HB LEU 13 -2.935 -9.200 -6.745 76 2HB LEU 13 2HB LEU 13 -1.956 -10.421 -5.913 77 HG LEU 13 HG LEU 13 -1.217 -8.720 -8.299 78 1HD1 LEU 13 1HD1 LEU 13 0.202 -7.591 -6.929 79 2HD1 LEU 13 2HD1 LEU 13 -1.021 -8.064 -5.725 80 3HD1 LEU 13 3HD1 LEU 13 0.489 -8.996 -5.873 81 1HD2 LEU 13 1HD2 LEU 13 1.046 -10.180 -7.649 82 2HD2 LEU 13 2HD2 LEU 13 -0.261 -11.388 -7.608 83 3HD2 LEU 13 3HD2 LEU 13 0.005 -10.414 -9.074 84 H SER 14 H SER 14 -3.676 -10.903 -5.299 85 HA SER 14 HA SER 14 -6.342 -11.680 -5.890 86 1HB SER 14 1HB SER 14 -4.725 -13.813 -5.574 87 2HB SER 14 2HB SER 14 -5.075 -13.496 -3.865 88 HG SER 14 HG SER 14 -7.332 -13.684 -4.334 89 H ASP 15 H ASP 15 -7.599 -11.888 -3.642 90 HA ASP 15 HA ASP 15 -7.201 -9.516 -2.315 91 1HB ASP 15 1HB ASP 15 -9.351 -10.609 -2.283 92 2HB ASP 15 2HB ASP 15 -8.675 -12.069 -1.544 93 HD2 ASP 15 HD2 ASP 15 -9.719 -9.020 0.749 94 H GLY 16 H GLY 16 -5.343 -9.088 -1.093 95 1HA GLY 16 1HA GLY 16 -3.963 -9.250 0.702 96 2HA GLY 16 2HA GLY 16 -4.759 -10.732 1.192 97 H THR 17 H THR 17 -3.315 -10.067 -2.043 98 HA THR 17 HA THR 17 -1.792 -12.495 -1.860 99 HB THR 17 HB THR 17 -2.173 -10.293 -3.945 100 HG1 THR 17 1HG THR 17 -3.737 -12.156 -3.199 101 1HG2 THR 17 1HG2 THR 17 -1.187 -12.341 -5.390 102 2HG2 THR 17 2HG2 THR 17 -0.105 -11.104 -4.707 103 3HG2 THR 17 3HG2 THR 17 -0.304 -12.668 -3.880 104 H VAL 18 H VAL 18 -0.316 -12.280 -0.165 105 HA VAL 18 HA VAL 18 1.348 -10.019 0.079 106 HB VAL 18 HB VAL 18 2.032 -12.767 1.078 107 1HG1 VAL 18 1HG1 VAL 18 2.293 -10.906 3.122 108 2HG1 VAL 18 2HG1 VAL 18 3.603 -11.533 2.092 109 3HG1 VAL 18 3HG1 VAL 18 2.792 -10.006 1.670 110 1HG2 VAL 18 1HG2 VAL 18 0.519 -11.996 3.100 111 2HG2 VAL 18 2HG2 VAL 18 -0.332 -11.081 1.832 112 3HG2 VAL 18 3HG2 VAL 18 -0.184 -12.851 1.706 113 H VAL 19 H VAL 19 2.144 -9.612 -2.074 114 HA VAL 19 HA VAL 19 3.902 -11.666 -3.159 115 HB VAL 19 HB VAL 19 4.023 -9.857 -5.023 116 1HG1 VAL 19 1HG1 VAL 19 2.966 -11.753 -5.733 117 2HG1 VAL 19 2HG1 VAL 19 1.846 -11.785 -4.351 118 3HG1 VAL 19 3HG1 VAL 19 1.560 -10.663 -5.702 119 1HG2 VAL 19 1HG2 VAL 19 2.926 -8.112 -3.553 120 2HG2 VAL 19 2HG2 VAL 19 2.205 -8.319 -5.168 121 3HG2 VAL 19 3HG2 VAL 19 1.407 -9.020 -3.739 122 H LYS 20 H LYS 20 6.063 -10.822 -4.081 123 HA LYS 20 HA LYS 20 7.510 -9.720 -1.923 124 1HB LYS 20 1HB LYS 20 8.037 -10.931 -4.516 125 2HB LYS 20 2HB LYS 20 9.159 -9.608 -4.157 126 1HG LYS 20 1HG LYS 20 9.574 -10.665 -1.908 127 2HG LYS 20 2HG LYS 20 8.562 -12.034 -2.398 128 1HD LYS 20 1HD LYS 20 10.516 -12.925 -3.140 129 2HD LYS 20 2HD LYS 20 10.305 -11.847 -4.531 130 1HE LYS 20 1HE LYS 20 11.830 -10.261 -3.680 131 2HE LYS 20 2HE LYS 20 11.688 -10.855 -2.019 132 1HZ LYS 20 1HZ LYS 20 12.690 -12.958 -2.986 133 2HZ LYS 20 2HZ LYS 20 13.127 -12.042 -4.266 134 3HZ LYS 20 3HZ LYS 20 13.684 -11.679 -2.774 135 H VAL 21 H VAL 21 8.409 -7.667 -1.621 136 HA VAL 21 HA VAL 21 7.766 -5.663 -3.640 137 HB VAL 21 HB VAL 21 7.008 -5.511 -0.717 138 1HG1 VAL 21 1HG1 VAL 21 6.769 -3.275 -0.858 139 2HG1 VAL 21 2HG1 VAL 21 7.898 -3.406 -2.227 140 3HG1 VAL 21 3HG1 VAL 21 6.144 -3.346 -2.524 141 1HG2 VAL 21 1HG2 VAL 21 5.498 -6.006 -3.242 142 2HG2 VAL 21 2HG2 VAL 21 5.220 -6.626 -1.597 143 3HG2 VAL 21 3HG2 VAL 21 4.731 -4.967 -2.017 144 H ALA 22 H ALA 22 9.317 -4.033 -3.803 145 HA ALA 22 HA ALA 22 11.422 -4.036 -1.773 146 1HB ALA 22 1HB ALA 22 12.935 -3.758 -3.981 147 2HB ALA 22 2HB ALA 22 12.582 -5.348 -3.262 148 3HB ALA 22 3HB ALA 22 11.646 -4.778 -4.664 149 H GLY 23 H GLY 23 12.725 -2.023 -1.832 150 1HA GLY 23 1HA GLY 23 13.079 0.175 -2.430 151 2HA GLY 23 2HA GLY 23 11.646 0.155 -3.438 152 H ALA 24 H ALA 24 11.300 2.312 -2.291 153 HA ALA 24 HA ALA 24 9.215 2.612 -0.869 154 1HB ALA 24 1HB ALA 24 9.856 2.391 1.607 155 2HB ALA 24 2HB ALA 24 9.592 0.873 0.716 156 3HB ALA 24 3HB ALA 24 11.248 1.431 1.052 157 H GLY 25 H GLY 25 10.492 3.908 1.666 158 1HA GLY 25 1HA GLY 25 10.950 6.451 0.485 159 2HA GLY 25 2HA GLY 25 11.116 6.014 2.173 160 H LEU 26 H LEU 26 12.921 3.740 0.486 161 HA LEU 26 HA LEU 26 15.122 3.374 0.536 162 1HB LEU 26 1HB LEU 26 14.919 4.194 -1.638 163 2HB LEU 26 2HB LEU 26 14.830 5.881 -1.100 164 HG LEU 26 HG LEU 26 17.311 5.006 -0.189 165 1HD1 LEU 26 1HD1 LEU 26 17.402 3.001 -1.395 166 2HD1 LEU 26 2HD1 LEU 26 16.660 3.726 -2.841 167 3HD1 LEU 26 3HD1 LEU 26 18.326 4.156 -2.385 168 1HD2 LEU 26 1HD2 LEU 26 17.120 7.182 -0.986 169 2HD2 LEU 26 2HD2 LEU 26 18.129 6.384 -2.216 170 3HD2 LEU 26 3HD2 LEU 26 16.398 6.665 -2.529 171 H GLN 27 H GLN 27 14.861 3.821 2.995 172 HA GLN 27 HA GLN 27 15.919 6.289 3.887 173 1HB GLN 27 1HB GLN 27 14.320 5.112 5.265 174 2HB GLN 27 2HB GLN 27 15.332 3.658 5.309 175 1HG GLN 27 1HG GLN 27 15.352 5.307 7.347 176 2HG GLN 27 2HG GLN 27 16.890 4.644 6.777 177 1HE2 GLN 27 1HE2 GLN 27 18.362 6.146 7.010 178 2HE2 GLN 27 2HE2 GLN 27 18.259 7.800 6.507 179 H ALA 28 H ALA 28 17.201 3.344 5.371 180 HA ALA 28 HA ALA 28 19.476 2.802 4.090 181 1HB ALA 28 1HB ALA 28 20.533 4.817 3.944 182 2HB ALA 28 2HB ALA 28 19.613 5.516 5.297 183 3HB ALA 28 3HB ALA 28 21.007 4.459 5.622 184 H GLY 29 H GLY 29 17.885 1.314 5.613 185 1HA GLY 29 1HA GLY 29 18.289 -0.341 7.161 186 2HA GLY 29 2HA GLY 29 19.604 0.591 7.848 187 H THR 30 H THR 30 15.995 0.638 7.465 188 HA THR 30 HA THR 30 15.692 1.194 10.263 189 HB THR 30 HB THR 30 15.347 3.329 8.137 190 HG1 THR 30 1HG THR 30 16.147 3.096 10.953 191 1HG2 THR 30 1HG2 THR 30 13.097 3.047 9.318 192 2HG2 THR 30 2HG2 THR 30 13.947 3.308 10.859 193 3HG2 THR 30 3HG2 THR 30 13.894 4.605 9.641 194 H ALA 31 H ALA 31 13.346 1.269 10.886 195 HA ALA 31 HA ALA 31 12.037 -0.890 9.673 196 1HB ALA 31 1HB ALA 31 10.556 -0.662 11.423 197 2HB ALA 31 2HB ALA 31 11.906 0.298 12.074 198 3HB ALA 31 3HB ALA 31 10.523 1.113 11.306 199 H TYR 32 H TYR 32 9.996 -0.917 8.495 200 HA TYR 32 HA TYR 32 9.187 1.602 7.296 201 1HB TYR 32 1HB TYR 32 10.726 -0.659 6.071 202 2HB TYR 32 2HB TYR 32 9.295 -0.205 5.140 203 HD1 TYR 32 1HD TYR 32 12.728 0.456 5.706 204 HD2 TYR 32 2HD TYR 32 9.057 2.374 4.631 205 HE1 TYR 32 1HE TYR 32 14.028 2.373 4.657 206 HE2 TYR 32 2HE TYR 32 10.370 4.284 3.586 207 HH TYR 32 HH TYR 32 12.367 5.235 3.461 208 H ASP 33 H ASP 33 7.315 1.082 8.708 209 HA ASP 33 HA ASP 33 5.898 -1.233 8.568 210 1HB ASP 33 1HB ASP 33 5.599 1.307 9.707 211 2HB ASP 33 2HB ASP 33 4.171 1.156 8.671 212 HD2 ASP 33 HD2 ASP 33 4.400 -0.946 12.004 213 H VAL 34 H VAL 34 4.538 -2.142 6.990 214 HA VAL 34 HA VAL 34 4.424 -0.916 4.437 215 HB VAL 34 HB VAL 34 2.867 -3.280 5.494 216 1HG1 VAL 34 1HG1 VAL 34 3.837 -2.745 2.674 217 2HG1 VAL 34 2HG1 VAL 34 2.693 -3.993 3.226 218 3HG1 VAL 34 3HG1 VAL 34 2.222 -2.277 3.258 219 1HG2 VAL 34 1HG2 VAL 34 5.194 -3.656 6.016 220 2HG2 VAL 34 2HG2 VAL 34 4.754 -4.659 4.613 221 3HG2 VAL 34 3HG2 VAL 34 5.687 -3.161 4.379 222 H GLY 35 H GLY 35 2.553 -0.147 3.289 223 1HA GLY 35 1HA GLY 35 0.298 0.604 5.049 224 2HA GLY 35 2HA GLY 35 1.059 1.753 3.966 225 H GLN 36 H GLN 36 -1.760 0.639 4.044 226 HA GLN 36 HA GLN 36 -1.776 -0.201 1.262 227 1HB GLN 36 1HB GLN 36 -2.176 -2.275 2.256 228 2HB GLN 36 2HB GLN 36 -3.081 -1.580 3.613 229 1HG GLN 36 1HG GLN 36 -4.941 -2.184 2.475 230 2HG GLN 36 2HG GLN 36 -4.593 -0.832 1.386 231 1HE2 GLN 36 1HE2 GLN 36 -4.397 -1.271 -0.669 232 2HE2 GLN 36 2HE2 GLN 36 -4.034 -2.805 -1.386 233 H CYS 37 H CYS 37 -2.836 1.386 0.160 234 HA CYS 37 HA CYS 37 -5.217 2.496 1.449 235 1HB CYS 37 1HB CYS 37 -3.269 4.082 -0.212 236 2HB CYS 37 2HB CYS 37 -4.709 4.693 0.620 237 H ALA 38 H ALA 38 -6.255 3.975 -0.621 238 HA ALA 38 HA ALA 38 -6.031 2.496 -3.087 239 1HB ALA 38 1HB ALA 38 -8.180 1.579 -3.127 240 2HB ALA 38 2HB ALA 38 -7.697 1.314 -1.436 241 3HB ALA 38 3HB ALA 38 -8.779 2.665 -1.851 242 H TRP 39 H TRP 39 -6.125 3.967 -4.711 243 HA TRP 39 HA TRP 39 -7.265 6.581 -4.045 244 1HB TRP 39 1HB TRP 39 -5.100 6.928 -4.710 245 2HB TRP 39 2HB TRP 39 -5.127 5.634 -5.911 246 HD1 TRP 39 HD TRP 39 -5.963 9.350 -5.506 247 HE1 TRP 39 1HE TRP 39 -6.495 10.485 -7.828 248 HE3 TRP 39 3HE TRP 39 -6.090 5.029 -8.183 249 HZ2 TRP 39 2HZ TRP 39 -6.900 9.471 -10.465 250 HZ3 TRP 39 3HZ TRP 39 -6.560 5.190 -10.625 251 HH2 TRP 39 HH TRP 39 -6.958 7.313 -11.769 252 H VAL 40 H VAL 40 -9.405 6.701 -4.604 253 HA VAL 40 HA VAL 40 -10.348 5.107 -6.835 254 HB VAL 40 HB VAL 40 -11.816 6.917 -4.906 255 1HG1 VAL 40 1HG1 VAL 40 -13.706 6.466 -6.015 256 2HG1 VAL 40 2HG1 VAL 40 -12.684 5.835 -7.330 257 3HG1 VAL 40 3HG1 VAL 40 -13.330 4.728 -6.095 258 1HG2 VAL 40 1HG2 VAL 40 -12.169 4.012 -4.629 259 2HG2 VAL 40 2HG2 VAL 40 -10.513 4.567 -4.282 260 3HG2 VAL 40 3HG2 VAL 40 -11.890 5.259 -3.390 261 H ASP 41 H ASP 41 -12.217 7.927 -6.447 262 HA ASP 41 HA ASP 41 -11.850 8.743 -9.020 263 1HB ASP 41 1HB ASP 41 -13.466 9.446 -6.900 264 2HB ASP 41 2HB ASP 41 -12.486 10.910 -7.077 265 HD2 ASP 41 HD2 ASP 41 -13.867 11.374 -10.357 266 H THR 42 H THR 42 -11.445 11.649 -8.744 267 HA THR 42 HA THR 42 -8.612 11.733 -8.883 268 HB THR 42 HB THR 42 -10.861 13.802 -8.936 269 HG1 THR 42 1HG THR 42 -10.418 13.541 -11.171 270 1HG2 THR 42 1HG2 THR 42 -7.880 14.170 -9.549 271 2HG2 THR 42 2HG2 THR 42 -9.158 15.371 -9.851 272 3HG2 THR 42 3HG2 THR 42 -8.739 14.919 -8.182 273 H GLY 43 H GLY 43 -11.003 13.028 -6.491 274 1HA GLY 43 1HA GLY 43 -8.739 13.273 -4.600 275 2HA GLY 43 2HA GLY 43 -10.113 14.358 -4.645 276 H VAL 44 H VAL 44 -10.138 10.765 -5.031 277 HA VAL 44 HA VAL 44 -11.566 10.617 -2.470 278 HB VAL 44 HB VAL 44 -12.230 9.136 -5.022 279 1HG1 VAL 44 1HG1 VAL 44 -14.331 9.035 -3.103 280 2HG1 VAL 44 2HG1 VAL 44 -13.345 7.696 -3.738 281 3HG1 VAL 44 3HG1 VAL 44 -12.825 8.570 -2.276 282 1HG2 VAL 44 1HG2 VAL 44 -13.917 11.239 -3.642 283 2HG2 VAL 44 2HG2 VAL 44 -12.789 11.618 -4.966 284 3HG2 VAL 44 3HG2 VAL 44 -14.153 10.511 -5.249 285 H LEU 45 H LEU 45 -8.901 10.323 -2.360 286 HA LEU 45 HA LEU 45 -8.387 7.460 -2.680 287 1HB LEU 45 1HB LEU 45 -6.760 8.690 -3.781 288 2HB LEU 45 2HB LEU 45 -6.632 9.889 -2.482 289 HG LEU 45 HG LEU 45 -5.763 7.001 -2.212 290 1HD1 LEU 45 1HD1 LEU 45 -3.696 9.104 -2.451 291 2HD1 LEU 45 2HD1 LEU 45 -3.722 7.431 -3.060 292 3HD1 LEU 45 3HD1 LEU 45 -4.583 8.714 -3.944 293 1HD2 LEU 45 1HD2 LEU 45 -5.740 9.384 -0.438 294 2HD2 LEU 45 2HD2 LEU 45 -5.897 7.654 -0.048 295 3HD2 LEU 45 3HD2 LEU 45 -4.297 8.342 -0.412 296 H ALA 46 H ALA 46 -8.823 6.228 -0.937 297 HA ALA 46 HA ALA 46 -8.627 7.511 1.689 298 1HB ALA 46 1HB ALA 46 -10.795 6.590 1.305 299 2HB ALA 46 2HB ALA 46 -10.119 5.089 0.628 300 3HB ALA 46 3HB ALA 46 -9.959 5.432 2.367 301 H CYS 47 H CYS 47 -7.644 6.234 3.468 302 HA CYS 47 HA CYS 47 -5.548 4.480 2.407 303 1HB CYS 47 1HB CYS 47 -5.417 6.821 4.107 304 2HB CYS 47 2HB CYS 47 -4.659 5.413 4.872 305 H ASN 48 H ASN 48 -4.969 2.648 3.824 306 HA ASN 48 HA ASN 48 -7.212 1.961 5.549 307 1HB ASN 48 1HB ASN 48 -6.447 0.526 3.465 308 2HB ASN 48 2HB ASN 48 -5.148 -0.030 4.533 309 1HD2 ASN 48 1HD2 ASN 48 -7.164 -1.641 3.398 310 2HD2 ASN 48 2HD2 ASN 48 -8.146 -2.303 4.664 311 HA PRO 49 HA PRO 49 -3.844 2.467 8.482 312 1HB PRO 49 1HB PRO 49 -5.399 3.124 10.631 313 2HB PRO 49 2HB PRO 49 -4.748 4.319 9.510 314 1HG PRO 49 1HG PRO 49 -7.478 3.227 9.746 315 2HG PRO 49 2HG PRO 49 -6.942 4.754 8.954 316 1HD PRO 49 1HD PRO 49 -7.732 2.293 7.723 317 2HD PRO 49 2HD PRO 49 -7.060 3.711 6.909 318 H ALA 50 H ALA 50 -4.759 -0.044 7.625 319 HA ALA 50 HA ALA 50 -4.569 -1.404 10.215 320 1HB ALA 50 1HB ALA 50 -6.665 -2.177 9.980 321 2HB ALA 50 2HB ALA 50 -6.825 -1.381 8.396 322 3HB ALA 50 3HB ALA 50 -6.143 -3.021 8.502 323 H ASP 51 H ASP 51 -3.064 -0.640 7.422 324 HA ASP 51 HA ASP 51 -2.417 -2.764 6.015 325 1HB ASP 51 1HB ASP 51 0.049 -1.821 6.166 326 2HB ASP 51 2HB ASP 51 -1.226 -0.840 5.429 327 HD2 ASP 51 HD2 ASP 51 -0.721 1.660 7.693 328 H PHE 52 H PHE 52 -1.109 -1.905 9.288 329 HA PHE 52 HA PHE 52 -0.127 -3.095 10.862 330 1HB PHE 52 1HB PHE 52 -1.198 -5.412 9.148 331 2HB PHE 52 2HB PHE 52 -0.576 -5.620 10.790 332 HD1 PHE 52 1HD PHE 52 -1.853 -2.975 11.816 333 HD2 PHE 52 2HD PHE 52 -3.373 -6.280 9.631 334 HE1 PHE 52 1HE PHE 52 -4.148 -2.521 12.725 335 HE2 PHE 52 2HE PHE 52 -5.668 -5.825 10.540 336 HZ PHE 52 HZ PHE 52 -6.028 -3.951 12.077 337 H SER 53 H SER 53 0.337 -5.002 7.792 338 HA SER 53 HA SER 53 2.615 -6.183 8.184 339 1HB SER 53 1HB SER 53 1.511 -4.713 5.836 340 2HB SER 53 2HB SER 53 3.212 -5.195 5.718 341 HG SER 53 HG SER 53 2.572 -7.199 5.356 342 H SER 54 H SER 54 4.924 -5.735 8.059 343 HA SER 54 HA SER 54 5.758 -3.028 7.837 344 1HB SER 54 1HB SER 54 6.869 -3.008 10.107 345 2HB SER 54 2HB SER 54 5.099 -2.901 10.156 346 HG SER 54 HG SER 54 5.264 -5.370 10.403 347 H VAL 55 H VAL 55 8.027 -2.900 7.389 348 HA VAL 55 HA VAL 55 9.546 -5.373 7.641 349 HB VAL 55 HB VAL 55 8.309 -5.090 5.360 350 1HG1 VAL 55 1HG1 VAL 55 9.568 -2.669 5.332 351 2HG1 VAL 55 2HG1 VAL 55 10.708 -3.659 4.389 352 3HG1 VAL 55 3HG1 VAL 55 9.007 -3.534 3.880 353 1HG2 VAL 55 1HG2 VAL 55 9.657 -6.887 5.202 354 2HG2 VAL 55 2HG2 VAL 55 10.751 -5.794 4.321 355 3HG2 VAL 55 3HG2 VAL 55 10.994 -6.083 6.061 356 H THR 56 H THR 56 11.742 -4.315 6.010 357 HA THR 56 HA THR 56 12.420 -1.804 7.318 358 HB THR 56 HB THR 56 13.719 -4.504 7.833 359 HG1 THR 56 1HG THR 56 13.478 -3.589 9.977 360 1HG2 THR 56 1HG2 THR 56 15.647 -3.295 8.829 361 2HG2 THR 56 2HG2 THR 56 15.564 -2.964 7.083 362 3HG2 THR 56 3HG2 THR 56 14.989 -1.747 8.248 363 H ALA 57 H ALA 57 14.588 -0.971 6.478 364 HA ALA 57 HA ALA 57 14.475 -1.207 3.618 365 1HB ALA 57 1HB ALA 57 16.691 0.362 4.422 366 2HB ALA 57 2HB ALA 57 15.093 0.936 3.885 367 3HB ALA 57 3HB ALA 57 15.409 0.673 5.617 368 H ASP 58 H ASP 58 16.974 -1.078 2.646 369 HA ASP 58 HA ASP 58 18.406 -3.285 3.875 370 1HB ASP 58 1HB ASP 58 18.831 -4.241 1.618 371 2HB ASP 58 2HB ASP 58 17.110 -4.258 2.028 372 HD2 ASP 58 HD2 ASP 58 17.214 -3.089 -1.320 373 H ALA 59 H ALA 59 20.685 -2.966 3.791 374 HA ALA 59 HA ALA 59 22.041 -0.868 3.825 375 1HB ALA 59 1HB ALA 59 23.813 -1.874 2.261 376 2HB ALA 59 2HB ALA 59 23.239 -2.911 3.589 377 3HB ALA 59 3HB ALA 59 22.633 -3.168 1.936 378 H ASN 60 H ASN 60 20.665 0.883 3.010 379 HA ASN 60 HA ASN 60 21.570 2.314 1.072 380 1HB ASN 60 1HB ASN 60 21.438 0.753 -0.713 381 2HB ASN 60 2HB ASN 60 19.863 0.136 -0.191 382 1HD2 ASN 60 1HD2 ASN 60 18.891 0.440 -2.150 383 2HD2 ASN 60 2HD2 ASN 60 18.500 1.993 -2.810 384 H GLY 61 H GLY 61 18.597 0.717 2.273 385 1HA GLY 61 1HA GLY 61 17.095 2.122 3.560 386 2HA GLY 61 2HA GLY 61 17.250 3.350 2.319 387 H SER 62 H SER 62 17.346 0.592 0.520 388 HA SER 62 HA SER 62 14.633 0.911 -0.244 389 1HB SER 62 1HB SER 62 17.054 -0.457 -1.255 390 2HB SER 62 2HB SER 62 15.540 -1.296 -1.636 391 HG SER 62 HG SER 62 14.987 1.202 -2.196 392 H ALA 63 H ALA 63 12.880 -0.392 0.287 393 HA ALA 63 HA ALA 63 13.268 -2.293 2.388 394 1HB ALA 63 1HB ALA 63 11.004 -2.072 2.688 395 2HB ALA 63 2HB ALA 63 11.277 -0.590 1.742 396 3HB ALA 63 3HB ALA 63 10.664 -2.057 0.942 397 H SER 64 H SER 64 12.281 -4.542 2.235 398 HA SER 64 HA SER 64 12.020 -5.653 -0.344 399 1HB SER 64 1HB SER 64 13.952 -7.011 -0.472 400 2HB SER 64 2HB SER 64 14.570 -5.416 -0.008 401 HG SER 64 HG SER 64 15.224 -6.204 1.885 402 H THR 65 H THR 65 10.345 -7.055 0.023 403 HA THR 65 HA THR 65 10.490 -9.235 1.708 404 HB THR 65 HB THR 65 10.497 -7.603 3.578 405 HG1 THR 65 1HG THR 65 8.729 -8.683 4.577 406 1HG2 THR 65 1HG2 THR 65 9.364 -5.638 2.906 407 2HG2 THR 65 2HG2 THR 65 8.073 -6.549 2.086 408 3HG2 THR 65 3HG2 THR 65 8.109 -6.459 3.863 409 H SER 66 H SER 66 7.457 -8.478 2.466 410 HA SER 66 HA SER 66 6.386 -8.713 -0.199 411 1HB SER 66 1HB SER 66 5.581 -10.717 1.932 412 2HB SER 66 2HB SER 66 5.184 -10.751 0.205 413 HG SER 66 HG SER 66 7.714 -11.264 1.493 414 H LEU 67 H LEU 67 4.322 -7.766 -0.362 415 HA LEU 67 HA LEU 67 3.222 -6.788 2.181 416 1HB LEU 67 1HB LEU 67 3.056 -5.514 -0.542 417 2HB LEU 67 2HB LEU 67 2.404 -4.861 0.970 418 HG LEU 67 HG LEU 67 5.284 -5.128 0.104 419 1HD1 LEU 67 1HD1 LEU 67 3.351 -2.917 0.506 420 2HD1 LEU 67 2HD1 LEU 67 5.016 -2.625 1.063 421 3HD1 LEU 67 3HD1 LEU 67 4.710 -3.073 -0.632 422 1HD2 LEU 67 1HD2 LEU 67 5.802 -5.655 2.217 423 2HD2 LEU 67 2HD2 LEU 67 5.424 -3.953 2.576 424 3HD2 LEU 67 3HD2 LEU 67 4.191 -5.211 2.831 425 H THR 68 H THR 68 1.096 -7.229 2.651 426 HA THR 68 HA THR 68 -0.172 -9.230 1.040 427 HB THR 68 HB THR 68 -0.351 -9.385 3.451 428 HG1 THR 68 1HG THR 68 -2.359 -9.862 2.432 429 1HG2 THR 68 1HG2 THR 68 -0.450 -7.533 4.783 430 2HG2 THR 68 2HG2 THR 68 -0.498 -6.505 3.330 431 3HG2 THR 68 3HG2 THR 68 -2.014 -7.095 4.053 432 H VAL 69 H VAL 69 -0.790 -8.549 -0.965 433 HA VAL 69 HA VAL 69 -1.945 -6.000 -1.383 434 HB VAL 69 HB VAL 69 -1.841 -8.523 -3.045 435 1HG1 VAL 69 1HG1 VAL 69 -2.271 -6.818 -4.948 436 2HG1 VAL 69 2HG1 VAL 69 -3.654 -7.375 -3.977 437 3HG1 VAL 69 3HG1 VAL 69 -2.932 -5.778 -3.664 438 1HG2 VAL 69 1HG2 VAL 69 0.311 -7.269 -2.389 439 2HG2 VAL 69 2HG2 VAL 69 0.043 -7.611 -4.114 440 3HG2 VAL 69 3HG2 VAL 69 -0.266 -5.980 -3.471 441 H ARG 70 H ARG 70 -3.479 -6.274 0.560 442 HA ARG 70 HA ARG 70 -5.563 -8.067 0.425 443 1HB ARG 70 1HB ARG 70 -5.520 -5.269 1.649 444 2HB ARG 70 2HB ARG 70 -6.685 -6.539 2.059 445 1HG ARG 70 1HG ARG 70 -5.200 -7.623 3.398 446 2HG ARG 70 2HG ARG 70 -3.851 -7.388 2.269 447 1HD ARG 70 1HD ARG 70 -4.913 -5.001 3.770 448 2HD ARG 70 2HD ARG 70 -3.914 -6.164 4.657 449 HE ARG 70 HE ARG 70 -2.884 -5.131 2.064 450 1HH1 ARG 70 1HH1 ARG 70 -2.721 -5.119 5.579 451 2HH1 ARG 70 2HH1 ARG 70 -1.161 -4.367 5.632 452 1HH2 ARG 70 1HH2 ARG 70 -0.826 -4.140 2.133 453 2HH2 ARG 70 2HH2 ARG 70 -0.076 -3.806 3.658 454 H ARG 71 H ARG 71 -7.284 -8.186 -0.985 455 HA ARG 71 HA ARG 71 -7.639 -6.140 -2.877 456 1HB ARG 71 1HB ARG 71 -8.083 -8.384 -3.584 457 2HB ARG 71 2HB ARG 71 -9.159 -8.696 -2.211 458 1HG ARG 71 1HG ARG 71 -10.644 -6.818 -3.185 459 2HG ARG 71 2HG ARG 71 -9.668 -6.960 -4.659 460 1HD ARG 71 1HD ARG 71 -11.219 -8.537 -5.230 461 2HD ARG 71 2HD ARG 71 -10.278 -9.601 -4.175 462 HE ARG 71 HE ARG 71 -12.284 -8.048 -2.729 463 1HH1 ARG 71 1HH1 ARG 71 -11.765 -10.956 -4.640 464 2HH1 ARG 71 2HH1 ARG 71 -13.119 -11.797 -3.963 465 1HH2 ARG 71 1HH2 ARG 71 -14.070 -9.157 -1.835 466 2HH2 ARG 71 2HH2 ARG 71 -14.440 -10.767 -2.356 467 H SER 72 H SER 72 -9.934 -7.600 -0.442 468 HA SER 72 HA SER 72 -11.845 -5.649 -0.704 469 1HB SER 72 1HB SER 72 -12.704 -6.475 1.465 470 2HB SER 72 2HB SER 72 -12.250 -7.813 0.395 471 HG SER 72 HG SER 72 -11.260 -7.099 2.891 472 H PHE 73 H PHE 73 -10.572 -3.621 -0.810 473 HA PHE 73 HA PHE 73 -8.886 -2.705 1.141 474 1HB PHE 73 1HB PHE 73 -9.632 -1.767 -1.184 475 2HB PHE 73 2HB PHE 73 -11.021 -1.070 -0.343 476 HD1 PHE 73 1HD PHE 73 -10.760 1.205 -0.142 477 HD2 PHE 73 2HD PHE 73 -7.370 -1.278 0.443 478 HE1 PHE 73 1HE PHE 73 -9.380 3.223 0.429 479 HE2 PHE 73 2HE PHE 73 -5.990 0.739 1.014 480 HZ PHE 73 HZ PHE 73 -7.012 2.966 1.000 481 H GLU 74 H GLU 74 -9.241 -0.959 2.789 482 HA GLU 74 HA GLU 74 -11.885 -0.636 3.763 483 1HB GLU 74 1HB GLU 74 -9.893 -2.227 5.425 484 2HB GLU 74 2HB GLU 74 -11.446 -1.619 6.021 485 1HG GLU 74 1HG GLU 74 -12.560 -2.941 4.159 486 2HG GLU 74 2HG GLU 74 -10.984 -3.665 3.803 487 HE2 GLU 74 HE2 GLU 74 -12.049 -6.046 6.093 488 H GLY 75 H GLY 75 -10.763 1.481 2.984 489 1HA GLY 75 1HA GLY 75 -9.327 2.656 5.290 490 2HA GLY 75 2HA GLY 75 -8.881 2.982 3.626 491 H PHE 76 H PHE 76 -9.385 5.230 4.908 492 HA PHE 76 HA PHE 76 -12.135 5.903 4.134 493 1HB PHE 76 1HB PHE 76 -12.146 7.406 6.097 494 2HB PHE 76 2HB PHE 76 -11.676 5.795 6.649 495 HD1 PHE 76 1HD PHE 76 -9.102 5.366 6.773 496 HD2 PHE 76 2HD PHE 76 -10.857 9.228 6.673 497 HE1 PHE 76 1HE PHE 76 -7.020 6.337 7.784 498 HE2 PHE 76 2HE PHE 76 -8.775 10.200 7.684 499 HZ PHE 76 HZ PHE 76 -6.882 8.743 8.227 500 H LEU 77 H LEU 77 -12.453 8.063 3.292 501 HA LEU 77 HA LEU 77 -10.764 8.929 1.436 502 1HB LEU 77 1HB LEU 77 -12.779 10.271 3.146 503 2HB LEU 77 2HB LEU 77 -11.736 11.303 2.151 504 HG LEU 77 HG LEU 77 -13.301 8.995 0.992 505 1HD1 LEU 77 1HD1 LEU 77 -14.337 11.514 2.033 506 2HD1 LEU 77 2HD1 LEU 77 -14.693 11.291 0.304 507 3HD1 LEU 77 3HD1 LEU 77 -15.196 10.056 1.484 508 1HD2 LEU 77 1HD2 LEU 77 -13.147 10.798 -0.976 509 2HD2 LEU 77 2HD2 LEU 77 -11.683 11.253 -0.072 510 3HD2 LEU 77 3HD2 LEU 77 -11.878 9.589 -0.671 511 H PHE 78 H PHE 78 -10.787 10.313 4.802 512 HA PHE 78 HA PHE 78 -8.261 10.146 5.490 513 1HB PHE 78 1HB PHE 78 -7.215 11.095 3.613 514 2HB PHE 78 2HB PHE 78 -8.641 12.042 3.177 515 HD1 PHE 78 1HD PHE 78 -8.852 14.302 3.873 516 HD2 PHE 78 2HD PHE 78 -5.686 11.916 5.390 517 HE1 PHE 78 1HE PHE 78 -7.757 16.354 4.819 518 HE2 PHE 78 2HE PHE 78 -4.593 13.968 6.336 519 HZ PHE 78 HZ PHE 78 -5.641 16.162 6.039 520 H ASP 79 H ASP 79 -11.166 12.041 5.189 521 HA ASP 79 HA ASP 79 -11.098 12.741 7.866 522 1HB ASP 79 1HB ASP 79 -9.425 14.410 6.680 523 2HB ASP 79 2HB ASP 79 -10.902 15.208 6.119 524 HD2 ASP 79 HD2 ASP 79 -10.398 17.000 9.048 525 H GLY 80 H GLY 80 -12.177 13.328 4.503 526 1HA GLY 80 1HA GLY 80 -14.600 14.647 5.017 527 2HA GLY 80 2HA GLY 80 -14.190 13.722 3.586 528 H THR 81 H THR 81 -13.810 11.127 4.567 529 HA THR 81 HA THR 81 -15.693 10.239 6.409 530 HB THR 81 HB THR 81 -16.732 10.867 3.686 531 HG1 THR 81 1HG THR 81 -17.916 10.049 6.241 532 1HG2 THR 81 1HG2 THR 81 -16.557 8.260 3.778 533 2HG2 THR 81 2HG2 THR 81 -17.723 8.364 5.119 534 3HG2 THR 81 3HG2 THR 81 -18.173 8.954 3.501 535 H ARG 82 H ARG 82 -16.161 7.777 6.038 536 HA ARG 82 HA ARG 82 -13.659 6.716 5.001 537 1HB ARG 82 1HB ARG 82 -14.021 4.818 6.576 538 2HB ARG 82 2HB ARG 82 -13.966 6.367 7.436 539 1HG ARG 82 1HG ARG 82 -16.681 5.919 6.667 540 2HG ARG 82 2HG ARG 82 -16.090 4.398 7.358 541 1HD ARG 82 1HD ARG 82 -15.088 6.398 9.068 542 2HD ARG 82 2HD ARG 82 -16.732 6.935 8.690 543 HE ARG 82 HE ARG 82 -17.515 5.199 10.029 544 1HH1 ARG 82 1HH1 ARG 82 -14.287 4.365 8.904 545 2HH1 ARG 82 2HH1 ARG 82 -14.210 2.893 9.815 546 1HH2 ARG 82 1HH2 ARG 82 -17.416 3.258 11.231 547 2HH2 ARG 82 2HH2 ARG 82 -16.002 2.259 11.147 548 H TRP 83 H TRP 83 -13.725 4.794 3.673 549 HA TRP 83 HA TRP 83 -16.307 4.411 2.386 550 1HB TRP 83 1HB TRP 83 -13.561 3.410 1.628 551 2HB TRP 83 2HB TRP 83 -15.031 3.255 0.664 552 HD1 TRP 83 HD TRP 83 -12.078 5.266 0.581 553 HE1 TRP 83 1HE TRP 83 -12.358 7.657 -0.500 554 HE3 TRP 83 3HE TRP 83 -17.153 5.385 0.878 555 HZ2 TRP 83 2HZ TRP 83 -14.619 9.293 -1.097 556 HZ3 TRP 83 3HZ TRP 83 -18.319 7.416 0.024 557 HH2 TRP 83 HH TRP 83 -17.136 9.326 -0.937 558 H GLY 84 H GLY 84 -13.546 2.331 3.544 559 1HA GLY 84 1HA GLY 84 -13.570 0.439 4.782 560 2HA GLY 84 2HA GLY 84 -15.274 0.681 5.115 561 H THR 85 H THR 85 -14.070 -1.877 4.514 562 HA THR 85 HA THR 85 -13.920 -3.424 2.770 563 HB THR 85 HB THR 85 -16.599 -2.916 4.006 564 HG1 THR 85 1HG THR 85 -16.042 -5.092 4.671 565 1HG2 THR 85 1HG2 THR 85 -17.675 -3.625 2.054 566 2HG2 THR 85 2HG2 THR 85 -16.216 -4.425 1.423 567 3HG2 THR 85 3HG2 THR 85 -17.184 -5.211 2.693 568 H VAL 86 H VAL 86 -13.025 -2.122 1.025 569 HA VAL 86 HA VAL 86 -15.090 -1.500 -0.974 570 HB VAL 86 HB VAL 86 -12.667 -0.080 -0.050 571 1HG1 VAL 86 1HG1 VAL 86 -12.651 1.033 -2.444 572 2HG1 VAL 86 2HG1 VAL 86 -11.686 -0.424 -2.107 573 3HG1 VAL 86 3HG1 VAL 86 -13.244 -0.566 -2.953 574 1HG2 VAL 86 1HG2 VAL 86 -14.507 1.534 -1.533 575 2HG2 VAL 86 2HG2 VAL 86 -15.439 0.445 -0.478 576 3HG2 VAL 86 3HG2 VAL 86 -14.200 1.515 0.221 577 H ASP 87 H ASP 87 -15.213 -3.396 -2.137 578 HA ASP 87 HA ASP 87 -13.294 -5.222 -2.503 579 1HB ASP 87 1HB ASP 87 -15.528 -4.230 -4.280 580 2HB ASP 87 2HB ASP 87 -14.461 -5.512 -4.870 581 HD2 ASP 87 HD2 ASP 87 -16.783 -7.601 -3.429 582 H CYS 88 H CYS 88 -11.176 -4.862 -3.197 583 HA CYS 88 HA CYS 88 -10.319 -2.657 -4.574 584 1HB CYS 88 1HB CYS 88 -9.241 -5.233 -3.780 585 2HB CYS 88 2HB CYS 88 -8.525 -4.645 -5.292 586 H THR 89 H THR 89 -8.849 -3.531 -6.833 587 HA THR 89 HA THR 89 -9.019 -3.926 -9.015 588 HB THR 89 HB THR 89 -10.041 -5.934 -9.594 589 HG1 THR 89 1HG THR 89 -12.276 -6.111 -9.261 590 1HG2 THR 89 1HG2 THR 89 -9.834 -7.352 -7.800 591 2HG2 THR 89 2HG2 THR 89 -9.392 -5.904 -6.865 592 3HG2 THR 89 3HG2 THR 89 -11.077 -6.477 -6.874 593 H THR 90 H THR 90 -11.252 -2.208 -7.212 594 HA THR 90 HA THR 90 -12.635 -1.288 -9.644 595 HB THR 90 HB THR 90 -13.439 -1.830 -6.828 596 HG1 THR 90 1HG THR 90 -15.283 -2.366 -8.070 597 1HG2 THR 90 1HG2 THR 90 -14.365 0.674 -8.331 598 2HG2 THR 90 2HG2 THR 90 -15.267 -0.068 -6.988 599 3HG2 THR 90 3HG2 THR 90 -13.650 0.620 -6.701 600 H ALA 91 H ALA 91 -10.548 -0.398 -6.919 601 HA ALA 91 HA ALA 91 -10.397 2.291 -8.101 602 1HB ALA 91 1HB ALA 91 -9.756 2.935 -5.666 603 2HB ALA 91 2HB ALA 91 -11.472 2.633 -6.032 604 3HB ALA 91 3HB ALA 91 -10.502 1.383 -5.215 605 H ALA 92 H ALA 92 -8.907 -0.617 -7.967 606 HA ALA 92 HA ALA 92 -6.813 -1.353 -8.013 607 1HB ALA 92 1HB ALA 92 -5.275 0.695 -9.040 608 2HB ALA 92 2HB ALA 92 -6.283 -0.410 -10.005 609 3HB ALA 92 3HB ALA 92 -6.917 1.182 -9.525 610 H CYS 93 H CYS 93 -7.249 -1.013 -5.483 611 HA CYS 93 HA CYS 93 -6.179 0.958 -4.017 612 1HB CYS 93 1HB CYS 93 -5.686 -1.904 -3.272 613 2HB CYS 93 2HB CYS 93 -6.047 -0.528 -2.214 614 H GLN 94 H GLN 94 -4.014 0.931 -2.736 615 HA GLN 94 HA GLN 94 -1.898 -0.061 -4.479 616 1HB GLN 94 1HB GLN 94 -0.727 1.950 -4.396 617 2HB GLN 94 2HB GLN 94 -2.403 2.521 -4.488 618 1HG GLN 94 1HG GLN 94 -2.067 2.240 -1.772 619 2HG GLN 94 2HG GLN 94 -0.433 2.709 -2.264 620 1HE2 GLN 94 1HE2 GLN 94 -0.647 4.675 -1.195 621 2HE2 GLN 94 2HE2 GLN 94 -1.576 5.994 -1.828 622 H VAL 95 H VAL 95 0.123 -0.628 -3.380 623 HA VAL 95 HA VAL 95 -0.105 -0.773 -0.468 624 HB VAL 95 HB VAL 95 0.570 -3.067 -2.321 625 1HG1 VAL 95 1HG1 VAL 95 1.719 -3.977 -0.643 626 2HG1 VAL 95 2HG1 VAL 95 1.395 -2.558 0.379 627 3HG1 VAL 95 3HG1 VAL 95 0.258 -3.927 0.372 628 1HG2 VAL 95 1HG2 VAL 95 -1.656 -3.359 -2.318 629 2HG2 VAL 95 2HG2 VAL 95 -1.456 -3.884 -0.629 630 3HG2 VAL 95 3HG2 VAL 95 -1.897 -2.197 -0.990 631 H GLY 96 H GLY 96 1.469 0.761 -0.057 632 1HA GLY 96 1HA GLY 96 4.113 0.253 -1.288 633 2HA GLY 96 2HA GLY 96 3.496 1.843 -0.887 634 H LEU 97 H LEU 97 5.672 1.844 0.332 635 HA LEU 97 HA LEU 97 5.273 0.618 2.973 636 1HB LEU 97 1HB LEU 97 7.633 0.885 1.208 637 2HB LEU 97 2HB LEU 97 7.901 1.092 2.947 638 HG LEU 97 HG LEU 97 6.489 -1.195 2.989 639 1HD1 LEU 97 1HD1 LEU 97 7.010 -2.648 1.165 640 2HD1 LEU 97 2HD1 LEU 97 6.272 -1.173 0.495 641 3HD1 LEU 97 3HD1 LEU 97 8.033 -1.412 0.394 642 1HD2 LEU 97 1HD2 LEU 97 8.382 -1.623 4.075 643 2HD2 LEU 97 2HD2 LEU 97 9.068 -2.126 2.512 644 3HD2 LEU 97 3HD2 LEU 97 9.299 -0.458 3.090 645 H SER 98 H SER 98 6.060 1.905 4.829 646 HA SER 98 HA SER 98 6.715 4.608 4.406 647 1HB SER 98 1HB SER 98 3.949 4.020 4.375 648 2HB SER 98 2HB SER 98 4.262 4.717 5.975 649 HG SER 98 HG SER 98 4.124 6.580 4.916 650 H ASP 99 H ASP 99 7.150 5.718 6.510 651 HA ASP 99 HA ASP 99 7.747 3.720 8.512 652 1HB ASP 99 1HB ASP 99 8.711 6.238 9.354 653 2HB ASP 99 2HB ASP 99 9.661 4.926 8.642 654 HD2 ASP 99 HD2 ASP 99 10.504 7.240 6.256 655 H ALA 100 H ALA 100 7.547 4.680 10.915 656 HA ALA 100 HA ALA 100 4.846 5.756 11.122 657 1HB ALA 100 1HB ALA 100 6.723 4.477 13.151 658 2HB ALA 100 2HB ALA 100 5.057 5.005 13.486 659 3HB ALA 100 3HB ALA 100 5.356 3.687 12.329 660 H ALA 101 H ALA 101 6.783 7.585 10.145 661 HA ALA 101 HA ALA 101 6.409 9.713 11.889 662 1HB ALA 101 1HB ALA 101 9.220 9.671 12.081 663 2HB ALA 101 2HB ALA 101 8.051 9.433 13.402 664 3HB ALA 101 3HB ALA 101 8.698 8.027 12.523 665 H GLY 102 H GLY 102 8.219 8.087 9.289 666 1HA GLY 102 1HA GLY 102 9.223 10.454 8.070 667 2HA GLY 102 2HA GLY 102 9.111 8.854 7.364 668 H ASN 103 H ASN 103 6.512 8.187 7.178 669 HA ASN 103 HA ASN 103 4.986 10.442 6.315 670 1HB ASN 103 1HB ASN 103 6.601 9.269 4.403 671 2HB ASN 103 2HB ASN 103 5.113 8.332 4.205 672 1HD2 ASN 103 1HD2 ASN 103 6.782 11.087 3.371 673 2HD2 ASN 103 2HD2 ASN 103 5.501 12.052 2.717 674 H GLY 104 H GLY 104 3.049 8.943 4.780 675 1HA GLY 104 1HA GLY 104 2.220 6.838 6.687 676 2HA GLY 104 2HA GLY 104 1.115 8.057 6.083 677 HA PRO 105 HA PRO 105 0.422 5.651 2.543 678 1HB PRO 105 1HB PRO 105 -0.090 7.501 0.600 679 2HB PRO 105 2HB PRO 105 -1.277 7.020 1.810 680 1HG PRO 105 1HG PRO 105 0.365 9.464 1.630 681 2HG PRO 105 2HG PRO 105 -1.152 9.197 2.561 682 1HD PRO 105 1HD PRO 105 1.536 9.324 3.537 683 2HD PRO 105 2HD PRO 105 0.096 8.900 4.468 684 H GLU 106 H GLU 106 0.871 5.817 -0.134 685 HA GLU 106 HA GLU 106 3.532 6.607 -0.590 686 1HB GLU 106 1HB GLU 106 4.095 4.617 0.676 687 2HB GLU 106 2HB GLU 106 2.982 3.625 -0.281 688 1HG GLU 106 1HG GLU 106 4.853 3.135 -1.485 689 2HG GLU 106 2HG GLU 106 4.551 4.697 -2.264 690 HE2 GLU 106 HE2 GLU 106 7.077 6.198 -0.220 691 H GLY 107 H GLY 107 1.686 3.727 -1.803 692 1HA GLY 107 1HA GLY 107 0.169 4.536 -3.770 693 2HA GLY 107 2HA GLY 107 1.724 4.918 -4.480 694 H VAL 108 H VAL 108 1.750 3.364 -6.131 695 HA VAL 108 HA VAL 108 2.367 1.386 -6.957 696 HB VAL 108 HB VAL 108 2.099 0.096 -4.252 697 1HG1 VAL 108 1HG1 VAL 108 4.014 -1.266 -5.135 698 2HG1 VAL 108 2HG1 VAL 108 2.502 -1.440 -6.058 699 3HG1 VAL 108 3HG1 VAL 108 3.821 -0.430 -6.694 700 1HG2 VAL 108 1HG2 VAL 108 3.494 1.736 -3.511 701 2HG2 VAL 108 2HG2 VAL 108 4.719 0.702 -4.286 702 3HG2 VAL 108 3HG2 VAL 108 4.086 2.128 -5.143 703 H ALA 109 H ALA 109 0.233 1.748 -7.982 704 HA ALA 109 HA ALA 109 -2.071 0.553 -6.820 705 1HB ALA 109 1HB ALA 109 -2.996 0.998 -9.147 706 2HB ALA 109 2HB ALA 109 -2.337 2.422 -8.305 707 3HB ALA 109 3HB ALA 109 -1.388 1.624 -9.582 708 H ILE 110 H ILE 110 -2.172 -1.620 -6.496 709 HA ILE 110 HA ILE 110 -0.943 -3.334 -8.519 710 HB ILE 110 HB ILE 110 -1.758 -3.749 -5.653 711 1HG1 ILE 110 1HG1 ILE 110 0.855 -4.664 -6.271 712 2HG1 ILE 110 2HG1 ILE 110 0.677 -3.051 -6.985 713 1HG2 ILE 110 1HG2 ILE 110 -1.160 -5.804 -7.771 714 2HG2 ILE 110 2HG2 ILE 110 -0.806 -6.110 -6.054 715 3HG2 ILE 110 3HG2 ILE 110 -2.473 -5.767 -6.571 716 1HD1 ILE 110 1HD1 ILE 110 0.593 -3.910 -4.107 717 2HD1 ILE 110 2HD1 ILE 110 1.309 -2.452 -4.837 718 3HD1 ILE 110 3HD1 ILE 110 -0.451 -2.551 -4.590 719 H SER 111 H SER 111 -2.144 -5.190 -9.355 720 HA SER 111 HA SER 111 -4.983 -4.551 -9.448 721 1HB SER 111 1HB SER 111 -3.099 -5.008 -11.491 722 2HB SER 111 2HB SER 111 -4.093 -6.475 -11.459 723 HG SER 111 HG SER 111 -4.734 -4.365 -12.752 724 H PHE 112 H PHE 112 -6.321 -5.920 -8.331 725 HA PHE 112 HA PHE 112 -5.226 -8.455 -7.452 726 1HB PHE 112 1HB PHE 112 -7.952 -7.134 -6.968 727 2HB PHE 112 2HB PHE 112 -7.207 -8.381 -5.962 728 HD1 PHE 112 1HD PHE 112 -5.807 -7.782 -4.174 729 HD2 PHE 112 2HD PHE 112 -6.875 -4.850 -7.051 730 HE1 PHE 112 1HE PHE 112 -4.806 -5.994 -2.724 731 HE2 PHE 112 2HE PHE 112 -5.874 -3.063 -5.601 732 HZ PHE 112 HZ PHE 112 -4.851 -3.656 -3.455 733 H ASN 113 H ASN 113 -5.644 -10.358 -8.465 734 HA ASN 113 HA ASN 113 -6.469 -11.784 -9.881 735 1HB ASN 113 1HB ASN 113 -8.457 -11.253 -8.115 736 2HB ASN 113 2HB ASN 113 -9.289 -10.756 -9.598 737 1HD2 ASN 113 1HD2 ASN 113 -10.440 -12.265 -10.504 738 2HD2 ASN 113 2HD2 ASN 113 -10.148 -13.972 -10.488 Start of MODEL 38 1 H ALA 1 H ALA 1 8.822 11.627 -1.577 2 HA ALA 1 HA ALA 1 7.898 10.343 0.270 3 1HB ALA 1 1HB ALA 1 6.499 10.120 -2.423 4 2HB ALA 1 2HB ALA 1 5.715 9.761 -0.866 5 3HB ALA 1 3HB ALA 1 6.308 11.404 -1.204 6 H ALA 2 H ALA 2 7.003 8.236 -2.477 7 HA ALA 2 HA ALA 2 8.694 6.104 -1.520 8 1HB ALA 2 1HB ALA 2 5.663 6.025 -1.277 9 2HB ALA 2 2HB ALA 2 6.708 4.588 -1.183 10 3HB ALA 2 3HB ALA 2 6.855 5.877 0.035 11 HA PRO 3 HA PRO 3 7.454 6.272 -5.959 12 1HB PRO 3 1HB PRO 3 9.712 7.350 -7.057 13 2HB PRO 3 2HB PRO 3 8.270 8.297 -6.692 14 1HG PRO 3 1HG PRO 3 10.840 8.121 -5.253 15 2HG PRO 3 2HG PRO 3 9.590 9.413 -5.165 16 1HD PRO 3 1HD PRO 3 10.154 7.348 -3.263 17 2HD PRO 3 2HD PRO 3 8.811 8.496 -3.205 18 H THR 4 H THR 4 9.723 4.923 -3.983 19 HA THR 4 HA THR 4 10.692 3.167 -6.126 20 HB THR 4 HB THR 4 11.659 3.538 -3.243 21 HG1 THR 4 1HG THR 4 13.352 4.741 -4.594 22 1HG2 THR 4 1HG2 THR 4 12.732 1.565 -3.936 23 2HG2 THR 4 2HG2 THR 4 12.615 1.991 -5.660 24 3HG2 THR 4 3HG2 THR 4 13.835 2.778 -4.631 25 H ALA 5 H ALA 5 8.212 3.379 -3.842 26 HA ALA 5 HA ALA 5 8.245 0.710 -2.895 27 1HB ALA 5 1HB ALA 5 5.601 1.858 -2.955 28 2HB ALA 5 2HB ALA 5 6.676 1.603 -1.560 29 3HB ALA 5 3HB ALA 5 6.772 3.116 -2.491 30 H THR 6 H THR 6 7.897 -1.099 -4.071 31 HA THR 6 HA THR 6 5.805 -1.054 -6.089 32 HB THR 6 HB THR 6 7.373 -1.978 -7.811 33 HG1 THR 6 1HG THR 6 9.421 -2.475 -7.085 34 1HG2 THR 6 1HG2 THR 6 8.529 0.039 -8.376 35 2HG2 THR 6 2HG2 THR 6 7.115 0.612 -7.458 36 3HG2 THR 6 3HG2 THR 6 8.708 0.511 -6.669 37 H VAL 7 H VAL 7 5.135 -3.215 -6.761 38 HA VAL 7 HA VAL 7 5.869 -5.186 -4.706 39 HB VAL 7 HB VAL 7 3.252 -5.094 -6.189 40 1HG1 VAL 7 1HG1 VAL 7 2.675 -6.836 -4.904 41 2HG1 VAL 7 2HG1 VAL 7 4.397 -6.955 -4.465 42 3HG1 VAL 7 3HG1 VAL 7 3.274 -6.045 -3.426 43 1HG2 VAL 7 1HG2 VAL 7 3.579 -3.898 -3.441 44 2HG2 VAL 7 2HG2 VAL 7 3.837 -2.914 -4.900 45 3HG2 VAL 7 3HG2 VAL 7 2.259 -3.687 -4.615 46 H THR 8 H THR 8 6.071 -7.401 -5.389 47 HA THR 8 HA THR 8 7.510 -7.879 -7.609 48 HB THR 8 HB THR 8 5.848 -9.423 -5.706 49 HG1 THR 8 1HG THR 8 8.279 -9.887 -7.289 50 1HG2 THR 8 1HG2 THR 8 5.864 -11.509 -6.997 51 2HG2 THR 8 2HG2 THR 8 4.943 -10.301 -7.926 52 3HG2 THR 8 3HG2 THR 8 6.618 -10.689 -8.386 53 HA PRO 9 HA PRO 9 3.693 -8.616 -10.240 54 1HB PRO 9 1HB PRO 9 1.193 -8.147 -9.244 55 2HB PRO 9 2HB PRO 9 1.941 -9.742 -9.259 56 1HG PRO 9 1HG PRO 9 1.571 -7.841 -7.034 57 2HG PRO 9 2HG PRO 9 1.880 -9.612 -6.956 58 1HD PRO 9 1HD PRO 9 3.703 -7.464 -6.446 59 2HD PRO 9 2HD PRO 9 4.096 -9.186 -6.514 60 H SER 10 H SER 10 1.309 -7.130 -10.739 61 HA SER 10 HA SER 10 2.002 -4.418 -10.323 62 1HB SER 10 1HB SER 10 3.551 -4.810 -12.136 63 2HB SER 10 2HB SER 10 2.308 -5.620 -13.107 64 HG SER 10 HG SER 10 1.684 -3.712 -13.835 65 H SER 11 H SER 11 0.024 -7.047 -11.534 66 HA SER 11 HA SER 11 -2.313 -5.593 -11.043 67 1HB SER 11 1HB SER 11 -3.096 -6.055 -13.566 68 2HB SER 11 2HB SER 11 -2.344 -4.523 -13.086 69 HG SER 11 HG SER 11 -1.329 -5.322 -14.982 70 H GLY 12 H GLY 12 -4.316 -7.008 -11.758 71 1HA GLY 12 1HA GLY 12 -5.376 -8.990 -11.751 72 2HA GLY 12 2HA GLY 12 -3.956 -9.700 -12.492 73 H LEU 13 H LEU 13 -3.866 -7.977 -9.355 74 HA LEU 13 HA LEU 13 -2.603 -10.162 -8.105 75 1HB LEU 13 1HB LEU 13 -3.915 -7.804 -6.778 76 2HB LEU 13 2HB LEU 13 -2.589 -8.804 -6.157 77 HG LEU 13 HG LEU 13 -2.566 -6.621 -8.210 78 1HD1 LEU 13 1HD1 LEU 13 -0.229 -6.506 -6.791 79 2HD1 LEU 13 2HD1 LEU 13 -1.728 -5.636 -6.382 80 3HD1 LEU 13 3HD1 LEU 13 -1.355 -7.186 -5.591 81 1HD2 LEU 13 1HD2 LEU 13 -1.599 -8.768 -9.216 82 2HD2 LEU 13 2HD2 LEU 13 -0.575 -7.311 -9.235 83 3HD2 LEU 13 3HD2 LEU 13 -0.286 -8.587 -8.028 84 H SER 14 H SER 14 -4.319 -9.611 -5.547 85 HA SER 14 HA SER 14 -6.823 -10.737 -6.157 86 1HB SER 14 1HB SER 14 -5.040 -12.679 -6.289 87 2HB SER 14 2HB SER 14 -5.108 -12.610 -4.518 88 HG SER 14 HG SER 14 -7.343 -13.085 -4.600 89 H ASP 15 H ASP 15 -8.125 -11.073 -4.112 90 HA ASP 15 HA ASP 15 -7.828 -8.999 -2.402 91 1HB ASP 15 1HB ASP 15 -9.829 -10.549 -2.735 92 2HB ASP 15 2HB ASP 15 -9.036 -11.698 -1.648 93 HD2 ASP 15 HD2 ASP 15 -9.497 -8.894 0.807 94 H GLY 16 H GLY 16 -5.653 -8.826 -1.552 95 1HA GLY 16 1HA GLY 16 -4.369 -9.103 0.365 96 2HA GLY 16 2HA GLY 16 -5.068 -10.688 0.630 97 H THR 17 H THR 17 -3.601 -9.286 -2.374 98 HA THR 17 HA THR 17 -2.177 -11.655 -2.932 99 HB THR 17 HB THR 17 -2.444 -8.861 -4.009 100 HG1 THR 17 1HG THR 17 -3.550 -11.069 -4.516 101 1HG2 THR 17 1HG2 THR 17 -0.697 -9.784 -5.811 102 2HG2 THR 17 2HG2 THR 17 -0.115 -8.877 -4.394 103 3HG2 THR 17 3HG2 THR 17 -0.034 -10.655 -4.407 104 H VAL 18 H VAL 18 -1.180 -12.075 -0.814 105 HA VAL 18 HA VAL 18 0.829 -10.298 0.117 106 HB VAL 18 HB VAL 18 0.476 -13.229 0.746 107 1HG1 VAL 18 1HG1 VAL 18 2.195 -12.852 2.120 108 2HG1 VAL 18 2HG1 VAL 18 2.182 -11.110 1.751 109 3HG1 VAL 18 3HG1 VAL 18 1.142 -11.755 3.044 110 1HG2 VAL 18 1HG2 VAL 18 -1.635 -12.647 1.320 111 2HG2 VAL 18 2HG2 VAL 18 -0.840 -11.966 2.760 112 3HG2 VAL 18 3HG2 VAL 18 -1.254 -10.910 1.389 113 H VAL 19 H VAL 19 2.282 -9.838 -1.573 114 HA VAL 19 HA VAL 19 3.847 -12.167 -2.450 115 HB VAL 19 HB VAL 19 4.358 -10.658 -4.450 116 1HG1 VAL 19 1HG1 VAL 19 1.974 -12.289 -3.863 117 2HG1 VAL 19 2HG1 VAL 19 1.785 -11.183 -5.245 118 3HG1 VAL 19 3HG1 VAL 19 3.114 -12.367 -5.228 119 1HG2 VAL 19 1HG2 VAL 19 1.885 -9.251 -3.390 120 2HG2 VAL 19 2HG2 VAL 19 3.510 -8.554 -3.592 121 3HG2 VAL 19 3HG2 VAL 19 2.563 -9.033 -5.022 122 H LYS 20 H LYS 20 6.073 -10.987 -3.472 123 HA LYS 20 HA LYS 20 7.252 -9.879 -1.071 124 1HB LYS 20 1HB LYS 20 8.184 -11.784 -2.540 125 2HB LYS 20 2HB LYS 20 8.716 -10.492 -3.632 126 1HG LYS 20 1HG LYS 20 9.878 -9.412 -1.680 127 2HG LYS 20 2HG LYS 20 9.437 -10.806 -0.680 128 1HD LYS 20 1HD LYS 20 11.036 -12.129 -1.620 129 2HD LYS 20 2HD LYS 20 10.752 -11.501 -3.254 130 1HE LYS 20 1HE LYS 20 11.910 -9.331 -2.356 131 2HE LYS 20 2HE LYS 20 12.503 -10.364 -1.048 132 1HZ LYS 20 1HZ LYS 20 13.642 -11.669 -2.571 133 2HZ LYS 20 2HZ LYS 20 12.831 -11.088 -3.864 134 3HZ LYS 20 3HZ LYS 20 13.918 -10.145 -3.093 135 H VAL 21 H VAL 21 7.589 -7.746 -0.736 136 HA VAL 21 HA VAL 21 7.272 -6.001 -3.075 137 HB VAL 21 HB VAL 21 6.626 -5.720 -0.155 138 1HG1 VAL 21 1HG1 VAL 21 6.792 -3.407 -2.115 139 2HG1 VAL 21 2HG1 VAL 21 6.297 -3.336 -0.407 140 3HG1 VAL 21 3HG1 VAL 21 7.979 -3.738 -0.830 141 1HG2 VAL 21 1HG2 VAL 21 5.126 -5.502 -2.762 142 2HG2 VAL 21 2HG2 VAL 21 4.763 -6.493 -1.329 143 3HG2 VAL 21 3HG2 VAL 21 4.503 -4.733 -1.282 144 H ALA 22 H ALA 22 8.749 -4.227 -3.352 145 HA ALA 22 HA ALA 22 11.109 -4.278 -1.643 146 1HB ALA 22 1HB ALA 22 11.211 -4.547 -4.675 147 2HB ALA 22 2HB ALA 22 12.606 -4.431 -3.577 148 3HB ALA 22 3HB ALA 22 11.544 -5.857 -3.518 149 H GLY 23 H GLY 23 12.454 -2.302 -1.949 150 1HA GLY 23 1HA GLY 23 12.754 -0.104 -2.398 151 2HA GLY 23 2HA GLY 23 11.437 -0.157 -3.552 152 H ALA 24 H ALA 24 10.744 1.951 -2.681 153 HA ALA 24 HA ALA 24 8.579 2.222 -1.396 154 1HB ALA 24 1HB ALA 24 9.016 0.682 0.378 155 2HB ALA 24 2HB ALA 24 10.583 1.440 0.747 156 3HB ALA 24 3HB ALA 24 9.069 2.302 1.114 157 H GLY 25 H GLY 25 10.088 3.711 1.108 158 1HA GLY 25 1HA GLY 25 10.162 6.243 -0.251 159 2HA GLY 25 2HA GLY 25 10.461 5.924 1.446 160 H LEU 26 H LEU 26 12.312 3.721 -0.353 161 HA LEU 26 HA LEU 26 14.541 3.512 -0.395 162 1HB LEU 26 1HB LEU 26 14.119 4.226 -2.582 163 2HB LEU 26 2HB LEU 26 13.965 5.925 -2.100 164 HG LEU 26 HG LEU 26 16.525 5.409 -1.346 165 1HD1 LEU 26 1HD1 LEU 26 17.330 4.249 -3.638 166 2HD1 LEU 26 2HD1 LEU 26 17.054 3.355 -2.124 167 3HD1 LEU 26 3HD1 LEU 26 15.797 3.382 -3.384 168 1HD2 LEU 26 1HD2 LEU 26 16.189 6.133 -4.206 169 2HD2 LEU 26 2HD2 LEU 26 15.306 7.120 -3.017 170 3HD2 LEU 26 3HD2 LEU 26 17.075 6.958 -2.901 171 H GLN 27 H GLN 27 14.473 4.009 2.042 172 HA GLN 27 HA GLN 27 15.469 6.605 2.708 173 1HB GLN 27 1HB GLN 27 14.789 4.119 4.302 174 2HB GLN 27 2HB GLN 27 15.545 5.529 5.063 175 1HG GLN 27 1HG GLN 27 13.654 6.838 4.815 176 2HG GLN 27 2HG GLN 27 13.126 6.007 3.343 177 1HE2 GLN 27 1HE2 GLN 27 11.585 6.705 5.668 178 2HE2 GLN 27 2HE2 GLN 27 10.952 5.246 6.355 179 H ALA 28 H ALA 28 16.821 4.084 4.661 180 HA ALA 28 HA ALA 28 19.066 3.321 3.290 181 1HB ALA 28 1HB ALA 28 19.159 6.093 3.740 182 2HB ALA 28 2HB ALA 28 20.214 5.392 4.992 183 3HB ALA 28 3HB ALA 28 20.517 5.040 3.273 184 H GLY 29 H GLY 29 17.830 1.690 4.740 185 1HA GLY 29 1HA GLY 29 18.170 0.225 6.440 186 2HA GLY 29 2HA GLY 29 19.442 1.247 7.077 187 H THR 30 H THR 30 15.971 2.026 6.369 188 HA THR 30 HA THR 30 15.637 2.561 9.248 189 HB THR 30 HB THR 30 14.687 4.171 6.821 190 HG1 THR 30 1HG THR 30 16.241 5.624 7.713 191 1HG2 THR 30 1HG2 THR 30 14.160 4.472 9.820 192 2HG2 THR 30 2HG2 THR 30 13.979 5.812 8.662 193 3HG2 THR 30 3HG2 THR 30 12.947 4.369 8.521 194 H ALA 31 H ALA 31 13.327 2.516 9.968 195 HA ALA 31 HA ALA 31 12.201 0.061 9.207 196 1HB ALA 31 1HB ALA 31 10.201 1.303 10.553 197 2HB ALA 31 2HB ALA 31 11.616 0.581 11.357 198 3HB ALA 31 3HB ALA 31 11.572 2.331 11.035 199 H TYR 32 H TYR 32 10.044 -0.309 8.251 200 HA TYR 32 HA TYR 32 9.086 1.881 6.577 201 1HB TYR 32 1HB TYR 32 10.454 -0.691 5.845 202 2HB TYR 32 2HB TYR 32 8.963 -0.394 4.944 203 HD1 TYR 32 1HD TYR 32 9.189 2.644 4.790 204 HD2 TYR 32 2HD TYR 32 12.045 -0.467 4.107 205 HE1 TYR 32 1HE TYR 32 10.474 4.161 3.205 206 HE2 TYR 32 2HE TYR 32 13.319 1.060 2.524 207 HH TYR 32 HH TYR 32 12.470 4.437 2.204 208 H ASP 33 H ASP 33 7.433 1.707 8.387 209 HA ASP 33 HA ASP 33 5.955 -0.570 8.775 210 1HB ASP 33 1HB ASP 33 5.631 2.350 9.235 211 2HB ASP 33 2HB ASP 33 4.111 1.444 9.177 212 HD2 ASP 33 HD2 ASP 33 4.580 0.265 12.348 213 H VAL 34 H VAL 34 4.723 -1.666 7.239 214 HA VAL 34 HA VAL 34 4.162 -0.777 4.724 215 HB VAL 34 HB VAL 34 2.631 -2.720 6.463 216 1HG1 VAL 34 1HG1 VAL 34 1.848 -3.719 4.349 217 2HG1 VAL 34 2HG1 VAL 34 1.279 -2.044 4.541 218 3HG1 VAL 34 3HG1 VAL 34 2.632 -2.404 3.442 219 1HG2 VAL 34 1HG2 VAL 34 4.003 -4.403 5.126 220 2HG2 VAL 34 2HG2 VAL 34 5.010 -3.026 4.615 221 3HG2 VAL 34 3HG2 VAL 34 4.886 -3.445 6.340 222 H GLY 35 H GLY 35 2.122 -0.102 3.686 223 1HA GLY 35 1HA GLY 35 0.316 1.345 5.519 224 2HA GLY 35 2HA GLY 35 1.041 2.154 4.144 225 H GLN 36 H GLN 36 0.502 1.446 1.944 226 HA GLN 36 HA GLN 36 -0.781 0.651 0.375 227 1HB GLN 36 1HB GLN 36 -0.728 -1.585 0.962 228 2HB GLN 36 2HB GLN 36 -1.465 -1.311 2.550 229 1HG GLN 36 1HG GLN 36 -3.526 -1.714 1.724 230 2HG GLN 36 2HG GLN 36 -3.302 -0.544 0.415 231 1HE2 GLN 36 1HE2 GLN 36 -3.336 -1.308 -1.550 232 2HE2 GLN 36 2HE2 GLN 36 -2.995 -2.928 -2.057 233 H CYS 37 H CYS 37 -2.152 2.254 -0.288 234 HA CYS 37 HA CYS 37 -4.551 2.650 1.348 235 1HB CYS 37 1HB CYS 37 -3.139 4.775 -0.251 236 2HB CYS 37 2HB CYS 37 -4.540 4.990 0.812 237 H ALA 38 H ALA 38 -6.146 4.083 -0.309 238 HA ALA 38 HA ALA 38 -6.015 2.824 -2.943 239 1HB ALA 38 1HB ALA 38 -7.444 1.442 -1.378 240 2HB ALA 38 2HB ALA 38 -8.520 2.850 -1.218 241 3HB ALA 38 3HB ALA 38 -8.303 2.072 -2.804 242 H TRP 39 H TRP 39 -5.623 4.704 -4.077 243 HA TRP 39 HA TRP 39 -6.970 7.131 -3.353 244 1HB TRP 39 1HB TRP 39 -5.446 8.148 -4.608 245 2HB TRP 39 2HB TRP 39 -4.595 6.605 -4.513 246 HD1 TRP 39 HD TRP 39 -4.658 5.062 -6.788 247 HE1 TRP 39 1HE TRP 39 -5.042 5.587 -9.345 248 HE3 TRP 39 3HE TRP 39 -6.748 9.642 -6.072 249 HZ2 TRP 39 2HZ TRP 39 -6.153 7.810 -10.750 250 HZ3 TRP 39 3HZ TRP 39 -7.455 10.924 -8.090 251 HH2 TRP 39 HH TRP 39 -7.186 10.078 -10.366 252 H VAL 40 H VAL 40 -8.900 7.865 -4.182 253 HA VAL 40 HA VAL 40 -10.014 6.307 -6.412 254 HB VAL 40 HB VAL 40 -11.585 7.760 -4.289 255 1HG1 VAL 40 1HG1 VAL 40 -12.512 5.365 -5.851 256 2HG1 VAL 40 2HG1 VAL 40 -13.459 6.687 -5.128 257 3HG1 VAL 40 3HG1 VAL 40 -12.519 6.973 -6.612 258 1HG2 VAL 40 1HG2 VAL 40 -11.002 4.790 -4.252 259 2HG2 VAL 40 2HG2 VAL 40 -10.029 5.971 -3.341 260 3HG2 VAL 40 3HG2 VAL 40 -11.765 5.788 -2.990 261 H ASP 41 H ASP 41 -9.474 9.507 -4.901 262 HA ASP 41 HA ASP 41 -9.475 10.702 -7.446 263 1HB ASP 41 1HB ASP 41 -11.991 10.563 -6.122 264 2HB ASP 41 2HB ASP 41 -11.437 12.234 -5.932 265 HD2 ASP 41 HD2 ASP 41 -12.249 12.982 -9.163 266 H THR 42 H THR 42 -9.672 13.388 -6.820 267 HA THR 42 HA THR 42 -7.399 13.865 -5.245 268 HB THR 42 HB THR 42 -9.646 15.682 -6.264 269 HG1 THR 42 1HG THR 42 -7.725 16.022 -7.816 270 1HG2 THR 42 1HG2 THR 42 -6.850 16.681 -5.939 271 2HG2 THR 42 2HG2 THR 42 -8.391 17.526 -5.654 272 3HG2 THR 42 3HG2 THR 42 -7.733 16.432 -4.413 273 H GLY 43 H GLY 43 -7.561 12.914 -3.205 274 1HA GLY 43 1HA GLY 43 -7.823 13.514 -0.956 275 2HA GLY 43 2HA GLY 43 -9.249 14.449 -1.356 276 H VAL 44 H VAL 44 -9.669 11.766 -3.225 277 HA VAL 44 HA VAL 44 -11.331 10.522 -1.177 278 HB VAL 44 HB VAL 44 -11.308 9.892 -4.118 279 1HG1 VAL 44 1HG1 VAL 44 -12.612 8.616 -2.206 280 2HG1 VAL 44 2HG1 VAL 44 -13.745 9.980 -2.371 281 3HG1 VAL 44 3HG1 VAL 44 -13.382 8.948 -3.776 282 1HG2 VAL 44 1HG2 VAL 44 -12.902 12.125 -2.818 283 2HG2 VAL 44 2HG2 VAL 44 -11.461 12.364 -3.836 284 3HG2 VAL 44 3HG2 VAL 44 -12.931 11.638 -4.530 285 H LEU 45 H LEU 45 -8.597 10.135 -0.751 286 HA LEU 45 HA LEU 45 -8.181 7.407 -1.751 287 1HB LEU 45 1HB LEU 45 -6.450 8.803 -2.493 288 2HB LEU 45 2HB LEU 45 -6.264 9.569 -0.906 289 HG LEU 45 HG LEU 45 -5.781 6.629 -1.133 290 1HD1 LEU 45 1HD1 LEU 45 -4.483 8.447 -2.870 291 2HD1 LEU 45 2HD1 LEU 45 -3.309 8.002 -1.609 292 3HD1 LEU 45 3HD1 LEU 45 -4.101 6.734 -2.575 293 1HD2 LEU 45 1HD2 LEU 45 -4.559 8.882 0.481 294 2HD2 LEU 45 2HD2 LEU 45 -5.652 7.598 1.054 295 3HD2 LEU 45 3HD2 LEU 45 -4.001 7.192 0.526 296 H ALA 46 H ALA 46 -8.663 5.828 -0.332 297 HA ALA 46 HA ALA 46 -8.622 6.539 2.511 298 1HB ALA 46 1HB ALA 46 -10.523 5.260 0.874 299 2HB ALA 46 2HB ALA 46 -9.797 3.958 1.847 300 3HB ALA 46 3HB ALA 46 -10.535 5.364 2.651 301 H CYS 47 H CYS 47 -6.861 5.915 3.647 302 HA CYS 47 HA CYS 47 -4.981 4.143 2.497 303 1HB CYS 47 1HB CYS 47 -5.188 5.863 4.840 304 2HB CYS 47 2HB CYS 47 -4.288 4.369 5.155 305 H ASN 48 H ASN 48 -4.161 2.181 3.896 306 HA ASN 48 HA ASN 48 -6.527 0.803 4.900 307 1HB ASN 48 1HB ASN 48 -5.337 -0.003 2.699 308 2HB ASN 48 2HB ASN 48 -4.076 -0.615 3.780 309 1HD2 ASN 48 1HD2 ASN 48 -6.497 -1.618 2.023 310 2HD2 ASN 48 2HD2 ASN 48 -7.194 -2.879 2.983 311 HA PRO 49 HA PRO 49 -3.307 1.086 8.156 312 1HB PRO 49 1HB PRO 49 -4.846 2.204 10.117 313 2HB PRO 49 2HB PRO 49 -3.824 3.150 9.037 314 1HG PRO 49 1HG PRO 49 -6.748 2.758 9.020 315 2HG PRO 49 2HG PRO 49 -5.786 4.069 8.247 316 1HD PRO 49 1HD PRO 49 -7.032 1.809 7.007 317 2HD PRO 49 2HD PRO 49 -5.963 2.983 6.229 318 H ALA 50 H ALA 50 -5.147 -1.045 7.259 319 HA ALA 50 HA ALA 50 -5.706 -2.224 9.883 320 1HB ALA 50 1HB ALA 50 -7.357 -1.929 7.755 321 2HB ALA 50 2HB ALA 50 -6.642 -3.510 7.361 322 3HB ALA 50 3HB ALA 50 -7.488 -3.277 8.910 323 H ASP 51 H ASP 51 -3.529 -2.243 7.183 324 HA ASP 51 HA ASP 51 -2.854 -4.940 7.203 325 1HB ASP 51 1HB ASP 51 -1.980 -3.925 5.341 326 2HB ASP 51 2HB ASP 51 -1.706 -2.388 6.172 327 HD2 ASP 51 HD2 ASP 51 1.563 -3.236 6.949 328 H PHE 52 H PHE 52 -1.056 -2.030 8.491 329 HA PHE 52 HA PHE 52 0.052 -1.749 10.403 330 1HB PHE 52 1HB PHE 52 -1.652 -3.838 11.017 331 2HB PHE 52 2HB PHE 52 -0.096 -4.657 11.193 332 HD1 PHE 52 1HD PHE 52 -2.158 -1.848 12.422 333 HD2 PHE 52 2HD PHE 52 1.275 -4.252 13.085 334 HE1 PHE 52 1HE PHE 52 -1.931 -0.889 14.731 335 HE2 PHE 52 2HE PHE 52 1.502 -3.293 15.393 336 HZ PHE 52 HZ PHE 52 -0.104 -1.622 16.189 337 H SER 53 H SER 53 0.604 -4.564 8.323 338 HA SER 53 HA SER 53 2.875 -5.618 9.026 339 1HB SER 53 1HB SER 53 2.221 -4.521 6.266 340 2HB SER 53 2HB SER 53 3.533 -5.671 6.575 341 HG SER 53 HG SER 53 2.004 -7.144 6.279 342 H SER 54 H SER 54 5.222 -5.212 8.566 343 HA SER 54 HA SER 54 5.974 -2.556 7.908 344 1HB SER 54 1HB SER 54 7.248 -2.231 10.093 345 2HB SER 54 2HB SER 54 5.488 -2.053 10.200 346 HG SER 54 HG SER 54 7.195 -4.115 11.199 347 H VAL 55 H VAL 55 8.280 -2.418 7.457 348 HA VAL 55 HA VAL 55 9.825 -4.838 7.901 349 HB VAL 55 HB VAL 55 8.500 -4.875 5.666 350 1HG1 VAL 55 1HG1 VAL 55 8.968 -2.663 4.857 351 2HG1 VAL 55 2HG1 VAL 55 10.723 -2.914 5.018 352 3HG1 VAL 55 3HG1 VAL 55 9.803 -3.819 3.792 353 1HG2 VAL 55 1HG2 VAL 55 10.988 -5.557 4.632 354 2HG2 VAL 55 2HG2 VAL 55 11.201 -5.730 6.391 355 3HG2 VAL 55 3HG2 VAL 55 9.902 -6.620 5.558 356 H THR 56 H THR 56 11.975 -4.019 6.137 357 HA THR 56 HA THR 56 12.667 -1.358 7.139 358 HB THR 56 HB THR 56 14.068 -3.997 7.719 359 HG1 THR 56 1HG THR 56 13.944 -2.964 9.824 360 1HG2 THR 56 1HG2 THR 56 15.830 -2.490 6.788 361 2HG2 THR 56 2HG2 THR 56 15.262 -1.176 7.847 362 3HG2 THR 56 3HG2 THR 56 15.997 -2.636 8.554 363 H ALA 57 H ALA 57 14.551 -0.410 6.012 364 HA ALA 57 HA ALA 57 14.299 -0.944 3.218 365 1HB ALA 57 1HB ALA 57 16.082 0.934 4.820 366 2HB ALA 57 2HB ALA 57 15.918 0.947 3.047 367 3HB ALA 57 3HB ALA 57 14.517 1.335 4.074 368 H ASP 58 H ASP 58 16.835 -0.619 2.167 369 HA ASP 58 HA ASP 58 18.454 -2.654 3.426 370 1HB ASP 58 1HB ASP 58 18.785 -3.804 1.244 371 2HB ASP 58 2HB ASP 58 17.106 -3.900 1.794 372 HD2 ASP 58 HD2 ASP 58 16.807 -3.077 -1.628 373 H ALA 59 H ALA 59 20.700 -2.230 3.083 374 HA ALA 59 HA ALA 59 21.866 -0.011 2.803 375 1HB ALA 59 1HB ALA 59 22.547 -2.667 1.959 376 2HB ALA 59 2HB ALA 59 23.212 -1.519 0.773 377 3HB ALA 59 3HB ALA 59 23.632 -1.361 2.495 378 H ASN 60 H ASN 60 20.408 1.562 1.860 379 HA ASN 60 HA ASN 60 21.073 2.733 -0.325 380 1HB ASN 60 1HB ASN 60 20.887 0.942 -1.865 381 2HB ASN 60 2HB ASN 60 19.403 0.324 -1.130 382 1HD2 ASN 60 1HD2 ASN 60 17.879 0.440 -2.596 383 2HD2 ASN 60 2HD2 ASN 60 17.469 1.813 -3.569 384 H GLY 61 H GLY 61 18.302 1.212 1.352 385 1HA GLY 61 1HA GLY 61 16.824 2.711 2.544 386 2HA GLY 61 2HA GLY 61 16.824 3.765 1.144 387 H SER 62 H SER 62 16.921 0.812 -0.297 388 HA SER 62 HA SER 62 14.128 0.905 -0.827 389 1HB SER 62 1HB SER 62 15.400 0.412 -2.725 390 2HB SER 62 2HB SER 62 16.476 -0.698 -1.854 391 HG SER 62 HG SER 62 15.111 -1.975 -3.110 392 H ALA 63 H ALA 63 12.537 -0.604 -0.187 393 HA ALA 63 HA ALA 63 13.254 -2.201 2.107 394 1HB ALA 63 1HB ALA 63 11.119 -0.690 1.608 395 2HB ALA 63 2HB ALA 63 10.520 -2.189 0.860 396 3HB ALA 63 3HB ALA 63 10.988 -2.177 2.578 397 H SER 64 H SER 64 12.190 -4.500 2.199 398 HA SER 64 HA SER 64 11.884 -5.842 -0.243 399 1HB SER 64 1HB SER 64 14.459 -6.396 1.283 400 2HB SER 64 2HB SER 64 13.880 -7.308 -0.123 401 HG SER 64 HG SER 64 15.343 -5.828 -0.938 402 H THR 65 H THR 65 10.222 -7.166 0.397 403 HA THR 65 HA THR 65 10.573 -9.218 2.238 404 HB THR 65 HB THR 65 10.611 -7.353 3.913 405 HG1 THR 65 1HG THR 65 9.456 -8.859 5.047 406 1HG2 THR 65 1HG2 THR 65 9.219 -5.607 3.059 407 2HG2 THR 65 2HG2 THR 65 7.931 -6.748 2.600 408 3HG2 THR 65 3HG2 THR 65 8.209 -6.362 4.314 409 H SER 66 H SER 66 7.656 -8.894 3.177 410 HA SER 66 HA SER 66 6.421 -9.297 0.577 411 1HB SER 66 1HB SER 66 6.155 -11.127 2.995 412 2HB SER 66 2HB SER 66 5.173 -11.261 1.525 413 HG SER 66 HG SER 66 7.964 -11.197 1.117 414 H LEU 67 H LEU 67 4.578 -8.067 0.396 415 HA LEU 67 HA LEU 67 3.316 -7.230 2.914 416 1HB LEU 67 1HB LEU 67 4.218 -5.749 0.560 417 2HB LEU 67 2HB LEU 67 2.564 -5.362 1.063 418 HG LEU 67 HG LEU 67 3.343 -4.723 3.263 419 1HD1 LEU 67 1HD1 LEU 67 5.604 -4.824 3.992 420 2HD1 LEU 67 2HD1 LEU 67 5.188 -6.434 3.358 421 3HD1 LEU 67 3HD1 LEU 67 6.175 -5.319 2.381 422 1HD2 LEU 67 1HD2 LEU 67 5.169 -3.424 1.229 423 2HD2 LEU 67 2HD2 LEU 67 3.423 -3.095 1.348 424 3HD2 LEU 67 3HD2 LEU 67 4.495 -2.714 2.716 425 H THR 68 H THR 68 0.944 -6.877 2.785 426 HA THR 68 HA THR 68 -0.228 -8.914 1.044 427 HB THR 68 HB THR 68 -0.728 -9.220 3.387 428 HG1 THR 68 1HG THR 68 -2.654 -9.392 2.163 429 1HG2 THR 68 1HG2 THR 68 -2.139 -7.101 4.367 430 2HG2 THR 68 2HG2 THR 68 -0.391 -7.289 4.645 431 3HG2 THR 68 3HG2 THR 68 -0.975 -6.223 3.346 432 H VAL 69 H VAL 69 -0.406 -7.956 -0.966 433 HA VAL 69 HA VAL 69 -1.415 -5.312 -1.233 434 HB VAL 69 HB VAL 69 -1.255 -7.483 -3.325 435 1HG1 VAL 69 1HG1 VAL 69 -1.664 -4.541 -3.332 436 2HG1 VAL 69 2HG1 VAL 69 -0.549 -5.180 -4.564 437 3HG1 VAL 69 3HG1 VAL 69 -2.222 -5.784 -4.478 438 1HG2 VAL 69 1HG2 VAL 69 1.038 -5.910 -3.555 439 2HG2 VAL 69 2HG2 VAL 69 0.892 -6.220 -1.809 440 3HG2 VAL 69 3HG2 VAL 69 0.949 -7.583 -2.953 441 H ARG 70 H ARG 70 -3.286 -5.877 0.344 442 HA ARG 70 HA ARG 70 -5.297 -7.560 -0.381 443 1HB ARG 70 1HB ARG 70 -6.768 -5.894 0.966 444 2HB ARG 70 2HB ARG 70 -5.384 -6.614 1.810 445 1HG ARG 70 1HG ARG 70 -4.389 -4.297 0.519 446 2HG ARG 70 2HG ARG 70 -5.942 -3.810 1.219 447 1HD ARG 70 1HD ARG 70 -4.825 -3.574 3.175 448 2HD ARG 70 2HD ARG 70 -4.747 -5.341 3.246 449 HE ARG 70 HE ARG 70 -2.553 -5.090 1.949 450 1HH1 ARG 70 1HH1 ARG 70 -3.783 -2.500 3.988 451 2HH1 ARG 70 2HH1 ARG 70 -2.220 -1.812 4.277 452 1HH2 ARG 70 1HH2 ARG 70 -0.491 -4.183 2.331 453 2HH2 ARG 70 2HH2 ARG 70 -0.334 -2.776 3.329 454 H ARG 71 H ARG 71 -7.261 -7.318 -1.600 455 HA ARG 71 HA ARG 71 -7.093 -5.164 -3.521 456 1HB ARG 71 1HB ARG 71 -7.255 -7.428 -4.443 457 2HB ARG 71 2HB ARG 71 -8.717 -7.756 -3.499 458 1HG ARG 71 1HG ARG 71 -8.863 -5.327 -5.188 459 2HG ARG 71 2HG ARG 71 -8.675 -6.829 -6.109 460 1HD ARG 71 1HD ARG 71 -10.813 -6.250 -4.010 461 2HD ARG 71 2HD ARG 71 -11.072 -6.291 -5.761 462 HE ARG 71 HE ARG 71 -9.898 -8.755 -4.733 463 1HH1 ARG 71 1HH1 ARG 71 -12.925 -7.024 -5.202 464 2HH1 ARG 71 2HH1 ARG 71 -13.893 -8.459 -5.213 465 1HH2 ARG 71 1HH2 ARG 71 -11.175 -10.651 -4.747 466 2HH2 ARG 71 2HH2 ARG 71 -12.891 -10.537 -4.953 467 H SER 72 H SER 72 -9.785 -7.028 -1.913 468 HA SER 72 HA SER 72 -11.300 -4.565 -1.874 469 1HB SER 72 1HB SER 72 -12.425 -6.505 -2.813 470 2HB SER 72 2HB SER 72 -12.094 -7.463 -1.360 471 HG SER 72 HG SER 72 -14.279 -6.113 -1.823 472 H PHE 73 H PHE 73 -11.504 -3.378 -0.004 473 HA PHE 73 HA PHE 73 -11.601 -4.691 2.530 474 1HB PHE 73 1HB PHE 73 -9.596 -3.110 3.257 475 2HB PHE 73 2HB PHE 73 -9.205 -4.629 2.441 476 HD1 PHE 73 1HD PHE 73 -9.179 -1.003 2.225 477 HD2 PHE 73 2HD PHE 73 -8.500 -4.599 0.077 478 HE1 PHE 73 1HE PHE 73 -7.922 0.282 0.474 479 HE2 PHE 73 2HE PHE 73 -7.243 -3.314 -1.676 480 HZ PHE 73 HZ PHE 73 -6.968 -0.890 -1.456 481 H GLU 74 H GLU 74 -11.285 -2.662 4.291 482 HA GLU 74 HA GLU 74 -13.001 -0.575 3.188 483 1HB GLU 74 1HB GLU 74 -13.896 -0.373 5.561 484 2HB GLU 74 2HB GLU 74 -14.340 -1.862 4.708 485 1HG GLU 74 1HG GLU 74 -11.798 -1.962 6.260 486 2HG GLU 74 2HG GLU 74 -13.266 -1.789 7.232 487 HE2 GLU 74 HE2 GLU 74 -14.304 -5.011 6.489 488 H GLY 75 H GLY 75 -11.246 0.836 2.678 489 1HA GLY 75 1HA GLY 75 -9.307 1.487 4.728 490 2HA GLY 75 2HA GLY 75 -9.404 2.124 3.098 491 H PHE 76 H PHE 76 -8.855 4.061 4.784 492 HA PHE 76 HA PHE 76 -11.406 5.446 5.091 493 1HB PHE 76 1HB PHE 76 -9.810 4.349 7.175 494 2HB PHE 76 2HB PHE 76 -9.366 6.059 7.156 495 HD1 PHE 76 1HD PHE 76 -11.176 3.997 8.991 496 HD2 PHE 76 2HD PHE 76 -11.858 7.405 6.556 497 HE1 PHE 76 1HE PHE 76 -13.239 4.531 10.317 498 HE2 PHE 76 2HE PHE 76 -13.921 7.938 7.881 499 HZ PHE 76 HZ PHE 76 -14.588 6.495 9.745 500 H LEU 77 H LEU 77 -11.324 7.653 4.611 501 HA LEU 77 HA LEU 77 -9.004 8.492 3.175 502 1HB LEU 77 1HB LEU 77 -11.759 9.424 3.641 503 2HB LEU 77 2HB LEU 77 -10.563 10.692 3.318 504 HG LEU 77 HG LEU 77 -10.012 9.689 1.189 505 1HD1 LEU 77 1HD1 LEU 77 -10.861 7.308 2.308 506 2HD1 LEU 77 2HD1 LEU 77 -12.114 7.665 1.096 507 3HD1 LEU 77 3HD1 LEU 77 -10.405 7.573 0.609 508 1HD2 LEU 77 1HD2 LEU 77 -12.491 9.652 0.222 509 2HD2 LEU 77 2HD2 LEU 77 -12.849 10.335 1.828 510 3HD2 LEU 77 3HD2 LEU 77 -11.694 11.154 0.750 511 H PHE 78 H PHE 78 -10.635 9.412 6.271 512 HA PHE 78 HA PHE 78 -9.697 10.162 8.152 513 1HB PHE 78 1HB PHE 78 -7.521 9.136 6.846 514 2HB PHE 78 2HB PHE 78 -7.086 10.849 6.773 515 HD1 PHE 78 1HD PHE 78 -8.464 11.448 9.524 516 HD2 PHE 78 2HD PHE 78 -5.634 8.563 8.228 517 HE1 PHE 78 1HE PHE 78 -7.549 11.298 11.856 518 HE2 PHE 78 2HE PHE 78 -4.719 8.414 10.561 519 HZ PHE 78 HZ PHE 78 -5.687 9.783 12.346 520 H ASP 79 H ASP 79 -10.669 11.720 5.588 521 HA ASP 79 HA ASP 79 -10.579 14.220 6.826 522 1HB ASP 79 1HB ASP 79 -8.252 13.879 5.591 523 2HB ASP 79 2HB ASP 79 -9.190 14.265 4.139 524 HD2 ASP 79 HD2 ASP 79 -8.476 17.538 4.815 525 H GLY 80 H GLY 80 -12.458 12.243 5.685 526 1HA GLY 80 1HA GLY 80 -14.097 13.974 4.136 527 2HA GLY 80 2HA GLY 80 -13.343 12.765 3.115 528 H THR 81 H THR 81 -13.363 10.407 4.230 529 HA THR 81 HA THR 81 -15.400 9.745 6.005 530 HB THR 81 HB THR 81 -16.341 10.466 3.364 531 HG1 THR 81 1HG THR 81 -17.653 10.822 5.168 532 1HG2 THR 81 1HG2 THR 81 -17.470 8.490 2.644 533 2HG2 THR 81 2HG2 THR 81 -15.829 7.905 3.010 534 3HG2 THR 81 3HG2 THR 81 -17.149 7.646 4.178 535 H ARG 82 H ARG 82 -16.013 7.272 5.682 536 HA ARG 82 HA ARG 82 -13.443 6.036 5.356 537 1HB ARG 82 1HB ARG 82 -14.964 5.613 7.347 538 2HB ARG 82 2HB ARG 82 -16.076 4.766 6.257 539 1HG ARG 82 1HG ARG 82 -13.982 3.354 5.599 540 2HG ARG 82 2HG ARG 82 -13.257 3.996 7.084 541 1HD ARG 82 1HD ARG 82 -15.473 3.190 8.225 542 2HD ARG 82 2HD ARG 82 -15.696 2.212 6.766 543 HE ARG 82 HE ARG 82 -13.058 1.743 7.627 544 1HH1 ARG 82 1HH1 ARG 82 -16.297 1.302 8.931 545 2HH1 ARG 82 2HH1 ARG 82 -15.856 -0.056 9.911 546 1HH2 ARG 82 1HH2 ARG 82 -12.475 -0.049 8.920 547 2HH2 ARG 82 2HH2 ARG 82 -13.668 -0.830 9.905 548 H TRP 83 H TRP 83 -12.930 4.525 3.730 549 HA TRP 83 HA TRP 83 -14.344 4.595 1.351 550 1HB TRP 83 1HB TRP 83 -11.911 3.689 2.185 551 2HB TRP 83 2HB TRP 83 -12.742 2.176 1.819 552 HD1 TRP 83 HD TRP 83 -10.303 3.395 0.011 553 HE1 TRP 83 1HE TRP 83 -10.603 3.803 -2.579 554 HE3 TRP 83 3HE TRP 83 -15.383 3.587 0.096 555 HZ2 TRP 83 2HZ TRP 83 -12.880 4.152 -4.263 556 HZ3 TRP 83 3HZ TRP 83 -16.568 3.964 -2.065 557 HH2 TRP 83 HH TRP 83 -15.398 4.243 -4.193 558 H GLY 84 H GLY 84 -13.844 1.533 3.220 559 1HA GLY 84 1HA GLY 84 -15.838 0.491 4.225 560 2HA GLY 84 2HA GLY 84 -16.704 0.917 2.763 561 H THR 85 H THR 85 -16.475 -1.771 3.742 562 HA THR 85 HA THR 85 -14.384 -3.200 2.542 563 HB THR 85 HB THR 85 -16.120 -3.852 4.393 564 HG1 THR 85 1HG THR 85 -15.814 -6.083 3.604 565 1HG2 THR 85 1HG2 THR 85 -17.976 -3.536 2.350 566 2HG2 THR 85 2HG2 THR 85 -17.617 -5.276 2.246 567 3HG2 THR 85 3HG2 THR 85 -18.218 -4.582 3.771 568 H VAL 86 H VAL 86 -14.422 -1.754 0.502 569 HA VAL 86 HA VAL 86 -16.176 -3.079 -1.450 570 HB VAL 86 HB VAL 86 -16.635 -0.658 -0.980 571 1HG1 VAL 86 1HG1 VAL 86 -14.556 0.342 -0.588 572 2HG1 VAL 86 2HG1 VAL 86 -13.814 -0.406 -2.023 573 3HG1 VAL 86 3HG1 VAL 86 -14.990 0.916 -2.216 574 1HG2 VAL 86 1HG2 VAL 86 -15.700 -1.174 -3.819 575 2HG2 VAL 86 2HG2 VAL 86 -17.193 -1.856 -3.129 576 3HG2 VAL 86 3HG2 VAL 86 -17.005 -0.092 -3.276 577 H ASP 87 H ASP 87 -15.189 -3.222 -3.682 578 HA ASP 87 HA ASP 87 -12.639 -4.365 -3.414 579 1HB ASP 87 1HB ASP 87 -13.699 -3.598 -6.113 580 2HB ASP 87 2HB ASP 87 -12.970 -5.126 -5.592 581 HD2 ASP 87 HD2 ASP 87 -16.162 -6.141 -4.298 582 H CYS 88 H CYS 88 -10.663 -3.285 -3.580 583 HA CYS 88 HA CYS 88 -10.661 -0.512 -4.204 584 1HB CYS 88 1HB CYS 88 -8.562 -0.450 -3.375 585 2HB CYS 88 2HB CYS 88 -9.188 -1.877 -2.530 586 H THR 89 H THR 89 -10.072 -3.592 -5.856 587 HA THR 89 HA THR 89 -8.426 -2.847 -7.921 588 HB THR 89 HB THR 89 -9.126 -5.162 -7.513 589 HG1 THR 89 1HG THR 89 -8.693 -4.498 -9.746 590 1HG2 THR 89 1HG2 THR 89 -11.383 -5.947 -7.879 591 2HG2 THR 89 2HG2 THR 89 -11.548 -4.523 -6.824 592 3HG2 THR 89 3HG2 THR 89 -11.887 -4.384 -8.566 593 H THR 90 H THR 90 -11.655 -1.724 -7.228 594 HA THR 90 HA THR 90 -12.180 -0.912 -9.943 595 HB THR 90 HB THR 90 -13.560 -1.066 -7.324 596 HG1 THR 90 1HG THR 90 -14.001 -2.273 -9.340 597 1HG2 THR 90 1HG2 THR 90 -13.914 1.332 -9.172 598 2HG2 THR 90 2HG2 THR 90 -15.289 0.670 -8.257 599 3HG2 THR 90 3HG2 THR 90 -13.872 1.309 -7.393 600 H ALA 91 H ALA 91 -10.420 0.335 -7.204 601 HA ALA 91 HA ALA 91 -10.245 2.908 -8.617 602 1HB ALA 91 1HB ALA 91 -10.878 3.947 -6.730 603 2HB ALA 91 2HB ALA 91 -11.175 2.360 -5.980 604 3HB ALA 91 3HB ALA 91 -9.582 3.136 -5.820 605 H ALA 92 H ALA 92 -8.709 0.170 -8.562 606 HA ALA 92 HA ALA 92 -6.600 -0.566 -8.270 607 1HB ALA 92 1HB ALA 92 -6.900 1.054 -10.396 608 2HB ALA 92 2HB ALA 92 -5.634 1.965 -9.538 609 3HB ALA 92 3HB ALA 92 -5.349 0.273 -10.007 610 H CYS 93 H CYS 93 -6.616 -0.368 -5.889 611 HA CYS 93 HA CYS 93 -5.713 1.966 -4.638 612 1HB CYS 93 1HB CYS 93 -5.241 0.388 -2.719 613 2HB CYS 93 2HB CYS 93 -6.914 0.500 -3.291 614 H GLN 94 H GLN 94 -3.568 1.681 -3.128 615 HA GLN 94 HA GLN 94 -1.486 0.618 -4.871 616 1HB GLN 94 1HB GLN 94 -0.244 2.548 -4.788 617 2HB GLN 94 2HB GLN 94 -1.860 3.266 -4.664 618 1HG GLN 94 1HG GLN 94 -1.423 2.835 -2.050 619 2HG GLN 94 2HG GLN 94 0.270 2.927 -2.561 620 1HE2 GLN 94 1HE2 GLN 94 -2.756 4.583 -2.173 621 2HE2 GLN 94 2HE2 GLN 94 -2.200 6.203 -2.435 622 H VAL 95 H VAL 95 0.223 -0.475 -3.830 623 HA VAL 95 HA VAL 95 -0.041 -0.654 -0.907 624 HB VAL 95 HB VAL 95 -0.837 -2.695 -1.639 625 1HG1 VAL 95 1HG1 VAL 95 -0.663 -2.907 -3.898 626 2HG1 VAL 95 2HG1 VAL 95 1.004 -2.283 -3.943 627 3HG1 VAL 95 3HG1 VAL 95 0.696 -3.966 -3.452 628 1HG2 VAL 95 1HG2 VAL 95 2.158 -3.122 -1.359 629 2HG2 VAL 95 2HG2 VAL 95 0.993 -2.979 -0.022 630 3HG2 VAL 95 3HG2 VAL 95 0.897 -4.359 -1.141 631 H GLY 96 H GLY 96 1.724 0.070 0.158 632 1HA GLY 96 1HA GLY 96 4.371 -0.475 -0.852 633 2HA GLY 96 2HA GLY 96 3.916 1.216 -0.941 634 H LEU 97 H LEU 97 6.039 0.631 0.672 635 HA LEU 97 HA LEU 97 4.969 0.389 3.378 636 1HB LEU 97 1HB LEU 97 7.871 0.543 2.686 637 2HB LEU 97 2HB LEU 97 7.082 -0.242 4.064 638 HG LEU 97 HG LEU 97 6.173 -1.530 1.694 639 1HD1 LEU 97 1HD1 LEU 97 7.911 -0.973 0.312 640 2HD1 LEU 97 2HD1 LEU 97 9.075 -0.807 1.649 641 3HD1 LEU 97 3HD1 LEU 97 8.582 -2.424 1.092 642 1HD2 LEU 97 1HD2 LEU 97 7.140 -2.168 4.270 643 2HD2 LEU 97 2HD2 LEU 97 6.365 -3.246 3.084 644 3HD2 LEU 97 3HD2 LEU 97 8.137 -3.077 3.109 645 H SER 98 H SER 98 5.728 1.938 5.048 646 HA SER 98 HA SER 98 6.735 4.420 4.039 647 1HB SER 98 1HB SER 98 4.357 4.723 3.618 648 2HB SER 98 2HB SER 98 3.950 4.217 5.266 649 HG SER 98 HG SER 98 4.779 6.694 4.298 650 H ASP 99 H ASP 99 7.073 6.010 5.952 651 HA ASP 99 HA ASP 99 8.561 4.859 7.862 652 1HB ASP 99 1HB ASP 99 6.958 7.239 8.717 653 2HB ASP 99 2HB ASP 99 8.708 6.982 8.797 654 HD2 ASP 99 HD2 ASP 99 9.200 8.727 5.903 655 H ALA 100 H ALA 100 8.038 5.040 10.399 656 HA ALA 100 HA ALA 100 5.976 3.249 10.965 657 1HB ALA 100 1HB ALA 100 6.606 3.600 13.258 658 2HB ALA 100 2HB ALA 100 8.093 3.719 12.288 659 3HB ALA 100 3HB ALA 100 7.302 5.196 12.887 660 H ALA 101 H ALA 101 5.904 6.611 10.217 661 HA ALA 101 HA ALA 101 3.379 6.960 11.659 662 1HB ALA 101 1HB ALA 101 4.689 8.797 12.176 663 2HB ALA 101 2HB ALA 101 5.531 8.775 10.608 664 3HB ALA 101 3HB ALA 101 3.868 9.401 10.717 665 H GLY 102 H GLY 102 4.626 5.955 8.669 666 1HA GLY 102 1HA GLY 102 3.565 5.463 6.739 667 2HA GLY 102 2HA GLY 102 2.058 6.027 7.434 668 H ASN 103 H ASN 103 5.101 7.935 7.171 669 HA ASN 103 HA ASN 103 3.618 9.982 5.854 670 1HB ASN 103 1HB ASN 103 6.606 10.136 6.093 671 2HB ASN 103 2HB ASN 103 5.398 11.380 6.442 672 1HD2 ASN 103 1HD2 ASN 103 7.745 10.150 7.916 673 2HD2 ASN 103 2HD2 ASN 103 7.138 9.739 9.485 674 H GLY 104 H GLY 104 4.256 10.877 3.711 675 1HA GLY 104 1HA GLY 104 5.110 10.811 1.616 676 2HA GLY 104 2HA GLY 104 6.238 9.567 2.116 677 HA PRO 105 HA PRO 105 2.235 7.323 0.932 678 1HB PRO 105 1HB PRO 105 0.070 8.749 0.071 679 2HB PRO 105 2HB PRO 105 0.266 8.207 1.735 680 1HG PRO 105 1HG PRO 105 0.637 10.885 0.558 681 2HG PRO 105 2HG PRO 105 0.366 10.445 2.281 682 1HD PRO 105 1HD PRO 105 2.805 11.245 1.011 683 2HD PRO 105 2HD PRO 105 2.621 10.668 2.672 684 H GLU 106 H GLU 106 2.285 6.137 -0.888 685 HA GLU 106 HA GLU 106 1.672 6.874 -3.318 686 1HB GLU 106 1HB GLU 106 4.157 8.260 -2.572 687 2HB GLU 106 2HB GLU 106 4.305 7.351 -4.087 688 1HG GLU 106 1HG GLU 106 1.838 9.014 -3.681 689 2HG GLU 106 2HG GLU 106 3.351 9.876 -4.001 690 HE2 GLU 106 HE2 GLU 106 3.566 8.112 -7.160 691 H GLY 107 H GLY 107 1.793 4.547 -1.801 692 1HA GLY 107 1HA GLY 107 3.899 2.836 -2.016 693 2HA GLY 107 2HA GLY 107 2.217 2.353 -2.104 694 H VAL 108 H VAL 108 1.285 1.759 -4.087 695 HA VAL 108 HA VAL 108 2.461 2.433 -6.563 696 HB VAL 108 HB VAL 108 4.173 0.869 -5.814 697 1HG1 VAL 108 1HG1 VAL 108 3.698 -0.950 -4.618 698 2HG1 VAL 108 2HG1 VAL 108 1.962 -0.580 -4.761 699 3HG1 VAL 108 3HG1 VAL 108 2.754 -1.619 -5.970 700 1HG2 VAL 108 1HG2 VAL 108 2.710 0.743 -8.235 701 2HG2 VAL 108 2HG2 VAL 108 4.397 0.256 -7.946 702 3HG2 VAL 108 3HG2 VAL 108 3.087 -0.936 -7.780 703 H ALA 109 H ALA 109 0.569 2.792 -7.606 704 HA ALA 109 HA ALA 109 -1.803 1.421 -6.895 705 1HB ALA 109 1HB ALA 109 -0.921 3.484 -8.869 706 2HB ALA 109 2HB ALA 109 -2.413 2.591 -9.248 707 3HB ALA 109 3HB ALA 109 -2.287 3.504 -7.726 708 H ILE 110 H ILE 110 -1.802 -0.790 -7.184 709 HA ILE 110 HA ILE 110 -1.053 -1.715 -9.869 710 HB ILE 110 HB ILE 110 -0.647 -2.826 -7.144 711 1HG1 ILE 110 1HG1 ILE 110 0.938 -2.907 -9.719 712 2HG1 ILE 110 2HG1 ILE 110 1.205 -1.800 -8.361 713 1HG2 ILE 110 1HG2 ILE 110 -2.033 -4.563 -7.960 714 2HG2 ILE 110 2HG2 ILE 110 -1.278 -4.514 -9.570 715 3HG2 ILE 110 3HG2 ILE 110 -0.355 -5.119 -8.174 716 1HD1 ILE 110 1HD1 ILE 110 1.573 -4.822 -8.431 717 2HD1 ILE 110 2HD1 ILE 110 2.802 -3.576 -8.111 718 3HD1 ILE 110 3HD1 ILE 110 1.529 -3.898 -6.910 719 H SER 111 H SER 111 -2.386 -3.476 -10.777 720 HA SER 111 HA SER 111 -5.134 -2.939 -10.169 721 1HB SER 111 1HB SER 111 -4.153 -4.937 -12.215 722 2HB SER 111 2HB SER 111 -5.632 -3.961 -12.249 723 HG SER 111 HG SER 111 -4.502 -2.604 -13.452 724 H PHE 112 H PHE 112 -6.152 -4.098 -8.576 725 HA PHE 112 HA PHE 112 -5.086 -6.698 -7.874 726 1HB PHE 112 1HB PHE 112 -7.341 -4.909 -6.796 727 2HB PHE 112 2HB PHE 112 -6.789 -6.384 -5.995 728 HD1 PHE 112 1HD PHE 112 -5.364 -3.188 -7.315 729 HD2 PHE 112 2HD PHE 112 -5.314 -6.122 -4.250 730 HE1 PHE 112 1HE PHE 112 -3.654 -1.847 -6.061 731 HE2 PHE 112 2HE PHE 112 -3.603 -4.781 -2.995 732 HZ PHE 112 HZ PHE 112 -2.793 -2.659 -3.915 733 H ASN 113 H ASN 113 -6.023 -8.636 -8.389 734 HA ASN 113 HA ASN 113 -7.333 -10.056 -9.378 735 1HB ASN 113 1HB ASN 113 -8.814 -9.056 -7.399 736 2HB ASN 113 2HB ASN 113 -9.797 -8.412 -8.724 737 1HD2 ASN 113 1HD2 ASN 113 -10.980 -9.761 -9.997 738 2HD2 ASN 113 2HD2 ASN 113 -11.232 -11.444 -9.672 Start of MODEL 39 1 H ALA 1 H ALA 1 13.024 4.883 -14.567 2 HA ALA 1 HA ALA 1 10.889 5.405 -13.208 3 1HB ALA 1 1HB ALA 1 12.867 3.375 -13.128 4 2HB ALA 1 2HB ALA 1 12.494 3.774 -11.433 5 3HB ALA 1 3HB ALA 1 11.190 3.282 -12.539 6 H ALA 2 H ALA 2 11.294 4.916 -10.363 7 HA ALA 2 HA ALA 2 12.860 7.102 -9.363 8 1HB ALA 2 1HB ALA 2 11.235 8.635 -8.976 9 2HB ALA 2 2HB ALA 2 10.336 7.768 -10.244 10 3HB ALA 2 3HB ALA 2 10.039 7.394 -8.529 11 HA PRO 3 HA PRO 3 12.530 4.760 -5.723 12 1HB PRO 3 1HB PRO 3 12.034 6.495 -3.671 13 2HB PRO 3 2HB PRO 3 13.627 6.294 -4.401 14 1HG PRO 3 1HG PRO 3 11.642 8.450 -4.740 15 2HG PRO 3 2HG PRO 3 13.409 8.485 -5.087 16 1HD PRO 3 1HD PRO 3 11.233 8.302 -6.939 17 2HD PRO 3 2HD PRO 3 12.955 8.171 -7.319 18 H THR 4 H THR 4 11.079 4.998 -3.283 19 HA THR 4 HA THR 4 8.958 4.813 -2.474 20 HB THR 4 HB THR 4 7.839 4.497 -5.283 21 HG1 THR 4 1HG THR 4 8.242 6.689 -5.567 22 1HG2 THR 4 1HG2 THR 4 6.380 6.362 -3.753 23 2HG2 THR 4 2HG2 THR 4 5.917 4.667 -4.043 24 3HG2 THR 4 3HG2 THR 4 6.829 5.104 -2.578 25 H ALA 5 H ALA 5 7.284 2.991 -2.341 26 HA ALA 5 HA ALA 5 8.777 0.534 -2.657 27 1HB ALA 5 1HB ALA 5 6.467 -0.207 -1.477 28 2HB ALA 5 2HB ALA 5 7.818 0.516 -0.573 29 3HB ALA 5 3HB ALA 5 6.443 1.528 -1.078 30 H THR 6 H THR 6 7.979 -1.330 -3.793 31 HA THR 6 HA THR 6 5.630 -0.989 -5.452 32 HB THR 6 HB THR 6 6.793 -1.089 -7.547 33 HG1 THR 6 1HG THR 6 8.414 -2.614 -7.187 34 1HG2 THR 6 1HG2 THR 6 8.501 0.697 -7.499 35 2HG2 THR 6 2HG2 THR 6 7.148 1.163 -6.440 36 3HG2 THR 6 3HG2 THR 6 8.656 0.533 -5.733 37 H VAL 7 H VAL 7 4.935 -2.989 -6.467 38 HA VAL 7 HA VAL 7 5.983 -5.280 -4.965 39 HB VAL 7 HB VAL 7 3.321 -5.082 -6.362 40 1HG1 VAL 7 1HG1 VAL 7 4.695 -7.158 -5.005 41 2HG1 VAL 7 2HG1 VAL 7 3.357 -6.647 -3.947 42 3HG1 VAL 7 3HG1 VAL 7 3.024 -7.163 -5.618 43 1HG2 VAL 7 1HG2 VAL 7 2.288 -4.333 -4.324 44 2HG2 VAL 7 2HG2 VAL 7 3.836 -4.408 -3.449 45 3HG2 VAL 7 3HG2 VAL 7 3.596 -3.197 -4.730 46 H THR 8 H THR 8 6.876 -7.000 -6.040 47 HA THR 8 HA THR 8 7.978 -6.825 -8.467 48 HB THR 8 HB THR 8 7.062 -9.007 -6.660 49 HG1 THR 8 1HG THR 8 9.356 -9.577 -7.405 50 1HG2 THR 8 1HG2 THR 8 7.666 -10.789 -8.290 51 2HG2 THR 8 2HG2 THR 8 6.226 -9.909 -8.852 52 3HG2 THR 8 3HG2 THR 8 7.815 -9.569 -9.578 53 HA PRO 9 HA PRO 9 4.173 -8.356 -10.731 54 1HB PRO 9 1HB PRO 9 1.855 -8.911 -9.394 55 2HB PRO 9 2HB PRO 9 3.052 -10.139 -9.799 56 1HG PRO 9 1HG PRO 9 2.482 -8.821 -7.221 57 2HG PRO 9 2HG PRO 9 3.340 -10.375 -7.523 58 1HD PRO 9 1HD PRO 9 4.456 -7.835 -6.810 59 2HD PRO 9 2HD PRO 9 5.351 -9.294 -7.252 60 H SER 10 H SER 10 1.431 -7.701 -10.763 61 HA SER 10 HA SER 10 1.294 -5.000 -9.885 62 1HB SER 10 1HB SER 10 1.176 -3.905 -11.986 63 2HB SER 10 2HB SER 10 2.609 -4.942 -12.097 64 HG SER 10 HG SER 10 1.659 -6.123 -13.633 65 H SER 11 H SER 11 -0.083 -7.686 -9.657 66 HA SER 11 HA SER 11 -2.696 -6.711 -9.807 67 1HB SER 11 1HB SER 11 -3.649 -8.164 -11.496 68 2HB SER 11 2HB SER 11 -2.344 -7.225 -12.241 69 HG SER 11 HG SER 11 -2.175 -9.958 -11.292 70 H GLY 12 H GLY 12 -1.514 -7.560 -7.607 71 1HA GLY 12 1HA GLY 12 -1.162 -10.180 -6.971 72 2HA GLY 12 2HA GLY 12 -1.805 -8.974 -5.875 73 H LEU 13 H LEU 13 -4.240 -8.451 -7.564 74 HA LEU 13 HA LEU 13 -6.351 -9.111 -7.549 75 1HB LEU 13 1HB LEU 13 -5.237 -11.813 -8.276 76 2HB LEU 13 2HB LEU 13 -6.853 -11.184 -8.639 77 HG LEU 13 HG LEU 13 -4.695 -9.511 -9.700 78 1HD1 LEU 13 1HD1 LEU 13 -4.955 -12.298 -10.857 79 2HD1 LEU 13 2HD1 LEU 13 -3.879 -10.987 -11.399 80 3HD1 LEU 13 3HD1 LEU 13 -3.613 -11.761 -9.818 81 1HD2 LEU 13 1HD2 LEU 13 -7.207 -10.792 -10.778 82 2HD2 LEU 13 2HD2 LEU 13 -6.885 -9.075 -10.437 83 3HD2 LEU 13 3HD2 LEU 13 -6.081 -9.875 -11.808 84 H SER 14 H SER 14 -4.890 -12.218 -6.390 85 HA SER 14 HA SER 14 -6.718 -12.952 -4.665 86 1HB SER 14 1HB SER 14 -5.115 -14.480 -4.319 87 2HB SER 14 2HB SER 14 -3.878 -13.383 -4.960 88 HG SER 14 HG SER 14 -4.311 -14.175 -2.385 89 H ASP 15 H ASP 15 -7.756 -12.105 -2.892 90 HA ASP 15 HA ASP 15 -7.212 -9.586 -1.983 91 1HB ASP 15 1HB ASP 15 -8.742 -10.129 -0.122 92 2HB ASP 15 2HB ASP 15 -9.370 -10.757 -1.655 93 HD2 ASP 15 HD2 ASP 15 -9.015 -14.057 -0.575 94 H GLY 16 H GLY 16 -4.986 -9.321 -1.339 95 1HA GLY 16 1HA GLY 16 -3.628 -9.109 0.563 96 2HA GLY 16 2HA GLY 16 -4.308 -10.581 1.228 97 H THR 17 H THR 17 -3.101 -10.022 -2.134 98 HA THR 17 HA THR 17 -1.630 -12.437 -2.112 99 HB THR 17 HB THR 17 -1.554 -10.009 -3.981 100 HG1 THR 17 1HG THR 17 -3.549 -11.566 -3.299 101 1HG2 THR 17 1HG2 THR 17 -0.066 -11.230 -5.209 102 2HG2 THR 17 2HG2 THR 17 -0.099 -12.532 -3.996 103 3HG2 THR 17 3HG2 THR 17 -1.283 -12.524 -5.325 104 H VAL 18 H VAL 18 -0.263 -12.426 -0.280 105 HA VAL 18 HA VAL 18 1.576 -10.330 0.158 106 HB VAL 18 HB VAL 18 1.958 -13.159 1.084 107 1HG1 VAL 18 1HG1 VAL 18 2.265 -11.472 3.232 108 2HG1 VAL 18 2HG1 VAL 18 3.581 -12.053 2.184 109 3HG1 VAL 18 3HG1 VAL 18 2.838 -10.464 1.881 110 1HG2 VAL 18 1HG2 VAL 18 0.377 -12.182 3.043 111 2HG2 VAL 18 2HG2 VAL 18 -0.365 -11.389 1.633 112 3HG2 VAL 18 3HG2 VAL 18 -0.230 -13.162 1.688 113 H VAL 19 H VAL 19 2.390 -10.015 -2.065 114 HA VAL 19 HA VAL 19 4.207 -12.139 -2.927 115 HB VAL 19 HB VAL 19 4.285 -10.508 -4.973 116 1HG1 VAL 19 1HG1 VAL 19 2.172 -11.623 -5.859 117 2HG1 VAL 19 2HG1 VAL 19 3.435 -12.707 -5.230 118 3HG1 VAL 19 3HG1 VAL 19 1.997 -12.352 -4.244 119 1HG2 VAL 19 1HG2 VAL 19 2.828 -8.855 -3.498 120 2HG2 VAL 19 2HG2 VAL 19 2.590 -8.983 -5.258 121 3HG2 VAL 19 3HG2 VAL 19 1.487 -9.830 -4.147 122 H LYS 20 H LYS 20 6.356 -11.324 -3.872 123 HA LYS 20 HA LYS 20 7.748 -10.002 -1.849 124 1HB LYS 20 1HB LYS 20 8.318 -11.450 -4.191 125 2HB LYS 20 2HB LYS 20 9.133 -9.887 -4.377 126 1HG LYS 20 1HG LYS 20 9.970 -10.250 -1.955 127 2HG LYS 20 2HG LYS 20 9.442 -11.930 -2.143 128 1HD LYS 20 1HD LYS 20 11.515 -12.274 -2.997 129 2HD LYS 20 2HD LYS 20 10.887 -11.517 -4.471 130 1HE LYS 20 1HE LYS 20 11.597 -9.362 -2.804 131 2HE LYS 20 2HE LYS 20 12.901 -10.538 -2.572 132 1HZ LYS 20 1HZ LYS 20 12.642 -8.841 -4.648 133 2HZ LYS 20 2HZ LYS 20 13.616 -10.151 -4.613 134 3HZ LYS 20 3HZ LYS 20 12.131 -10.255 -5.287 135 H VAL 21 H VAL 21 8.592 -7.891 -1.667 136 HA VAL 21 HA VAL 21 7.808 -5.977 -3.702 137 HB VAL 21 HB VAL 21 6.928 -5.794 -0.814 138 1HG1 VAL 21 1HG1 VAL 21 6.411 -3.602 -1.088 139 2HG1 VAL 21 2HG1 VAL 21 7.704 -3.676 -2.309 140 3HG1 VAL 21 3HG1 VAL 21 5.999 -3.799 -2.808 141 1HG2 VAL 21 1HG2 VAL 21 5.382 -7.210 -1.851 142 2HG2 VAL 21 2HG2 VAL 21 4.633 -5.603 -2.005 143 3HG2 VAL 21 3HG2 VAL 21 5.467 -6.334 -3.398 144 H ALA 22 H ALA 22 9.204 -4.189 -3.790 145 HA ALA 22 HA ALA 22 11.207 -3.989 -1.682 146 1HB ALA 22 1HB ALA 22 12.530 -5.292 -3.045 147 2HB ALA 22 2HB ALA 22 11.659 -4.821 -4.524 148 3HB ALA 22 3HB ALA 22 12.838 -3.706 -3.792 149 H GLY 23 H GLY 23 12.380 -1.894 -1.778 150 1HA GLY 23 1HA GLY 23 12.616 0.272 -2.672 151 2HA GLY 23 2HA GLY 23 11.050 0.132 -3.447 152 H ALA 24 H ALA 24 10.947 2.375 -2.280 153 HA ALA 24 HA ALA 24 9.030 2.676 -0.611 154 1HB ALA 24 1HB ALA 24 10.097 2.555 1.760 155 2HB ALA 24 2HB ALA 24 9.581 1.036 0.987 156 3HB ALA 24 3HB ALA 24 11.302 1.489 0.999 157 H GLY 25 H GLY 25 10.139 4.259 1.603 158 1HA GLY 25 1HA GLY 25 10.612 6.669 0.259 159 2HA GLY 25 2HA GLY 25 10.856 6.357 1.966 160 H LEU 26 H LEU 26 12.664 3.990 0.484 161 HA LEU 26 HA LEU 26 14.860 3.677 0.398 162 1HB LEU 26 1HB LEU 26 14.583 4.401 -1.798 163 2HB LEU 26 2HB LEU 26 14.461 6.106 -1.330 164 HG LEU 26 HG LEU 26 16.983 5.408 -0.454 165 1HD1 LEU 26 1HD1 LEU 26 17.957 4.388 -2.626 166 2HD1 LEU 26 2HD1 LEU 26 17.195 3.313 -1.430 167 3HD1 LEU 26 3HD1 LEU 26 16.304 3.787 -2.895 168 1HD2 LEU 26 1HD2 LEU 26 17.782 6.878 -2.118 169 2HD2 LEU 26 2HD2 LEU 26 16.423 6.516 -3.208 170 3HD2 LEU 26 3HD2 LEU 26 16.144 7.445 -1.716 171 H GLN 27 H GLN 27 14.718 4.185 2.835 172 HA GLN 27 HA GLN 27 15.866 6.714 3.529 173 1HB GLN 27 1HB GLN 27 14.128 5.797 4.955 174 2HB GLN 27 2HB GLN 27 15.046 4.301 5.201 175 1HG GLN 27 1HG GLN 27 15.444 5.584 7.157 176 2HG GLN 27 2HG GLN 27 16.906 5.814 6.185 177 1HE2 GLN 27 1HE2 GLN 27 17.378 7.743 7.212 178 2HE2 GLN 27 2HE2 GLN 27 16.519 9.216 6.908 179 H ALA 28 H ALA 28 16.837 3.798 5.296 180 HA ALA 28 HA ALA 28 19.082 2.951 4.135 181 1HB ALA 28 1HB ALA 28 19.437 5.734 5.115 182 2HB ALA 28 2HB ALA 28 20.719 4.589 5.581 183 3HB ALA 28 3HB ALA 28 20.330 4.838 3.862 184 H GLY 29 H GLY 29 18.022 1.267 5.438 185 1HA GLY 29 1HA GLY 29 18.050 -0.133 7.199 186 2HA GLY 29 2HA GLY 29 19.385 0.787 7.864 187 H THR 30 H THR 30 15.793 1.015 7.362 188 HA THR 30 HA THR 30 15.472 1.750 10.134 189 HB THR 30 HB THR 30 15.420 3.723 7.891 190 HG1 THR 30 1HG THR 30 16.144 4.928 9.698 191 1HG2 THR 30 1HG2 THR 30 12.957 3.527 8.422 192 2HG2 THR 30 2HG2 THR 30 13.340 3.782 10.141 193 3HG2 THR 30 3HG2 THR 30 13.645 5.078 8.961 194 H ALA 31 H ALA 31 13.261 1.622 10.855 195 HA ALA 31 HA ALA 31 11.899 -0.513 9.753 196 1HB ALA 31 1HB ALA 31 11.773 0.934 12.055 197 2HB ALA 31 2HB ALA 31 10.313 1.528 11.229 198 3HB ALA 31 3HB ALA 31 10.512 -0.212 11.541 199 H TYR 32 H TYR 32 9.896 -0.648 8.550 200 HA TYR 32 HA TYR 32 8.990 1.777 7.247 201 1HB TYR 32 1HB TYR 32 10.649 -0.452 6.102 202 2HB TYR 32 2HB TYR 32 9.237 -0.033 5.127 203 HD1 TYR 32 1HD TYR 32 12.632 0.740 5.853 204 HD2 TYR 32 2HD TYR 32 8.964 2.500 4.532 205 HE1 TYR 32 1HE TYR 32 13.923 2.678 4.831 206 HE2 TYR 32 2HE TYR 32 10.266 4.432 3.514 207 HH TYR 32 HH TYR 32 12.825 4.589 2.593 208 H ASP 33 H ASP 33 7.115 1.204 8.620 209 HA ASP 33 HA ASP 33 5.844 -1.225 8.442 210 1HB ASP 33 1HB ASP 33 5.304 0.424 10.157 211 2HB ASP 33 2HB ASP 33 4.743 1.578 8.937 212 HD2 ASP 33 HD2 ASP 33 1.660 -0.025 8.669 213 H VAL 34 H VAL 34 4.786 -2.155 6.682 214 HA VAL 34 HA VAL 34 4.529 -0.880 4.240 215 HB VAL 34 HB VAL 34 3.116 -3.280 5.415 216 1HG1 VAL 34 1HG1 VAL 34 3.122 -2.161 2.609 217 2HG1 VAL 34 2HG1 VAL 34 2.859 -3.893 2.924 218 3HG1 VAL 34 3HG1 VAL 34 1.743 -2.684 3.604 219 1HG2 VAL 34 1HG2 VAL 34 5.505 -3.587 5.356 220 2HG2 VAL 34 2HG2 VAL 34 4.785 -4.536 4.035 221 3HG2 VAL 34 3HG2 VAL 34 5.591 -2.988 3.683 222 H GLY 35 H GLY 35 2.496 -0.354 3.037 223 1HA GLY 35 1HA GLY 35 0.282 0.486 4.775 224 2HA GLY 35 2HA GLY 35 1.096 1.694 3.800 225 H GLN 36 H GLN 36 -1.728 0.648 3.666 226 HA GLN 36 HA GLN 36 -1.637 0.020 0.839 227 1HB GLN 36 1HB GLN 36 -2.634 -1.733 2.989 228 2HB GLN 36 2HB GLN 36 -3.817 -1.474 1.693 229 1HG GLN 36 1HG GLN 36 -1.262 -1.892 0.468 230 2HG GLN 36 2HG GLN 36 -1.459 -3.150 1.695 231 1HE2 GLN 36 1HE2 GLN 36 -3.345 -1.429 -0.791 232 2HE2 GLN 36 2HE2 GLN 36 -4.177 -2.807 -1.429 233 H CYS 37 H CYS 37 -2.701 1.693 -0.125 234 HA CYS 37 HA CYS 37 -5.111 2.652 1.240 235 1HB CYS 37 1HB CYS 37 -3.256 4.337 -0.428 236 2HB CYS 37 2HB CYS 37 -4.662 4.886 0.501 237 H ALA 38 H ALA 38 -6.335 4.110 -0.671 238 HA ALA 38 HA ALA 38 -6.154 2.702 -3.205 239 1HB ALA 38 1HB ALA 38 -7.723 1.312 -2.006 240 2HB ALA 38 2HB ALA 38 -8.618 2.735 -1.421 241 3HB ALA 38 3HB ALA 38 -8.650 2.312 -3.149 242 H TRP 39 H TRP 39 -5.642 4.506 -4.399 243 HA TRP 39 HA TRP 39 -6.768 7.048 -3.803 244 1HB TRP 39 1HB TRP 39 -4.794 7.415 -4.769 245 2HB TRP 39 2HB TRP 39 -4.820 5.908 -5.686 246 HD1 TRP 39 HD TRP 39 -7.219 8.986 -5.995 247 HE1 TRP 39 1HE TRP 39 -7.287 9.853 -8.487 248 HE3 TRP 39 3HE TRP 39 -3.766 5.710 -7.782 249 HZ2 TRP 39 2HZ TRP 39 -5.919 9.089 -10.871 250 HZ3 TRP 39 3HZ TRP 39 -3.189 5.837 -10.205 251 HH2 TRP 39 HH TRP 39 -4.204 7.452 -11.732 252 H VAL 40 H VAL 40 -8.627 7.978 -4.625 253 HA VAL 40 HA VAL 40 -9.996 6.471 -6.742 254 HB VAL 40 HB VAL 40 -11.226 7.821 -4.331 255 1HG1 VAL 40 1HG1 VAL 40 -12.458 7.698 -6.660 256 2HG1 VAL 40 2HG1 VAL 40 -12.727 6.003 -6.188 257 3HG1 VAL 40 3HG1 VAL 40 -13.323 7.321 -5.151 258 1HG2 VAL 40 1HG2 VAL 40 -11.582 4.912 -4.766 259 2HG2 VAL 40 2HG2 VAL 40 -9.943 5.427 -4.301 260 3HG2 VAL 40 3HG2 VAL 40 -11.331 5.829 -3.262 261 H ASP 41 H ASP 41 -11.670 9.207 -5.508 262 HA ASP 41 HA ASP 41 -11.554 10.534 -7.905 263 1HB ASP 41 1HB ASP 41 -12.767 10.855 -5.343 264 2HB ASP 41 2HB ASP 41 -11.981 12.399 -5.715 265 HD2 ASP 41 HD2 ASP 41 -15.234 11.338 -7.687 266 H THR 42 H THR 42 -10.903 13.174 -7.655 267 HA THR 42 HA THR 42 -8.054 13.139 -7.520 268 HB THR 42 HB THR 42 -10.154 15.331 -7.934 269 HG1 THR 42 1HG THR 42 -8.324 13.700 -9.549 270 1HG2 THR 42 1HG2 THR 42 -8.059 16.432 -7.268 271 2HG2 THR 42 2HG2 THR 42 -7.113 15.333 -8.301 272 3HG2 THR 42 3HG2 THR 42 -8.199 16.533 -9.040 273 H GLY 43 H GLY 43 -7.456 12.527 -5.414 274 1HA GLY 43 1HA GLY 43 -6.458 13.600 -3.537 275 2HA GLY 43 2HA GLY 43 -7.813 14.708 -3.458 276 H VAL 44 H VAL 44 -9.417 11.984 -4.233 277 HA VAL 44 HA VAL 44 -9.978 11.406 -1.442 278 HB VAL 44 HB VAL 44 -11.361 10.342 -3.904 279 1HG1 VAL 44 1HG1 VAL 44 -12.741 9.345 -2.464 280 2HG1 VAL 44 2HG1 VAL 44 -11.685 9.873 -1.132 281 3HG1 VAL 44 3HG1 VAL 44 -13.057 10.889 -1.637 282 1HG2 VAL 44 1HG2 VAL 44 -12.105 12.869 -2.398 283 2HG2 VAL 44 2HG2 VAL 44 -11.207 12.854 -3.935 284 3HG2 VAL 44 3HG2 VAL 44 -12.866 12.211 -3.867 285 H LEU 45 H LEU 45 -8.065 10.249 -0.850 286 HA LEU 45 HA LEU 45 -7.830 7.652 -2.203 287 1HB LEU 45 1HB LEU 45 -5.890 8.997 -2.555 288 2HB LEU 45 2HB LEU 45 -5.741 9.339 -0.823 289 HG LEU 45 HG LEU 45 -5.687 6.478 -1.605 290 1HD1 LEU 45 1HD1 LEU 45 -3.019 7.446 -1.936 291 2HD1 LEU 45 2HD1 LEU 45 -4.037 6.544 -3.083 292 3HD1 LEU 45 3HD1 LEU 45 -4.087 8.322 -3.058 293 1HD2 LEU 45 1HD2 LEU 45 -3.651 6.682 0.016 294 2HD2 LEU 45 2HD2 LEU 45 -4.356 8.270 0.402 295 3HD2 LEU 45 3HD2 LEU 45 -5.312 6.788 0.650 296 H ALA 46 H ALA 46 -8.705 6.023 -1.054 297 HA ALA 46 HA ALA 46 -9.193 6.405 1.760 298 1HB ALA 46 1HB ALA 46 -10.591 5.200 -0.212 299 2HB ALA 46 2HB ALA 46 -9.695 3.791 0.405 300 3HB ALA 46 3HB ALA 46 -10.738 4.732 1.499 301 H CYS 47 H CYS 47 -7.277 6.353 2.925 302 HA CYS 47 HA CYS 47 -5.308 4.371 2.295 303 1HB CYS 47 1HB CYS 47 -5.496 6.777 3.916 304 2HB CYS 47 2HB CYS 47 -4.607 5.478 4.732 305 H ASN 48 H ASN 48 -4.810 2.518 3.590 306 HA ASN 48 HA ASN 48 -6.949 1.848 5.447 307 1HB ASN 48 1HB ASN 48 -6.402 0.406 3.334 308 2HB ASN 48 2HB ASN 48 -4.972 -0.129 4.230 309 1HD2 ASN 48 1HD2 ASN 48 -8.463 -0.064 4.073 310 2HD2 ASN 48 2HD2 ASN 48 -8.786 -1.346 5.192 311 HA PRO 49 HA PRO 49 -3.392 2.294 8.159 312 1HB PRO 49 1HB PRO 49 -4.794 2.972 10.405 313 2HB PRO 49 2HB PRO 49 -4.195 4.158 9.246 314 1HG PRO 49 1HG PRO 49 -6.924 3.112 9.654 315 2HG PRO 49 2HG PRO 49 -6.414 4.633 8.833 316 1HD PRO 49 1HD PRO 49 -7.323 2.188 7.651 317 2HD PRO 49 2HD PRO 49 -6.680 3.597 6.796 318 H ALA 50 H ALA 50 -4.574 -0.192 7.370 319 HA ALA 50 HA ALA 50 -4.213 -1.562 9.943 320 1HB ALA 50 1HB ALA 50 -5.983 -2.805 7.892 321 2HB ALA 50 2HB ALA 50 -6.123 -2.788 9.666 322 3HB ALA 50 3HB ALA 50 -6.625 -1.367 8.721 323 H ASP 51 H ASP 51 -2.872 -0.839 7.022 324 HA ASP 51 HA ASP 51 -2.287 -2.948 5.609 325 1HB ASP 51 1HB ASP 51 0.222 -2.065 5.735 326 2HB ASP 51 2HB ASP 51 -1.046 -1.083 4.984 327 HD2 ASP 51 HD2 ASP 51 -0.613 1.430 7.263 328 H PHE 52 H PHE 52 -1.094 -2.264 8.937 329 HA PHE 52 HA PHE 52 -0.126 -3.517 10.468 330 1HB PHE 52 1HB PHE 52 -1.172 -5.641 8.524 331 2HB PHE 52 2HB PHE 52 -0.360 -6.109 10.022 332 HD1 PHE 52 1HD PHE 52 -1.460 -4.071 11.880 333 HD2 PHE 52 2HD PHE 52 -3.363 -6.345 8.843 334 HE1 PHE 52 1HE PHE 52 -3.643 -3.880 13.105 335 HE2 PHE 52 2HE PHE 52 -5.545 -6.153 10.068 336 HZ PHE 52 HZ PHE 52 -5.659 -4.924 12.184 337 H SER 53 H SER 53 0.575 -5.238 7.334 338 HA SER 53 HA SER 53 2.903 -6.301 7.784 339 1HB SER 53 1HB SER 53 1.818 -4.805 5.438 340 2HB SER 53 2HB SER 53 3.541 -5.215 5.379 341 HG SER 53 HG SER 53 2.648 -7.471 6.054 342 H SER 54 H SER 54 5.166 -5.724 7.854 343 HA SER 54 HA SER 54 5.905 -3.000 7.654 344 1HB SER 54 1HB SER 54 6.833 -2.957 10.054 345 2HB SER 54 2HB SER 54 5.085 -2.730 9.871 346 HG SER 54 HG SER 54 5.842 -5.408 10.137 347 H VAL 55 H VAL 55 8.165 -2.821 7.312 348 HA VAL 55 HA VAL 55 9.794 -5.154 7.907 349 HB VAL 55 HB VAL 55 8.702 -5.266 5.565 350 1HG1 VAL 55 1HG1 VAL 55 9.590 -2.746 5.256 351 2HG1 VAL 55 2HG1 VAL 55 10.989 -3.624 4.594 352 3HG1 VAL 55 3HG1 VAL 55 9.371 -3.871 3.895 353 1HG2 VAL 55 1HG2 VAL 55 11.331 -5.730 4.761 354 2HG2 VAL 55 2HG2 VAL 55 11.374 -5.931 6.530 355 3HG2 VAL 55 3HG2 VAL 55 10.239 -6.893 5.551 356 H THR 56 H THR 56 11.978 -4.086 6.192 357 HA THR 56 HA THR 56 12.447 -1.443 7.320 358 HB THR 56 HB THR 56 13.788 -4.007 8.159 359 HG1 THR 56 1HG THR 56 13.590 -2.815 10.114 360 1HG2 THR 56 1HG2 THR 56 15.695 -2.812 7.115 361 2HG2 THR 56 2HG2 THR 56 15.200 -1.298 7.910 362 3HG2 THR 56 3HG2 THR 56 15.795 -2.661 8.887 363 H ALA 57 H ALA 57 14.421 -0.414 6.391 364 HA ALA 57 HA ALA 57 14.400 -0.835 3.584 365 1HB ALA 57 1HB ALA 57 16.574 0.823 4.288 366 2HB ALA 57 2HB ALA 57 14.944 1.337 3.788 367 3HB ALA 57 3HB ALA 57 15.323 1.132 5.515 368 H ASP 58 H ASP 58 16.850 -0.719 2.550 369 HA ASP 58 HA ASP 58 18.376 -2.808 3.867 370 1HB ASP 58 1HB ASP 58 18.779 -3.872 1.653 371 2HB ASP 58 2HB ASP 58 17.070 -3.921 2.112 372 HD2 ASP 58 HD2 ASP 58 17.066 -2.937 -1.301 373 H ALA 59 H ALA 59 20.635 -2.409 3.736 374 HA ALA 59 HA ALA 59 21.948 -0.307 3.626 375 1HB ALA 59 1HB ALA 59 23.093 -2.431 3.375 376 2HB ALA 59 2HB ALA 59 22.569 -2.563 1.679 377 3HB ALA 59 3HB ALA 59 23.731 -1.301 2.156 378 H ASN 60 H ASN 60 20.557 1.414 2.820 379 HA ASN 60 HA ASN 60 21.323 2.812 0.828 380 1HB ASN 60 1HB ASN 60 21.230 1.240 -0.934 381 2HB ASN 60 2HB ASN 60 19.721 0.519 -0.355 382 1HD2 ASN 60 1HD2 ASN 60 18.643 0.715 -2.262 383 2HD2 ASN 60 2HD2 ASN 60 18.128 2.222 -2.944 384 H GLY 61 H GLY 61 18.427 1.113 2.087 385 1HA GLY 61 1HA GLY 61 16.895 2.497 3.378 386 2HA GLY 61 2HA GLY 61 16.971 3.689 2.096 387 H SER 62 H SER 62 17.162 0.822 0.440 388 HA SER 62 HA SER 62 14.454 1.027 -0.358 389 1HB SER 62 1HB SER 62 16.888 -0.048 -1.393 390 2HB SER 62 2HB SER 62 15.708 -1.369 -1.371 391 HG SER 62 HG SER 62 14.509 -0.363 -2.879 392 H ALA 63 H ALA 63 12.712 -0.174 0.359 393 HA ALA 63 HA ALA 63 13.155 -1.985 2.535 394 1HB ALA 63 1HB ALA 63 10.488 -1.683 1.203 395 2HB ALA 63 2HB ALA 63 10.906 -1.702 2.934 396 3HB ALA 63 3HB ALA 63 11.198 -0.238 1.964 397 H SER 64 H SER 64 12.246 -4.221 2.559 398 HA SER 64 HA SER 64 11.849 -5.405 -0.014 399 1HB SER 64 1HB SER 64 13.636 -7.095 0.268 400 2HB SER 64 2HB SER 64 14.305 -5.457 0.141 401 HG SER 64 HG SER 64 14.669 -7.279 2.103 402 H THR 65 H THR 65 10.034 -6.624 0.353 403 HA THR 65 HA THR 65 9.939 -8.749 2.110 404 HB THR 65 HB THR 65 9.825 -6.370 3.566 405 HG1 THR 65 1HG THR 65 8.569 -8.999 3.938 406 1HG2 THR 65 1HG2 THR 65 7.518 -5.868 2.741 407 2HG2 THR 65 2HG2 THR 65 7.001 -7.506 3.207 408 3HG2 THR 65 3HG2 THR 65 7.488 -6.338 4.458 409 H SER 66 H SER 66 7.593 -9.563 2.406 410 HA SER 66 HA SER 66 6.343 -9.093 -0.154 411 1HB SER 66 1HB SER 66 5.647 -11.173 1.953 412 2HB SER 66 2HB SER 66 5.141 -11.173 0.254 413 HG SER 66 HG SER 66 7.143 -12.500 1.123 414 H LEU 67 H LEU 67 4.465 -7.910 -0.365 415 HA LEU 67 HA LEU 67 3.121 -7.171 2.134 416 1HB LEU 67 1HB LEU 67 2.987 -5.747 -0.511 417 2HB LEU 67 2HB LEU 67 2.443 -5.162 1.072 418 HG LEU 67 HG LEU 67 5.177 -5.272 -0.116 419 1HD1 LEU 67 1HD1 LEU 67 5.027 -3.154 1.636 420 2HD1 LEU 67 2HD1 LEU 67 4.688 -3.094 -0.110 421 3HD1 LEU 67 3HD1 LEU 67 3.353 -3.301 1.049 422 1HD2 LEU 67 1HD2 LEU 67 5.887 -4.844 2.436 423 2HD2 LEU 67 2HD2 LEU 67 4.555 -5.997 2.697 424 3HD2 LEU 67 3HD2 LEU 67 5.935 -6.448 1.664 425 H THR 68 H THR 68 0.906 -7.494 2.377 426 HA THR 68 HA THR 68 -0.220 -9.443 0.560 427 HB THR 68 HB THR 68 -0.489 -9.836 2.940 428 HG1 THR 68 1HG THR 68 -2.623 -10.238 2.504 429 1HG2 THR 68 1HG2 THR 68 -2.118 -7.953 4.044 430 2HG2 THR 68 2HG2 THR 68 -0.347 -7.879 4.199 431 3HG2 THR 68 3HG2 THR 68 -1.173 -6.905 2.959 432 H VAL 69 H VAL 69 -0.919 -8.690 -1.362 433 HA VAL 69 HA VAL 69 -1.977 -6.077 -1.637 434 HB VAL 69 HB VAL 69 -2.356 -8.359 -3.561 435 1HG1 VAL 69 1HG1 VAL 69 -3.429 -6.286 -4.189 436 2HG1 VAL 69 2HG1 VAL 69 -1.931 -5.371 -3.891 437 3HG1 VAL 69 3HG1 VAL 69 -2.009 -6.539 -5.233 438 1HG2 VAL 69 1HG2 VAL 69 0.038 -7.014 -4.227 439 2HG2 VAL 69 2HG2 VAL 69 0.156 -7.417 -2.497 440 3HG2 VAL 69 3HG2 VAL 69 -0.156 -8.700 -3.691 441 H ARG 70 H ARG 70 -3.471 -6.548 0.365 442 HA ARG 70 HA ARG 70 -5.668 -8.194 -0.020 443 1HB ARG 70 1HB ARG 70 -5.440 -5.689 1.709 444 2HB ARG 70 2HB ARG 70 -6.635 -6.979 1.923 445 1HG ARG 70 1HG ARG 70 -5.042 -8.489 2.728 446 2HG ARG 70 2HG ARG 70 -3.692 -7.671 1.921 447 1HD ARG 70 1HD ARG 70 -5.166 -6.089 3.983 448 2HD ARG 70 2HD ARG 70 -4.217 -7.452 4.594 449 HE ARG 70 HE ARG 70 -2.799 -5.718 2.686 450 1HH1 ARG 70 1HH1 ARG 70 -3.538 -6.336 6.071 451 2HH1 ARG 70 2HH1 ARG 70 -2.159 -5.469 6.662 452 1HH2 ARG 70 1HH2 ARG 70 -0.981 -4.574 3.465 453 2HH2 ARG 70 2HH2 ARG 70 -0.696 -4.460 5.169 454 H ARG 71 H ARG 71 -7.582 -7.885 -1.153 455 HA ARG 71 HA ARG 71 -7.791 -5.452 -2.628 456 1HB ARG 71 1HB ARG 71 -9.964 -6.712 -3.450 457 2HB ARG 71 2HB ARG 71 -8.375 -7.314 -3.952 458 1HG ARG 71 1HG ARG 71 -8.733 -9.275 -2.903 459 2HG ARG 71 2HG ARG 71 -9.123 -8.460 -1.379 460 1HD ARG 71 1HD ARG 71 -11.388 -7.981 -2.900 461 2HD ARG 71 2HD ARG 71 -10.923 -9.597 -3.448 462 HE ARG 71 HE ARG 71 -10.793 -9.432 -0.571 463 1HH1 ARG 71 1HH1 ARG 71 -13.099 -9.651 -3.220 464 2HH1 ARG 71 2HH1 ARG 71 -14.322 -10.418 -2.261 465 1HH2 ARG 71 1HH2 ARG 71 -12.404 -10.444 0.694 466 2HH2 ARG 71 2HH2 ARG 71 -13.923 -10.871 -0.020 467 H SER 72 H SER 72 -10.362 -7.383 -0.927 468 HA SER 72 HA SER 72 -12.029 -5.253 -0.538 469 1HB SER 72 1HB SER 72 -12.766 -7.561 -0.318 470 2HB SER 72 2HB SER 72 -11.718 -7.814 1.089 471 HG SER 72 HG SER 72 -13.764 -7.417 1.912 472 H PHE 73 H PHE 73 -11.254 -3.358 0.398 473 HA PHE 73 HA PHE 73 -10.357 -3.616 3.166 474 1HB PHE 73 1HB PHE 73 -8.842 -2.841 0.802 475 2HB PHE 73 2HB PHE 73 -9.034 -1.406 1.817 476 HD1 PHE 73 1HD PHE 73 -6.637 -1.307 2.234 477 HD2 PHE 73 2HD PHE 73 -8.894 -4.732 3.325 478 HE1 PHE 73 1HE PHE 73 -4.742 -2.096 3.680 479 HE2 PHE 73 2HE PHE 73 -6.999 -5.520 4.770 480 HZ PHE 73 HZ PHE 73 -4.946 -4.193 4.930 481 H GLU 74 H GLU 74 -10.444 -1.437 4.325 482 HA GLU 74 HA GLU 74 -12.584 0.159 3.145 483 1HB GLU 74 1HB GLU 74 -13.160 0.636 5.641 484 2HB GLU 74 2HB GLU 74 -13.655 -0.917 4.945 485 1HG GLU 74 1HG GLU 74 -12.185 -2.103 6.240 486 2HG GLU 74 2HG GLU 74 -10.925 -0.862 6.148 487 HE2 GLU 74 HE2 GLU 74 -12.054 0.695 9.038 488 H GLY 75 H GLY 75 -10.611 1.328 2.228 489 1HA GLY 75 1HA GLY 75 -8.728 2.620 3.825 490 2HA GLY 75 2HA GLY 75 -9.240 3.107 2.220 491 H PHE 76 H PHE 76 -8.565 5.101 3.999 492 HA PHE 76 HA PHE 76 -11.189 6.143 4.811 493 1HB PHE 76 1HB PHE 76 -8.342 6.348 5.907 494 2HB PHE 76 2HB PHE 76 -9.548 7.561 6.351 495 HD1 PHE 76 1HD PHE 76 -10.352 7.226 8.475 496 HD2 PHE 76 2HD PHE 76 -9.537 3.828 6.067 497 HE1 PHE 76 1HE PHE 76 -11.160 5.727 10.319 498 HE2 PHE 76 2HE PHE 76 -10.345 2.329 7.911 499 HZ PHE 76 HZ PHE 76 -11.145 3.296 10.014 500 H LEU 77 H LEU 77 -11.839 8.061 3.913 501 HA LEU 77 HA LEU 77 -10.923 9.097 1.672 502 1HB LEU 77 1HB LEU 77 -12.248 10.300 4.039 503 2HB LEU 77 2HB LEU 77 -11.673 11.396 2.771 504 HG LEU 77 HG LEU 77 -14.103 10.636 2.677 505 1HD1 LEU 77 1HD1 LEU 77 -12.139 10.953 0.565 506 2HD1 LEU 77 2HD1 LEU 77 -13.493 9.916 0.051 507 3HD1 LEU 77 3HD1 LEU 77 -13.811 11.554 0.674 508 1HD2 LEU 77 1HD2 LEU 77 -13.814 8.294 3.210 509 2HD2 LEU 77 2HD2 LEU 77 -14.522 8.457 1.585 510 3HD2 LEU 77 3HD2 LEU 77 -12.798 8.056 1.769 511 H PHE 78 H PHE 78 -9.846 10.439 4.880 512 HA PHE 78 HA PHE 78 -7.216 10.355 4.620 513 1HB PHE 78 1HB PHE 78 -7.061 11.419 2.504 514 2HB PHE 78 2HB PHE 78 -8.485 12.424 2.797 515 HD1 PHE 78 1HD PHE 78 -4.975 12.384 2.595 516 HD2 PHE 78 2HD PHE 78 -8.175 14.242 4.673 517 HE1 PHE 78 1HE PHE 78 -3.477 14.310 3.182 518 HE2 PHE 78 2HE PHE 78 -6.676 16.168 5.260 519 HZ PHE 78 HZ PHE 78 -4.344 16.179 4.507 520 H ASP 79 H ASP 79 -10.095 12.215 5.402 521 HA ASP 79 HA ASP 79 -8.629 13.806 7.307 522 1HB ASP 79 1HB ASP 79 -11.128 14.006 5.863 523 2HB ASP 79 2HB ASP 79 -11.463 14.140 7.596 524 HD2 ASP 79 HD2 ASP 79 -9.756 17.200 7.784 525 H GLY 80 H GLY 80 -11.697 11.819 7.300 526 1HA GLY 80 1HA GLY 80 -10.907 10.131 9.425 527 2HA GLY 80 2HA GLY 80 -11.869 11.454 10.055 528 H THR 81 H THR 81 -12.150 9.923 6.797 529 HA THR 81 HA THR 81 -14.786 8.902 7.625 530 HB THR 81 HB THR 81 -13.962 10.307 5.029 531 HG1 THR 81 1HG THR 81 -14.547 11.917 6.457 532 1HG2 THR 81 1HG2 THR 81 -16.296 10.098 4.361 533 2HG2 THR 81 2HG2 THR 81 -15.729 8.458 4.757 534 3HG2 THR 81 3HG2 THR 81 -16.730 9.359 5.922 535 H ARG 82 H ARG 82 -14.947 6.761 7.510 536 HA ARG 82 HA ARG 82 -12.887 5.359 6.131 537 1HB ARG 82 1HB ARG 82 -14.185 3.323 7.006 538 2HB ARG 82 2HB ARG 82 -13.567 4.426 8.250 539 1HG ARG 82 1HG ARG 82 -16.200 5.272 7.358 540 2HG ARG 82 2HG ARG 82 -16.252 3.572 7.858 541 1HD ARG 82 1HD ARG 82 -15.067 4.271 9.997 542 2HD ARG 82 2HD ARG 82 -15.280 5.957 9.500 543 HE ARG 82 HE ARG 82 -17.579 5.786 9.989 544 1HH1 ARG 82 1HH1 ARG 82 -16.095 2.596 10.053 545 2HH1 ARG 82 2HH1 ARG 82 -17.479 1.825 10.753 546 1HH2 ARG 82 1HH2 ARG 82 -19.406 4.770 10.912 547 2HH2 ARG 82 2HH2 ARG 82 -19.376 3.071 11.244 548 H TRP 83 H TRP 83 -13.047 4.969 3.944 549 HA TRP 83 HA TRP 83 -15.234 5.434 2.388 550 1HB TRP 83 1HB TRP 83 -12.642 4.271 2.100 551 2HB TRP 83 2HB TRP 83 -13.806 3.286 1.212 552 HD1 TRP 83 HD TRP 83 -11.790 6.389 0.830 553 HE1 TRP 83 1HE TRP 83 -12.441 7.797 -1.304 554 HE3 TRP 83 3HE TRP 83 -16.135 3.924 -0.118 555 HZ2 TRP 83 2HZ TRP 83 -14.650 7.724 -3.109 556 HZ3 TRP 83 3HZ TRP 83 -17.480 4.655 -2.086 557 HH2 TRP 83 HH TRP 83 -16.801 6.484 -3.557 558 H GLY 84 H GLY 84 -14.071 2.039 2.829 559 1HA GLY 84 1HA GLY 84 -16.115 0.901 4.210 560 2HA GLY 84 2HA GLY 84 -16.761 1.044 2.587 561 H THR 85 H THR 85 -15.939 -1.382 4.218 562 HA THR 85 HA THR 85 -13.555 -2.402 3.055 563 HB THR 85 HB THR 85 -15.894 -3.558 4.643 564 HG1 THR 85 1HG THR 85 -14.217 -3.430 6.248 565 1HG2 THR 85 1HG2 THR 85 -14.267 -5.508 5.019 566 2HG2 THR 85 2HG2 THR 85 -15.017 -5.471 3.406 567 3HG2 THR 85 3HG2 THR 85 -13.343 -4.906 3.621 568 H VAL 86 H VAL 86 -14.163 -1.676 0.788 569 HA VAL 86 HA VAL 86 -15.756 -3.809 -0.461 570 HB VAL 86 HB VAL 86 -16.674 -1.471 -0.542 571 1HG1 VAL 86 1HG1 VAL 86 -14.193 -0.602 -0.986 572 2HG1 VAL 86 2HG1 VAL 86 -14.699 -0.797 -2.682 573 3HG1 VAL 86 3HG1 VAL 86 -15.622 0.268 -1.595 574 1HG2 VAL 86 1HG2 VAL 86 -17.653 -1.883 -2.561 575 2HG2 VAL 86 2HG2 VAL 86 -16.105 -2.224 -3.370 576 3HG2 VAL 86 3HG2 VAL 86 -16.859 -3.459 -2.332 577 H ASP 87 H ASP 87 -15.022 -4.109 -2.879 578 HA ASP 87 HA ASP 87 -12.448 -5.067 -2.785 579 1HB ASP 87 1HB ASP 87 -14.582 -4.708 -4.783 580 2HB ASP 87 2HB ASP 87 -12.968 -4.629 -5.505 581 HD2 ASP 87 HD2 ASP 87 -13.264 -8.061 -3.651 582 H CYS 88 H CYS 88 -10.968 -3.362 -2.133 583 HA CYS 88 HA CYS 88 -10.896 -0.813 -3.054 584 1HB CYS 88 1HB CYS 88 -8.697 -0.674 -2.286 585 2HB CYS 88 2HB CYS 88 -9.512 -1.841 -1.230 586 H THR 89 H THR 89 -10.129 -3.830 -4.702 587 HA THR 89 HA THR 89 -8.356 -2.991 -6.644 588 HB THR 89 HB THR 89 -9.093 -5.349 -6.171 589 HG1 THR 89 1HG THR 89 -9.705 -4.279 -8.837 590 1HG2 THR 89 1HG2 THR 89 -11.358 -5.729 -6.111 591 2HG2 THR 89 2HG2 THR 89 -11.711 -4.199 -6.948 592 3HG2 THR 89 3HG2 THR 89 -11.287 -5.649 -7.887 593 H THR 90 H THR 90 -11.761 -2.191 -6.226 594 HA THR 90 HA THR 90 -12.222 -1.412 -8.913 595 HB THR 90 HB THR 90 -13.568 -1.342 -6.258 596 HG1 THR 90 1HG THR 90 -15.284 -1.915 -7.832 597 1HG2 THR 90 1HG2 THR 90 -15.273 0.306 -7.017 598 2HG2 THR 90 2HG2 THR 90 -13.689 1.100 -6.845 599 3HG2 THR 90 3HG2 THR 90 -14.294 0.663 -8.460 600 H ALA 91 H ALA 91 -10.557 0.071 -6.194 601 HA ALA 91 HA ALA 91 -10.444 2.572 -7.735 602 1HB ALA 91 1HB ALA 91 -10.193 1.986 -4.762 603 2HB ALA 91 2HB ALA 91 -9.792 3.559 -5.492 604 3HB ALA 91 3HB ALA 91 -11.456 2.935 -5.582 605 H ALA 92 H ALA 92 -8.895 0.105 -8.284 606 HA ALA 92 HA ALA 92 -6.784 -0.662 -8.370 607 1HB ALA 92 1HB ALA 92 -5.262 1.357 -9.225 608 2HB ALA 92 2HB ALA 92 -6.569 0.688 -10.232 609 3HB ALA 92 3HB ALA 92 -6.834 2.188 -9.310 610 H CYS 93 H CYS 93 -7.214 -0.626 -5.764 611 HA CYS 93 HA CYS 93 -6.048 1.095 -4.086 612 1HB CYS 93 1HB CYS 93 -5.266 -1.294 -2.997 613 2HB CYS 93 2HB CYS 93 -6.836 -0.504 -2.771 614 H GLN 94 H GLN 94 -3.857 0.954 -2.924 615 HA GLN 94 HA GLN 94 -1.793 -0.051 -4.702 616 1HB GLN 94 1HB GLN 94 -0.534 1.974 -4.631 617 2HB GLN 94 2HB GLN 94 -2.190 2.451 -5.048 618 1HG GLN 94 1HG GLN 94 -1.914 2.396 -2.174 619 2HG GLN 94 2HG GLN 94 -0.578 3.343 -2.848 620 1HE2 GLN 94 1HE2 GLN 94 -1.171 4.960 -4.508 621 2HE2 GLN 94 2HE2 GLN 94 -2.628 5.874 -4.302 622 H VAL 95 H VAL 95 0.258 -0.526 -3.608 623 HA VAL 95 HA VAL 95 0.061 -0.490 -0.686 624 HB VAL 95 HB VAL 95 -0.654 -2.683 -1.460 625 1HG1 VAL 95 1HG1 VAL 95 1.058 -2.353 -3.555 626 2HG1 VAL 95 2HG1 VAL 95 1.988 -3.473 -2.530 627 3HG1 VAL 95 3HG1 VAL 95 0.349 -3.912 -3.068 628 1HG2 VAL 95 1HG2 VAL 95 1.058 -2.205 0.537 629 2HG2 VAL 95 2HG2 VAL 95 0.526 -3.850 0.114 630 3HG2 VAL 95 3HG2 VAL 95 2.102 -3.250 -0.457 631 H GLY 96 H GLY 96 1.758 0.632 0.102 632 1HA GLY 96 1HA GLY 96 4.330 0.396 -1.334 633 2HA GLY 96 2HA GLY 96 3.693 1.953 -0.844 634 H LEU 97 H LEU 97 5.606 2.271 0.506 635 HA LEU 97 HA LEU 97 5.555 0.608 2.927 636 1HB LEU 97 1HB LEU 97 7.689 1.526 1.192 637 2HB LEU 97 2HB LEU 97 7.966 1.974 2.884 638 HG LEU 97 HG LEU 97 9.044 -0.073 2.651 639 1HD1 LEU 97 1HD1 LEU 97 7.254 0.094 4.519 640 2HD1 LEU 97 2HD1 LEU 97 6.379 -1.126 3.563 641 3HD1 LEU 97 3HD1 LEU 97 8.011 -1.480 4.179 642 1HD2 LEU 97 1HD2 LEU 97 7.493 -2.052 1.645 643 2HD2 LEU 97 2HD2 LEU 97 6.898 -0.663 0.705 644 3HD2 LEU 97 3HD2 LEU 97 8.628 -1.079 0.681 645 H SER 98 H SER 98 5.794 1.689 4.985 646 HA SER 98 HA SER 98 5.343 4.555 4.830 647 1HB SER 98 1HB SER 98 3.275 2.849 5.318 648 2HB SER 98 2HB SER 98 3.853 3.110 6.973 649 HG SER 98 HG SER 98 3.815 5.525 5.867 650 H ASP 99 H ASP 99 5.973 5.711 6.836 651 HA ASP 99 HA ASP 99 8.158 4.344 8.080 652 1HB ASP 99 1HB ASP 99 7.463 7.001 9.137 653 2HB ASP 99 2HB ASP 99 8.986 6.445 8.427 654 HD2 ASP 99 HD2 ASP 99 8.338 8.414 5.725 655 H ALA 100 H ALA 100 8.343 5.106 10.647 656 HA ALA 100 HA ALA 100 6.083 3.861 11.899 657 1HB ALA 100 1HB ALA 100 8.438 5.177 13.277 658 2HB ALA 100 2HB ALA 100 7.464 3.790 13.817 659 3HB ALA 100 3HB ALA 100 8.597 3.605 12.458 660 H ALA 101 H ALA 101 6.308 6.798 10.559 661 HA ALA 101 HA ALA 101 4.883 8.088 12.786 662 1HB ALA 101 1HB ALA 101 6.002 10.059 12.397 663 2HB ALA 101 2HB ALA 101 7.266 8.922 11.868 664 3HB ALA 101 3HB ALA 101 6.224 9.719 10.664 665 H GLY 102 H GLY 102 4.700 6.667 9.706 666 1HA GLY 102 1HA GLY 102 2.992 6.522 8.244 667 2HA GLY 102 2HA GLY 102 2.002 7.465 9.339 668 H ASN 103 H ASN 103 5.151 8.398 7.824 669 HA ASN 103 HA ASN 103 4.365 10.939 7.248 670 1HB ASN 103 1HB ASN 103 6.684 9.508 7.006 671 2HB ASN 103 2HB ASN 103 6.245 9.645 5.296 672 1HD2 ASN 103 1HD2 ASN 103 7.386 11.191 4.419 673 2HD2 ASN 103 2HD2 ASN 103 7.668 12.777 5.055 674 H GLY 104 H GLY 104 4.986 11.318 4.435 675 1HA GLY 104 1HA GLY 104 2.564 11.182 3.194 676 2HA GLY 104 2HA GLY 104 4.107 11.208 2.363 677 HA PRO 105 HA PRO 105 2.044 6.951 2.277 678 1HB PRO 105 1HB PRO 105 -0.203 7.159 0.737 679 2HB PRO 105 2HB PRO 105 -0.243 7.111 2.499 680 1HG PRO 105 1HG PRO 105 -0.563 9.393 0.656 681 2HG PRO 105 2HG PRO 105 -1.074 9.259 2.376 682 1HD PRO 105 1HD PRO 105 1.157 10.685 1.287 683 2HD PRO 105 2HD PRO 105 0.789 10.454 3.001 684 H GLU 106 H GLU 106 0.791 6.073 -0.181 685 HA GLU 106 HA GLU 106 1.227 6.161 -2.420 686 1HB GLU 106 1HB GLU 106 2.722 8.211 -2.053 687 2HB GLU 106 2HB GLU 106 4.071 7.078 -1.852 688 1HG GLU 106 1HG GLU 106 4.046 6.452 -4.081 689 2HG GLU 106 2HG GLU 106 2.308 6.731 -4.263 690 HE2 GLU 106 HE2 GLU 106 2.801 10.001 -5.252 691 H GLY 107 H GLY 107 2.219 4.460 -3.730 692 1HA GLY 107 1HA GLY 107 4.242 2.766 -2.627 693 2HA GLY 107 2HA GLY 107 2.642 2.071 -2.448 694 H VAL 108 H VAL 108 1.287 1.756 -4.411 695 HA VAL 108 HA VAL 108 2.163 2.238 -6.981 696 HB VAL 108 HB VAL 108 4.026 0.881 -6.791 697 1HG1 VAL 108 1HG1 VAL 108 2.323 -0.816 -4.986 698 2HG1 VAL 108 2HG1 VAL 108 3.739 -1.531 -5.794 699 3HG1 VAL 108 3HG1 VAL 108 3.944 -0.133 -4.711 700 1HG2 VAL 108 1HG2 VAL 108 1.819 -0.950 -7.788 701 2HG2 VAL 108 2HG2 VAL 108 2.705 0.258 -8.748 702 3HG2 VAL 108 3HG2 VAL 108 3.559 -1.161 -8.096 703 H ALA 109 H ALA 109 0.429 1.901 -8.323 704 HA ALA 109 HA ALA 109 -1.927 0.806 -7.103 705 1HB ALA 109 1HB ALA 109 -2.429 2.671 -8.380 706 2HB ALA 109 2HB ALA 109 -1.205 2.290 -9.615 707 3HB ALA 109 3HB ALA 109 -2.737 1.385 -9.572 708 H ILE 110 H ILE 110 -2.121 -1.380 -6.949 709 HA ILE 110 HA ILE 110 -1.176 -2.947 -9.243 710 HB ILE 110 HB ILE 110 -1.443 -3.563 -6.313 711 1HG1 ILE 110 1HG1 ILE 110 0.966 -4.482 -7.507 712 2HG1 ILE 110 2HG1 ILE 110 0.703 -2.811 -8.043 713 1HG2 ILE 110 1HG2 ILE 110 -1.136 -5.532 -8.594 714 2HG2 ILE 110 2HG2 ILE 110 -0.808 -5.906 -6.884 715 3HG2 ILE 110 3HG2 ILE 110 -2.451 -5.451 -7.397 716 1HD1 ILE 110 1HD1 ILE 110 1.986 -2.977 -5.889 717 2HD1 ILE 110 2HD1 ILE 110 0.463 -2.074 -5.714 718 3HD1 ILE 110 3HD1 ILE 110 0.572 -3.756 -5.142 719 H SER 111 H SER 111 -2.530 -4.866 -9.829 720 HA SER 111 HA SER 111 -5.275 -4.017 -9.824 721 1HB SER 111 1HB SER 111 -3.554 -5.804 -11.447 722 2HB SER 111 2HB SER 111 -5.227 -6.363 -11.266 723 HG SER 111 HG SER 111 -5.673 -4.965 -12.820 724 H PHE 112 H PHE 112 -5.919 -4.458 -7.629 725 HA PHE 112 HA PHE 112 -5.444 -6.992 -6.457 726 1HB PHE 112 1HB PHE 112 -7.262 -4.580 -5.967 727 2HB PHE 112 2HB PHE 112 -7.324 -5.981 -4.894 728 HD1 PHE 112 1HD PHE 112 -4.860 -3.577 -6.340 729 HD2 PHE 112 2HD PHE 112 -5.970 -5.980 -3.024 730 HE1 PHE 112 1HE PHE 112 -2.952 -2.628 -5.014 731 HE2 PHE 112 2HE PHE 112 -4.063 -5.031 -1.697 732 HZ PHE 112 HZ PHE 112 -2.576 -3.366 -2.708 733 H ASN 113 H ASN 113 -7.441 -8.261 -5.513 734 HA ASN 113 HA ASN 113 -9.006 -9.694 -5.991 735 1HB ASN 113 1HB ASN 113 -10.337 -7.533 -5.739 736 2HB ASN 113 2HB ASN 113 -10.358 -7.401 -7.505 737 1HD2 ASN 113 1HD2 ASN 113 -11.449 -8.961 -8.736 738 2HD2 ASN 113 2HD2 ASN 113 -12.715 -9.941 -8.077 Start of MODEL 40 1 H ALA 1 H ALA 1 4.656 11.764 -4.883 2 HA ALA 1 HA ALA 1 6.679 12.729 -4.502 3 1HB ALA 1 1HB ALA 1 6.994 11.460 -1.908 4 2HB ALA 1 2HB ALA 1 6.453 13.111 -2.298 5 3HB ALA 1 3HB ALA 1 5.275 11.777 -2.243 6 H ALA 2 H ALA 2 7.629 11.185 -6.263 7 HA ALA 2 HA ALA 2 9.125 9.644 -6.916 8 1HB ALA 2 1HB ALA 2 10.373 11.753 -6.229 9 2HB ALA 2 2HB ALA 2 10.789 10.916 -4.714 10 3HB ALA 2 3HB ALA 2 11.350 10.266 -6.272 11 HA PRO 3 HA PRO 3 8.435 6.798 -3.409 12 1HB PRO 3 1HB PRO 3 6.577 5.162 -4.564 13 2HB PRO 3 2HB PRO 3 6.153 6.499 -3.497 14 1HG PRO 3 1HG PRO 3 5.994 6.293 -6.435 15 2HG PRO 3 2HG PRO 3 5.131 7.434 -5.341 16 1HD PRO 3 1HD PRO 3 7.369 7.955 -7.047 17 2HD PRO 3 2HD PRO 3 6.659 9.068 -5.871 18 H THR 4 H THR 4 9.661 5.026 -3.008 19 HA THR 4 HA THR 4 10.832 3.887 -5.455 20 HB THR 4 HB THR 4 12.034 3.526 -2.712 21 HG1 THR 4 1HG THR 4 11.911 5.937 -4.382 22 1HG2 THR 4 1HG2 THR 4 13.351 2.672 -4.569 23 2HG2 THR 4 2HG2 THR 4 13.052 4.141 -5.530 24 3HG2 THR 4 3HG2 THR 4 14.101 4.214 -4.093 25 H ALA 5 H ALA 5 8.430 3.308 -3.189 26 HA ALA 5 HA ALA 5 8.964 0.520 -2.788 27 1HB ALA 5 1HB ALA 5 6.224 1.245 -2.300 28 2HB ALA 5 2HB ALA 5 7.507 0.884 -1.120 29 3HB ALA 5 3HB ALA 5 7.274 2.551 -1.700 30 H THR 6 H THR 6 8.170 -1.220 -3.946 31 HA THR 6 HA THR 6 6.088 -0.808 -5.898 32 HB THR 6 HB THR 6 7.520 -1.478 -7.814 33 HG1 THR 6 1HG THR 6 9.780 -1.832 -7.324 34 1HG2 THR 6 1HG2 THR 6 8.993 0.477 -7.992 35 2HG2 THR 6 2HG2 THR 6 7.486 0.999 -7.202 36 3HG2 THR 6 3HG2 THR 6 8.950 0.719 -6.229 37 H VAL 7 H VAL 7 5.226 -2.797 -6.738 38 HA VAL 7 HA VAL 7 5.920 -5.037 -4.975 39 HB VAL 7 HB VAL 7 3.396 -4.058 -6.246 40 1HG1 VAL 7 1HG1 VAL 7 3.814 -6.918 -5.315 41 2HG1 VAL 7 2HG1 VAL 7 2.288 -6.194 -5.876 42 3HG1 VAL 7 3HG1 VAL 7 3.645 -6.402 -7.010 43 1HG2 VAL 7 1HG2 VAL 7 3.078 -5.299 -3.682 44 2HG2 VAL 7 2HG2 VAL 7 4.480 -4.204 -3.618 45 3HG2 VAL 7 3HG2 VAL 7 2.891 -3.586 -4.128 46 H THR 8 H THR 8 6.984 -6.733 -5.855 47 HA THR 8 HA THR 8 8.108 -6.933 -8.219 48 HB THR 8 HB THR 8 6.859 -8.937 -6.350 49 HG1 THR 8 1HG THR 8 9.023 -7.924 -6.156 50 1HG2 THR 8 1HG2 THR 8 8.316 -9.792 -8.892 51 2HG2 THR 8 2HG2 THR 8 7.518 -10.831 -7.687 52 3HG2 THR 8 3HG2 THR 8 6.540 -9.820 -8.778 53 HA PRO 9 HA PRO 9 4.440 -8.525 -10.610 54 1HB PRO 9 1HB PRO 9 2.114 -9.259 -9.381 55 2HB PRO 9 2HB PRO 9 3.408 -10.396 -9.751 56 1HG PRO 9 1HG PRO 9 2.644 -9.164 -7.182 57 2HG PRO 9 2HG PRO 9 3.619 -10.650 -7.469 58 1HD PRO 9 1HD PRO 9 4.525 -8.053 -6.675 59 2HD PRO 9 2HD PRO 9 5.538 -9.439 -7.099 60 H SER 10 H SER 10 1.907 -7.567 -8.439 61 HA SER 10 HA SER 10 0.939 -5.581 -8.187 62 1HB SER 10 1HB SER 10 1.740 -3.608 -9.056 63 2HB SER 10 2HB SER 10 3.192 -4.608 -9.257 64 HG SER 10 HG SER 10 3.047 -4.240 -11.352 65 H SER 11 H SER 11 0.046 -7.908 -9.643 66 HA SER 11 HA SER 11 -2.081 -6.712 -11.053 67 1HB SER 11 1HB SER 11 -0.360 -6.669 -12.832 68 2HB SER 11 2HB SER 11 -0.126 -8.418 -12.659 69 HG SER 11 HG SER 11 -1.583 -7.706 -14.437 70 H GLY 12 H GLY 12 -3.849 -8.208 -11.288 71 1HA GLY 12 1HA GLY 12 -5.088 -9.959 -10.605 72 2HA GLY 12 2HA GLY 12 -3.785 -10.938 -11.250 73 H LEU 13 H LEU 13 -3.498 -8.649 -8.487 74 HA LEU 13 HA LEU 13 -2.541 -10.848 -6.867 75 1HB LEU 13 1HB LEU 13 -2.721 -7.906 -6.254 76 2HB LEU 13 2HB LEU 13 -1.831 -9.128 -5.330 77 HG LEU 13 HG LEU 13 -1.189 -7.889 -7.992 78 1HD1 LEU 13 1HD1 LEU 13 0.802 -8.504 -5.849 79 2HD1 LEU 13 2HD1 LEU 13 0.736 -7.150 -7.002 80 3HD1 LEU 13 3HD1 LEU 13 -0.352 -7.173 -5.593 81 1HD2 LEU 13 1HD2 LEU 13 0.337 -9.572 -8.593 82 2HD2 LEU 13 2HD2 LEU 13 0.205 -10.380 -7.013 83 3HD2 LEU 13 3HD2 LEU 13 -1.158 -10.434 -8.157 84 H SER 14 H SER 14 -4.350 -8.095 -5.519 85 HA SER 14 HA SER 14 -6.039 -8.031 -4.151 86 1HB SER 14 1HB SER 14 -7.575 -8.189 -5.862 87 2HB SER 14 2HB SER 14 -7.015 -9.790 -6.378 88 HG SER 14 HG SER 14 -8.961 -9.057 -4.471 89 H ASP 15 H ASP 15 -7.805 -9.679 -2.904 90 HA ASP 15 HA ASP 15 -7.971 -11.084 -1.259 91 1HB ASP 15 1HB ASP 15 -7.641 -12.619 -3.367 92 2HB ASP 15 2HB ASP 15 -6.065 -12.991 -2.652 93 HD2 ASP 15 HD2 ASP 15 -8.170 -14.284 0.156 94 H GLY 16 H GLY 16 -5.671 -9.162 -1.259 95 1HA GLY 16 1HA GLY 16 -3.837 -8.681 -0.054 96 2HA GLY 16 2HA GLY 16 -4.325 -9.961 1.039 97 H THR 17 H THR 17 -3.290 -10.061 -2.443 98 HA THR 17 HA THR 17 -1.760 -12.389 -2.082 99 HB THR 17 HB THR 17 -2.467 -10.446 -4.193 100 HG1 THR 17 1HG THR 17 -3.242 -12.578 -4.296 101 1HG2 THR 17 1HG2 THR 17 -0.198 -10.046 -4.715 102 2HG2 THR 17 2HG2 THR 17 0.332 -11.598 -4.025 103 3HG2 THR 17 3HG2 THR 17 -0.491 -11.560 -5.604 104 H VAL 18 H VAL 18 -0.313 -12.276 -0.378 105 HA VAL 18 HA VAL 18 1.454 -10.078 -0.099 106 HB VAL 18 HB VAL 18 1.981 -12.790 1.048 107 1HG1 VAL 18 1HG1 VAL 18 1.937 -10.514 2.861 108 2HG1 VAL 18 2HG1 VAL 18 3.255 -11.650 2.489 109 3HG1 VAL 18 3HG1 VAL 18 2.998 -10.218 1.463 110 1HG2 VAL 18 1HG2 VAL 18 -0.276 -12.874 1.496 111 2HG2 VAL 18 2HG2 VAL 18 0.297 -11.954 2.908 112 3HG2 VAL 18 3HG2 VAL 18 -0.450 -11.103 1.534 113 H VAL 19 H VAL 19 2.473 -9.760 -2.139 114 HA VAL 19 HA VAL 19 4.150 -11.982 -3.040 115 HB VAL 19 HB VAL 19 4.420 -10.296 -5.015 116 1HG1 VAL 19 1HG1 VAL 19 1.792 -11.161 -5.497 117 2HG1 VAL 19 2HG1 VAL 19 3.302 -12.005 -5.918 118 3HG1 VAL 19 3HG1 VAL 19 2.484 -12.359 -4.377 119 1HG2 VAL 19 1HG2 VAL 19 2.845 -8.632 -5.302 120 2HG2 VAL 19 2HG2 VAL 19 1.675 -9.393 -4.198 121 3HG2 VAL 19 3HG2 VAL 19 3.101 -8.552 -3.543 122 H LYS 20 H LYS 20 6.378 -11.265 -3.913 123 HA LYS 20 HA LYS 20 7.760 -10.068 -1.769 124 1HB LYS 20 1HB LYS 20 8.359 -11.448 -4.254 125 2HB LYS 20 2HB LYS 20 9.490 -10.118 -3.954 126 1HG LYS 20 1HG LYS 20 9.628 -11.072 -1.537 127 2HG LYS 20 2HG LYS 20 8.881 -12.531 -2.209 128 1HD LYS 20 1HD LYS 20 10.776 -12.381 -4.004 129 2HD LYS 20 2HD LYS 20 11.575 -11.290 -2.858 130 1HE LYS 20 1HE LYS 20 11.042 -13.235 -1.129 131 2HE LYS 20 2HE LYS 20 10.942 -14.236 -2.587 132 1HZ LYS 20 1HZ LYS 20 13.147 -13.470 -3.158 133 2HZ LYS 20 2HZ LYS 20 13.227 -12.559 -1.805 134 3HZ LYS 20 3HZ LYS 20 13.155 -14.186 -1.691 135 H VAL 21 H VAL 21 7.843 -7.952 -1.267 136 HA VAL 21 HA VAL 21 7.633 -6.062 -3.509 137 HB VAL 21 HB VAL 21 6.665 -5.883 -0.653 138 1HG1 VAL 21 1HG1 VAL 21 7.661 -3.769 -2.211 139 2HG1 VAL 21 2HG1 VAL 21 5.889 -3.650 -2.338 140 3HG1 VAL 21 3HG1 VAL 21 6.670 -3.650 -0.737 141 1HG2 VAL 21 1HG2 VAL 21 4.495 -5.319 -2.024 142 2HG2 VAL 21 2HG2 VAL 21 5.343 -6.170 -3.337 143 3HG2 VAL 21 3HG2 VAL 21 5.004 -7.010 -1.805 144 H ALA 22 H ALA 22 9.163 -4.414 -3.658 145 HA ALA 22 HA ALA 22 11.173 -4.331 -1.529 146 1HB ALA 22 1HB ALA 22 12.203 -5.754 -3.132 147 2HB ALA 22 2HB ALA 22 11.609 -4.778 -4.498 148 3HB ALA 22 3HB ALA 22 12.885 -4.138 -3.435 149 H GLY 23 H GLY 23 12.572 -2.300 -1.766 150 1HA GLY 23 1HA GLY 23 12.839 -0.095 -2.323 151 2HA GLY 23 2HA GLY 23 11.394 -0.148 -3.313 152 H ALA 24 H ALA 24 11.078 2.026 -2.150 153 HA ALA 24 HA ALA 24 8.972 2.222 -0.666 154 1HB ALA 24 1HB ALA 24 9.765 2.187 1.772 155 2HB ALA 24 2HB ALA 24 9.581 0.604 0.978 156 3HB ALA 24 3HB ALA 24 11.200 1.313 1.185 157 H GLY 25 H GLY 25 10.592 3.646 1.725 158 1HA GLY 25 1HA GLY 25 10.650 6.199 0.421 159 2HA GLY 25 2HA GLY 25 11.028 5.839 2.094 160 H LEU 26 H LEU 26 12.782 3.641 0.228 161 HA LEU 26 HA LEU 26 14.990 3.414 0.021 162 1HB LEU 26 1HB LEU 26 14.411 4.284 -2.103 163 2HB LEU 26 2HB LEU 26 14.452 5.955 -1.513 164 HG LEU 26 HG LEU 26 17.003 5.073 -0.979 165 1HD1 LEU 26 1HD1 LEU 26 17.804 4.004 -3.065 166 2HD1 LEU 26 2HD1 LEU 26 16.703 2.969 -2.124 167 3HD1 LEU 26 3HD1 LEU 26 16.113 3.802 -3.581 168 1HD2 LEU 26 1HD2 LEU 26 15.729 6.706 -3.128 169 2HD2 LEU 26 2HD2 LEU 26 16.887 7.174 -1.860 170 3HD2 LEU 26 3HD2 LEU 26 17.450 6.284 -3.295 171 H GLN 27 H GLN 27 14.706 4.033 2.557 172 HA GLN 27 HA GLN 27 16.086 6.472 3.148 173 1HB GLN 27 1HB GLN 27 14.625 4.365 4.683 174 2HB GLN 27 2HB GLN 27 15.863 5.276 5.565 175 1HG GLN 27 1HG GLN 27 13.992 6.866 3.865 176 2HG GLN 27 2HG GLN 27 13.278 6.107 5.295 177 1HE2 GLN 27 1HE2 GLN 27 12.945 8.365 5.895 178 2HE2 GLN 27 2HE2 GLN 27 14.198 9.227 6.724 179 H ALA 28 H ALA 28 16.732 3.606 5.119 180 HA ALA 28 HA ALA 28 18.993 2.602 3.953 181 1HB ALA 28 1HB ALA 28 20.648 3.889 5.609 182 2HB ALA 28 2HB ALA 28 20.277 4.520 3.986 183 3HB ALA 28 3HB ALA 28 19.444 5.185 5.411 184 H GLY 29 H GLY 29 18.264 0.691 4.889 185 1HA GLY 29 1HA GLY 29 17.732 -0.788 6.514 186 2HA GLY 29 2HA GLY 29 19.171 -0.154 7.288 187 H THR 30 H THR 30 16.070 1.588 6.642 188 HA THR 30 HA THR 30 15.789 1.890 9.560 189 HB THR 30 HB THR 30 15.138 3.723 7.200 190 HG1 THR 30 1HG THR 30 16.596 5.032 8.715 191 1HG2 THR 30 1HG2 THR 30 13.326 3.900 8.939 192 2HG2 THR 30 2HG2 THR 30 14.577 4.129 10.185 193 3HG2 THR 30 3HG2 THR 30 14.359 5.350 8.908 194 H ALA 31 H ALA 31 13.635 1.906 10.458 195 HA ALA 31 HA ALA 31 12.114 -0.233 9.632 196 1HB ALA 31 1HB ALA 31 11.673 2.168 11.398 197 2HB ALA 31 2HB ALA 31 10.310 1.079 11.047 198 3HB ALA 31 3HB ALA 31 11.776 0.444 11.832 199 H TYR 32 H TYR 32 10.146 -0.452 8.460 200 HA TYR 32 HA TYR 32 9.121 1.889 7.100 201 1HB TYR 32 1HB TYR 32 10.808 -0.334 5.966 202 2HB TYR 32 2HB TYR 32 9.370 0.054 5.016 203 HD1 TYR 32 1HD TYR 32 12.754 0.654 5.239 204 HD2 TYR 32 2HD TYR 32 9.076 2.797 4.808 205 HE1 TYR 32 1HE TYR 32 14.000 2.591 4.161 206 HE2 TYR 32 2HE TYR 32 10.335 4.726 3.732 207 HH TYR 32 HH TYR 32 12.403 5.622 3.510 208 H ASP 33 H ASP 33 7.293 1.315 8.513 209 HA ASP 33 HA ASP 33 6.116 -1.158 8.510 210 1HB ASP 33 1HB ASP 33 5.309 0.308 10.139 211 2HB ASP 33 2HB ASP 33 5.174 1.665 9.009 212 HD2 ASP 33 HD2 ASP 33 1.822 1.091 8.838 213 H VAL 34 H VAL 34 4.697 -2.202 7.052 214 HA VAL 34 HA VAL 34 4.526 -1.217 4.425 215 HB VAL 34 HB VAL 34 3.279 -3.490 5.949 216 1HG1 VAL 34 1HG1 VAL 34 1.639 -2.695 4.254 217 2HG1 VAL 34 2HG1 VAL 34 2.873 -2.931 2.992 218 3HG1 VAL 34 3HG1 VAL 34 2.264 -4.327 3.913 219 1HG2 VAL 34 1HG2 VAL 34 5.335 -3.312 3.722 220 2HG2 VAL 34 2HG2 VAL 34 5.619 -3.759 5.422 221 3HG2 VAL 34 3HG2 VAL 34 4.671 -4.834 4.366 222 H GLY 35 H GLY 35 2.618 -0.567 3.217 223 1HA GLY 35 1HA GLY 35 0.449 0.494 4.921 224 2HA GLY 35 2HA GLY 35 1.232 1.485 3.706 225 H GLN 36 H GLN 36 -1.001 1.667 2.781 226 HA GLN 36 HA GLN 36 -1.319 0.388 0.493 227 1HB GLN 36 1HB GLN 36 -1.540 -1.796 1.270 228 2HB GLN 36 2HB GLN 36 -2.426 -1.315 2.726 229 1HG GLN 36 1HG GLN 36 -4.407 -1.566 1.675 230 2HG GLN 36 2HG GLN 36 -3.895 -0.546 0.321 231 1HE2 GLN 36 1HE2 GLN 36 -3.883 -1.487 -1.561 232 2HE2 GLN 36 2HE2 GLN 36 -3.638 -3.168 -1.901 233 H CYS 37 H CYS 37 -2.535 1.972 -0.438 234 HA CYS 37 HA CYS 37 -4.963 2.758 0.994 235 1HB CYS 37 1HB CYS 37 -3.170 4.648 -0.518 236 2HB CYS 37 2HB CYS 37 -4.649 5.061 0.368 237 H ALA 38 H ALA 38 -6.307 4.198 -0.807 238 HA ALA 38 HA ALA 38 -5.979 3.025 -3.444 239 1HB ALA 38 1HB ALA 38 -7.557 1.655 -1.779 240 2HB ALA 38 2HB ALA 38 -8.728 2.913 -2.244 241 3HB ALA 38 3HB ALA 38 -7.985 1.882 -3.492 242 H TRP 39 H TRP 39 -6.229 4.613 -4.937 243 HA TRP 39 HA TRP 39 -7.441 7.103 -4.014 244 1HB TRP 39 1HB TRP 39 -6.169 8.205 -5.550 245 2HB TRP 39 2HB TRP 39 -5.101 6.876 -5.096 246 HD1 TRP 39 HD TRP 39 -6.094 4.577 -7.009 247 HE1 TRP 39 1HE TRP 39 -5.839 4.650 -9.633 248 HE3 TRP 39 3HE TRP 39 -5.676 9.633 -7.351 249 HZ2 TRP 39 2HZ TRP 39 -5.499 6.768 -11.517 250 HZ3 TRP 39 3HZ TRP 39 -5.385 10.623 -9.619 251 HH2 TRP 39 HH TRP 39 -5.294 9.277 -11.658 252 H VAL 40 H VAL 40 -9.465 7.697 -4.705 253 HA VAL 40 HA VAL 40 -10.593 6.115 -6.911 254 HB VAL 40 HB VAL 40 -12.026 7.437 -4.601 255 1HG1 VAL 40 1HG1 VAL 40 -13.268 5.269 -6.220 256 2HG1 VAL 40 2HG1 VAL 40 -14.000 6.709 -5.472 257 3HG1 VAL 40 3HG1 VAL 40 -13.096 6.859 -6.999 258 1HG2 VAL 40 1HG2 VAL 40 -11.917 4.472 -4.833 259 2HG2 VAL 40 2HG2 VAL 40 -10.431 5.290 -4.293 260 3HG2 VAL 40 3HG2 VAL 40 -11.948 5.512 -3.389 261 H ASP 41 H ASP 41 -9.859 9.296 -5.556 262 HA ASP 41 HA ASP 41 -10.002 10.530 -7.989 263 1HB ASP 41 1HB ASP 41 -12.579 10.352 -6.572 264 2HB ASP 41 2HB ASP 41 -12.123 12.025 -6.928 265 HD2 ASP 41 HD2 ASP 41 -12.225 11.208 -10.439 266 H THR 42 H THR 42 -10.147 13.128 -7.552 267 HA THR 42 HA THR 42 -8.188 13.757 -5.688 268 HB THR 42 HB THR 42 -10.349 15.475 -7.019 269 HG1 THR 42 1HG THR 42 -8.613 15.642 -8.592 270 1HG2 THR 42 1HG2 THR 42 -8.971 16.545 -5.073 271 2HG2 THR 42 2HG2 THR 42 -7.556 16.322 -6.130 272 3HG2 THR 42 3HG2 THR 42 -8.904 17.361 -6.654 273 H GLY 43 H GLY 43 -8.538 12.924 -3.635 274 1HA GLY 43 1HA GLY 43 -9.121 13.733 -1.478 275 2HA GLY 43 2HA GLY 43 -10.625 14.360 -2.123 276 H VAL 44 H VAL 44 -10.556 11.606 -3.805 277 HA VAL 44 HA VAL 44 -12.058 10.179 -1.752 278 HB VAL 44 HB VAL 44 -11.881 9.421 -4.650 279 1HG1 VAL 44 1HG1 VAL 44 -13.930 8.363 -4.306 280 2HG1 VAL 44 2HG1 VAL 44 -13.082 8.088 -2.764 281 3HG1 VAL 44 3HG1 VAL 44 -14.323 9.359 -2.884 282 1HG2 VAL 44 1HG2 VAL 44 -12.315 11.780 -4.780 283 2HG2 VAL 44 2HG2 VAL 44 -13.852 10.925 -5.062 284 3HG2 VAL 44 3HG2 VAL 44 -13.532 11.684 -3.484 285 H LEU 45 H LEU 45 -9.236 10.274 -1.385 286 HA LEU 45 HA LEU 45 -8.327 7.678 -2.355 287 1HB LEU 45 1HB LEU 45 -6.743 9.288 -2.792 288 2HB LEU 45 2HB LEU 45 -6.982 10.114 -1.242 289 HG LEU 45 HG LEU 45 -4.809 8.813 -1.607 290 1HD1 LEU 45 1HD1 LEU 45 -6.207 9.456 0.648 291 2HD1 LEU 45 2HD1 LEU 45 -5.953 7.709 0.868 292 3HD1 LEU 45 3HD1 LEU 45 -4.559 8.786 0.619 293 1HD2 LEU 45 1HD2 LEU 45 -4.768 6.471 -1.389 294 2HD2 LEU 45 2HD2 LEU 45 -6.477 6.399 -0.899 295 3HD2 LEU 45 3HD2 LEU 45 -6.049 6.810 -2.577 296 H ALA 46 H ALA 46 -9.302 6.107 -1.114 297 HA ALA 46 HA ALA 46 -9.453 6.508 1.751 298 1HB ALA 46 1HB ALA 46 -10.270 4.094 0.092 299 2HB ALA 46 2HB ALA 46 -10.824 4.533 1.726 300 3HB ALA 46 3HB ALA 46 -11.309 5.520 0.326 301 H CYS 47 H CYS 47 -7.661 6.130 2.954 302 HA CYS 47 HA CYS 47 -5.648 4.353 1.925 303 1HB CYS 47 1HB CYS 47 -5.843 6.426 3.988 304 2HB CYS 47 2HB CYS 47 -4.804 5.058 4.425 305 H ASN 48 H ASN 48 -4.739 2.611 3.450 306 HA ASN 48 HA ASN 48 -6.980 1.395 4.862 307 1HB ASN 48 1HB ASN 48 -5.917 0.249 2.769 308 2HB ASN 48 2HB ASN 48 -4.537 -0.104 3.819 309 1HD2 ASN 48 1HD2 ASN 48 -5.167 -2.318 3.246 310 2HD2 ASN 48 2HD2 ASN 48 -6.351 -3.140 4.206 311 HA PRO 49 HA PRO 49 -3.825 2.260 7.994 312 1HB PRO 49 1HB PRO 49 -5.543 2.949 10.004 313 2HB PRO 49 2HB PRO 49 -4.843 4.121 8.891 314 1HG PRO 49 1HG PRO 49 -7.558 2.969 8.970 315 2HG PRO 49 2HG PRO 49 -7.002 4.482 8.166 316 1HD PRO 49 1HD PRO 49 -7.643 1.961 6.968 317 2HD PRO 49 2HD PRO 49 -6.948 3.370 6.155 318 H ALA 50 H ALA 50 -4.558 -0.298 7.170 319 HA ALA 50 HA ALA 50 -4.519 -1.566 9.805 320 1HB ALA 50 1HB ALA 50 -6.062 -2.948 7.663 321 2HB ALA 50 2HB ALA 50 -6.360 -2.864 9.415 322 3HB ALA 50 3HB ALA 50 -6.821 -1.501 8.367 323 H ASP 51 H ASP 51 -2.878 -0.863 7.081 324 HA ASP 51 HA ASP 51 -2.119 -2.983 5.750 325 1HB ASP 51 1HB ASP 51 0.336 -2.045 6.092 326 2HB ASP 51 2HB ASP 51 -0.876 -1.075 5.242 327 HD2 ASP 51 HD2 ASP 51 -0.477 1.466 7.473 328 H PHE 52 H PHE 52 -0.979 -2.103 9.088 329 HA PHE 52 HA PHE 52 -0.164 -3.314 10.741 330 1HB PHE 52 1HB PHE 52 -1.826 -5.085 9.164 331 2HB PHE 52 2HB PHE 52 -0.402 -6.013 9.647 332 HD1 PHE 52 1HD PHE 52 -0.631 -7.227 11.583 333 HD2 PHE 52 2HD PHE 52 -2.793 -3.594 11.208 334 HE1 PHE 52 1HE PHE 52 -1.667 -7.611 13.837 335 HE2 PHE 52 2HE PHE 52 -3.828 -3.977 13.463 336 HZ PHE 52 HZ PHE 52 -3.253 -5.981 14.750 337 H SER 53 H SER 53 0.596 -5.179 7.706 338 HA SER 53 HA SER 53 2.890 -6.281 8.334 339 1HB SER 53 1HB SER 53 1.927 -4.940 5.834 340 2HB SER 53 2HB SER 53 3.617 -5.473 5.871 341 HG SER 53 HG SER 53 1.367 -6.945 5.460 342 H SER 54 H SER 54 5.229 -5.691 8.035 343 HA SER 54 HA SER 54 5.927 -2.981 7.806 344 1HB SER 54 1HB SER 54 6.734 -2.543 10.043 345 2HB SER 54 2HB SER 54 5.026 -3.006 10.160 346 HG SER 54 HG SER 54 7.335 -4.287 11.125 347 H VAL 55 H VAL 55 8.241 -2.750 7.561 348 HA VAL 55 HA VAL 55 9.887 -5.062 8.084 349 HB VAL 55 HB VAL 55 8.699 -5.287 5.796 350 1HG1 VAL 55 1HG1 VAL 55 9.134 -3.845 4.134 351 2HG1 VAL 55 2HG1 VAL 55 9.746 -2.754 5.401 352 3HG1 VAL 55 3HG1 VAL 55 10.873 -3.803 4.507 353 1HG2 VAL 55 1HG2 VAL 55 11.384 -5.918 6.702 354 2HG2 VAL 55 2HG2 VAL 55 10.251 -6.893 5.736 355 3HG2 VAL 55 3HG2 VAL 55 11.334 -5.730 4.933 356 H THR 56 H THR 56 12.039 -4.114 6.336 357 HA THR 56 HA THR 56 12.506 -1.399 7.310 358 HB THR 56 HB THR 56 14.126 -3.899 7.970 359 HG1 THR 56 1HG THR 56 13.820 -2.812 10.088 360 1HG2 THR 56 1HG2 THR 56 14.948 -0.959 8.236 361 2HG2 THR 56 2HG2 THR 56 15.813 -2.337 8.958 362 3HG2 THR 56 3HG2 THR 56 15.742 -2.159 7.189 363 H ALA 57 H ALA 57 14.687 -0.571 6.355 364 HA ALA 57 HA ALA 57 14.515 -1.168 3.518 365 1HB ALA 57 1HB ALA 57 16.447 0.859 4.182 366 2HB ALA 57 2HB ALA 57 14.881 1.040 3.357 367 3HB ALA 57 3HB ALA 57 14.969 1.142 5.132 368 H ASP 58 H ASP 58 16.833 -0.990 2.377 369 HA ASP 58 HA ASP 58 18.639 -2.659 3.941 370 1HB ASP 58 1HB ASP 58 19.268 -3.639 1.616 371 2HB ASP 58 2HB ASP 58 17.763 -4.194 2.367 372 HD2 ASP 58 HD2 ASP 58 16.475 -3.539 -0.767 373 H ALA 59 H ALA 59 20.641 -1.636 4.115 374 HA ALA 59 HA ALA 59 22.025 0.152 3.860 375 1HB ALA 59 1HB ALA 59 22.214 -1.650 1.438 376 2HB ALA 59 2HB ALA 59 23.325 -0.272 1.637 377 3HB ALA 59 3HB ALA 59 23.281 -1.565 2.860 378 H ASN 60 H ASN 60 21.341 -0.038 0.355 379 HA ASN 60 HA ASN 60 21.370 2.482 -0.256 380 1HB ASN 60 1HB ASN 60 19.994 0.146 -1.294 381 2HB ASN 60 2HB ASN 60 18.969 1.566 -1.545 382 1HD2 ASN 60 1HD2 ASN 60 20.507 -0.161 -3.396 383 2HD2 ASN 60 2HD2 ASN 60 21.535 0.889 -4.314 384 H GLY 61 H GLY 61 18.504 0.770 1.173 385 1HA GLY 61 1HA GLY 61 17.370 2.104 2.934 386 2HA GLY 61 2HA GLY 61 17.304 3.410 1.768 387 H SER 62 H SER 62 17.042 0.424 0.126 388 HA SER 62 HA SER 62 14.252 0.927 -0.285 389 1HB SER 62 1HB SER 62 14.941 0.300 -2.336 390 2HB SER 62 2HB SER 62 16.434 -0.419 -1.709 391 HG SER 62 HG SER 62 15.542 -2.357 -1.874 392 H ALA 63 H ALA 63 12.545 -0.396 0.414 393 HA ALA 63 HA ALA 63 13.140 -2.169 2.566 394 1HB ALA 63 1HB ALA 63 10.430 -2.067 1.306 395 2HB ALA 63 2HB ALA 63 10.896 -1.992 3.022 396 3HB ALA 63 3HB ALA 63 11.066 -0.552 1.990 397 H SER 64 H SER 64 12.110 -4.437 2.612 398 HA SER 64 HA SER 64 11.833 -5.684 0.076 399 1HB SER 64 1HB SER 64 14.266 -6.239 1.807 400 2HB SER 64 2HB SER 64 13.697 -7.376 0.572 401 HG SER 64 HG SER 64 13.806 -5.150 -0.759 402 H THR 65 H THR 65 9.991 -6.837 0.541 403 HA THR 65 HA THR 65 9.979 -9.001 2.259 404 HB THR 65 HB THR 65 9.970 -6.688 3.782 405 HG1 THR 65 1HG THR 65 10.180 -8.717 4.763 406 1HG2 THR 65 1HG2 THR 65 7.085 -7.649 3.405 407 2HG2 THR 65 2HG2 THR 65 7.640 -6.615 4.744 408 3HG2 THR 65 3HG2 THR 65 7.693 -6.010 3.071 409 H SER 66 H SER 66 7.647 -9.818 2.649 410 HA SER 66 HA SER 66 6.329 -9.426 0.133 411 1HB SER 66 1HB SER 66 6.136 -11.395 2.402 412 2HB SER 66 2HB SER 66 4.771 -11.259 1.280 413 HG SER 66 HG SER 66 6.054 -12.799 0.346 414 H LEU 67 H LEU 67 4.543 -8.129 -0.160 415 HA LEU 67 HA LEU 67 3.199 -7.203 2.283 416 1HB LEU 67 1HB LEU 67 4.095 -5.837 -0.186 417 2HB LEU 67 2HB LEU 67 2.554 -5.312 0.514 418 HG LEU 67 HG LEU 67 3.699 -4.826 2.635 419 1HD1 LEU 67 1HD1 LEU 67 5.518 -6.142 2.956 420 2HD1 LEU 67 2HD1 LEU 67 5.988 -6.113 1.239 421 3HD1 LEU 67 3HD1 LEU 67 6.347 -4.717 2.283 422 1HD2 LEU 67 1HD2 LEU 67 5.062 -2.891 1.830 423 2HD2 LEU 67 2HD2 LEU 67 4.869 -3.511 0.173 424 3HD2 LEU 67 3HD2 LEU 67 3.440 -3.004 1.105 425 H THR 68 H THR 68 1.032 -7.571 2.490 426 HA THR 68 HA THR 68 -0.188 -9.266 0.511 427 HB THR 68 HB THR 68 -0.493 -9.680 2.926 428 HG1 THR 68 1HG THR 68 -2.573 -10.163 2.340 429 1HG2 THR 68 1HG2 THR 68 -1.135 -8.076 4.448 430 2HG2 THR 68 2HG2 THR 68 -0.604 -6.908 3.212 431 3HG2 THR 68 3HG2 THR 68 -2.319 -7.371 3.322 432 H VAL 69 H VAL 69 -0.586 -8.239 -1.405 433 HA VAL 69 HA VAL 69 -1.545 -5.590 -1.520 434 HB VAL 69 HB VAL 69 -1.849 -7.702 -3.646 435 1HG1 VAL 69 1HG1 VAL 69 -2.594 -5.930 -4.791 436 2HG1 VAL 69 2HG1 VAL 69 -2.096 -4.801 -3.507 437 3HG1 VAL 69 3HG1 VAL 69 -0.926 -5.309 -4.749 438 1HG2 VAL 69 1HG2 VAL 69 0.591 -6.361 -4.069 439 2HG2 VAL 69 2HG2 VAL 69 0.599 -6.853 -2.358 440 3HG2 VAL 69 3HG2 VAL 69 0.352 -8.070 -3.634 441 H ARG 70 H ARG 70 -3.221 -6.039 0.283 442 HA ARG 70 HA ARG 70 -5.406 -7.614 -0.198 443 1HB ARG 70 1HB ARG 70 -5.366 -4.951 1.295 444 2HB ARG 70 2HB ARG 70 -6.524 -6.267 1.547 445 1HG ARG 70 1HG ARG 70 -5.084 -7.409 2.873 446 2HG ARG 70 2HG ARG 70 -3.713 -7.141 1.781 447 1HD ARG 70 1HD ARG 70 -4.672 -4.743 3.271 448 2HD ARG 70 2HD ARG 70 -3.943 -6.008 4.271 449 HE ARG 70 HE ARG 70 -2.496 -5.047 1.842 450 1HH1 ARG 70 1HH1 ARG 70 -2.691 -5.325 5.345 451 2HH1 ARG 70 2HH1 ARG 70 -1.050 -4.835 5.603 452 1HH2 ARG 70 1HH2 ARG 70 -0.331 -4.399 2.183 453 2HH2 ARG 70 2HH2 ARG 70 0.301 -4.304 3.793 454 H ARG 71 H ARG 71 -7.319 -7.352 -1.384 455 HA ARG 71 HA ARG 71 -7.344 -5.062 -3.121 456 1HB ARG 71 1HB ARG 71 -7.723 -7.101 -4.282 457 2HB ARG 71 2HB ARG 71 -8.839 -7.711 -3.049 458 1HG ARG 71 1HG ARG 71 -10.469 -5.940 -3.688 459 2HG ARG 71 2HG ARG 71 -9.359 -5.374 -4.949 460 1HD ARG 71 1HD ARG 71 -11.016 -6.818 -5.977 461 2HD ARG 71 2HD ARG 71 -9.476 -7.693 -5.976 462 HE ARG 71 HE ARG 71 -10.661 -8.482 -3.608 463 1HH1 ARG 71 1HH1 ARG 71 -11.746 -8.442 -6.955 464 2HH1 ARG 71 2HH1 ARG 71 -12.797 -9.806 -6.765 465 1HH2 ARG 71 1HH2 ARG 71 -12.046 -10.281 -3.356 466 2HH2 ARG 71 2HH2 ARG 71 -12.968 -10.859 -4.704 467 H SER 72 H SER 72 -10.076 -6.913 -1.598 468 HA SER 72 HA SER 72 -11.396 -4.395 -1.148 469 1HB SER 72 1HB SER 72 -12.488 -6.486 -2.161 470 2HB SER 72 2HB SER 72 -12.477 -7.169 -0.525 471 HG SER 72 HG SER 72 -13.868 -5.527 0.175 472 H PHE 73 H PHE 73 -11.722 -3.472 0.884 473 HA PHE 73 HA PHE 73 -11.683 -4.937 3.265 474 1HB PHE 73 1HB PHE 73 -9.479 -3.906 4.096 475 2HB PHE 73 2HB PHE 73 -9.264 -5.136 2.845 476 HD1 PHE 73 1HD PHE 73 -9.787 -1.442 3.099 477 HD2 PHE 73 2HD PHE 73 -7.785 -4.639 1.156 478 HE1 PHE 73 1HE PHE 73 -8.492 0.208 1.720 479 HE2 PHE 73 2HE PHE 73 -6.490 -2.990 -0.224 480 HZ PHE 73 HZ PHE 73 -6.859 -0.587 0.074 481 H GLU 74 H GLU 74 -10.664 -2.917 5.026 482 HA GLU 74 HA GLU 74 -12.683 -0.899 4.513 483 1HB GLU 74 1HB GLU 74 -11.172 -1.481 7.087 484 2HB GLU 74 2HB GLU 74 -12.598 -0.443 6.915 485 1HG GLU 74 1HG GLU 74 -14.023 -2.219 6.908 486 2HG GLU 74 2HG GLU 74 -12.975 -3.190 5.864 487 HE2 GLU 74 HE2 GLU 74 -12.019 -3.278 9.742 488 H GLY 75 H GLY 75 -12.198 1.346 4.512 489 1HA GLY 75 1HA GLY 75 -9.446 2.176 4.979 490 2HA GLY 75 2HA GLY 75 -10.029 2.321 3.333 491 H PHE 76 H PHE 76 -9.397 4.693 4.196 492 HA PHE 76 HA PHE 76 -11.939 5.977 4.621 493 1HB PHE 76 1HB PHE 76 -9.959 5.472 6.713 494 2HB PHE 76 2HB PHE 76 -10.036 7.213 6.418 495 HD1 PHE 76 1HD PHE 76 -12.043 4.248 7.351 496 HD2 PHE 76 2HD PHE 76 -11.864 8.485 7.210 497 HE1 PHE 76 1HE PHE 76 -14.100 4.382 8.782 498 HE2 PHE 76 2HE PHE 76 -13.921 8.619 8.642 499 HZ PHE 76 HZ PHE 76 -15.015 6.567 9.411 500 H LEU 77 H LEU 77 -11.977 8.104 3.807 501 HA LEU 77 HA LEU 77 -9.928 8.714 1.963 502 1HB LEU 77 1HB LEU 77 -12.516 9.825 2.822 503 2HB LEU 77 2HB LEU 77 -11.373 10.991 2.132 504 HG LEU 77 HG LEU 77 -11.266 9.732 0.072 505 1HD1 LEU 77 1HD1 LEU 77 -12.181 7.568 1.690 506 2HD1 LEU 77 2HD1 LEU 77 -13.344 7.809 0.364 507 3HD1 LEU 77 3HD1 LEU 77 -11.621 7.546 0.000 508 1HD2 LEU 77 1HD2 LEU 77 -12.970 11.235 -0.172 509 2HD2 LEU 77 2HD2 LEU 77 -13.861 9.716 -0.434 510 3HD2 LEU 77 3HD2 LEU 77 -13.937 10.532 1.147 511 H PHE 78 H PHE 78 -10.905 10.071 5.172 512 HA PHE 78 HA PHE 78 -9.651 11.050 6.722 513 1HB PHE 78 1HB PHE 78 -7.795 9.640 5.235 514 2HB PHE 78 2HB PHE 78 -7.219 11.287 4.953 515 HD1 PHE 78 1HD PHE 78 -6.254 12.575 6.760 516 HD2 PHE 78 2HD PHE 78 -7.711 8.648 7.446 517 HE1 PHE 78 1HE PHE 78 -5.057 12.515 8.967 518 HE2 PHE 78 2HE PHE 78 -6.514 8.589 9.652 519 HZ PHE 78 HZ PHE 78 -5.201 10.523 10.385 520 H ASP 79 H ASP 79 -10.846 12.288 4.059 521 HA ASP 79 HA ASP 79 -10.413 14.922 4.856 522 1HB ASP 79 1HB ASP 79 -8.272 14.190 3.471 523 2HB ASP 79 2HB ASP 79 -9.332 14.428 2.073 524 HD2 ASP 79 HD2 ASP 79 -9.217 17.878 2.407 525 H GLY 80 H GLY 80 -12.565 13.002 4.250 526 1HA GLY 80 1HA GLY 80 -14.191 14.624 2.555 527 2HA GLY 80 2HA GLY 80 -13.702 13.146 1.751 528 H THR 81 H THR 81 -13.823 11.096 3.391 529 HA THR 81 HA THR 81 -15.780 11.133 5.395 530 HB THR 81 HB THR 81 -16.841 11.289 2.744 531 HG1 THR 81 1HG THR 81 -18.741 11.253 4.084 532 1HG2 THR 81 1HG2 THR 81 -18.012 9.249 2.412 533 2HG2 THR 81 2HG2 THR 81 -16.391 8.681 2.877 534 3HG2 THR 81 3HG2 THR 81 -17.706 8.699 4.077 535 H ARG 82 H ARG 82 -16.657 8.680 5.652 536 HA ARG 82 HA ARG 82 -14.238 7.241 5.927 537 1HB ARG 82 1HB ARG 82 -15.655 5.538 7.026 538 2HB ARG 82 2HB ARG 82 -16.060 7.152 7.634 539 1HG ARG 82 1HG ARG 82 -17.731 6.826 5.413 540 2HG ARG 82 2HG ARG 82 -17.720 5.218 6.157 541 1HD ARG 82 1HD ARG 82 -18.010 6.782 8.377 542 2HD ARG 82 2HD ARG 82 -18.822 7.805 7.182 543 HE ARG 82 HE ARG 82 -20.559 6.243 7.096 544 1HH1 ARG 82 1HH1 ARG 82 -17.727 4.725 8.529 545 2HH1 ARG 82 2HH1 ARG 82 -18.563 3.265 8.946 546 1HH2 ARG 82 1HH2 ARG 82 -21.663 4.319 7.645 547 2HH2 ARG 82 2HH2 ARG 82 -20.816 3.033 8.440 548 H TRP 83 H TRP 83 -14.062 4.874 5.181 549 HA TRP 83 HA TRP 83 -15.658 4.201 2.868 550 1HB TRP 83 1HB TRP 83 -13.699 5.720 2.158 551 2HB TRP 83 2HB TRP 83 -12.681 4.316 2.482 552 HD1 TRP 83 HD TRP 83 -12.167 3.206 0.178 553 HE1 TRP 83 1HE TRP 83 -13.443 2.552 -2.037 554 HE3 TRP 83 3HE TRP 83 -16.634 5.219 1.535 555 HZ2 TRP 83 2HZ TRP 83 -16.117 2.942 -2.953 556 HZ3 TRP 83 3HZ TRP 83 -18.527 5.039 -0.078 557 HH2 TRP 83 HH TRP 83 -18.321 3.948 -2.256 558 H GLY 84 H GLY 84 -14.231 2.019 1.959 559 1HA GLY 84 1HA GLY 84 -12.897 0.202 2.912 560 2HA GLY 84 2HA GLY 84 -13.779 0.423 4.411 561 H THR 85 H THR 85 -14.201 -1.985 4.010 562 HA THR 85 HA THR 85 -15.407 -3.688 3.146 563 HB THR 85 HB THR 85 -16.823 -2.116 4.818 564 HG1 THR 85 1HG THR 85 -18.408 -3.864 4.569 565 1HG2 THR 85 1HG2 THR 85 -18.864 -2.378 2.640 566 2HG2 THR 85 2HG2 THR 85 -18.739 -1.157 3.928 567 3HG2 THR 85 3HG2 THR 85 -17.730 -1.016 2.469 568 H VAL 86 H VAL 86 -14.185 -2.217 1.045 569 HA VAL 86 HA VAL 86 -16.135 -2.820 -1.031 570 HB VAL 86 HB VAL 86 -16.034 -0.303 -0.317 571 1HG1 VAL 86 1HG1 VAL 86 -13.991 0.113 -2.387 572 2HG1 VAL 86 2HG1 VAL 86 -14.217 0.921 -0.817 573 3HG1 VAL 86 3HG1 VAL 86 -13.358 -0.636 -0.902 574 1HG2 VAL 86 1HG2 VAL 86 -16.636 -1.691 -2.719 575 2HG2 VAL 86 2HG2 VAL 86 -17.265 -0.121 -2.166 576 3HG2 VAL 86 3HG2 VAL 86 -15.803 -0.187 -3.180 577 H ASP 87 H ASP 87 -15.109 -3.263 -3.121 578 HA ASP 87 HA ASP 87 -12.604 -4.523 -2.701 579 1HB ASP 87 1HB ASP 87 -12.853 -5.058 -5.183 580 2HB ASP 87 2HB ASP 87 -14.159 -5.648 -4.145 581 HD2 ASP 87 HD2 ASP 87 -15.769 -2.547 -5.684 582 H CYS 88 H CYS 88 -10.948 -2.934 -2.449 583 HA CYS 88 HA CYS 88 -10.732 -0.505 -3.504 584 1HB CYS 88 1HB CYS 88 -8.513 -0.538 -3.014 585 2HB CYS 88 2HB CYS 88 -9.114 -1.867 -2.007 586 H THR 89 H THR 89 -10.392 -3.631 -5.173 587 HA THR 89 HA THR 89 -9.035 -2.995 -7.439 588 HB THR 89 HB THR 89 -10.043 -5.229 -6.710 589 HG1 THR 89 1HG THR 89 -10.694 -4.159 -9.367 590 1HG2 THR 89 1HG2 THR 89 -12.477 -3.937 -6.733 591 2HG2 THR 89 2HG2 THR 89 -12.451 -4.618 -8.378 592 3HG2 THR 89 3HG2 THR 89 -12.297 -5.692 -6.966 593 H THR 90 H THR 90 -12.152 -1.740 -6.411 594 HA THR 90 HA THR 90 -13.021 -0.922 -8.984 595 HB THR 90 HB THR 90 -13.817 -0.690 -6.134 596 HG1 THR 90 1HG THR 90 -14.803 -1.990 -7.889 597 1HG2 THR 90 1HG2 THR 90 -14.326 1.559 -8.132 598 2HG2 THR 90 2HG2 THR 90 -15.492 1.177 -6.843 599 3HG2 THR 90 3HG2 THR 90 -13.843 1.700 -6.425 600 H ALA 91 H ALA 91 -10.696 0.347 -6.666 601 HA ALA 91 HA ALA 91 -10.327 2.622 -8.484 602 1HB ALA 91 1HB ALA 91 -10.227 4.141 -6.726 603 2HB ALA 91 2HB ALA 91 -11.496 3.036 -6.149 604 3HB ALA 91 3HB ALA 91 -9.836 2.890 -5.524 605 H ALA 92 H ALA 92 -9.085 -0.064 -8.423 606 HA ALA 92 HA ALA 92 -7.085 -1.066 -7.928 607 1HB ALA 92 1HB ALA 92 -5.573 0.921 -9.396 608 2HB ALA 92 2HB ALA 92 -6.130 -0.684 -9.926 609 3HB ALA 92 3HB ALA 92 -7.190 0.733 -10.118 610 H CYS 93 H CYS 93 -6.859 -0.753 -5.624 611 HA CYS 93 HA CYS 93 -5.819 1.595 -4.537 612 1HB CYS 93 1HB CYS 93 -5.195 0.027 -2.616 613 2HB CYS 93 2HB CYS 93 -6.909 0.244 -3.017 614 H GLN 94 H GLN 94 -3.585 0.937 -3.010 615 HA GLN 94 HA GLN 94 -1.648 -0.214 -4.798 616 1HB GLN 94 1HB GLN 94 -0.131 1.832 -4.395 617 2HB GLN 94 2HB GLN 94 -1.437 2.018 -5.578 618 1HG GLN 94 1HG GLN 94 -2.047 2.700 -2.723 619 2HG GLN 94 2HG GLN 94 -0.985 3.812 -3.602 620 1HE2 GLN 94 1HE2 GLN 94 -1.875 5.304 -4.817 621 2HE2 GLN 94 2HE2 GLN 94 -3.516 5.358 -5.369 622 H VAL 95 H VAL 95 0.436 -0.677 -3.684 623 HA VAL 95 HA VAL 95 0.123 -0.623 -0.762 624 HB VAL 95 HB VAL 95 1.162 -2.840 -2.537 625 1HG1 VAL 95 1HG1 VAL 95 1.408 -2.363 0.419 626 2HG1 VAL 95 2HG1 VAL 95 1.224 -4.027 -0.189 627 3HG1 VAL 95 3HG1 VAL 95 2.593 -3.027 -0.731 628 1HG2 VAL 95 1HG2 VAL 95 -0.773 -3.840 -0.796 629 2HG2 VAL 95 2HG2 VAL 95 -1.421 -2.266 -1.313 630 3HG2 VAL 95 3HG2 VAL 95 -0.978 -3.490 -2.527 631 H GLY 96 H GLY 96 1.576 0.816 0.018 632 1HA GLY 96 1HA GLY 96 4.280 0.773 -1.178 633 2HA GLY 96 2HA GLY 96 3.455 2.264 -0.773 634 H LEU 97 H LEU 97 5.926 1.781 0.379 635 HA LEU 97 HA LEU 97 5.415 0.657 3.010 636 1HB LEU 97 1HB LEU 97 7.816 1.389 1.410 637 2HB LEU 97 2HB LEU 97 7.951 1.337 3.177 638 HG LEU 97 HG LEU 97 8.685 -0.743 2.065 639 1HD1 LEU 97 1HD1 LEU 97 8.152 -1.239 4.222 640 2HD1 LEU 97 2HD1 LEU 97 6.470 -0.679 4.060 641 3HD1 LEU 97 3HD1 LEU 97 6.950 -2.256 3.391 642 1HD2 LEU 97 1HD2 LEU 97 7.111 -2.230 0.983 643 2HD2 LEU 97 2HD2 LEU 97 5.784 -1.072 1.250 644 3HD2 LEU 97 3HD2 LEU 97 7.123 -0.655 0.153 645 H SER 98 H SER 98 5.934 1.885 4.976 646 HA SER 98 HA SER 98 5.836 4.756 4.538 647 1HB SER 98 1HB SER 98 3.760 3.080 5.716 648 2HB SER 98 2HB SER 98 4.322 4.295 6.877 649 HG SER 98 HG SER 98 2.520 4.962 5.433 650 H ASP 99 H ASP 99 7.101 5.950 6.009 651 HA ASP 99 HA ASP 99 8.625 4.287 7.836 652 1HB ASP 99 1HB ASP 99 9.665 6.939 7.746 653 2HB ASP 99 2HB ASP 99 10.382 5.478 7.048 654 HD2 ASP 99 HD2 ASP 99 10.126 7.082 4.038 655 H ALA 100 H ALA 100 9.436 5.820 9.850 656 HA ALA 100 HA ALA 100 6.978 6.744 11.081 657 1HB ALA 100 1HB ALA 100 9.652 6.739 12.451 658 2HB ALA 100 2HB ALA 100 8.045 6.327 13.092 659 3HB ALA 100 3HB ALA 100 8.904 5.178 12.040 660 H ALA 101 H ALA 101 7.969 8.323 8.864 661 HA ALA 101 HA ALA 101 8.023 10.849 10.159 662 1HB ALA 101 1HB ALA 101 10.233 11.216 10.297 663 2HB ALA 101 2HB ALA 101 10.548 9.572 9.690 664 3HB ALA 101 3HB ALA 101 10.393 10.928 8.548 665 H GLY 102 H GLY 102 8.632 8.863 7.212 666 1HA GLY 102 1HA GLY 102 7.839 10.990 5.433 667 2HA GLY 102 2HA GLY 102 8.232 9.332 5.021 668 H ASN 103 H ASN 103 6.497 7.723 6.332 669 HA ASN 103 HA ASN 103 4.516 6.865 5.915 670 1HB ASN 103 1HB ASN 103 4.370 8.468 8.029 671 2HB ASN 103 2HB ASN 103 3.285 9.418 7.003 672 1HD2 ASN 103 1HD2 ASN 103 1.314 9.048 7.695 673 2HD2 ASN 103 2HD2 ASN 103 0.577 7.504 7.970 674 H GLY 104 H GLY 104 1.923 8.284 5.552 675 1HA GLY 104 1HA GLY 104 0.692 9.422 4.021 676 2HA GLY 104 2HA GLY 104 2.159 10.037 3.285 677 HA PRO 105 HA PRO 105 0.440 6.776 0.573 678 1HB PRO 105 1HB PRO 105 -0.136 8.319 -1.606 679 2HB PRO 105 2HB PRO 105 -1.336 7.879 -0.394 680 1HG PRO 105 1HG PRO 105 0.087 10.428 -0.814 681 2HG PRO 105 2HG PRO 105 -1.445 10.132 0.082 682 1HD PRO 105 1HD PRO 105 1.169 10.631 1.139 683 2HD PRO 105 2HD PRO 105 -0.274 10.189 2.060 684 H GLU 106 H GLU 106 1.457 5.607 -1.075 685 HA GLU 106 HA GLU 106 4.095 6.718 -1.546 686 1HB GLU 106 1HB GLU 106 2.989 3.899 -1.801 687 2HB GLU 106 2HB GLU 106 4.643 4.343 -2.256 688 1HG GLU 106 1HG GLU 106 4.961 3.621 -0.067 689 2HG GLU 106 2HG GLU 106 4.712 5.351 0.205 690 HE2 GLU 106 HE2 GLU 106 1.298 3.480 0.801 691 H GLY 107 H GLY 107 2.067 4.420 -3.484 692 1HA GLY 107 1HA GLY 107 1.010 5.559 -5.497 693 2HA GLY 107 2HA GLY 107 2.643 6.084 -5.854 694 H VAL 108 H VAL 108 1.495 2.929 -4.487 695 HA VAL 108 HA VAL 108 2.827 1.632 -6.757 696 HB VAL 108 HB VAL 108 2.172 0.660 -3.970 697 1HG1 VAL 108 1HG1 VAL 108 2.085 -1.025 -5.970 698 2HG1 VAL 108 2HG1 VAL 108 3.858 -0.876 -5.932 699 3HG1 VAL 108 3HG1 VAL 108 2.982 -1.450 -4.493 700 1HG2 VAL 108 1HG2 VAL 108 4.027 2.106 -3.806 701 2HG2 VAL 108 2HG2 VAL 108 4.731 0.473 -3.891 702 3HG2 VAL 108 3HG2 VAL 108 4.731 1.518 -5.332 703 H ALA 109 H ALA 109 0.832 2.252 -8.028 704 HA ALA 109 HA ALA 109 -1.665 1.158 -7.326 705 1HB ALA 109 1HB ALA 109 -0.527 2.009 -10.020 706 2HB ALA 109 2HB ALA 109 -2.249 1.740 -9.659 707 3HB ALA 109 3HB ALA 109 -1.368 3.064 -8.860 708 H ILE 110 H ILE 110 -2.041 -0.989 -7.078 709 HA ILE 110 HA ILE 110 -0.689 -2.783 -8.970 710 HB ILE 110 HB ILE 110 -1.584 -3.161 -6.119 711 1HG1 ILE 110 1HG1 ILE 110 1.106 -3.883 -7.188 712 2HG1 ILE 110 2HG1 ILE 110 0.734 -2.168 -6.938 713 1HG2 ILE 110 1HG2 ILE 110 -2.248 -5.209 -6.846 714 2HG2 ILE 110 2HG2 ILE 110 -1.174 -5.184 -8.266 715 3HG2 ILE 110 3HG2 ILE 110 -0.510 -5.541 -6.653 716 1HD1 ILE 110 1HD1 ILE 110 1.257 -4.302 -4.971 717 2HD1 ILE 110 2HD1 ILE 110 1.345 -2.536 -4.777 718 3HD1 ILE 110 3HD1 ILE 110 -0.217 -3.373 -4.607 719 H SER 111 H SER 111 -1.932 -4.539 -9.887 720 HA SER 111 HA SER 111 -4.660 -3.716 -10.268 721 1HB SER 111 1HB SER 111 -2.674 -4.936 -11.866 722 2HB SER 111 2HB SER 111 -3.925 -6.174 -11.653 723 HG SER 111 HG SER 111 -4.429 -4.901 -13.486 724 H PHE 112 H PHE 112 -6.065 -4.394 -8.671 725 HA PHE 112 HA PHE 112 -5.617 -7.015 -7.490 726 1HB PHE 112 1HB PHE 112 -7.568 -4.703 -6.944 727 2HB PHE 112 2HB PHE 112 -7.412 -6.127 -5.911 728 HD1 PHE 112 1HD PHE 112 -5.894 -6.104 -4.147 729 HD2 PHE 112 2HD PHE 112 -5.469 -3.252 -7.261 730 HE1 PHE 112 1HE PHE 112 -4.104 -4.934 -2.832 731 HE2 PHE 112 2HE PHE 112 -3.679 -2.083 -5.946 732 HZ PHE 112 HZ PHE 112 -3.018 -2.939 -3.746 733 H ASN 113 H ASN 113 -6.821 -8.787 -8.013 734 HA ASN 113 HA ASN 113 -8.232 -10.028 -9.110 735 1HB ASN 113 1HB ASN 113 -9.752 -9.309 -7.326 736 2HB ASN 113 2HB ASN 113 -10.165 -7.830 -8.209 737 1HD2 ASN 113 1HD2 ASN 113 -11.881 -7.849 -9.453 738 2HD2 ASN 113 2HD2 ASN 113 -12.738 -9.239 -10.029 Start of MODEL 41 1 H ALA 1 H ALA 1 14.151 9.761 -2.868 2 HA ALA 1 HA ALA 1 14.527 11.821 -4.896 3 1HB ALA 1 1HB ALA 1 15.825 9.800 -6.114 4 2HB ALA 1 2HB ALA 1 16.665 11.010 -5.115 5 3HB ALA 1 3HB ALA 1 16.250 9.421 -4.428 6 H ALA 2 H ALA 2 13.660 8.409 -4.062 7 HA ALA 2 HA ALA 2 11.268 8.716 -5.670 8 1HB ALA 2 1HB ALA 2 11.691 6.919 -7.130 9 2HB ALA 2 2HB ALA 2 13.243 7.790 -7.094 10 3HB ALA 2 3HB ALA 2 13.033 6.303 -6.137 11 HA PRO 3 HA PRO 3 10.884 6.416 -1.756 12 1HB PRO 3 1HB PRO 3 9.169 8.109 -0.472 13 2HB PRO 3 2HB PRO 3 10.915 8.143 -0.233 14 1HG PRO 3 1HG PRO 3 9.179 9.947 -1.793 15 2HG PRO 3 2HG PRO 3 10.840 10.250 -1.166 16 1HD PRO 3 1HD PRO 3 10.030 9.670 -3.851 17 2HD PRO 3 2HD PRO 3 11.689 9.802 -3.255 18 H THR 4 H THR 4 9.846 4.639 -2.473 19 HA THR 4 HA THR 4 7.097 4.525 -2.165 20 HB THR 4 HB THR 4 6.960 4.226 -4.942 21 HG1 THR 4 1HG THR 4 8.578 5.541 -5.678 22 1HG2 THR 4 1HG2 THR 4 5.865 5.983 -2.945 23 2HG2 THR 4 2HG2 THR 4 6.452 7.006 -4.278 24 3HG2 THR 4 3HG2 THR 4 5.266 5.718 -4.600 25 H ALA 5 H ALA 5 6.284 2.414 -2.430 26 HA ALA 5 HA ALA 5 8.427 0.460 -2.669 27 1HB ALA 5 1HB ALA 5 5.643 -0.360 -2.003 28 2HB ALA 5 2HB ALA 5 7.184 -0.812 -1.237 29 3HB ALA 5 3HB ALA 5 6.425 0.752 -0.854 30 H THR 6 H THR 6 7.819 -1.660 -3.830 31 HA THR 6 HA THR 6 5.984 -1.258 -6.051 32 HB THR 6 HB THR 6 7.718 -1.660 -7.729 33 HG1 THR 6 1HG THR 6 9.260 -1.999 -5.259 34 1HG2 THR 6 1HG2 THR 6 9.062 0.216 -5.732 35 2HG2 THR 6 2HG2 THR 6 9.134 0.274 -7.510 36 3HG2 THR 6 3HG2 THR 6 7.631 0.720 -6.665 37 H VAL 7 H VAL 7 5.266 -3.198 -7.028 38 HA VAL 7 HA VAL 7 5.995 -5.569 -5.451 39 HB VAL 7 HB VAL 7 3.385 -4.503 -6.447 40 1HG1 VAL 7 1HG1 VAL 7 3.807 -7.439 -5.815 41 2HG1 VAL 7 2HG1 VAL 7 2.313 -6.644 -6.369 42 3HG1 VAL 7 3HG1 VAL 7 3.707 -6.785 -7.468 43 1HG2 VAL 7 1HG2 VAL 7 4.437 -5.693 -3.875 44 2HG2 VAL 7 2HG2 VAL 7 3.753 -4.075 -4.162 45 3HG2 VAL 7 3HG2 VAL 7 2.693 -5.505 -4.182 46 H THR 8 H THR 8 7.173 -7.006 -6.596 47 HA THR 8 HA THR 8 8.010 -6.893 -9.098 48 HB THR 8 HB THR 8 7.342 -9.107 -7.194 49 HG1 THR 8 1HG THR 8 9.389 -7.816 -7.479 50 1HG2 THR 8 1HG2 THR 8 7.943 -10.874 -8.754 51 2HG2 THR 8 2HG2 THR 8 6.591 -9.988 -9.497 52 3HG2 THR 8 3HG2 THR 8 8.257 -9.698 -10.052 53 HA PRO 9 HA PRO 9 4.225 -8.798 -11.065 54 1HB PRO 9 1HB PRO 9 2.129 -9.706 -9.568 55 2HB PRO 9 2HB PRO 9 3.443 -10.744 -10.116 56 1HG PRO 9 1HG PRO 9 2.923 -9.589 -7.451 57 2HG PRO 9 2HG PRO 9 3.956 -11.000 -7.882 58 1HD PRO 9 1HD PRO 9 4.770 -8.351 -7.164 59 2HD PRO 9 2HD PRO 9 5.816 -9.658 -7.734 60 H SER 10 H SER 10 1.927 -8.038 -8.576 61 HA SER 10 HA SER 10 0.590 -6.347 -8.291 62 1HB SER 10 1HB SER 10 2.205 -4.687 -8.170 63 2HB SER 10 2HB SER 10 2.773 -4.952 -9.828 64 HG SER 10 HG SER 10 1.633 -2.996 -9.799 65 H SER 11 H SER 11 -0.063 -8.300 -10.193 66 HA SER 11 HA SER 11 -1.967 -6.901 -11.702 67 1HB SER 11 1HB SER 11 -1.185 -7.726 -13.960 68 2HB SER 11 2HB SER 11 -0.185 -6.438 -13.263 69 HG SER 11 HG SER 11 1.102 -8.419 -12.388 70 H GLY 12 H GLY 12 -3.719 -8.260 -11.635 71 1HA GLY 12 1HA GLY 12 -4.949 -10.139 -11.573 72 2HA GLY 12 2HA GLY 12 -3.663 -10.941 -12.454 73 H LEU 13 H LEU 13 -3.660 -9.411 -9.161 74 HA LEU 13 HA LEU 13 -3.489 -12.017 -7.935 75 1HB LEU 13 1HB LEU 13 -1.360 -10.864 -6.721 76 2HB LEU 13 2HB LEU 13 -1.276 -12.092 -7.997 77 HG LEU 13 HG LEU 13 -1.470 -9.460 -9.162 78 1HD1 LEU 13 1HD1 LEU 13 0.048 -8.182 -8.123 79 2HD1 LEU 13 2HD1 LEU 13 -0.253 -9.240 -6.725 80 3HD1 LEU 13 3HD1 LEU 13 1.133 -9.555 -7.796 81 1HD2 LEU 13 1HD2 LEU 13 -0.601 -11.576 -10.193 82 2HD2 LEU 13 2HD2 LEU 13 0.453 -10.156 -10.393 83 3HD2 LEU 13 3HD2 LEU 13 0.855 -11.399 -9.184 84 H SER 14 H SER 14 -2.014 -9.468 -6.142 85 HA SER 14 HA SER 14 -2.674 -8.548 -4.265 86 1HB SER 14 1HB SER 14 -3.609 -7.125 -6.308 87 2HB SER 14 2HB SER 14 -5.181 -7.552 -5.610 88 HG SER 14 HG SER 14 -4.848 -6.138 -4.039 89 H ASP 15 H ASP 15 -5.713 -7.864 -3.825 90 HA ASP 15 HA ASP 15 -7.322 -8.675 -2.615 91 1HB ASP 15 1HB ASP 15 -7.578 -9.961 -4.857 92 2HB ASP 15 2HB ASP 15 -6.939 -11.364 -3.987 93 HD2 ASP 15 HD2 ASP 15 -10.365 -11.878 -3.575 94 H GLY 16 H GLY 16 -4.958 -8.735 -1.204 95 1HA GLY 16 1HA GLY 16 -4.261 -9.610 0.783 96 2HA GLY 16 2HA GLY 16 -5.320 -10.988 0.567 97 H THR 17 H THR 17 -3.299 -10.148 -2.175 98 HA THR 17 HA THR 17 -1.820 -12.617 -1.798 99 HB THR 17 HB THR 17 -2.263 -10.614 -4.051 100 HG1 THR 17 1HG THR 17 -3.838 -12.270 -3.819 101 1HG2 THR 17 1HG2 THR 17 0.041 -12.400 -3.674 102 2HG2 THR 17 2HG2 THR 17 -0.947 -12.909 -5.065 103 3HG2 THR 17 3HG2 THR 17 -0.283 -11.259 -5.001 104 H VAL 18 H VAL 18 -0.051 -12.637 -0.565 105 HA VAL 18 HA VAL 18 1.435 -10.184 -0.225 106 HB VAL 18 HB VAL 18 2.173 -12.871 0.891 107 1HG1 VAL 18 1HG1 VAL 18 3.483 -11.711 2.302 108 2HG1 VAL 18 2HG1 VAL 18 3.273 -10.361 1.161 109 3HG1 VAL 18 3HG1 VAL 18 2.234 -10.480 2.602 110 1HG2 VAL 18 1HG2 VAL 18 0.633 -11.948 2.879 111 2HG2 VAL 18 2HG2 VAL 18 -0.261 -11.257 1.503 112 3HG2 VAL 18 3HG2 VAL 18 0.006 -13.013 1.598 113 H VAL 19 H VAL 19 2.496 -9.692 -2.146 114 HA VAL 19 HA VAL 19 4.210 -11.814 -3.224 115 HB VAL 19 HB VAL 19 4.299 -10.011 -5.142 116 1HG1 VAL 19 1HG1 VAL 19 2.712 -11.267 -6.324 117 2HG1 VAL 19 2HG1 VAL 19 3.297 -12.393 -5.075 118 3HG1 VAL 19 3HG1 VAL 19 1.729 -11.574 -4.871 119 1HG2 VAL 19 1HG2 VAL 19 2.311 -8.693 -5.393 120 2HG2 VAL 19 2HG2 VAL 19 1.575 -9.420 -3.945 121 3HG2 VAL 19 3HG2 VAL 19 2.986 -8.347 -3.783 122 H LYS 20 H LYS 20 6.353 -10.933 -4.163 123 HA LYS 20 HA LYS 20 7.749 -9.721 -2.038 124 1HB LYS 20 1HB LYS 20 8.357 -10.771 -4.741 125 2HB LYS 20 2HB LYS 20 9.507 -9.599 -4.073 126 1HG LYS 20 1HG LYS 20 9.862 -10.968 -2.113 127 2HG LYS 20 2HG LYS 20 8.525 -12.048 -2.542 128 1HD LYS 20 1HD LYS 20 9.747 -13.113 -4.204 129 2HD LYS 20 2HD LYS 20 10.771 -11.701 -4.521 130 1HE LYS 20 1HE LYS 20 11.860 -12.082 -2.273 131 2HE LYS 20 2HE LYS 20 10.921 -13.575 -2.113 132 1HZ LYS 20 1HZ LYS 20 11.948 -14.240 -4.251 133 2HZ LYS 20 2HZ LYS 20 12.933 -12.941 -4.151 134 3HZ LYS 20 3HZ LYS 20 13.006 -14.110 -3.014 135 H VAL 21 H VAL 21 8.027 -7.615 -1.527 136 HA VAL 21 HA VAL 21 7.507 -5.670 -3.668 137 HB VAL 21 HB VAL 21 6.867 -5.159 -0.778 138 1HG1 VAL 21 1HG1 VAL 21 7.000 -3.332 -2.563 139 2HG1 VAL 21 2HG1 VAL 21 5.530 -4.055 -3.259 140 3HG1 VAL 21 3HG1 VAL 21 5.505 -3.408 -1.600 141 1HG2 VAL 21 1HG2 VAL 21 5.329 -6.800 -0.841 142 2HG2 VAL 21 2HG2 VAL 21 4.417 -5.703 -1.906 143 3HG2 VAL 21 3HG2 VAL 21 5.446 -6.974 -2.609 144 H ALA 22 H ALA 22 9.171 -4.290 -4.045 145 HA ALA 22 HA ALA 22 11.166 -4.029 -1.900 146 1HB ALA 22 1HB ALA 22 12.221 -5.411 -3.497 147 2HB ALA 22 2HB ALA 22 11.496 -4.536 -4.867 148 3HB ALA 22 3HB ALA 22 12.788 -3.774 -3.909 149 H GLY 23 H GLY 23 12.271 -1.950 -1.827 150 1HA GLY 23 1HA GLY 23 12.543 0.253 -2.679 151 2HA GLY 23 2HA GLY 23 10.937 0.177 -3.375 152 H ALA 24 H ALA 24 10.908 2.352 -2.101 153 HA ALA 24 HA ALA 24 9.103 2.629 -0.334 154 1HB ALA 24 1HB ALA 24 10.194 2.290 1.986 155 2HB ALA 24 2HB ALA 24 9.655 0.837 1.111 156 3HB ALA 24 3HB ALA 24 11.380 1.273 1.135 157 H GLY 25 H GLY 25 10.438 3.964 1.963 158 1HA GLY 25 1HA GLY 25 10.933 6.461 0.781 159 2HA GLY 25 2HA GLY 25 11.256 6.002 2.441 160 H LEU 26 H LEU 26 12.869 3.680 0.696 161 HA LEU 26 HA LEU 26 15.050 3.287 0.501 162 1HB LEU 26 1HB LEU 26 14.621 4.122 -1.651 163 2HB LEU 26 2HB LEU 26 14.689 5.808 -1.107 164 HG LEU 26 HG LEU 26 17.097 5.586 -0.722 165 1HD1 LEU 26 1HD1 LEU 26 17.616 3.128 -2.119 166 2HD1 LEU 26 2HD1 LEU 26 18.121 3.634 -0.489 167 3HD1 LEU 26 3HD1 LEU 26 16.558 2.818 -0.721 168 1HD2 LEU 26 1HD2 LEU 26 16.079 6.211 -2.977 169 2HD2 LEU 26 2HD2 LEU 26 17.784 5.700 -2.964 170 3HD2 LEU 26 3HD2 LEU 26 16.521 4.569 -3.504 171 H GLN 27 H GLN 27 15.074 3.720 2.956 172 HA GLN 27 HA GLN 27 16.352 6.184 3.657 173 1HB GLN 27 1HB GLN 27 14.678 5.272 5.160 174 2HB GLN 27 2HB GLN 27 15.556 3.740 5.297 175 1HG GLN 27 1HG GLN 27 16.438 4.693 7.169 176 2HG GLN 27 2HG GLN 27 17.506 5.535 6.036 177 1HE2 GLN 27 1HE2 GLN 27 15.524 5.900 8.607 178 2HE2 GLN 27 2HE2 GLN 27 15.047 7.557 8.445 179 H ALA 28 H ALA 28 17.393 3.348 5.428 180 HA ALA 28 HA ALA 28 19.496 2.357 4.089 181 1HB ALA 28 1HB ALA 28 20.921 4.060 3.713 182 2HB ALA 28 2HB ALA 28 19.968 5.168 4.729 183 3HB ALA 28 3HB ALA 28 21.195 4.113 5.471 184 H GLY 29 H GLY 29 18.197 0.932 5.656 185 1HA GLY 29 1HA GLY 29 18.548 -0.501 7.401 186 2HA GLY 29 2HA GLY 29 19.823 0.530 8.017 187 H THR 30 H THR 30 16.226 0.592 7.475 188 HA THR 30 HA THR 30 15.822 1.332 10.227 189 HB THR 30 HB THR 30 15.345 3.279 7.919 190 HG1 THR 30 1HG THR 30 16.605 4.560 9.546 191 1HG2 THR 30 1HG2 THR 30 13.328 3.345 9.357 192 2HG2 THR 30 2HG2 THR 30 14.348 3.370 10.815 193 3HG2 THR 30 3HG2 THR 30 14.348 4.760 9.704 194 H ALA 31 H ALA 31 13.432 1.520 10.723 195 HA ALA 31 HA ALA 31 12.155 -0.714 9.508 196 1HB ALA 31 1HB ALA 31 10.305 0.733 11.083 197 2HB ALA 31 2HB ALA 31 11.270 -0.681 11.574 198 3HB ALA 31 3HB ALA 31 11.889 0.963 11.863 199 H TYR 32 H TYR 32 10.066 -0.683 8.397 200 HA TYR 32 HA TYR 32 9.266 1.889 7.301 201 1HB TYR 32 1HB TYR 32 10.651 -0.420 5.953 202 2HB TYR 32 2HB TYR 32 9.247 0.202 5.079 203 HD1 TYR 32 1HD TYR 32 12.731 0.539 5.594 204 HD2 TYR 32 2HD TYR 32 9.218 2.821 4.727 205 HE1 TYR 32 1HE TYR 32 14.169 2.398 4.623 206 HE2 TYR 32 2HE TYR 32 10.666 4.672 3.759 207 HH TYR 32 HH TYR 32 13.017 5.465 4.073 208 H ASP 33 H ASP 33 7.441 1.365 8.781 209 HA ASP 33 HA ASP 33 5.960 -0.866 8.742 210 1HB ASP 33 1HB ASP 33 5.657 1.326 10.067 211 2HB ASP 33 2HB ASP 33 4.710 1.912 8.691 212 HD2 ASP 33 HD2 ASP 33 1.994 -0.083 9.552 213 H VAL 34 H VAL 34 4.630 -1.892 7.217 214 HA VAL 34 HA VAL 34 4.521 -0.848 4.585 215 HB VAL 34 HB VAL 34 3.216 -3.201 5.959 216 1HG1 VAL 34 1HG1 VAL 34 3.217 -2.463 3.013 217 2HG1 VAL 34 2HG1 VAL 34 2.717 -4.040 3.670 218 3HG1 VAL 34 3HG1 VAL 34 1.804 -2.571 4.090 219 1HG2 VAL 34 1HG2 VAL 34 5.686 -3.262 5.764 220 2HG2 VAL 34 2HG2 VAL 34 4.893 -4.527 4.795 221 3HG2 VAL 34 3HG2 VAL 34 5.534 -3.067 4.002 222 H GLY 35 H GLY 35 2.650 -0.172 3.378 223 1HA GLY 35 1HA GLY 35 0.411 0.738 5.087 224 2HA GLY 35 2HA GLY 35 1.142 1.753 3.859 225 H GLN 36 H GLN 36 -1.310 1.684 3.221 226 HA GLN 36 HA GLN 36 -1.518 0.358 0.853 227 1HB GLN 36 1HB GLN 36 -2.340 -1.283 3.171 228 2HB GLN 36 2HB GLN 36 -3.563 -1.186 1.891 229 1HG GLN 36 1HG GLN 36 -0.971 -1.564 0.683 230 2HG GLN 36 2HG GLN 36 -1.173 -2.775 1.957 231 1HE2 GLN 36 1HE2 GLN 36 -3.112 -1.172 -0.569 232 2HE2 GLN 36 2HE2 GLN 36 -3.883 -2.594 -1.189 233 H CYS 37 H CYS 37 -2.625 2.035 -0.075 234 HA CYS 37 HA CYS 37 -5.040 2.916 1.332 235 1HB CYS 37 1HB CYS 37 -3.377 4.611 -0.514 236 2HB CYS 37 2HB CYS 37 -4.722 5.129 0.519 237 H ALA 38 H ALA 38 -6.543 4.093 -0.467 238 HA ALA 38 HA ALA 38 -6.535 2.322 -2.817 239 1HB ALA 38 1HB ALA 38 -8.975 3.536 -1.475 240 2HB ALA 38 2HB ALA 38 -8.924 2.250 -2.704 241 3HB ALA 38 3HB ALA 38 -8.339 1.927 -1.055 242 H TRP 39 H TRP 39 -6.319 3.357 -4.740 243 HA TRP 39 HA TRP 39 -6.483 6.262 -4.705 244 1HB TRP 39 1HB TRP 39 -4.679 4.526 -5.794 245 2HB TRP 39 2HB TRP 39 -5.689 4.912 -7.188 246 HD1 TRP 39 HD TRP 39 -6.183 8.058 -6.233 247 HE1 TRP 39 1HE TRP 39 -4.283 9.856 -6.577 248 HE3 TRP 39 3HE TRP 39 -2.361 4.721 -6.584 249 HZ2 TRP 39 2HZ TRP 39 -1.458 9.686 -6.948 250 HZ3 TRP 39 3HZ TRP 39 -0.064 5.620 -6.937 251 HH2 TRP 39 HH TRP 39 0.418 8.009 -7.119 252 H VAL 40 H VAL 40 -8.622 6.903 -4.880 253 HA VAL 40 HA VAL 40 -10.377 5.414 -6.638 254 HB VAL 40 HB VAL 40 -10.837 7.825 -4.870 255 1HG1 VAL 40 1HG1 VAL 40 -12.867 8.008 -5.770 256 2HG1 VAL 40 2HG1 VAL 40 -12.445 6.741 -6.947 257 3HG1 VAL 40 3HG1 VAL 40 -13.209 6.300 -5.401 258 1HG2 VAL 40 1HG2 VAL 40 -12.006 5.190 -4.178 259 2HG2 VAL 40 2HG2 VAL 40 -10.240 5.323 -4.005 260 3HG2 VAL 40 3HG2 VAL 40 -11.307 6.449 -3.133 261 H ASP 41 H ASP 41 -11.131 8.761 -6.498 262 HA ASP 41 HA ASP 41 -10.485 8.954 -9.294 263 1HB ASP 41 1HB ASP 41 -12.601 9.828 -7.718 264 2HB ASP 41 2HB ASP 41 -11.674 11.318 -7.959 265 HD2 ASP 41 HD2 ASP 41 -13.708 11.507 -10.759 266 H THR 42 H THR 42 -8.275 8.954 -7.346 267 HA THR 42 HA THR 42 -6.364 10.041 -6.993 268 HB THR 42 HB THR 42 -7.549 11.377 -9.334 269 HG1 THR 42 1HG THR 42 -5.211 11.186 -9.833 270 1HG2 THR 42 1HG2 THR 42 -7.239 13.510 -8.260 271 2HG2 THR 42 2HG2 THR 42 -5.775 12.953 -7.414 272 3HG2 THR 42 3HG2 THR 42 -5.733 13.240 -9.169 273 H GLY 43 H GLY 43 -9.035 12.497 -7.107 274 1HA GLY 43 1HA GLY 43 -7.976 14.088 -5.045 275 2HA GLY 43 2HA GLY 43 -9.632 14.073 -5.619 276 H VAL 44 H VAL 44 -9.478 10.943 -4.994 277 HA VAL 44 HA VAL 44 -9.885 11.246 -2.100 278 HB VAL 44 HB VAL 44 -11.483 9.435 -3.905 279 1HG1 VAL 44 1HG1 VAL 44 -11.751 10.358 -1.034 280 2HG1 VAL 44 2HG1 VAL 44 -13.092 9.607 -1.933 281 3HG1 VAL 44 3HG1 VAL 44 -11.587 8.698 -1.654 282 1HG2 VAL 44 1HG2 VAL 44 -11.651 12.304 -3.700 283 2HG2 VAL 44 2HG2 VAL 44 -12.627 11.185 -4.680 284 3HG2 VAL 44 3HG2 VAL 44 -13.118 11.566 -3.012 285 H LEU 45 H LEU 45 -8.506 10.009 -0.946 286 HA LEU 45 HA LEU 45 -7.632 7.497 -2.178 287 1HB LEU 45 1HB LEU 45 -5.956 9.335 -2.427 288 2HB LEU 45 2HB LEU 45 -5.809 9.361 -0.661 289 HG LEU 45 HG LEU 45 -5.456 6.674 -1.439 290 1HD1 LEU 45 1HD1 LEU 45 -3.339 7.164 -2.935 291 2HD1 LEU 45 2HD1 LEU 45 -4.955 6.962 -3.654 292 3HD1 LEU 45 3HD1 LEU 45 -4.287 8.593 -3.412 293 1HD2 LEU 45 1HD2 LEU 45 -3.121 8.461 -0.871 294 2HD2 LEU 45 2HD2 LEU 45 -4.378 8.250 0.371 295 3HD2 LEU 45 3HD2 LEU 45 -3.498 6.834 -0.253 296 H ALA 46 H ALA 46 -8.633 5.979 -0.953 297 HA ALA 46 HA ALA 46 -9.073 6.504 1.854 298 1HB ALA 46 1HB ALA 46 -10.594 4.751 1.741 299 2HB ALA 46 2HB ALA 46 -10.624 5.328 0.057 300 3HB ALA 46 3HB ALA 46 -9.670 3.888 0.489 301 H CYS 47 H CYS 47 -7.138 6.444 2.982 302 HA CYS 47 HA CYS 47 -5.175 4.480 2.369 303 1HB CYS 47 1HB CYS 47 -5.420 6.833 4.036 304 2HB CYS 47 2HB CYS 47 -4.580 5.520 4.882 305 H ASN 48 H ASN 48 -4.494 2.743 3.873 306 HA ASN 48 HA ASN 48 -6.759 1.851 5.475 307 1HB ASN 48 1HB ASN 48 -5.938 0.452 3.452 308 2HB ASN 48 2HB ASN 48 -4.495 0.095 4.413 309 1HD2 ASN 48 1HD2 ASN 48 -5.205 -2.113 4.178 310 2HD2 ASN 48 2HD2 ASN 48 -6.378 -2.778 5.264 311 HA PRO 49 HA PRO 49 -3.474 2.638 8.467 312 1HB PRO 49 1HB PRO 49 -5.098 3.408 10.524 313 2HB PRO 49 2HB PRO 49 -4.417 4.540 9.356 314 1HG PRO 49 1HG PRO 49 -7.149 3.450 9.568 315 2HG PRO 49 2HG PRO 49 -6.595 4.931 8.707 316 1HD PRO 49 1HD PRO 49 -7.335 2.397 7.596 317 2HD PRO 49 2HD PRO 49 -6.642 3.771 6.722 318 H ALA 50 H ALA 50 -4.519 0.079 7.723 319 HA ALA 50 HA ALA 50 -4.266 -1.142 10.376 320 1HB ALA 50 1HB ALA 50 -6.260 -2.200 10.239 321 2HB ALA 50 2HB ALA 50 -6.668 -0.992 8.998 322 3HB ALA 50 3HB ALA 50 -6.036 -2.584 8.515 323 H ASP 51 H ASP 51 -2.850 -0.588 7.493 324 HA ASP 51 HA ASP 51 -2.346 -2.833 6.196 325 1HB ASP 51 1HB ASP 51 0.188 -1.902 6.281 326 2HB ASP 51 2HB ASP 51 -1.083 -1.107 5.339 327 HD2 ASP 51 HD2 ASP 51 -0.847 1.746 7.213 328 H PHE 52 H PHE 52 -0.851 -1.767 9.325 329 HA PHE 52 HA PHE 52 0.172 -2.868 10.937 330 1HB PHE 52 1HB PHE 52 -1.534 -4.865 9.531 331 2HB PHE 52 2HB PHE 52 -0.181 -5.617 10.384 332 HD1 PHE 52 1HD PHE 52 -0.022 -3.748 12.726 333 HD2 PHE 52 2HD PHE 52 -3.356 -5.552 10.819 334 HE1 PHE 52 1HE PHE 52 -1.321 -3.612 14.869 335 HE2 PHE 52 2HE PHE 52 -4.654 -5.416 12.963 336 HZ PHE 52 HZ PHE 52 -3.621 -4.448 14.962 337 H SER 53 H SER 53 0.514 -4.878 7.919 338 HA SER 53 HA SER 53 2.768 -6.108 8.266 339 1HB SER 53 1HB SER 53 1.734 -4.561 5.911 340 2HB SER 53 2HB SER 53 3.357 -5.265 5.790 341 HG SER 53 HG SER 53 1.067 -6.806 6.630 342 H SER 54 H SER 54 5.088 -5.718 8.065 343 HA SER 54 HA SER 54 5.867 -2.938 8.043 344 1HB SER 54 1HB SER 54 7.196 -3.119 10.068 345 2HB SER 54 2HB SER 54 5.521 -3.559 10.448 346 HG SER 54 HG SER 54 7.851 -5.060 10.630 347 H VAL 55 H VAL 55 8.024 -2.626 7.256 348 HA VAL 55 HA VAL 55 9.508 -5.068 6.636 349 HB VAL 55 HB VAL 55 7.989 -4.061 4.740 350 1HG1 VAL 55 1HG1 VAL 55 10.464 -2.307 4.565 351 2HG1 VAL 55 2HG1 VAL 55 9.187 -2.437 3.331 352 3HG1 VAL 55 3HG1 VAL 55 8.810 -1.760 4.933 353 1HG2 VAL 55 1HG2 VAL 55 10.830 -4.622 3.923 354 2HG2 VAL 55 2HG2 VAL 55 9.865 -5.888 4.720 355 3HG2 VAL 55 3HG2 VAL 55 9.307 -5.175 3.188 356 H THR 56 H THR 56 11.773 -4.214 5.598 357 HA THR 56 HA THR 56 12.627 -1.832 7.065 358 HB THR 56 HB THR 56 13.608 -4.691 7.419 359 HG1 THR 56 1HG THR 56 12.620 -4.130 9.315 360 1HG2 THR 56 1HG2 THR 56 15.583 -3.102 6.893 361 2HG2 THR 56 2HG2 THR 56 15.096 -2.184 8.338 362 3HG2 THR 56 3HG2 THR 56 15.621 -3.879 8.493 363 H ALA 57 H ALA 57 14.603 -0.882 6.266 364 HA ALA 57 HA ALA 57 14.735 -1.063 3.440 365 1HB ALA 57 1HB ALA 57 16.971 0.357 4.357 366 2HB ALA 57 2HB ALA 57 15.389 1.041 3.910 367 3HB ALA 57 3HB ALA 57 15.732 0.626 5.606 368 H ASP 58 H ASP 58 17.058 -1.231 2.384 369 HA ASP 58 HA ASP 58 18.445 -3.444 3.669 370 1HB ASP 58 1HB ASP 58 18.816 -4.402 1.376 371 2HB ASP 58 2HB ASP 58 17.119 -4.421 1.879 372 HD2 ASP 58 HD2 ASP 58 16.997 -3.250 -1.457 373 H ALA 59 H ALA 59 20.696 -3.109 3.707 374 HA ALA 59 HA ALA 59 22.174 -1.152 3.656 375 1HB ALA 59 1HB ALA 59 22.934 -3.543 3.174 376 2HB ALA 59 2HB ALA 59 22.846 -3.125 1.446 377 3HB ALA 59 3HB ALA 59 23.968 -2.252 2.517 378 H ASN 60 H ASN 60 20.653 0.571 2.837 379 HA ASN 60 HA ASN 60 21.658 2.026 0.910 380 1HB ASN 60 1HB ASN 60 21.409 0.417 -0.848 381 2HB ASN 60 2HB ASN 60 19.774 -0.026 -0.334 382 1HD2 ASN 60 1HD2 ASN 60 19.091 0.338 -2.477 383 2HD2 ASN 60 2HD2 ASN 60 18.786 1.931 -3.084 384 H GLY 61 H GLY 61 18.549 0.496 1.938 385 1HA GLY 61 1HA GLY 61 17.177 1.995 3.360 386 2HA GLY 61 2HA GLY 61 17.330 3.190 2.086 387 H SER 62 H SER 62 17.307 0.508 0.253 388 HA SER 62 HA SER 62 14.569 0.834 -0.380 389 1HB SER 62 1HB SER 62 16.219 0.447 -2.131 390 2HB SER 62 2HB SER 62 16.685 -1.105 -1.414 391 HG SER 62 HG SER 62 14.254 -1.603 -1.746 392 H ALA 63 H ALA 63 12.824 -0.491 0.156 393 HA ALA 63 HA ALA 63 13.298 -2.434 2.221 394 1HB ALA 63 1HB ALA 63 11.337 -0.650 1.816 395 2HB ALA 63 2HB ALA 63 10.614 -2.031 0.956 396 3HB ALA 63 3HB ALA 63 11.055 -2.185 2.673 397 H SER 64 H SER 64 12.171 -4.636 2.058 398 HA SER 64 HA SER 64 11.675 -5.658 -0.505 399 1HB SER 64 1HB SER 64 13.594 -7.353 -0.430 400 2HB SER 64 2HB SER 64 14.031 -5.695 -0.882 401 HG SER 64 HG SER 64 15.515 -6.030 0.658 402 H THR 65 H THR 65 9.967 -6.960 0.051 403 HA THR 65 HA THR 65 10.223 -9.248 1.563 404 HB THR 65 HB THR 65 10.368 -7.089 3.282 405 HG1 THR 65 1HG THR 65 9.827 -8.826 4.801 406 1HG2 THR 65 1HG2 THR 65 8.230 -6.967 4.481 407 2HG2 THR 65 2HG2 THR 65 7.929 -6.521 2.784 408 3HG2 THR 65 3HG2 THR 65 7.495 -8.146 3.369 409 H SER 66 H SER 66 7.941 -10.117 2.242 410 HA SER 66 HA SER 66 6.335 -9.659 -0.080 411 1HB SER 66 1HB SER 66 4.977 -11.555 0.832 412 2HB SER 66 2HB SER 66 6.692 -11.959 0.635 413 HG SER 66 HG SER 66 5.416 -12.479 2.755 414 H LEU 67 H LEU 67 4.556 -8.324 -0.147 415 HA LEU 67 HA LEU 67 3.423 -7.527 2.444 416 1HB LEU 67 1HB LEU 67 3.685 -5.863 -0.054 417 2HB LEU 67 2HB LEU 67 2.962 -5.349 1.480 418 HG LEU 67 HG LEU 67 5.860 -5.872 0.824 419 1HD1 LEU 67 1HD1 LEU 67 4.189 -3.505 1.520 420 2HD1 LEU 67 2HD1 LEU 67 5.866 -3.545 2.116 421 3HD1 LEU 67 3HD1 LEU 67 5.537 -3.668 0.370 422 1HD2 LEU 67 1HD2 LEU 67 5.867 -6.931 2.857 423 2HD2 LEU 67 2HD2 LEU 67 6.123 -5.246 3.369 424 3HD2 LEU 67 3HD2 LEU 67 4.505 -5.975 3.491 425 H THR 68 H THR 68 1.181 -7.551 2.650 426 HA THR 68 HA THR 68 -0.183 -9.084 0.601 427 HB THR 68 HB THR 68 -0.553 -9.814 2.864 428 HG1 THR 68 1HG THR 68 -2.679 -9.770 2.252 429 1HG2 THR 68 1HG2 THR 68 -1.830 -7.727 4.224 430 2HG2 THR 68 2HG2 THR 68 -0.168 -8.284 4.534 431 3HG2 THR 68 3HG2 THR 68 -0.457 -6.909 3.440 432 H VAL 69 H VAL 69 -1.065 -8.129 -1.115 433 HA VAL 69 HA VAL 69 -1.783 -5.331 -0.915 434 HB VAL 69 HB VAL 69 -2.172 -7.052 -3.336 435 1HG1 VAL 69 1HG1 VAL 69 -2.176 -5.100 -4.485 436 2HG1 VAL 69 2HG1 VAL 69 -2.590 -4.406 -2.899 437 3HG1 VAL 69 3HG1 VAL 69 -0.905 -4.374 -3.473 438 1HG2 VAL 69 1HG2 VAL 69 0.475 -6.159 -2.176 439 2HG2 VAL 69 2HG2 VAL 69 -0.008 -7.778 -2.738 440 3HG2 VAL 69 3HG2 VAL 69 0.258 -6.470 -3.915 441 H ARG 70 H ARG 70 -3.419 -6.236 0.848 442 HA ARG 70 HA ARG 70 -5.573 -7.701 0.214 443 1HB ARG 70 1HB ARG 70 -6.806 -6.175 1.913 444 2HB ARG 70 2HB ARG 70 -5.333 -6.980 2.481 445 1HG ARG 70 1HG ARG 70 -4.570 -4.501 1.258 446 2HG ARG 70 2HG ARG 70 -5.916 -4.156 2.358 447 1HD ARG 70 1HD ARG 70 -4.369 -4.152 4.013 448 2HD ARG 70 2HD ARG 70 -4.300 -5.912 3.828 449 HE ARG 70 HE ARG 70 -2.595 -4.855 1.857 450 1HH1 ARG 70 1HH1 ARG 70 -2.795 -4.788 5.369 451 2HH1 ARG 70 2HH1 ARG 70 -1.085 -4.627 5.591 452 1HH2 ARG 70 1HH2 ARG 70 -0.338 -4.642 2.149 453 2HH2 ARG 70 2HH2 ARG 70 0.322 -4.543 3.748 454 H ARG 71 H ARG 71 -7.363 -7.473 -1.120 455 HA ARG 71 HA ARG 71 -7.506 -5.045 -2.626 456 1HB ARG 71 1HB ARG 71 -7.745 -7.047 -3.915 457 2HB ARG 71 2HB ARG 71 -8.924 -7.738 -2.787 458 1HG ARG 71 1HG ARG 71 -9.987 -5.243 -3.652 459 2HG ARG 71 2HG ARG 71 -9.371 -6.047 -5.109 460 1HD ARG 71 1HD ARG 71 -11.122 -7.476 -3.073 461 2HD ARG 71 2HD ARG 71 -11.818 -6.555 -4.417 462 HE ARG 71 HE ARG 71 -9.774 -8.490 -5.236 463 1HH1 ARG 71 1HH1 ARG 71 -13.193 -8.026 -4.550 464 2HH1 ARG 71 2HH1 ARG 71 -13.701 -9.373 -5.514 465 1HH2 ARG 71 1HH2 ARG 71 -10.442 -10.267 -6.508 466 2HH2 ARG 71 2HH2 ARG 71 -12.125 -10.656 -6.634 467 H SER 72 H SER 72 -10.151 -7.141 -1.268 468 HA SER 72 HA SER 72 -11.796 -4.878 -0.908 469 1HB SER 72 1HB SER 72 -12.871 -6.930 -1.458 470 2HB SER 72 2HB SER 72 -12.045 -7.813 -0.161 471 HG SER 72 HG SER 72 -13.619 -5.611 0.652 472 H PHE 73 H PHE 73 -11.352 -3.408 0.704 473 HA PHE 73 HA PHE 73 -11.173 -4.423 3.402 474 1HB PHE 73 1HB PHE 73 -8.976 -3.688 3.764 475 2HB PHE 73 2HB PHE 73 -8.832 -4.037 2.037 476 HD1 PHE 73 1HD PHE 73 -9.300 -2.066 0.430 477 HD2 PHE 73 2HD PHE 73 -8.487 -1.572 4.565 478 HE1 PHE 73 1HE PHE 73 -8.645 0.321 0.016 479 HE2 PHE 73 2HE PHE 73 -7.832 0.816 4.152 480 HZ PHE 73 HZ PHE 73 -7.918 1.733 1.881 481 H GLU 74 H GLU 74 -10.375 -1.990 4.639 482 HA GLU 74 HA GLU 74 -12.453 -0.184 3.676 483 1HB GLU 74 1HB GLU 74 -12.865 0.405 6.088 484 2HB GLU 74 2HB GLU 74 -13.318 -1.256 5.668 485 1HG GLU 74 1HG GLU 74 -10.525 -1.096 6.506 486 2HG GLU 74 2HG GLU 74 -11.592 -0.424 7.750 487 HE2 GLU 74 HE2 GLU 74 -11.355 -4.259 7.470 488 H GLY 75 H GLY 75 -11.644 1.790 3.115 489 1HA GLY 75 1HA GLY 75 -9.154 2.664 4.457 490 2HA GLY 75 2HA GLY 75 -9.451 2.873 2.741 491 H PHE 76 H PHE 76 -8.965 4.929 4.871 492 HA PHE 76 HA PHE 76 -11.560 6.278 4.889 493 1HB PHE 76 1HB PHE 76 -10.526 7.584 6.698 494 2HB PHE 76 2HB PHE 76 -10.160 5.885 7.011 495 HD1 PHE 76 1HD PHE 76 -8.751 9.006 5.577 496 HD2 PHE 76 2HD PHE 76 -7.935 5.176 7.214 497 HE1 PHE 76 1HE PHE 76 -6.305 9.563 5.662 498 HE2 PHE 76 2HE PHE 76 -5.489 5.734 7.298 499 HZ PHE 76 HZ PHE 76 -4.703 7.921 6.521 500 H LEU 77 H LEU 77 -11.929 8.097 3.679 501 HA LEU 77 HA LEU 77 -10.438 8.769 1.539 502 1HB LEU 77 1HB LEU 77 -12.366 10.271 3.249 503 2HB LEU 77 2HB LEU 77 -11.533 11.116 1.933 504 HG LEU 77 HG LEU 77 -12.414 9.178 0.451 505 1HD1 LEU 77 1HD1 LEU 77 -14.747 8.474 1.433 506 2HD1 LEU 77 2HD1 LEU 77 -13.271 7.568 1.843 507 3HD1 LEU 77 3HD1 LEU 77 -13.936 8.753 2.994 508 1HD2 LEU 77 1HD2 LEU 77 -13.203 11.353 0.044 509 2HD2 LEU 77 2HD2 LEU 77 -14.666 10.362 0.258 510 3HD2 LEU 77 3HD2 LEU 77 -14.099 11.412 1.580 511 H PHE 78 H PHE 78 -10.394 10.688 4.631 512 HA PHE 78 HA PHE 78 -7.861 10.748 5.270 513 1HB PHE 78 1HB PHE 78 -6.907 11.277 3.178 514 2HB PHE 78 2HB PHE 78 -8.339 12.160 2.638 515 HD1 PHE 78 1HD PHE 78 -8.715 14.489 3.527 516 HD2 PHE 78 2HD PHE 78 -5.066 12.400 4.104 517 HE1 PHE 78 1HE PHE 78 -7.555 16.655 4.037 518 HE2 PHE 78 2HE PHE 78 -3.907 14.568 4.614 519 HZ PHE 78 HZ PHE 78 -5.165 16.668 4.575 520 H ASP 79 H ASP 79 -10.781 12.552 4.559 521 HA ASP 79 HA ASP 79 -10.002 14.715 6.279 522 1HB ASP 79 1HB ASP 79 -12.062 14.172 4.276 523 2HB ASP 79 2HB ASP 79 -12.777 14.880 5.732 524 HD2 ASP 79 HD2 ASP 79 -10.338 17.118 3.524 525 H GLY 80 H GLY 80 -12.940 12.558 6.037 526 1HA GLY 80 1HA GLY 80 -12.719 11.626 8.726 527 2HA GLY 80 2HA GLY 80 -13.910 12.905 8.586 528 H THR 81 H THR 81 -13.137 10.670 5.900 529 HA THR 81 HA THR 81 -15.634 9.220 6.423 530 HB THR 81 HB THR 81 -14.799 10.633 3.835 531 HG1 THR 81 1HG THR 81 -17.172 10.726 5.554 532 1HG2 THR 81 1HG2 THR 81 -15.910 8.561 3.176 533 2HG2 THR 81 2HG2 THR 81 -17.109 8.732 4.481 534 3HG2 THR 81 3HG2 THR 81 -17.131 9.855 3.100 535 H ARG 82 H ARG 82 -15.789 7.290 4.792 536 HA ARG 82 HA ARG 82 -13.305 6.320 3.889 537 1HB ARG 82 1HB ARG 82 -13.295 4.271 5.376 538 2HB ARG 82 2HB ARG 82 -12.930 5.775 6.240 539 1HG ARG 82 1HG ARG 82 -15.322 5.898 6.953 540 2HG ARG 82 2HG ARG 82 -15.635 4.354 6.140 541 1HD ARG 82 1HD ARG 82 -15.031 3.322 8.056 542 2HD ARG 82 2HD ARG 82 -13.374 3.889 7.788 543 HE ARG 82 HE ARG 82 -15.024 5.951 8.986 544 1HH1 ARG 82 1HH1 ARG 82 -13.235 3.014 9.729 545 2HH1 ARG 82 2HH1 ARG 82 -12.973 3.440 11.387 546 1HH2 ARG 82 1HH2 ARG 82 -14.679 6.514 11.174 547 2HH2 ARG 82 2HH2 ARG 82 -13.801 5.445 12.215 548 H TRP 83 H TRP 83 -13.591 4.370 2.575 549 HA TRP 83 HA TRP 83 -16.229 4.133 1.537 550 1HB TRP 83 1HB TRP 83 -13.766 2.478 0.981 551 2HB TRP 83 2HB TRP 83 -15.242 2.516 0.016 552 HD1 TRP 83 HD TRP 83 -12.368 4.950 1.039 553 HE1 TRP 83 1HE TRP 83 -11.963 6.752 -0.846 554 HE3 TRP 83 3HE TRP 83 -16.230 3.481 -1.924 555 HZ2 TRP 83 2HZ TRP 83 -13.275 7.346 -3.310 556 HZ3 TRP 83 3HZ TRP 83 -16.599 4.726 -4.052 557 HH2 TRP 83 HH TRP 83 -15.196 6.598 -4.761 558 H GLY 84 H GLY 84 -13.938 1.746 3.070 559 1HA GLY 84 1HA GLY 84 -14.383 0.189 4.677 560 2HA GLY 84 2HA GLY 84 -16.065 0.680 4.712 561 H THR 85 H THR 85 -14.552 -2.033 4.408 562 HA THR 85 HA THR 85 -14.521 -3.806 2.957 563 HB THR 85 HB THR 85 -16.645 -3.621 4.573 564 HG1 THR 85 1HG THR 85 -16.343 -5.314 2.192 565 1HG2 THR 85 1HG2 THR 85 -18.211 -4.204 2.118 566 2HG2 THR 85 2HG2 THR 85 -18.697 -3.310 3.578 567 3HG2 THR 85 3HG2 THR 85 -17.782 -2.486 2.292 568 H VAL 86 H VAL 86 -13.991 -1.539 1.393 569 HA VAL 86 HA VAL 86 -15.763 -1.861 -0.906 570 HB VAL 86 HB VAL 86 -15.057 0.383 0.159 571 1HG1 VAL 86 1HG1 VAL 86 -12.609 -0.044 -1.578 572 2HG1 VAL 86 2HG1 VAL 86 -12.977 1.339 -0.519 573 3HG1 VAL 86 3HG1 VAL 86 -12.606 -0.251 0.190 574 1HG2 VAL 86 1HG2 VAL 86 -15.412 -0.422 -2.643 575 2HG2 VAL 86 2HG2 VAL 86 -16.171 0.899 -1.722 576 3HG2 VAL 86 3HG2 VAL 86 -14.563 1.130 -2.452 577 H ASP 87 H ASP 87 -14.958 -2.468 -2.977 578 HA ASP 87 HA ASP 87 -12.799 -4.293 -2.779 579 1HB ASP 87 1HB ASP 87 -13.260 -4.357 -5.376 580 2HB ASP 87 2HB ASP 87 -14.449 -5.043 -4.260 581 HD2 ASP 87 HD2 ASP 87 -16.431 -3.093 -6.426 582 H CYS 88 H CYS 88 -10.659 -3.615 -2.963 583 HA CYS 88 HA CYS 88 -9.991 -1.041 -3.818 584 1HB CYS 88 1HB CYS 88 -8.514 -3.508 -3.079 585 2HB CYS 88 2HB CYS 88 -7.625 -2.245 -3.951 586 H THR 89 H THR 89 -10.139 -4.267 -5.388 587 HA THR 89 HA THR 89 -8.726 -3.796 -7.690 588 HB THR 89 HB THR 89 -9.670 -5.985 -7.018 589 HG1 THR 89 1HG THR 89 -10.935 -4.887 -9.427 590 1HG2 THR 89 1HG2 THR 89 -12.180 -6.294 -7.711 591 2HG2 THR 89 2HG2 THR 89 -11.851 -5.558 -6.123 592 3HG2 THR 89 3HG2 THR 89 -12.302 -4.530 -7.504 593 H THR 90 H THR 90 -11.767 -2.363 -6.663 594 HA THR 90 HA THR 90 -12.481 -1.527 -9.323 595 HB THR 90 HB THR 90 -13.579 -1.455 -6.548 596 HG1 THR 90 1HG THR 90 -15.414 -2.005 -7.900 597 1HG2 THR 90 1HG2 THR 90 -15.295 0.289 -7.326 598 2HG2 THR 90 2HG2 THR 90 -13.696 0.955 -6.914 599 3HG2 THR 90 3HG2 THR 90 -14.151 0.724 -8.619 600 H ALA 91 H ALA 91 -10.334 -0.428 -6.820 601 HA ALA 91 HA ALA 91 -9.961 2.032 -8.368 602 1HB ALA 91 1HB ALA 91 -9.363 2.616 -5.662 603 2HB ALA 91 2HB ALA 91 -10.712 3.248 -6.635 604 3HB ALA 91 3HB ALA 91 -10.936 1.783 -5.649 605 H ALA 92 H ALA 92 -8.658 -0.685 -8.314 606 HA ALA 92 HA ALA 92 -6.653 -1.629 -7.700 607 1HB ALA 92 1HB ALA 92 -6.701 0.209 -9.897 608 2HB ALA 92 2HB ALA 92 -5.094 0.303 -9.136 609 3HB ALA 92 3HB ALA 92 -5.719 -1.263 -9.707 610 H CYS 93 H CYS 93 -6.718 -1.113 -5.356 611 HA CYS 93 HA CYS 93 -5.712 1.238 -4.313 612 1HB CYS 93 1HB CYS 93 -5.897 -1.564 -3.260 613 2HB CYS 93 2HB CYS 93 -5.182 -0.264 -2.291 614 H GLN 94 H GLN 94 -3.545 1.113 -2.845 615 HA GLN 94 HA GLN 94 -1.486 -0.220 -4.402 616 1HB GLN 94 1HB GLN 94 -0.068 1.897 -4.039 617 2HB GLN 94 2HB GLN 94 -1.335 1.985 -5.275 618 1HG GLN 94 1HG GLN 94 -1.809 2.855 -2.405 619 2HG GLN 94 2HG GLN 94 -1.137 3.966 -3.608 620 1HE2 GLN 94 1HE2 GLN 94 -3.303 4.881 -2.637 621 2HE2 GLN 94 2HE2 GLN 94 -4.707 4.647 -3.625 622 H VAL 95 H VAL 95 0.596 -0.467 -3.170 623 HA VAL 95 HA VAL 95 0.183 -0.243 -0.277 624 HB VAL 95 HB VAL 95 -0.331 -2.516 -0.903 625 1HG1 VAL 95 1HG1 VAL 95 0.934 -3.887 -2.265 626 2HG1 VAL 95 2HG1 VAL 95 1.202 -2.304 -3.036 627 3HG1 VAL 95 3HG1 VAL 95 2.441 -2.990 -1.957 628 1HG2 VAL 95 1HG2 VAL 95 0.609 -2.798 1.128 629 2HG2 VAL 95 2HG2 VAL 95 1.942 -3.544 0.213 630 3HG2 VAL 95 3HG2 VAL 95 2.048 -1.837 0.710 631 H GLY 96 H GLY 96 1.645 1.277 0.333 632 1HA GLY 96 1HA GLY 96 4.360 1.058 -0.827 633 2HA GLY 96 2HA GLY 96 3.573 2.584 -0.473 634 H LEU 97 H LEU 97 6.069 2.007 0.659 635 HA LEU 97 HA LEU 97 5.564 1.019 3.336 636 1HB LEU 97 1HB LEU 97 7.961 1.683 1.695 637 2HB LEU 97 2HB LEU 97 8.106 1.650 3.462 638 HG LEU 97 HG LEU 97 8.754 -0.478 2.897 639 1HD1 LEU 97 1HD1 LEU 97 6.664 -0.390 4.411 640 2HD1 LEU 97 2HD1 LEU 97 5.805 -1.071 3.009 641 3HD1 LEU 97 3HD1 LEU 97 7.167 -1.958 3.736 642 1HD2 LEU 97 1HD2 LEU 97 7.915 0.026 0.424 643 2HD2 LEU 97 2HD2 LEU 97 8.297 -1.621 0.982 644 3HD2 LEU 97 3HD2 LEU 97 6.604 -1.072 0.919 645 H SER 98 H SER 98 5.990 2.286 5.257 646 HA SER 98 HA SER 98 6.235 5.123 4.819 647 1HB SER 98 1HB SER 98 3.845 4.907 4.774 648 2HB SER 98 2HB SER 98 3.839 3.817 6.170 649 HG SER 98 HG SER 98 5.083 6.198 6.791 650 H ASP 99 H ASP 99 7.672 5.921 6.317 651 HA ASP 99 HA ASP 99 8.231 4.195 8.576 652 1HB ASP 99 1HB ASP 99 10.009 6.423 8.508 653 2HB ASP 99 2HB ASP 99 10.378 4.739 8.103 654 HD2 ASP 99 HD2 ASP 99 11.189 5.936 5.001 655 H ALA 100 H ALA 100 9.031 5.661 10.616 656 HA ALA 100 HA ALA 100 6.800 7.427 11.180 657 1HB ALA 100 1HB ALA 100 8.968 6.844 13.163 658 2HB ALA 100 2HB ALA 100 7.205 6.930 13.391 659 3HB ALA 100 3HB ALA 100 7.937 5.488 12.646 660 H ALA 101 H ALA 101 8.660 8.350 9.173 661 HA ALA 101 HA ALA 101 9.231 10.893 10.260 662 1HB ALA 101 1HB ALA 101 11.641 9.161 9.581 663 2HB ALA 101 2HB ALA 101 11.659 10.855 10.127 664 3HB ALA 101 3HB ALA 101 11.124 9.568 11.235 665 H GLY 102 H GLY 102 9.811 8.392 7.739 666 1HA GLY 102 1HA GLY 102 10.255 10.335 5.663 667 2HA GLY 102 2HA GLY 102 10.093 8.598 5.495 668 H ASN 103 H ASN 103 7.632 7.928 6.437 669 HA ASN 103 HA ASN 103 5.618 7.728 5.581 670 1HB ASN 103 1HB ASN 103 4.151 9.321 6.479 671 2HB ASN 103 2HB ASN 103 5.614 9.670 7.412 672 1HD2 ASN 103 1HD2 ASN 103 6.992 11.390 6.705 673 2HD2 ASN 103 2HD2 ASN 103 6.346 12.760 5.863 674 H GLY 104 H GLY 104 3.848 9.677 4.326 675 1HA GLY 104 1HA GLY 104 4.153 11.303 2.465 676 2HA GLY 104 2HA GLY 104 5.278 10.148 1.779 677 HA PRO 105 HA PRO 105 1.350 8.997 -0.041 678 1HB PRO 105 1HB PRO 105 2.318 8.451 -2.536 679 2HB PRO 105 2HB PRO 105 1.696 10.032 -2.068 680 1HG PRO 105 1HG PRO 105 4.477 9.111 -2.404 681 2HG PRO 105 2HG PRO 105 3.846 10.798 -2.405 682 1HD PRO 105 1HD PRO 105 5.280 9.435 -0.334 683 2HD PRO 105 2HD PRO 105 4.539 11.037 -0.226 684 H GLU 106 H GLU 106 0.989 6.972 -1.778 685 HA GLU 106 HA GLU 106 1.550 4.814 -0.066 686 1HB GLU 106 1HB GLU 106 0.605 4.654 -2.948 687 2HB GLU 106 2HB GLU 106 0.309 3.482 -1.653 688 1HG GLU 106 1HG GLU 106 -1.697 4.597 -1.555 689 2HG GLU 106 2HG GLU 106 -0.778 5.680 -0.497 690 HE2 GLU 106 HE2 GLU 106 -1.217 8.279 -2.684 691 H GLY 107 H GLY 107 1.962 3.047 -2.654 692 1HA GLY 107 1HA GLY 107 4.854 3.567 -2.971 693 2HA GLY 107 2HA GLY 107 4.242 1.972 -2.579 694 H VAL 108 H VAL 108 2.099 1.482 -4.129 695 HA VAL 108 HA VAL 108 2.286 2.458 -6.765 696 HB VAL 108 HB VAL 108 4.348 1.243 -6.863 697 1HG1 VAL 108 1HG1 VAL 108 2.776 -0.901 -5.484 698 2HG1 VAL 108 2HG1 VAL 108 4.081 -1.385 -6.594 699 3HG1 VAL 108 3HG1 VAL 108 4.442 -0.338 -5.199 700 1HG2 VAL 108 1HG2 VAL 108 2.008 -0.009 -8.297 701 2HG2 VAL 108 2HG2 VAL 108 3.253 1.098 -8.923 702 3HG2 VAL 108 3HG2 VAL 108 3.668 -0.594 -8.561 703 H ALA 109 H ALA 109 0.576 1.595 -8.095 704 HA ALA 109 HA ALA 109 -1.511 0.401 -6.472 705 1HB ALA 109 1HB ALA 109 -2.468 0.839 -9.067 706 2HB ALA 109 2HB ALA 109 -2.657 1.927 -7.671 707 3HB ALA 109 3HB ALA 109 -1.303 2.159 -8.802 708 H ILE 110 H ILE 110 -1.753 -1.770 -6.386 709 HA ILE 110 HA ILE 110 -0.589 -3.334 -8.557 710 HB ILE 110 HB ILE 110 -1.267 -3.844 -5.691 711 1HG1 ILE 110 1HG1 ILE 110 1.107 -5.109 -6.624 712 2HG1 ILE 110 2HG1 ILE 110 1.095 -3.447 -7.242 713 1HG2 ILE 110 1HG2 ILE 110 -2.282 -5.765 -6.358 714 2HG2 ILE 110 2HG2 ILE 110 -1.409 -5.829 -7.907 715 3HG2 ILE 110 3HG2 ILE 110 -0.593 -6.323 -6.404 716 1HD1 ILE 110 1HD1 ILE 110 0.890 -4.391 -4.356 717 2HD1 ILE 110 2HD1 ILE 110 2.136 -3.350 -5.082 718 3HD1 ILE 110 3HD1 ILE 110 0.485 -2.728 -4.844 719 H SER 111 H SER 111 -1.797 -4.723 -9.855 720 HA SER 111 HA SER 111 -4.557 -4.045 -9.988 721 1HB SER 111 1HB SER 111 -2.569 -5.018 -11.761 722 2HB SER 111 2HB SER 111 -3.822 -6.271 -11.705 723 HG SER 111 HG SER 111 -3.901 -3.643 -12.738 724 H PHE 112 H PHE 112 -5.939 -4.979 -8.510 725 HA PHE 112 HA PHE 112 -5.346 -7.592 -7.470 726 1HB PHE 112 1HB PHE 112 -7.775 -5.732 -7.182 727 2HB PHE 112 2HB PHE 112 -7.371 -7.059 -6.090 728 HD1 PHE 112 1HD PHE 112 -7.725 -5.034 -4.466 729 HD2 PHE 112 2HD PHE 112 -4.424 -5.420 -7.103 730 HE1 PHE 112 1HE PHE 112 -6.404 -3.442 -3.045 731 HE2 PHE 112 2HE PHE 112 -3.102 -3.828 -5.682 732 HZ PHE 112 HZ PHE 112 -4.108 -2.858 -3.670 733 H ASN 113 H ASN 113 -6.006 -7.241 -10.414 734 HA ASN 113 HA ASN 113 -7.626 -9.488 -10.622 735 1HB ASN 113 1HB ASN 113 -9.328 -7.583 -10.080 736 2HB ASN 113 2HB ASN 113 -8.990 -6.986 -11.713 737 1HD2 ASN 113 1HD2 ASN 113 -11.487 -7.888 -10.730 738 2HD2 ASN 113 2HD2 ASN 113 -11.975 -9.286 -11.628 Start of MODEL 42 1 H ALA 1 H ALA 1 12.041 12.679 -9.527 2 HA ALA 1 HA ALA 1 10.501 10.626 -9.990 3 1HB ALA 1 1HB ALA 1 12.207 9.209 -8.701 4 2HB ALA 1 2HB ALA 1 12.865 10.330 -9.917 5 3HB ALA 1 3HB ALA 1 12.940 10.746 -8.188 6 H ALA 2 H ALA 2 11.560 11.067 -6.543 7 HA ALA 2 HA ALA 2 10.302 11.072 -4.674 8 1HB ALA 2 1HB ALA 2 8.358 11.690 -6.424 9 2HB ALA 2 2HB ALA 2 7.825 10.044 -6.004 10 3HB ALA 2 3HB ALA 2 8.012 11.272 -4.728 11 HA PRO 3 HA PRO 3 10.988 6.827 -4.036 12 1HB PRO 3 1HB PRO 3 10.828 6.808 -1.309 13 2HB PRO 3 2HB PRO 3 12.292 7.246 -2.186 14 1HG PRO 3 1HG PRO 3 10.320 8.957 -0.812 15 2HG PRO 3 2HG PRO 3 12.018 9.345 -1.270 16 1HD PRO 3 1HD PRO 3 9.593 10.214 -2.522 17 2HD PRO 3 2HD PRO 3 11.240 10.492 -3.104 18 H THR 4 H THR 4 10.009 4.821 -3.295 19 HA THR 4 HA THR 4 7.546 4.737 -2.070 20 HB THR 4 HB THR 4 6.407 4.211 -4.548 21 HG1 THR 4 1HG THR 4 7.515 5.487 -5.988 22 1HG2 THR 4 1HG2 THR 4 6.218 6.293 -2.520 23 2HG2 THR 4 2HG2 THR 4 6.106 7.030 -4.136 24 3HG2 THR 4 3HG2 THR 4 4.967 5.747 -3.661 25 H ALA 5 H ALA 5 6.449 2.582 -2.351 26 HA ALA 5 HA ALA 5 8.552 0.612 -2.847 27 1HB ALA 5 1HB ALA 5 6.039 -0.332 -1.665 28 2HB ALA 5 2HB ALA 5 7.706 -0.468 -1.056 29 3HB ALA 5 3HB ALA 5 6.762 1.009 -0.746 30 H THR 6 H THR 6 7.934 -1.435 -3.958 31 HA THR 6 HA THR 6 5.612 -1.173 -5.713 32 HB THR 6 HB THR 6 7.068 -1.689 -7.686 33 HG1 THR 6 1HG THR 6 9.032 -2.480 -7.046 34 1HG2 THR 6 1HG2 THR 6 8.631 0.555 -6.491 35 2HG2 THR 6 2HG2 THR 6 7.725 0.500 -8.023 36 3HG2 THR 6 3HG2 THR 6 6.868 0.801 -6.492 37 H VAL 7 H VAL 7 4.920 -3.194 -6.668 38 HA VAL 7 HA VAL 7 5.945 -5.479 -5.128 39 HB VAL 7 HB VAL 7 3.154 -5.193 -6.225 40 1HG1 VAL 7 1HG1 VAL 7 4.568 -7.319 -5.043 41 2HG1 VAL 7 2HG1 VAL 7 3.460 -6.722 -3.784 42 3HG1 VAL 7 3HG1 VAL 7 2.820 -7.226 -5.367 43 1HG2 VAL 7 1HG2 VAL 7 4.355 -3.856 -3.893 44 2HG2 VAL 7 2HG2 VAL 7 2.840 -3.514 -4.761 45 3HG2 VAL 7 3HG2 VAL 7 2.886 -4.788 -3.520 46 H THR 8 H THR 8 6.534 -7.317 -6.253 47 HA THR 8 HA THR 8 7.453 -7.246 -8.754 48 HB THR 8 HB THR 8 6.473 -9.322 -6.872 49 HG1 THR 8 1HG THR 8 8.713 -8.451 -7.436 50 1HG2 THR 8 1HG2 THR 8 5.322 -10.014 -9.061 51 2HG2 THR 8 2HG2 THR 8 6.938 -10.053 -9.806 52 3HG2 THR 8 3HG2 THR 8 6.547 -11.163 -8.470 53 HA PRO 9 HA PRO 9 3.335 -8.325 -10.717 54 1HB PRO 9 1HB PRO 9 1.073 -8.585 -9.207 55 2HB PRO 9 2HB PRO 9 2.077 -9.953 -9.682 56 1HG PRO 9 1HG PRO 9 1.869 -8.564 -7.087 57 2HG PRO 9 2HG PRO 9 2.505 -10.214 -7.431 58 1HD PRO 9 1HD PRO 9 3.972 -7.829 -6.835 59 2HD PRO 9 2HD PRO 9 4.647 -9.388 -7.323 60 H SER 10 H SER 10 0.995 -7.283 -11.143 61 HA SER 10 HA SER 10 1.146 -4.587 -10.100 62 1HB SER 10 1HB SER 10 1.144 -3.531 -12.195 63 2HB SER 10 2HB SER 10 2.314 -4.844 -12.416 64 HG SER 10 HG SER 10 0.415 -4.388 -14.049 65 H SER 11 H SER 11 -0.564 -7.380 -11.322 66 HA SER 11 HA SER 11 -2.944 -6.577 -10.164 67 1HB SER 11 1HB SER 11 -4.363 -6.326 -12.194 68 2HB SER 11 2HB SER 11 -3.175 -5.019 -12.037 69 HG SER 11 HG SER 11 -3.527 -6.832 -14.073 70 H GLY 12 H GLY 12 -4.834 -8.163 -11.066 71 1HA GLY 12 1HA GLY 12 -5.516 -10.262 -11.532 72 2HA GLY 12 2HA GLY 12 -3.997 -10.554 -12.358 73 H LEU 13 H LEU 13 -3.976 -9.376 -9.010 74 HA LEU 13 HA LEU 13 -2.666 -11.823 -8.215 75 1HB LEU 13 1HB LEU 13 -3.271 -9.430 -6.507 76 2HB LEU 13 2HB LEU 13 -2.010 -10.654 -6.282 77 HG LEU 13 HG LEU 13 -2.105 -8.300 -8.139 78 1HD1 LEU 13 1HD1 LEU 13 0.165 -9.417 -6.480 79 2HD1 LEU 13 2HD1 LEU 13 0.058 -7.820 -7.257 80 3HD1 LEU 13 3HD1 LEU 13 -1.006 -8.216 -5.886 81 1HD2 LEU 13 1HD2 LEU 13 -0.718 -9.155 -9.727 82 2HD2 LEU 13 2HD2 LEU 13 0.012 -10.342 -8.619 83 3HD2 LEU 13 3HD2 LEU 13 -1.603 -10.641 -9.305 84 H SER 14 H SER 14 -3.651 -11.438 -5.369 85 HA SER 14 HA SER 14 -6.433 -12.074 -5.607 86 1HB SER 14 1HB SER 14 -4.988 -14.218 -5.979 87 2HB SER 14 2HB SER 14 -4.680 -14.131 -4.236 88 HG SER 14 HG SER 14 -7.346 -14.061 -5.342 89 H ASP 15 H ASP 15 -7.549 -11.690 -3.631 90 HA ASP 15 HA ASP 15 -6.626 -9.875 -1.947 91 1HB ASP 15 1HB ASP 15 -8.946 -10.832 -2.018 92 2HB ASP 15 2HB ASP 15 -8.371 -12.243 -1.119 93 HD2 ASP 15 HD2 ASP 15 -9.815 -10.099 1.329 94 H GLY 16 H GLY 16 -4.859 -9.833 -0.550 95 1HA GLY 16 1HA GLY 16 -3.575 -10.523 1.216 96 2HA GLY 16 2HA GLY 16 -4.329 -12.105 1.173 97 H THR 17 H THR 17 -2.976 -10.500 -1.729 98 HA THR 17 HA THR 17 -1.277 -12.770 -2.189 99 HB THR 17 HB THR 17 -2.173 -10.275 -3.627 100 HG1 THR 17 1HG THR 17 -3.092 -12.537 -3.706 101 1HG2 THR 17 1HG2 THR 17 -0.111 -9.996 -4.611 102 2HG2 THR 17 2HG2 THR 17 0.510 -11.515 -3.921 103 3HG2 THR 17 3HG2 THR 17 -0.451 -11.545 -5.419 104 H VAL 18 H VAL 18 0.329 -12.950 -0.666 105 HA VAL 18 HA VAL 18 1.902 -10.594 -0.068 106 HB VAL 18 HB VAL 18 2.453 -13.389 0.884 107 1HG1 VAL 18 1HG1 VAL 18 3.404 -10.740 1.495 108 2HG1 VAL 18 2HG1 VAL 18 2.636 -11.443 2.938 109 3HG1 VAL 18 3HG1 VAL 18 3.961 -12.310 2.122 110 1HG2 VAL 18 1HG2 VAL 18 0.424 -13.570 1.797 111 2HG2 VAL 18 2HG2 VAL 18 0.817 -12.166 2.818 112 3HG2 VAL 18 3HG2 VAL 18 -0.022 -11.931 1.265 113 H VAL 19 H VAL 19 2.845 -10.130 -2.129 114 HA VAL 19 HA VAL 19 4.736 -12.190 -3.034 115 HB VAL 19 HB VAL 19 4.665 -10.750 -5.162 116 1HG1 VAL 19 1HG1 VAL 19 3.063 -12.918 -4.221 117 2HG1 VAL 19 2HG1 VAL 19 2.036 -11.870 -5.228 118 3HG1 VAL 19 3HG1 VAL 19 3.549 -12.535 -5.890 119 1HG2 VAL 19 1HG2 VAL 19 3.110 -9.130 -5.450 120 2HG2 VAL 19 2HG2 VAL 19 1.889 -9.973 -4.468 121 3HG2 VAL 19 3HG2 VAL 19 3.176 -9.035 -3.674 122 H LYS 20 H LYS 20 6.823 -11.282 -3.954 123 HA LYS 20 HA LYS 20 8.134 -9.808 -2.032 124 1HB LYS 20 1HB LYS 20 8.684 -10.863 -4.710 125 2HB LYS 20 2HB LYS 20 9.638 -9.424 -4.305 126 1HG LYS 20 1HG LYS 20 10.481 -10.478 -2.292 127 2HG LYS 20 2HG LYS 20 9.370 -11.847 -2.468 128 1HD LYS 20 1HD LYS 20 10.756 -12.900 -3.918 129 2HD LYS 20 2HD LYS 20 11.036 -11.426 -4.863 130 1HE LYS 20 1HE LYS 20 13.052 -11.144 -3.891 131 2HE LYS 20 2HE LYS 20 12.339 -11.200 -2.272 132 1HZ LYS 20 1HZ LYS 20 13.171 -13.491 -3.911 133 2HZ LYS 20 2HZ LYS 20 13.874 -12.969 -2.533 134 3HZ LYS 20 3HZ LYS 20 12.380 -13.628 -2.490 135 H VAL 21 H VAL 21 8.623 -7.641 -1.718 136 HA VAL 21 HA VAL 21 7.634 -5.760 -3.710 137 HB VAL 21 HB VAL 21 6.749 -5.918 -0.831 138 1HG1 VAL 21 1HG1 VAL 21 5.634 -3.648 -2.215 139 2HG1 VAL 21 2HG1 VAL 21 6.546 -3.703 -0.687 140 3HG1 VAL 21 3HG1 VAL 21 7.411 -3.552 -2.235 141 1HG2 VAL 21 1HG2 VAL 21 4.982 -6.905 -1.785 142 2HG2 VAL 21 2HG2 VAL 21 4.588 -5.318 -2.489 143 3HG2 VAL 21 3HG2 VAL 21 5.544 -6.494 -3.423 144 H ALA 22 H ALA 22 9.232 -4.332 -4.137 145 HA ALA 22 HA ALA 22 11.138 -3.800 -1.961 146 1HB ALA 22 1HB ALA 22 12.008 -5.268 -3.830 147 2HB ALA 22 2HB ALA 22 11.755 -3.898 -4.938 148 3HB ALA 22 3HB ALA 22 12.912 -3.754 -3.593 149 H GLY 23 H GLY 23 11.984 -1.625 -1.870 150 1HA GLY 23 1HA GLY 23 12.078 0.573 -2.812 151 2HA GLY 23 2HA GLY 23 10.492 0.324 -3.514 152 H ALA 24 H ALA 24 10.725 2.602 -2.088 153 HA ALA 24 HA ALA 24 8.718 2.710 -0.371 154 1HB ALA 24 1HB ALA 24 9.996 2.599 1.917 155 2HB ALA 24 2HB ALA 24 9.430 1.091 1.160 156 3HB ALA 24 3HB ALA 24 11.139 1.567 1.024 157 H GLY 25 H GLY 25 9.950 4.263 1.834 158 1HA GLY 25 1HA GLY 25 10.188 6.745 0.522 159 2HA GLY 25 2HA GLY 25 10.524 6.405 2.207 160 H LEU 26 H LEU 26 12.373 4.180 0.537 161 HA LEU 26 HA LEU 26 14.559 3.976 0.259 162 1HB LEU 26 1HB LEU 26 14.090 5.000 -1.810 163 2HB LEU 26 2HB LEU 26 14.079 6.624 -1.099 164 HG LEU 26 HG LEU 26 16.579 6.059 -0.524 165 1HD1 LEU 26 1HD1 LEU 26 16.156 4.249 -2.916 166 2HD1 LEU 26 2HD1 LEU 26 17.685 4.584 -2.068 167 3HD1 LEU 26 3HD1 LEU 26 16.388 3.685 -1.244 168 1HD2 LEU 26 1HD2 LEU 26 16.806 6.597 -3.273 169 2HD2 LEU 26 2HD2 LEU 26 15.252 7.302 -2.765 170 3HD2 LEU 26 3HD2 LEU 26 16.754 7.765 -1.931 171 H GLN 27 H GLN 27 14.492 4.179 2.749 172 HA GLN 27 HA GLN 27 15.721 6.633 3.640 173 1HB GLN 27 1HB GLN 27 14.522 4.228 5.029 174 2HB GLN 27 2HB GLN 27 15.498 5.398 5.931 175 1HG GLN 27 1HG GLN 27 13.430 6.597 4.173 176 2HG GLN 27 2HG GLN 27 12.778 5.608 5.487 177 1HE2 GLN 27 1HE2 GLN 27 12.182 8.191 5.507 178 2HE2 GLN 27 2HE2 GLN 27 13.047 9.067 6.726 179 H ALA 28 H ALA 28 16.463 3.612 5.306 180 HA ALA 28 HA ALA 28 18.771 2.845 4.000 181 1HB ALA 28 1HB ALA 28 20.348 3.898 5.871 182 2HB ALA 28 2HB ALA 28 19.964 4.790 4.379 183 3HB ALA 28 3HB ALA 28 19.092 5.159 5.886 184 H GLY 29 H GLY 29 18.084 0.784 4.594 185 1HA GLY 29 1HA GLY 29 17.487 -0.924 5.971 186 2HA GLY 29 2HA GLY 29 18.981 -0.475 6.769 187 H THR 30 H THR 30 15.924 1.444 6.590 188 HA THR 30 HA THR 30 15.799 1.268 9.527 189 HB THR 30 HB THR 30 16.202 3.506 8.060 190 HG1 THR 30 1HG THR 30 15.861 4.125 10.155 191 1HG2 THR 30 1HG2 THR 30 14.037 4.718 7.850 192 2HG2 THR 30 2HG2 THR 30 14.049 3.295 6.782 193 3HG2 THR 30 3HG2 THR 30 13.160 3.244 8.322 194 H ALA 31 H ALA 31 13.646 1.278 10.519 195 HA ALA 31 HA ALA 31 12.070 -0.754 9.555 196 1HB ALA 31 1HB ALA 31 12.225 0.657 11.852 197 2HB ALA 31 2HB ALA 31 10.767 1.405 11.158 198 3HB ALA 31 3HB ALA 31 10.820 -0.352 11.435 199 H TYR 32 H TYR 32 10.046 -0.841 8.445 200 HA TYR 32 HA TYR 32 9.055 1.617 7.278 201 1HB TYR 32 1HB TYR 32 10.685 -0.527 5.962 202 2HB TYR 32 2HB TYR 32 9.191 -0.154 5.096 203 HD1 TYR 32 1HD TYR 32 12.587 0.630 5.362 204 HD2 TYR 32 2HD TYR 32 8.779 2.498 4.803 205 HE1 TYR 32 1HE TYR 32 13.721 2.637 4.289 206 HE2 TYR 32 2HE TYR 32 9.925 4.498 3.733 207 HH TYR 32 HH TYR 32 12.660 4.524 2.434 208 H ASP 33 H ASP 33 7.237 1.032 8.685 209 HA ASP 33 HA ASP 33 5.982 -1.401 8.585 210 1HB ASP 33 1HB ASP 33 5.626 0.780 10.052 211 2HB ASP 33 2HB ASP 33 4.394 1.164 8.840 212 HD2 ASP 33 HD2 ASP 33 3.698 -1.697 11.490 213 H VAL 34 H VAL 34 4.633 -2.358 7.030 214 HA VAL 34 HA VAL 34 4.406 -1.253 4.489 215 HB VAL 34 HB VAL 34 2.908 -3.461 5.906 216 1HG1 VAL 34 1HG1 VAL 34 2.765 -2.527 3.035 217 2HG1 VAL 34 2HG1 VAL 34 2.413 -4.212 3.492 218 3HG1 VAL 34 3HG1 VAL 34 1.437 -2.884 4.165 219 1HG2 VAL 34 1HG2 VAL 34 4.427 -4.733 4.120 220 2HG2 VAL 34 2HG2 VAL 34 5.430 -3.275 4.311 221 3HG2 VAL 34 3HG2 VAL 34 5.039 -4.279 5.728 222 H GLY 35 H GLY 35 2.375 -0.657 3.321 223 1HA GLY 35 1HA GLY 35 0.238 0.385 5.023 224 2HA GLY 35 2HA GLY 35 1.156 1.549 4.088 225 H GLN 36 H GLN 36 -1.733 0.658 3.885 226 HA GLN 36 HA GLN 36 -1.617 0.104 1.042 227 1HB GLN 36 1HB GLN 36 -3.004 -1.534 3.142 228 2HB GLN 36 2HB GLN 36 -3.793 -1.360 1.565 229 1HG GLN 36 1HG GLN 36 -1.134 -1.909 0.913 230 2HG GLN 36 2HG GLN 36 -1.415 -2.931 2.332 231 1HE2 GLN 36 1HE2 GLN 36 -3.283 -1.823 -0.500 232 2HE2 GLN 36 2HE2 GLN 36 -3.855 -3.378 -1.005 233 H CYS 37 H CYS 37 -2.734 1.685 -0.012 234 HA CYS 37 HA CYS 37 -5.045 2.810 1.388 235 1HB CYS 37 1HB CYS 37 -3.109 4.413 -0.272 236 2HB CYS 37 2HB CYS 37 -4.493 5.022 0.652 237 H ALA 38 H ALA 38 -6.163 4.352 -0.546 238 HA ALA 38 HA ALA 38 -6.046 2.944 -3.078 239 1HB ALA 38 1HB ALA 38 -7.699 1.740 -1.549 240 2HB ALA 38 2HB ALA 38 -8.679 3.226 -1.589 241 3HB ALA 38 3HB ALA 38 -8.358 2.330 -3.094 242 H TRP 39 H TRP 39 -6.072 4.451 -4.670 243 HA TRP 39 HA TRP 39 -6.974 7.131 -3.930 244 1HB TRP 39 1HB TRP 39 -4.911 7.443 -4.774 245 2HB TRP 39 2HB TRP 39 -4.971 6.010 -5.803 246 HD1 TRP 39 HD TRP 39 -7.086 6.534 -7.908 247 HE1 TRP 39 1HE TRP 39 -7.147 8.566 -9.591 248 HE3 TRP 39 3HE TRP 39 -4.132 9.601 -5.129 249 HZ2 TRP 39 2HZ TRP 39 -5.978 11.170 -9.571 250 HZ3 TRP 39 3HZ TRP 39 -3.640 11.872 -6.034 251 HH2 TRP 39 HH TRP 39 -4.511 12.671 -8.173 252 H VAL 40 H VAL 40 -8.792 8.040 -4.872 253 HA VAL 40 HA VAL 40 -10.051 6.467 -7.011 254 HB VAL 40 HB VAL 40 -11.380 7.880 -4.690 255 1HG1 VAL 40 1HG1 VAL 40 -12.901 6.043 -6.472 256 2HG1 VAL 40 2HG1 VAL 40 -13.417 7.531 -5.641 257 3HG1 VAL 40 3HG1 VAL 40 -12.465 7.634 -7.143 258 1HG2 VAL 40 1HG2 VAL 40 -12.120 5.195 -4.672 259 2HG2 VAL 40 2HG2 VAL 40 -10.378 5.160 -5.040 260 3HG2 VAL 40 3HG2 VAL 40 -10.962 5.984 -3.574 261 H ASP 41 H ASP 41 -11.782 9.240 -5.948 262 HA ASP 41 HA ASP 41 -11.509 10.489 -8.389 263 1HB ASP 41 1HB ASP 41 -12.960 10.844 -5.969 264 2HB ASP 41 2HB ASP 41 -12.149 12.388 -6.270 265 HD2 ASP 41 HD2 ASP 41 -14.647 13.216 -8.428 266 H THR 42 H THR 42 -10.906 13.127 -8.207 267 HA THR 42 HA THR 42 -8.091 13.162 -7.836 268 HB THR 42 HB THR 42 -10.202 15.296 -8.437 269 HG1 THR 42 1HG THR 42 -8.205 13.693 -9.869 270 1HG2 THR 42 1HG2 THR 42 -8.360 16.709 -9.198 271 2HG2 THR 42 2HG2 THR 42 -8.016 16.263 -7.510 272 3HG2 THR 42 3HG2 THR 42 -7.171 15.434 -8.840 273 H GLY 43 H GLY 43 -7.563 12.636 -5.707 274 1HA GLY 43 1HA GLY 43 -6.744 13.703 -3.769 275 2HA GLY 43 2HA GLY 43 -8.088 14.827 -3.813 276 H VAL 44 H VAL 44 -9.558 11.998 -4.659 277 HA VAL 44 HA VAL 44 -10.408 11.545 -1.915 278 HB VAL 44 HB VAL 44 -11.490 10.440 -4.513 279 1HG1 VAL 44 1HG1 VAL 44 -12.231 10.158 -1.664 280 2HG1 VAL 44 2HG1 VAL 44 -13.580 10.533 -2.762 281 3HG1 VAL 44 3HG1 VAL 44 -12.569 9.097 -3.053 282 1HG2 VAL 44 1HG2 VAL 44 -11.517 12.942 -4.418 283 2HG2 VAL 44 2HG2 VAL 44 -13.134 12.202 -4.490 284 3HG2 VAL 44 3HG2 VAL 44 -12.511 12.831 -2.945 285 H LEU 45 H LEU 45 -8.160 10.634 -1.465 286 HA LEU 45 HA LEU 45 -8.100 7.820 -2.313 287 1HB LEU 45 1HB LEU 45 -6.285 9.006 -3.296 288 2HB LEU 45 2HB LEU 45 -5.832 9.726 -1.741 289 HG LEU 45 HG LEU 45 -5.680 6.782 -2.446 290 1HD1 LEU 45 1HD1 LEU 45 -3.636 7.093 -3.263 291 2HD1 LEU 45 2HD1 LEU 45 -3.988 8.838 -3.269 292 3HD1 LEU 45 3HD1 LEU 45 -3.156 8.102 -1.878 293 1HD2 LEU 45 1HD2 LEU 45 -5.911 6.704 -0.170 294 2HD2 LEU 45 2HD2 LEU 45 -4.150 6.924 -0.298 295 3HD2 LEU 45 3HD2 LEU 45 -5.196 8.315 0.076 296 H ALA 46 H ALA 46 -8.786 6.521 -0.704 297 HA ALA 46 HA ALA 46 -8.515 7.475 2.032 298 1HB ALA 46 1HB ALA 46 -10.617 6.616 1.938 299 2HB ALA 46 2HB ALA 46 -10.249 5.605 0.521 300 3HB ALA 46 3HB ALA 46 -9.798 5.050 2.151 301 H CYS 47 H CYS 47 -7.090 6.627 3.509 302 HA CYS 47 HA CYS 47 -5.228 4.668 2.438 303 1HB CYS 47 1HB CYS 47 -5.050 6.932 4.215 304 2HB CYS 47 2HB CYS 47 -4.352 5.487 4.966 305 H ASN 48 H ASN 48 -4.613 2.795 3.828 306 HA ASN 48 HA ASN 48 -6.853 2.050 5.538 307 1HB ASN 48 1HB ASN 48 -6.123 0.729 3.323 308 2HB ASN 48 2HB ASN 48 -4.923 0.009 4.407 309 1HD2 ASN 48 1HD2 ASN 48 -8.329 0.504 3.742 310 2HD2 ASN 48 2HD2 ASN 48 -8.956 -0.797 4.698 311 HA PRO 49 HA PRO 49 -3.269 2.301 8.280 312 1HB PRO 49 1HB PRO 49 -4.612 3.206 10.480 313 2HB PRO 49 2HB PRO 49 -3.869 4.278 9.295 314 1HG PRO 49 1HG PRO 49 -6.704 3.562 9.691 315 2HG PRO 49 2HG PRO 49 -6.014 4.987 8.830 316 1HD PRO 49 1HD PRO 49 -7.178 2.621 7.712 317 2HD PRO 49 2HD PRO 49 -6.371 3.921 6.825 318 H ALA 50 H ALA 50 -4.472 -0.096 7.541 319 HA ALA 50 HA ALA 50 -4.414 -1.390 10.172 320 1HB ALA 50 1HB ALA 50 -6.137 -2.940 8.630 321 2HB ALA 50 2HB ALA 50 -6.618 -1.812 9.920 322 3HB ALA 50 3HB ALA 50 -6.608 -1.273 8.224 323 H ASP 51 H ASP 51 -2.882 -0.887 7.306 324 HA ASP 51 HA ASP 51 -2.447 -3.140 6.020 325 1HB ASP 51 1HB ASP 51 0.106 -2.391 6.113 326 2HB ASP 51 2HB ASP 51 -1.098 -1.401 5.271 327 HD2 ASP 51 HD2 ASP 51 0.633 0.000 8.548 328 H PHE 52 H PHE 52 -0.834 -2.163 9.135 329 HA PHE 52 HA PHE 52 -0.081 -3.382 10.826 330 1HB PHE 52 1HB PHE 52 -1.953 -5.055 9.545 331 2HB PHE 52 2HB PHE 52 -0.501 -6.061 9.578 332 HD1 PHE 52 1HD PHE 52 -2.234 -3.734 11.944 333 HD2 PHE 52 2HD PHE 52 -0.445 -7.533 11.335 334 HE1 PHE 52 1HE PHE 52 -2.735 -4.351 14.325 335 HE2 PHE 52 2HE PHE 52 -0.944 -8.150 13.717 336 HZ PHE 52 HZ PHE 52 -2.083 -6.551 15.183 337 H SER 53 H SER 53 0.518 -5.280 7.775 338 HA SER 53 HA SER 53 2.803 -6.439 8.305 339 1HB SER 53 1HB SER 53 1.759 -5.070 5.861 340 2HB SER 53 2HB SER 53 3.456 -5.582 5.820 341 HG SER 53 HG SER 53 1.090 -7.193 6.198 342 H SER 54 H SER 54 5.128 -5.930 8.078 343 HA SER 54 HA SER 54 5.866 -3.197 7.855 344 1HB SER 54 1HB SER 54 7.080 -3.283 10.138 345 2HB SER 54 2HB SER 54 5.334 -2.976 10.150 346 HG SER 54 HG SER 54 6.753 -5.013 11.311 347 H VAL 55 H VAL 55 8.138 -2.986 7.410 348 HA VAL 55 HA VAL 55 9.766 -5.372 7.661 349 HB VAL 55 HB VAL 55 8.450 -5.327 5.433 350 1HG1 VAL 55 1HG1 VAL 55 8.886 -3.769 3.863 351 2HG1 VAL 55 2HG1 VAL 55 9.482 -2.794 5.229 352 3HG1 VAL 55 3HG1 VAL 55 10.625 -3.733 4.239 353 1HG2 VAL 55 1HG2 VAL 55 10.979 -5.772 4.351 354 2HG2 VAL 55 2HG2 VAL 55 11.194 -6.077 6.092 355 3HG2 VAL 55 3HG2 VAL 55 9.952 -6.967 5.178 356 H THR 56 H THR 56 11.821 -4.261 5.858 357 HA THR 56 HA THR 56 12.434 -1.698 7.124 358 HB THR 56 HB THR 56 14.028 -4.291 7.337 359 HG1 THR 56 1HG THR 56 13.803 -3.639 9.565 360 1HG2 THR 56 1HG2 THR 56 15.625 -2.492 6.644 361 2HG2 THR 56 2HG2 THR 56 14.957 -1.425 7.904 362 3HG2 THR 56 3HG2 THR 56 15.837 -2.904 8.362 363 H ALA 57 H ALA 57 14.531 -0.770 6.106 364 HA ALA 57 HA ALA 57 14.153 -1.046 3.236 365 1HB ALA 57 1HB ALA 57 16.103 0.931 3.950 366 2HB ALA 57 2HB ALA 57 14.458 1.176 3.315 367 3HB ALA 57 3HB ALA 57 14.729 1.079 5.072 368 H ASP 58 H ASP 58 16.446 -0.617 2.020 369 HA ASP 58 HA ASP 58 18.341 -2.459 3.243 370 1HB ASP 58 1HB ASP 58 18.842 -3.136 0.784 371 2HB ASP 58 2HB ASP 58 17.389 -3.802 1.542 372 HD2 ASP 58 HD2 ASP 58 15.889 -2.783 -1.388 373 H ALA 59 H ALA 59 20.320 -1.403 3.453 374 HA ALA 59 HA ALA 59 21.663 0.429 3.337 375 1HB ALA 59 1HB ALA 59 22.652 0.262 0.804 376 2HB ALA 59 2HB ALA 59 23.061 -0.883 2.103 377 3HB ALA 59 3HB ALA 59 21.798 -1.295 0.918 378 H ASN 60 H ASN 60 20.773 0.613 -0.126 379 HA ASN 60 HA ASN 60 20.744 3.186 -0.457 380 1HB ASN 60 1HB ASN 60 19.249 0.958 -1.624 381 2HB ASN 60 2HB ASN 60 18.306 2.452 -1.730 382 1HD2 ASN 60 1HD2 ASN 60 19.763 0.741 -3.717 383 2HD2 ASN 60 2HD2 ASN 60 20.797 1.813 -4.601 384 H GLY 61 H GLY 61 17.981 1.285 0.939 385 1HA GLY 61 1HA GLY 61 16.951 2.403 2.904 386 2HA GLY 61 2HA GLY 61 16.797 3.824 1.890 387 H SER 62 H SER 62 16.465 1.054 -0.067 388 HA SER 62 HA SER 62 13.633 1.517 -0.187 389 1HB SER 62 1HB SER 62 15.667 0.095 -1.890 390 2HB SER 62 2HB SER 62 13.951 -0.293 -2.106 391 HG SER 62 HG SER 62 13.591 2.027 -2.448 392 H ALA 63 H ALA 63 12.022 -0.044 0.301 393 HA ALA 63 HA ALA 63 12.756 -1.976 2.235 394 1HB ALA 63 1HB ALA 63 10.499 -0.580 1.634 395 2HB ALA 63 2HB ALA 63 10.105 -2.149 0.894 396 3HB ALA 63 3HB ALA 63 10.508 -2.058 2.624 397 H SER 64 H SER 64 12.005 -4.347 2.012 398 HA SER 64 HA SER 64 11.910 -5.396 -0.601 399 1HB SER 64 1HB SER 64 14.042 -6.823 -0.226 400 2HB SER 64 2HB SER 64 14.254 -5.146 -0.762 401 HG SER 64 HG SER 64 14.677 -6.299 1.841 402 H THR 65 H THR 65 10.134 -6.644 0.010 403 HA THR 65 HA THR 65 10.553 -9.037 1.367 404 HB THR 65 HB THR 65 10.772 -7.455 3.346 405 HG1 THR 65 1HG THR 65 9.912 -9.334 4.149 406 1HG2 THR 65 1HG2 THR 65 9.253 -5.702 3.296 407 2HG2 THR 65 2HG2 THR 65 8.100 -6.607 2.286 408 3HG2 THR 65 3HG2 THR 65 8.170 -6.903 4.040 409 H SER 66 H SER 66 8.443 -10.222 1.765 410 HA SER 66 HA SER 66 6.781 -9.612 -0.479 411 1HB SER 66 1HB SER 66 6.517 -11.852 1.564 412 2HB SER 66 2HB SER 66 5.748 -11.786 -0.033 413 HG SER 66 HG SER 66 7.688 -13.135 0.043 414 H LEU 67 H LEU 67 5.179 -8.092 -0.232 415 HA LEU 67 HA LEU 67 3.858 -7.966 2.382 416 1HB LEU 67 1HB LEU 67 3.954 -5.920 0.172 417 2HB LEU 67 2HB LEU 67 3.212 -5.714 1.767 418 HG LEU 67 HG LEU 67 6.129 -5.858 1.021 419 1HD1 LEU 67 1HD1 LEU 67 6.113 -3.780 2.529 420 2HD1 LEU 67 2HD1 LEU 67 5.363 -3.652 0.920 421 3HD1 LEU 67 3HD1 LEU 67 4.342 -3.837 2.366 422 1HD2 LEU 67 1HD2 LEU 67 6.369 -5.654 3.651 423 2HD2 LEU 67 2HD2 LEU 67 4.855 -6.587 3.622 424 3HD2 LEU 67 3HD2 LEU 67 6.314 -7.234 2.834 425 H THR 68 H THR 68 1.516 -7.794 2.453 426 HA THR 68 HA THR 68 0.308 -9.261 0.225 427 HB THR 68 HB THR 68 -0.021 -10.325 2.365 428 HG1 THR 68 1HG THR 68 -1.949 -9.490 0.870 429 1HG2 THR 68 1HG2 THR 68 -0.168 -7.524 3.330 430 2HG2 THR 68 2HG2 THR 68 -1.480 -8.548 3.961 431 3HG2 THR 68 3HG2 THR 68 0.217 -9.008 4.235 432 H VAL 69 H VAL 69 -0.654 -8.144 -1.342 433 HA VAL 69 HA VAL 69 -1.505 -5.437 -0.779 434 HB VAL 69 HB VAL 69 -1.926 -6.776 -3.407 435 1HG1 VAL 69 1HG1 VAL 69 -2.328 -4.627 -3.884 436 2HG1 VAL 69 2HG1 VAL 69 -1.651 -4.080 -2.332 437 3HG1 VAL 69 3HG1 VAL 69 -0.576 -4.356 -3.725 438 1HG2 VAL 69 1HG2 VAL 69 0.701 -6.538 -2.044 439 2HG2 VAL 69 2HG2 VAL 69 0.170 -7.642 -3.335 440 3HG2 VAL 69 3HG2 VAL 69 0.637 -5.970 -3.728 441 H ARG 70 H ARG 70 -3.038 -6.794 0.864 442 HA ARG 70 HA ARG 70 -5.131 -8.216 0.080 443 1HB ARG 70 1HB ARG 70 -5.141 -5.914 2.083 444 2HB ARG 70 2HB ARG 70 -6.394 -7.166 2.008 445 1HG ARG 70 1HG ARG 70 -5.110 -8.606 3.177 446 2HG ARG 70 2HG ARG 70 -3.726 -8.359 2.094 447 1HD ARG 70 1HD ARG 70 -4.400 -6.189 4.064 448 2HD ARG 70 2HD ARG 70 -3.644 -7.661 4.693 449 HE ARG 70 HE ARG 70 -2.155 -6.868 2.420 450 1HH1 ARG 70 1HH1 ARG 70 -2.915 -5.595 5.612 451 2HH1 ARG 70 2HH1 ARG 70 -1.442 -4.695 5.744 452 1HH2 ARG 70 1HH2 ARG 70 -0.210 -5.680 2.595 453 2HH2 ARG 70 2HH2 ARG 70 0.107 -4.743 4.016 454 H ARG 71 H ARG 71 -7.001 -7.928 -1.142 455 HA ARG 71 HA ARG 71 -7.240 -5.458 -2.510 456 1HB ARG 71 1HB ARG 71 -9.363 -6.699 -3.437 457 2HB ARG 71 2HB ARG 71 -7.761 -7.329 -3.864 458 1HG ARG 71 1HG ARG 71 -8.199 -9.285 -2.831 459 2HG ARG 71 2HG ARG 71 -8.665 -8.462 -1.332 460 1HD ARG 71 1HD ARG 71 -10.865 -7.936 -2.826 461 2HD ARG 71 2HD ARG 71 -10.370 -9.450 -3.597 462 HE ARG 71 HE ARG 71 -10.486 -9.434 -0.636 463 1HH1 ARG 71 1HH1 ARG 71 -12.051 -10.296 -3.668 464 2HH1 ARG 71 2HH1 ARG 71 -13.125 -11.441 -2.935 465 1HH2 ARG 71 1HH2 ARG 71 -11.904 -10.944 0.331 466 2HH2 ARG 71 2HH2 ARG 71 -13.041 -11.811 -0.646 467 H SER 72 H SER 72 -9.833 -7.438 -0.899 468 HA SER 72 HA SER 72 -11.500 -5.290 -0.503 469 1HB SER 72 1HB SER 72 -11.777 -7.944 -0.273 470 2HB SER 72 2HB SER 72 -11.574 -7.576 1.448 471 HG SER 72 HG SER 72 -13.779 -7.457 1.030 472 H PHE 73 H PHE 73 -10.747 -3.461 0.567 473 HA PHE 73 HA PHE 73 -9.951 -3.881 3.346 474 1HB PHE 73 1HB PHE 73 -8.339 -3.010 1.089 475 2HB PHE 73 2HB PHE 73 -8.564 -1.617 2.151 476 HD1 PHE 73 1HD PHE 73 -8.430 -5.075 3.395 477 HD2 PHE 73 2HD PHE 73 -6.259 -1.477 2.801 478 HE1 PHE 73 1HE PHE 73 -6.600 -5.933 4.883 479 HE2 PHE 73 2HE PHE 73 -4.429 -2.336 4.289 480 HZ PHE 73 HZ PHE 73 -4.622 -4.553 5.312 481 H GLU 74 H GLU 74 -10.365 -2.033 4.743 482 HA GLU 74 HA GLU 74 -12.589 -0.517 3.746 483 1HB GLU 74 1HB GLU 74 -12.660 0.286 6.176 484 2HB GLU 74 2HB GLU 74 -12.934 -1.446 5.917 485 1HG GLU 74 1HG GLU 74 -10.090 -0.757 6.255 486 2HG GLU 74 2HG GLU 74 -11.066 -0.310 7.661 487 HE2 GLU 74 HE2 GLU 74 -12.018 -3.755 8.049 488 H GLY 75 H GLY 75 -11.899 1.155 2.414 489 1HA GLY 75 1HA GLY 75 -9.516 2.627 2.867 490 2HA GLY 75 2HA GLY 75 -10.812 3.015 1.754 491 H PHE 76 H PHE 76 -9.148 4.196 4.364 492 HA PHE 76 HA PHE 76 -11.494 5.467 5.557 493 1HB PHE 76 1HB PHE 76 -8.529 5.191 6.303 494 2HB PHE 76 2HB PHE 76 -9.670 6.128 7.273 495 HD1 PHE 76 1HD PHE 76 -11.242 5.028 8.713 496 HD2 PHE 76 2HD PHE 76 -8.704 2.750 6.187 497 HE1 PHE 76 1HE PHE 76 -11.847 2.949 9.981 498 HE2 PHE 76 2HE PHE 76 -9.309 0.671 7.455 499 HZ PHE 76 HZ PHE 76 -10.874 0.794 9.337 500 H LEU 77 H LEU 77 -11.994 7.543 5.039 501 HA LEU 77 HA LEU 77 -11.120 9.037 3.119 502 1HB LEU 77 1HB LEU 77 -11.679 10.016 5.912 503 2HB LEU 77 2HB LEU 77 -11.598 11.065 4.484 504 HG LEU 77 HG LEU 77 -13.433 8.854 4.068 505 1HD1 LEU 77 1HD1 LEU 77 -13.638 10.350 6.644 506 2HD1 LEU 77 2HD1 LEU 77 -15.134 10.007 5.742 507 3HD1 LEU 77 3HD1 LEU 77 -14.074 8.670 6.250 508 1HD2 LEU 77 1HD2 LEU 77 -13.288 11.772 3.691 509 2HD2 LEU 77 2HD2 LEU 77 -13.961 10.501 2.641 510 3HD2 LEU 77 3HD2 LEU 77 -14.922 11.137 3.997 511 H PHE 78 H PHE 78 -9.641 9.803 6.340 512 HA PHE 78 HA PHE 78 -7.569 10.300 6.913 513 1HB PHE 78 1HB PHE 78 -7.255 8.153 5.354 514 2HB PHE 78 2HB PHE 78 -6.600 9.310 4.190 515 HD1 PHE 78 1HD PHE 78 -4.319 9.612 4.193 516 HD2 PHE 78 2HD PHE 78 -6.208 8.400 7.795 517 HE1 PHE 78 1HE PHE 78 -2.079 9.451 5.312 518 HE2 PHE 78 2HE PHE 78 -3.966 8.239 8.915 519 HZ PHE 78 HZ PHE 78 -1.929 8.766 7.660 520 H ASP 79 H ASP 79 -9.265 11.737 4.501 521 HA ASP 79 HA ASP 79 -7.872 14.094 4.652 522 1HB ASP 79 1HB ASP 79 -6.343 12.594 3.119 523 2HB ASP 79 2HB ASP 79 -7.558 12.919 1.874 524 HD2 ASP 79 HD2 ASP 79 -5.107 15.447 1.420 525 H GLY 80 H GLY 80 -9.914 11.826 2.767 526 1HA GLY 80 1HA GLY 80 -12.254 13.138 2.800 527 2HA GLY 80 2HA GLY 80 -11.425 13.940 1.481 528 H THR 81 H THR 81 -11.719 10.512 2.686 529 HA THR 81 HA THR 81 -12.880 9.750 0.140 530 HB THR 81 HB THR 81 -10.268 8.513 1.156 531 HG1 THR 81 1HG THR 81 -9.764 10.551 0.279 532 1HG2 THR 81 1HG2 THR 81 -11.475 6.929 -0.256 533 2HG2 THR 81 2HG2 THR 81 -11.934 8.218 -1.395 534 3HG2 THR 81 3HG2 THR 81 -10.235 7.696 -1.278 535 H ARG 82 H ARG 82 -14.767 9.068 1.049 536 HA ARG 82 HA ARG 82 -14.571 7.397 3.377 537 1HB ARG 82 1HB ARG 82 -16.404 9.278 2.597 538 2HB ARG 82 2HB ARG 82 -17.226 7.804 2.058 539 1HG ARG 82 1HG ARG 82 -17.389 6.952 4.234 540 2HG ARG 82 2HG ARG 82 -16.032 7.921 4.837 541 1HD ARG 82 1HD ARG 82 -17.548 9.398 5.622 542 2HD ARG 82 2HD ARG 82 -17.962 9.800 3.948 543 HE ARG 82 HE ARG 82 -19.316 7.390 4.777 544 1HH1 ARG 82 1HH1 ARG 82 -19.404 10.884 5.183 545 2HH1 ARG 82 2HH1 ARG 82 -21.102 10.930 5.526 546 1HH2 ARG 82 1HH2 ARG 82 -21.555 7.449 5.228 547 2HH2 ARG 82 2HH2 ARG 82 -22.334 8.963 5.551 548 H TRP 83 H TRP 83 -13.829 5.339 2.758 549 HA TRP 83 HA TRP 83 -15.127 4.093 0.453 550 1HB TRP 83 1HB TRP 83 -12.486 4.027 1.607 551 2HB TRP 83 2HB TRP 83 -13.150 2.397 1.491 552 HD1 TRP 83 HD TRP 83 -10.831 4.027 -0.443 553 HE1 TRP 83 1HE TRP 83 -10.985 3.747 -3.062 554 HE3 TRP 83 3HE TRP 83 -15.678 2.492 -0.521 555 HZ2 TRP 83 2HZ TRP 83 -13.070 2.932 -4.834 556 HZ3 TRP 83 3HZ TRP 83 -16.697 1.974 -2.736 557 HH2 TRP 83 HH TRP 83 -15.474 2.174 -4.844 558 H GLY 84 H GLY 84 -13.738 2.448 3.318 559 1HA GLY 84 1HA GLY 84 -14.749 1.338 5.031 560 2HA GLY 84 2HA GLY 84 -16.319 1.896 4.488 561 H THR 85 H THR 85 -14.234 -0.791 4.710 562 HA THR 85 HA THR 85 -14.081 -2.739 3.527 563 HB THR 85 HB THR 85 -16.649 -2.278 4.919 564 HG1 THR 85 1HG THR 85 -15.393 -3.703 6.053 565 1HG2 THR 85 1HG2 THR 85 -17.319 -4.721 4.094 566 2HG2 THR 85 2HG2 THR 85 -17.866 -3.303 3.167 567 3HG2 THR 85 3HG2 THR 85 -16.457 -4.240 2.612 568 H VAL 86 H VAL 86 -13.434 -2.082 1.430 569 HA VAL 86 HA VAL 86 -15.576 -2.489 -0.508 570 HB VAL 86 HB VAL 86 -14.920 0.012 0.043 571 1HG1 VAL 86 1HG1 VAL 86 -13.075 -0.189 -2.256 572 2HG1 VAL 86 2HG1 VAL 86 -12.999 0.839 -0.805 573 3HG1 VAL 86 3HG1 VAL 86 -12.447 -0.852 -0.729 574 1HG2 VAL 86 1HG2 VAL 86 -15.032 0.000 -2.798 575 2HG2 VAL 86 2HG2 VAL 86 -15.994 -1.383 -2.223 576 3HG2 VAL 86 3HG2 VAL 86 -16.358 0.259 -1.640 577 H ASP 87 H ASP 87 -14.524 -2.792 -2.789 578 HA ASP 87 HA ASP 87 -12.406 -4.680 -2.362 579 1HB ASP 87 1HB ASP 87 -14.502 -4.173 -4.351 580 2HB ASP 87 2HB ASP 87 -12.948 -4.521 -5.124 581 HD2 ASP 87 HD2 ASP 87 -14.796 -7.422 -3.129 582 H CYS 88 H CYS 88 -10.257 -4.069 -2.663 583 HA CYS 88 HA CYS 88 -9.548 -1.515 -3.461 584 1HB CYS 88 1HB CYS 88 -7.866 -2.355 -2.286 585 2HB CYS 88 2HB CYS 88 -8.168 -4.024 -2.802 586 H THR 89 H THR 89 -9.616 -4.688 -5.211 587 HA THR 89 HA THR 89 -8.485 -3.914 -7.592 588 HB THR 89 HB THR 89 -9.052 -6.243 -6.994 589 HG1 THR 89 1HG THR 89 -10.068 -6.679 -9.105 590 1HG2 THR 89 1HG2 THR 89 -11.430 -7.008 -7.197 591 2HG2 THR 89 2HG2 THR 89 -11.236 -5.872 -5.840 592 3HG2 THR 89 3HG2 THR 89 -11.948 -5.314 -7.373 593 H THR 90 H THR 90 -11.525 -2.894 -6.194 594 HA THR 90 HA THR 90 -12.525 -1.981 -8.767 595 HB THR 90 HB THR 90 -13.544 -2.420 -5.985 596 HG1 THR 90 1HG THR 90 -14.086 -3.777 -7.809 597 1HG2 THR 90 1HG2 THR 90 -15.590 -0.997 -6.599 598 2HG2 THR 90 2HG2 THR 90 -14.151 -0.060 -6.133 599 3HG2 THR 90 3HG2 THR 90 -14.585 -0.229 -7.851 600 H ALA 91 H ALA 91 -10.599 -0.827 -6.091 601 HA ALA 91 HA ALA 91 -10.865 1.888 -7.194 602 1HB ALA 91 1HB ALA 91 -10.800 2.774 -5.056 603 2HB ALA 91 2HB ALA 91 -11.660 1.249 -4.737 604 3HB ALA 91 3HB ALA 91 -9.919 1.379 -4.387 605 H ALA 92 H ALA 92 -9.086 -0.622 -7.762 606 HA ALA 92 HA ALA 92 -6.901 -1.140 -7.912 607 1HB ALA 92 1HB ALA 92 -7.349 1.575 -9.130 608 2HB ALA 92 2HB ALA 92 -5.703 0.896 -9.116 609 3HB ALA 92 3HB ALA 92 -7.023 0.015 -9.921 610 H CYS 93 H CYS 93 -7.303 -0.697 -5.264 611 HA CYS 93 HA CYS 93 -6.040 1.381 -4.046 612 1HB CYS 93 1HB CYS 93 -6.185 0.204 -2.129 613 2HB CYS 93 2HB CYS 93 -7.348 -0.694 -3.120 614 H GLN 94 H GLN 94 -3.859 0.731 -2.576 615 HA GLN 94 HA GLN 94 -1.935 -0.536 -4.301 616 1HB GLN 94 1HB GLN 94 -0.367 1.396 -4.156 617 2HB GLN 94 2HB GLN 94 -1.832 1.781 -5.077 618 1HG GLN 94 1HG GLN 94 -1.667 2.354 -2.109 619 2HG GLN 94 2HG GLN 94 -0.959 3.485 -3.273 620 1HE2 GLN 94 1HE2 GLN 94 -2.624 4.832 -2.141 621 2HE2 GLN 94 2HE2 GLN 94 -4.212 4.911 -2.827 622 H VAL 95 H VAL 95 0.217 -0.835 -3.133 623 HA VAL 95 HA VAL 95 -0.111 -0.675 -0.228 624 HB VAL 95 HB VAL 95 -0.770 -2.911 -0.933 625 1HG1 VAL 95 1HG1 VAL 95 0.636 -2.875 -3.051 626 2HG1 VAL 95 2HG1 VAL 95 2.028 -3.303 -2.027 627 3HG1 VAL 95 3HG1 VAL 95 0.634 -4.403 -2.139 628 1HG2 VAL 95 1HG2 VAL 95 0.853 -2.311 1.114 629 2HG2 VAL 95 2HG2 VAL 95 0.329 -3.975 0.761 630 3HG2 VAL 95 3HG2 VAL 95 1.931 -3.414 0.227 631 H GLY 96 H GLY 96 1.393 0.907 0.177 632 1HA GLY 96 1HA GLY 96 4.053 0.561 -1.064 633 2HA GLY 96 2HA GLY 96 3.361 2.083 -0.540 634 H LEU 97 H LEU 97 5.478 2.237 0.682 635 HA LEU 97 HA LEU 97 5.407 0.617 3.125 636 1HB LEU 97 1HB LEU 97 7.507 1.561 1.359 637 2HB LEU 97 2HB LEU 97 7.821 1.970 3.055 638 HG LEU 97 HG LEU 97 8.884 -0.074 2.768 639 1HD1 LEU 97 1HD1 LEU 97 7.078 0.054 4.643 640 2HD1 LEU 97 2HD1 LEU 97 6.241 -1.178 3.666 641 3HD1 LEU 97 3HD1 LEU 97 7.879 -1.495 4.285 642 1HD2 LEU 97 1HD2 LEU 97 7.299 -2.017 1.724 643 2HD2 LEU 97 2HD2 LEU 97 6.733 -0.596 0.814 644 3HD2 LEU 97 3HD2 LEU 97 8.457 -1.043 0.786 645 H SER 98 H SER 98 5.800 1.705 5.189 646 HA SER 98 HA SER 98 5.334 4.563 5.077 647 1HB SER 98 1HB SER 98 3.258 2.843 5.598 648 2HB SER 98 2HB SER 98 3.849 3.162 7.238 649 HG SER 98 HG SER 98 3.553 5.400 5.518 650 H ASP 99 H ASP 99 5.986 5.676 7.108 651 HA ASP 99 HA ASP 99 8.145 4.224 8.329 652 1HB ASP 99 1HB ASP 99 7.724 6.875 9.425 653 2HB ASP 99 2HB ASP 99 9.094 6.278 8.475 654 HD2 ASP 99 HD2 ASP 99 8.066 7.989 5.694 655 H ALA 100 H ALA 100 8.409 4.792 10.863 656 HA ALA 100 HA ALA 100 6.299 3.605 12.215 657 1HB ALA 100 1HB ALA 100 8.855 4.059 12.788 658 2HB ALA 100 2HB ALA 100 8.183 5.487 13.611 659 3HB ALA 100 3HB ALA 100 7.650 3.855 14.082 660 H ALA 101 H ALA 101 6.640 6.811 10.956 661 HA ALA 101 HA ALA 101 4.797 7.946 12.893 662 1HB ALA 101 1HB ALA 101 6.690 9.304 12.202 663 2HB ALA 101 2HB ALA 101 6.277 9.078 10.486 664 3HB ALA 101 3HB ALA 101 5.202 10.024 11.543 665 H GLY 102 H GLY 102 4.631 5.986 10.157 666 1HA GLY 102 1HA GLY 102 2.853 5.317 8.938 667 2HA GLY 102 2HA GLY 102 1.825 6.383 9.875 668 H ASN 103 H ASN 103 4.675 7.838 8.428 669 HA ASN 103 HA ASN 103 2.919 9.311 6.685 670 1HB ASN 103 1HB ASN 103 5.526 9.737 7.998 671 2HB ASN 103 2HB ASN 103 5.545 10.263 6.309 672 1HD2 ASN 103 1HD2 ASN 103 5.787 12.400 7.068 673 2HD2 ASN 103 2HD2 ASN 103 4.442 13.324 7.648 674 H GLY 104 H GLY 104 4.672 10.024 4.587 675 1HA GLY 104 1HA GLY 104 5.404 9.312 2.586 676 2HA GLY 104 2HA GLY 104 6.255 8.054 3.462 677 HA PRO 105 HA PRO 105 2.073 6.180 2.279 678 1HB PRO 105 1HB PRO 105 0.188 7.691 1.004 679 2HB PRO 105 2HB PRO 105 0.201 7.436 2.747 680 1HG PRO 105 1HG PRO 105 1.020 9.792 1.171 681 2HG PRO 105 2HG PRO 105 0.580 9.704 2.915 682 1HD PRO 105 1HD PRO 105 3.182 9.947 1.743 683 2HD PRO 105 2HD PRO 105 2.814 9.706 3.456 684 H GLU 106 H GLU 106 0.555 5.910 0.033 685 HA GLU 106 HA GLU 106 0.655 5.398 -2.078 686 1HB GLU 106 1HB GLU 106 2.204 7.768 -1.948 687 2HB GLU 106 2HB GLU 106 3.108 6.661 -2.995 688 1HG GLU 106 1HG GLU 106 0.437 6.354 -3.798 689 2HG GLU 106 2HG GLU 106 0.589 8.091 -3.498 690 HE2 GLU 106 HE2 GLU 106 2.414 8.515 -6.369 691 H GLY 107 H GLY 107 2.047 4.150 -3.765 692 1HA GLY 107 1HA GLY 107 4.534 3.056 -3.045 693 2HA GLY 107 2HA GLY 107 3.269 1.972 -2.499 694 H VAL 108 H VAL 108 1.545 1.344 -4.159 695 HA VAL 108 HA VAL 108 2.035 1.758 -6.895 696 HB VAL 108 HB VAL 108 3.991 0.364 -6.433 697 1HG1 VAL 108 1HG1 VAL 108 2.024 -1.810 -5.637 698 2HG1 VAL 108 2HG1 VAL 108 3.799 -1.940 -5.706 699 3HG1 VAL 108 3HG1 VAL 108 3.031 -0.880 -4.500 700 1HG2 VAL 108 1HG2 VAL 108 1.800 -0.907 -8.100 701 2HG2 VAL 108 2HG2 VAL 108 3.083 0.204 -8.640 702 3HG2 VAL 108 3HG2 VAL 108 3.496 -1.447 -8.120 703 H ALA 109 H ALA 109 0.106 1.438 -7.909 704 HA ALA 109 HA ALA 109 -2.018 0.284 -6.339 705 1HB ALA 109 1HB ALA 109 -3.092 1.919 -7.447 706 2HB ALA 109 2HB ALA 109 -1.702 2.167 -8.530 707 3HB ALA 109 3HB ALA 109 -2.932 0.944 -8.927 708 H ILE 110 H ILE 110 -2.572 -1.831 -6.398 709 HA ILE 110 HA ILE 110 -1.788 -3.323 -8.806 710 HB ILE 110 HB ILE 110 -1.628 -3.964 -5.900 711 1HG1 ILE 110 1HG1 ILE 110 0.144 -4.656 -8.250 712 2HG1 ILE 110 2HG1 ILE 110 0.351 -3.234 -7.214 713 1HG2 ILE 110 1HG2 ILE 110 -2.284 -5.939 -8.079 714 2HG2 ILE 110 2HG2 ILE 110 -1.380 -6.416 -6.621 715 3HG2 ILE 110 3HG2 ILE 110 -3.024 -5.749 -6.472 716 1HD1 ILE 110 1HD1 ILE 110 1.376 -5.845 -6.797 717 2HD1 ILE 110 2HD1 ILE 110 1.422 -4.480 -5.655 718 3HD1 ILE 110 3HD1 ILE 110 0.076 -5.643 -5.597 719 H SER 111 H SER 111 -3.289 -4.877 -9.633 720 HA SER 111 HA SER 111 -5.991 -4.350 -8.677 721 1HB SER 111 1HB SER 111 -4.826 -4.266 -11.292 722 2HB SER 111 2HB SER 111 -5.997 -5.597 -11.274 723 HG SER 111 HG SER 111 -7.285 -3.678 -10.055 724 H PHE 112 H PHE 112 -7.086 -6.059 -7.763 725 HA PHE 112 HA PHE 112 -5.849 -8.691 -8.046 726 1HB PHE 112 1HB PHE 112 -7.562 -7.179 -6.052 727 2HB PHE 112 2HB PHE 112 -7.716 -8.938 -6.070 728 HD1 PHE 112 1HD PHE 112 -6.797 -9.398 -3.940 729 HD2 PHE 112 2HD PHE 112 -4.600 -7.051 -6.709 730 HE1 PHE 112 1HE PHE 112 -4.765 -9.573 -2.476 731 HE2 PHE 112 2HE PHE 112 -2.567 -7.226 -5.247 732 HZ PHE 112 HZ PHE 112 -2.674 -8.485 -3.147 733 H ASN 113 H ASN 113 -6.887 -10.366 -9.064 734 HA ASN 113 HA ASN 113 -9.042 -9.831 -10.680 735 1HB ASN 113 1HB ASN 113 -7.571 -11.700 -11.157 736 2HB ASN 113 2HB ASN 113 -7.911 -12.457 -9.596 737 1HD2 ASN 113 1HD2 ASN 113 -8.452 -12.693 -12.771 738 2HD2 ASN 113 2HD2 ASN 113 -10.007 -13.454 -12.821 Start of MODEL 43 1 H ALA 1 H ALA 1 8.176 9.531 -8.240 2 HA ALA 1 HA ALA 1 10.291 10.361 -9.948 3 1HB ALA 1 1HB ALA 1 9.705 12.861 -9.555 4 2HB ALA 1 2HB ALA 1 8.838 11.989 -10.842 5 3HB ALA 1 3HB ALA 1 8.047 12.279 -9.274 6 H ALA 2 H ALA 2 10.126 8.843 -7.566 7 HA ALA 2 HA ALA 2 11.994 10.145 -5.982 8 1HB ALA 2 1HB ALA 2 10.840 11.298 -4.425 9 2HB ALA 2 2HB ALA 2 9.437 11.168 -5.513 10 3HB ALA 2 3HB ALA 2 9.666 9.976 -4.212 11 HA PRO 3 HA PRO 3 12.124 6.177 -4.220 12 1HB PRO 3 1HB PRO 3 12.395 6.459 -1.516 13 2HB PRO 3 2HB PRO 3 13.724 6.695 -2.649 14 1HG PRO 3 1HG PRO 3 12.091 8.679 -1.201 15 2HG PRO 3 2HG PRO 3 13.714 8.893 -1.951 16 1HD PRO 3 1HD PRO 3 11.174 9.797 -2.914 17 2HD PRO 3 2HD PRO 3 12.720 9.892 -3.767 18 H THR 4 H THR 4 11.151 4.332 -3.163 19 HA THR 4 HA THR 4 9.031 4.383 -1.505 20 HB THR 4 HB THR 4 7.566 5.732 -2.724 21 HG1 THR 4 1HG THR 4 6.186 4.200 -3.847 22 1HG2 THR 4 1HG2 THR 4 9.354 5.026 -4.964 23 2HG2 THR 4 2HG2 THR 4 7.638 4.971 -5.436 24 3HG2 THR 4 3HG2 THR 4 8.326 6.466 -4.759 25 H ALA 5 H ALA 5 7.528 2.392 -1.801 26 HA ALA 5 HA ALA 5 9.273 0.259 -2.783 27 1HB ALA 5 1HB ALA 5 6.942 -0.592 -1.264 28 2HB ALA 5 2HB ALA 5 8.670 -0.823 -0.906 29 3HB ALA 5 3HB ALA 5 7.845 0.667 -0.386 30 H THR 6 H THR 6 8.157 -1.645 -3.828 31 HA THR 6 HA THR 6 5.615 -1.026 -5.085 32 HB THR 6 HB THR 6 6.563 -1.296 -7.367 33 HG1 THR 6 1HG THR 6 8.978 -1.491 -5.711 34 1HG2 THR 6 1HG2 THR 6 7.786 0.768 -7.569 35 2HG2 THR 6 2HG2 THR 6 6.688 1.031 -6.193 36 3HG2 THR 6 3HG2 THR 6 8.402 0.650 -5.903 37 H VAL 7 H VAL 7 4.619 -2.885 -6.103 38 HA VAL 7 HA VAL 7 5.603 -5.335 -4.846 39 HB VAL 7 HB VAL 7 2.938 -5.045 -6.177 40 1HG1 VAL 7 1HG1 VAL 7 3.125 -6.350 -3.557 41 2HG1 VAL 7 2HG1 VAL 7 2.445 -6.945 -5.090 42 3HG1 VAL 7 3HG1 VAL 7 4.193 -7.079 -4.780 43 1HG2 VAL 7 1HG2 VAL 7 1.956 -4.103 -4.153 44 2HG2 VAL 7 2HG2 VAL 7 3.559 -4.025 -3.384 45 3HG2 VAL 7 3HG2 VAL 7 3.201 -3.007 -4.800 46 H THR 8 H THR 8 5.673 -7.335 -6.091 47 HA THR 8 HA THR 8 6.954 -7.054 -8.538 48 HB THR 8 HB THR 8 5.900 -9.198 -6.776 49 HG1 THR 8 1HG THR 8 8.133 -8.889 -6.856 50 1HG2 THR 8 1HG2 THR 8 6.288 -10.941 -8.587 51 2HG2 THR 8 2HG2 THR 8 4.795 -10.002 -8.825 52 3HG2 THR 8 3HG2 THR 8 6.243 -9.629 -9.789 53 HA PRO 9 HA PRO 9 2.863 -8.002 -10.634 54 1HB PRO 9 1HB PRO 9 0.553 -8.176 -9.187 55 2HB PRO 9 2HB PRO 9 1.514 -9.582 -9.642 56 1HG PRO 9 1HG PRO 9 1.292 -8.197 -7.046 57 2HG PRO 9 2HG PRO 9 1.869 -9.869 -7.381 58 1HD PRO 9 1HD PRO 9 3.417 -7.548 -6.735 59 2HD PRO 9 2HD PRO 9 4.040 -9.131 -7.213 60 H SER 10 H SER 10 1.106 -6.740 -11.609 61 HA SER 10 HA SER 10 0.946 -4.156 -10.285 62 1HB SER 10 1HB SER 10 1.881 -4.776 -13.072 63 2HB SER 10 2HB SER 10 0.968 -3.279 -12.809 64 HG SER 10 HG SER 10 3.593 -3.889 -12.190 65 H SER 11 H SER 11 -0.671 -6.835 -11.194 66 HA SER 11 HA SER 11 -3.146 -5.602 -11.154 67 1HB SER 11 1HB SER 11 -3.942 -6.082 -13.451 68 2HB SER 11 2HB SER 11 -2.641 -4.877 -13.447 69 HG SER 11 HG SER 11 -2.749 -7.386 -14.628 70 H GLY 12 H GLY 12 -4.935 -7.256 -11.360 71 1HA GLY 12 1HA GLY 12 -5.802 -9.308 -11.050 72 2HA GLY 12 2HA GLY 12 -4.388 -9.984 -11.835 73 H LEU 13 H LEU 13 -4.421 -7.927 -8.871 74 HA LEU 13 HA LEU 13 -2.680 -9.634 -7.507 75 1HB LEU 13 1HB LEU 13 -4.549 -7.518 -6.451 76 2HB LEU 13 2HB LEU 13 -3.188 -8.231 -5.569 77 HG LEU 13 HG LEU 13 -2.939 -6.640 -8.134 78 1HD1 LEU 13 1HD1 LEU 13 -1.799 -5.123 -6.136 79 2HD1 LEU 13 2HD1 LEU 13 -3.394 -4.851 -6.879 80 3HD1 LEU 13 3HD1 LEU 13 -3.265 -5.769 -5.359 81 1HD2 LEU 13 1HD2 LEU 13 -0.606 -6.825 -6.387 82 2HD2 LEU 13 2HD2 LEU 13 -1.148 -8.408 -6.995 83 3HD2 LEU 13 3HD2 LEU 13 -0.758 -7.100 -8.139 84 H SER 14 H SER 14 -4.453 -9.394 -4.941 85 HA SER 14 HA SER 14 -6.609 -11.113 -5.368 86 1HB SER 14 1HB SER 14 -4.497 -12.626 -5.653 87 2HB SER 14 2HB SER 14 -4.357 -12.503 -3.891 88 HG SER 14 HG SER 14 -5.968 -14.119 -5.365 89 H ASP 15 H ASP 15 -7.779 -11.522 -3.330 90 HA ASP 15 HA ASP 15 -7.635 -9.441 -1.581 91 1HB ASP 15 1HB ASP 15 -9.004 -10.959 -0.053 92 2HB ASP 15 2HB ASP 15 -9.641 -10.758 -1.694 93 HD2 ASP 15 HD2 ASP 15 -8.931 -14.116 -2.463 94 H GLY 16 H GLY 16 -5.425 -9.171 -0.807 95 1HA GLY 16 1HA GLY 16 -4.025 -9.377 1.011 96 2HA GLY 16 2HA GLY 16 -4.736 -10.928 1.411 97 H THR 17 H THR 17 -3.376 -9.763 -1.742 98 HA THR 17 HA THR 17 -1.896 -12.200 -2.028 99 HB THR 17 HB THR 17 -2.930 -11.131 -3.975 100 HG1 THR 17 1HG THR 17 -0.619 -12.047 -3.971 101 1HG2 THR 17 1HG2 THR 17 -1.492 -8.705 -2.901 102 2HG2 THR 17 2HG2 THR 17 -1.566 -8.900 -4.669 103 3HG2 THR 17 3HG2 THR 17 -3.069 -8.808 -3.719 104 H VAL 18 H VAL 18 -0.459 -12.347 -0.280 105 HA VAL 18 HA VAL 18 1.360 -10.183 0.200 106 HB VAL 18 HB VAL 18 1.648 -12.984 1.241 107 1HG1 VAL 18 1HG1 VAL 18 2.765 -10.382 1.828 108 2HG1 VAL 18 2HG1 VAL 18 1.940 -11.038 3.263 109 3HG1 VAL 18 3HG1 VAL 18 3.221 -11.981 2.464 110 1HG2 VAL 18 1HG2 VAL 18 -0.541 -12.889 1.838 111 2HG2 VAL 18 2HG2 VAL 18 0.094 -11.869 3.152 112 3HG2 VAL 18 3HG2 VAL 18 -0.616 -11.116 1.704 113 H VAL 19 H VAL 19 2.262 -9.939 -1.970 114 HA VAL 19 HA VAL 19 3.974 -12.169 -2.780 115 HB VAL 19 HB VAL 19 4.026 -11.142 -4.934 116 1HG1 VAL 19 1HG1 VAL 19 1.505 -10.955 -5.410 117 2HG1 VAL 19 2HG1 VAL 19 2.102 -12.480 -4.713 118 3HG1 VAL 19 3HG1 VAL 19 1.281 -11.289 -3.677 119 1HG2 VAL 19 1HG2 VAL 19 3.558 -8.736 -3.517 120 2HG2 VAL 19 2HG2 VAL 19 3.843 -8.946 -5.263 121 3HG2 VAL 19 3HG2 VAL 19 2.182 -8.952 -4.625 122 H LYS 20 H LYS 20 6.084 -11.167 -3.983 123 HA LYS 20 HA LYS 20 7.559 -9.998 -1.854 124 1HB LYS 20 1HB LYS 20 8.069 -11.266 -4.431 125 2HB LYS 20 2HB LYS 20 9.162 -9.907 -4.114 126 1HG LYS 20 1HG LYS 20 9.974 -10.889 -2.114 127 2HG LYS 20 2HG LYS 20 8.610 -12.013 -1.995 128 1HD LYS 20 1HD LYS 20 9.450 -13.080 -4.148 129 2HD LYS 20 2HD LYS 20 10.904 -12.076 -4.007 130 1HE LYS 20 1HE LYS 20 11.553 -13.144 -1.964 131 2HE LYS 20 2HE LYS 20 9.963 -13.893 -1.750 132 1HZ LYS 20 1HZ LYS 20 10.450 -15.465 -3.271 133 2HZ LYS 20 2HZ LYS 20 11.437 -14.515 -4.161 134 3HZ LYS 20 3HZ LYS 20 11.976 -15.174 -2.768 135 H VAL 21 H VAL 21 8.348 -7.904 -1.613 136 HA VAL 21 HA VAL 21 7.677 -5.992 -3.705 137 HB VAL 21 HB VAL 21 6.788 -5.772 -0.823 138 1HG1 VAL 21 1HG1 VAL 21 6.429 -3.559 -1.073 139 2HG1 VAL 21 2HG1 VAL 21 7.637 -3.686 -2.373 140 3HG1 VAL 21 3HG1 VAL 21 5.902 -3.731 -2.765 141 1HG2 VAL 21 1HG2 VAL 21 5.438 -6.537 -3.348 142 2HG2 VAL 21 2HG2 VAL 21 5.047 -6.951 -1.661 143 3HG2 VAL 21 3HG2 VAL 21 4.561 -5.373 -2.326 144 H ALA 22 H ALA 22 9.200 -4.358 -3.898 145 HA ALA 22 HA ALA 22 11.192 -4.173 -1.763 146 1HB ALA 22 1HB ALA 22 13.007 -4.443 -3.257 147 2HB ALA 22 2HB ALA 22 11.873 -5.741 -3.705 148 3HB ALA 22 3HB ALA 22 11.969 -4.262 -4.691 149 H GLY 23 H GLY 23 12.500 -2.126 -1.958 150 1HA GLY 23 1HA GLY 23 12.756 0.023 -2.920 151 2HA GLY 23 2HA GLY 23 11.106 -0.042 -3.509 152 H ALA 24 H ALA 24 11.801 2.218 -2.147 153 HA ALA 24 HA ALA 24 9.930 2.695 -0.355 154 1HB ALA 24 1HB ALA 24 11.288 2.354 1.886 155 2HB ALA 24 2HB ALA 24 10.355 1.007 1.189 156 3HB ALA 24 3HB ALA 24 12.117 1.086 0.950 157 H GLY 25 H GLY 25 11.455 4.021 1.790 158 1HA GLY 25 1HA GLY 25 12.127 6.401 0.446 159 2HA GLY 25 2HA GLY 25 12.431 6.018 2.129 160 H LEU 26 H LEU 26 13.799 3.482 0.427 161 HA LEU 26 HA LEU 26 15.913 2.874 0.150 162 1HB LEU 26 1HB LEU 26 15.575 3.882 -1.953 163 2HB LEU 26 2HB LEU 26 15.865 5.509 -1.314 164 HG LEU 26 HG LEU 26 18.216 4.136 -0.751 165 1HD1 LEU 26 1HD1 LEU 26 17.707 3.524 -3.635 166 2HD1 LEU 26 2HD1 LEU 26 18.853 2.786 -2.490 167 3HD1 LEU 26 3HD1 LEU 26 17.120 2.391 -2.394 168 1HD2 LEU 26 1HD2 LEU 26 18.799 5.462 -3.071 169 2HD2 LEU 26 2HD2 LEU 26 17.303 6.275 -2.550 170 3HD2 LEU 26 3HD2 LEU 26 18.706 6.203 -1.456 171 H GLN 27 H GLN 27 15.682 3.476 2.704 172 HA GLN 27 HA GLN 27 17.450 5.600 3.417 173 1HB GLN 27 1HB GLN 27 15.642 3.691 4.819 174 2HB GLN 27 2HB GLN 27 17.026 4.277 5.760 175 1HG GLN 27 1HG GLN 27 15.466 6.304 4.202 176 2HG GLN 27 2HG GLN 27 14.667 5.608 5.619 177 1HE2 GLN 27 1HE2 GLN 27 16.518 8.077 4.543 178 2HE2 GLN 27 2HE2 GLN 27 17.330 8.561 5.993 179 H ALA 28 H ALA 28 17.622 2.537 5.193 180 HA ALA 28 HA ALA 28 19.742 1.308 3.961 181 1HB ALA 28 1HB ALA 28 21.538 2.158 5.714 182 2HB ALA 28 2HB ALA 28 21.256 3.052 4.200 183 3HB ALA 28 3HB ALA 28 20.525 3.621 5.720 184 H GLY 29 H GLY 29 18.427 -0.433 4.718 185 1HA GLY 29 1HA GLY 29 17.791 -2.034 6.161 186 2HA GLY 29 2HA GLY 29 19.213 -1.619 7.097 187 H THR 30 H THR 30 17.005 1.031 6.569 188 HA THR 30 HA THR 30 16.346 1.023 9.389 189 HB THR 30 HB THR 30 16.031 2.950 7.045 190 HG1 THR 30 1HG THR 30 18.081 2.973 8.054 191 1HG2 THR 30 1HG2 THR 30 14.125 3.588 8.318 192 2HG2 THR 30 2HG2 THR 30 14.862 3.061 9.850 193 3HG2 THR 30 3HG2 THR 30 15.423 4.554 9.060 194 H ALA 31 H ALA 31 14.199 1.163 10.246 195 HA ALA 31 HA ALA 31 12.491 -0.759 9.192 196 1HB ALA 31 1HB ALA 31 12.690 0.183 11.578 197 2HB ALA 31 2HB ALA 31 11.662 1.521 11.012 198 3HB ALA 31 3HB ALA 31 11.047 -0.150 10.978 199 H TYR 32 H TYR 32 10.505 -0.625 8.043 200 HA TYR 32 HA TYR 32 9.747 1.981 7.008 201 1HB TYR 32 1HB TYR 32 11.021 -0.354 5.571 202 2HB TYR 32 2HB TYR 32 9.678 0.420 4.727 203 HD1 TYR 32 1HD TYR 32 10.874 3.074 6.453 204 HD2 TYR 32 2HD TYR 32 12.154 0.434 3.340 205 HE1 TYR 32 1HE TYR 32 12.466 4.857 5.586 206 HE2 TYR 32 2HE TYR 32 13.742 2.225 2.484 207 HH TYR 32 HH TYR 32 13.672 5.468 3.790 208 H ASP 33 H ASP 33 7.906 1.495 8.454 209 HA ASP 33 HA ASP 33 6.391 -0.705 8.433 210 1HB ASP 33 1HB ASP 33 6.123 2.001 9.233 211 2HB ASP 33 2HB ASP 33 4.660 1.647 8.302 212 HD2 ASP 33 HD2 ASP 33 5.213 -0.374 11.694 213 H VAL 34 H VAL 34 4.776 -1.614 7.054 214 HA VAL 34 HA VAL 34 4.798 -0.679 4.343 215 HB VAL 34 HB VAL 34 3.586 -2.990 5.836 216 1HG1 VAL 34 1HG1 VAL 34 2.814 -3.799 3.538 217 2HG1 VAL 34 2HG1 VAL 34 1.850 -2.512 4.300 218 3HG1 VAL 34 3HG1 VAL 34 2.996 -2.112 3.000 219 1HG2 VAL 34 1HG2 VAL 34 5.473 -2.949 3.462 220 2HG2 VAL 34 2HG2 VAL 34 6.015 -2.969 5.157 221 3HG2 VAL 34 3HG2 VAL 34 5.065 -4.328 4.511 222 H GLY 35 H GLY 35 3.123 0.309 3.201 223 1HA GLY 35 1HA GLY 35 0.794 1.130 4.834 224 2HA GLY 35 2HA GLY 35 1.644 2.224 3.761 225 H GLN 36 H GLN 36 -1.204 0.855 3.885 226 HA GLN 36 HA GLN 36 -1.201 0.268 1.038 227 1HB GLN 36 1HB GLN 36 -1.384 -1.916 1.805 228 2HB GLN 36 2HB GLN 36 -2.255 -1.454 3.277 229 1HG GLN 36 1HG GLN 36 -4.190 -1.951 2.240 230 2HG GLN 36 2HG GLN 36 -3.886 -0.653 1.073 231 1HE2 GLN 36 1HE2 GLN 36 -4.356 -1.436 -0.842 232 2HE2 GLN 36 2HE2 GLN 36 -3.787 -2.920 -1.530 233 H CYS 37 H CYS 37 -2.433 1.843 0.110 234 HA CYS 37 HA CYS 37 -4.875 2.592 1.540 235 1HB CYS 37 1HB CYS 37 -3.138 4.471 -0.051 236 2HB CYS 37 2HB CYS 37 -4.616 4.883 0.837 237 H ALA 38 H ALA 38 -6.111 4.121 -0.395 238 HA ALA 38 HA ALA 38 -5.901 2.683 -2.915 239 1HB ALA 38 1HB ALA 38 -8.598 2.977 -1.575 240 2HB ALA 38 2HB ALA 38 -8.126 1.915 -2.924 241 3HB ALA 38 3HB ALA 38 -7.572 1.554 -1.272 242 H TRP 39 H TRP 39 -5.332 4.469 -4.114 243 HA TRP 39 HA TRP 39 -6.653 6.986 -3.606 244 1HB TRP 39 1HB TRP 39 -4.469 7.376 -4.076 245 2HB TRP 39 2HB TRP 39 -4.339 6.039 -5.220 246 HD1 TRP 39 HD TRP 39 -6.192 9.495 -5.159 247 HE1 TRP 39 1HE TRP 39 -6.086 10.633 -7.538 248 HE3 TRP 39 3HE TRP 39 -3.688 5.702 -7.442 249 HZ2 TRP 39 2HZ TRP 39 -4.991 9.837 -10.050 250 HZ3 TRP 39 3HZ TRP 39 -3.140 5.963 -9.860 251 HH2 TRP 39 HH TRP 39 -3.749 7.942 -11.157 252 H VAL 40 H VAL 40 -8.318 7.847 -4.846 253 HA VAL 40 HA VAL 40 -9.117 6.269 -7.190 254 HB VAL 40 HB VAL 40 -10.839 7.409 -4.984 255 1HG1 VAL 40 1HG1 VAL 40 -12.127 7.889 -6.861 256 2HG1 VAL 40 2HG1 VAL 40 -11.544 6.465 -7.756 257 3HG1 VAL 40 3HG1 VAL 40 -12.696 6.263 -6.412 258 1HG2 VAL 40 1HG2 VAL 40 -10.421 4.571 -5.984 259 2HG2 VAL 40 2HG2 VAL 40 -9.844 5.249 -4.442 260 3HG2 VAL 40 3HG2 VAL 40 -11.590 5.065 -4.735 261 H ASP 41 H ASP 41 -9.034 9.417 -5.454 262 HA ASP 41 HA ASP 41 -8.563 10.749 -7.878 263 1HB ASP 41 1HB ASP 41 -11.327 10.529 -6.924 264 2HB ASP 41 2HB ASP 41 -10.816 12.221 -7.019 265 HD2 ASP 41 HD2 ASP 41 -12.214 11.175 -10.212 266 H THR 42 H THR 42 -8.943 13.365 -7.263 267 HA THR 42 HA THR 42 -7.184 13.875 -5.155 268 HB THR 42 HB THR 42 -9.216 15.655 -6.602 269 HG1 THR 42 1HG THR 42 -7.378 15.910 -7.993 270 1HG2 THR 42 1HG2 THR 42 -6.680 16.883 -5.840 271 2HG2 THR 42 2HG2 THR 42 -8.333 17.435 -5.475 272 3HG2 THR 42 3HG2 THR 42 -7.520 16.282 -4.390 273 H GLY 43 H GLY 43 -7.729 12.919 -3.209 274 1HA GLY 43 1HA GLY 43 -8.582 13.527 -1.089 275 2HA GLY 43 2HA GLY 43 -10.006 14.205 -1.853 276 H VAL 44 H VAL 44 -9.641 11.554 -3.705 277 HA VAL 44 HA VAL 44 -11.387 9.982 -1.969 278 HB VAL 44 HB VAL 44 -10.869 9.429 -4.868 279 1HG1 VAL 44 1HG1 VAL 44 -12.221 7.827 -3.646 280 2HG1 VAL 44 2HG1 VAL 44 -13.286 9.126 -3.055 281 3HG1 VAL 44 3HG1 VAL 44 -13.251 8.724 -4.788 282 1HG2 VAL 44 1HG2 VAL 44 -12.926 10.979 -5.251 283 2HG2 VAL 44 2HG2 VAL 44 -12.424 11.742 -3.724 284 3HG2 VAL 44 3HG2 VAL 44 -11.308 11.704 -5.109 285 H LEU 45 H LEU 45 -8.726 9.988 -1.144 286 HA LEU 45 HA LEU 45 -7.791 7.373 -2.106 287 1HB LEU 45 1HB LEU 45 -6.307 9.214 -2.669 288 2HB LEU 45 2HB LEU 45 -6.196 9.669 -0.960 289 HG LEU 45 HG LEU 45 -5.295 7.003 -2.080 290 1HD1 LEU 45 1HD1 LEU 45 -3.496 9.320 -1.349 291 2HD1 LEU 45 2HD1 LEU 45 -3.067 7.794 -2.160 292 3HD1 LEU 45 3HD1 LEU 45 -4.055 9.007 -3.010 293 1HD2 LEU 45 1HD2 LEU 45 -3.940 7.066 0.113 294 2HD2 LEU 45 2HD2 LEU 45 -5.100 8.317 0.623 295 3HD2 LEU 45 3HD2 LEU 45 -5.677 6.688 0.196 296 H ALA 46 H ALA 46 -8.920 6.034 -0.692 297 HA ALA 46 HA ALA 46 -8.932 6.682 2.120 298 1HB ALA 46 1HB ALA 46 -10.710 5.288 2.168 299 2HB ALA 46 2HB ALA 46 -10.621 5.317 0.390 300 3HB ALA 46 3HB ALA 46 -9.834 4.005 1.299 301 H CYS 47 H CYS 47 -7.363 6.096 3.531 302 HA CYS 47 HA CYS 47 -5.314 4.306 2.563 303 1HB CYS 47 1HB CYS 47 -5.538 6.406 4.582 304 2HB CYS 47 2HB CYS 47 -4.598 5.004 5.121 305 H ASN 48 H ASN 48 -4.528 2.534 4.114 306 HA ASN 48 HA ASN 48 -6.851 1.408 5.471 307 1HB ASN 48 1HB ASN 48 -5.831 0.230 3.369 308 2HB ASN 48 2HB ASN 48 -4.486 -0.213 4.432 309 1HD2 ASN 48 1HD2 ASN 48 -5.037 -2.396 4.094 310 2HD2 ASN 48 2HD2 ASN 48 -6.346 -3.155 4.938 311 HA PRO 49 HA PRO 49 -3.592 2.096 8.572 312 1HB PRO 49 1HB PRO 49 -5.200 3.122 10.529 313 2HB PRO 49 2HB PRO 49 -4.340 4.126 9.363 314 1HG PRO 49 1HG PRO 49 -7.190 3.370 9.480 315 2HG PRO 49 2HG PRO 49 -6.427 4.745 8.603 316 1HD PRO 49 1HD PRO 49 -7.415 2.280 7.535 317 2HD PRO 49 2HD PRO 49 -6.529 3.532 6.653 318 H ALA 50 H ALA 50 -4.849 -0.354 7.859 319 HA ALA 50 HA ALA 50 -4.962 -1.477 10.569 320 1HB ALA 50 1HB ALA 50 -6.987 -2.431 10.208 321 2HB ALA 50 2HB ALA 50 -7.164 -1.206 8.929 322 3HB ALA 50 3HB ALA 50 -6.596 -2.843 8.521 323 H ASP 51 H ASP 51 -3.292 -1.204 7.715 324 HA ASP 51 HA ASP 51 -2.816 -3.809 6.969 325 1HB ASP 51 1HB ASP 51 -0.467 -2.710 6.335 326 2HB ASP 51 2HB ASP 51 -1.942 -2.288 5.449 327 HD2 ASP 51 HD2 ASP 51 -1.138 0.518 8.092 328 H PHE 52 H PHE 52 -0.694 -1.574 8.935 329 HA PHE 52 HA PHE 52 0.532 -1.955 10.748 330 1HB PHE 52 1HB PHE 52 -0.339 -4.887 10.519 331 2HB PHE 52 2HB PHE 52 0.259 -4.088 11.977 332 HD1 PHE 52 1HD PHE 52 -1.352 -1.580 11.869 333 HD2 PHE 52 2HD PHE 52 -2.457 -5.615 11.158 334 HE1 PHE 52 1HE PHE 52 -3.715 -1.050 12.531 335 HE2 PHE 52 2HE PHE 52 -4.819 -5.085 11.819 336 HZ PHE 52 HZ PHE 52 -5.420 -2.809 12.498 337 H SER 53 H SER 53 0.616 -4.234 8.019 338 HA SER 53 HA SER 53 2.798 -5.643 8.307 339 1HB SER 53 1HB SER 53 1.866 -4.018 5.937 340 2HB SER 53 2HB SER 53 3.308 -5.040 5.804 341 HG SER 53 HG SER 53 2.072 -6.871 6.121 342 H SER 54 H SER 54 5.127 -5.406 7.950 343 HA SER 54 HA SER 54 6.072 -2.680 7.836 344 1HB SER 54 1HB SER 54 5.826 -3.240 10.255 345 2HB SER 54 2HB SER 54 6.924 -4.615 10.037 346 HG SER 54 HG SER 54 8.600 -3.123 9.451 347 H VAL 55 H VAL 55 8.249 -2.521 7.001 348 HA VAL 55 HA VAL 55 9.481 -5.070 6.262 349 HB VAL 55 HB VAL 55 8.195 -4.397 4.346 350 1HG1 VAL 55 1HG1 VAL 55 7.749 -2.113 4.591 351 2HG1 VAL 55 2HG1 VAL 55 9.466 -1.700 4.813 352 3HG1 VAL 55 3HG1 VAL 55 8.864 -2.169 3.204 353 1HG2 VAL 55 1HG2 VAL 55 9.898 -4.412 2.686 354 2HG2 VAL 55 2HG2 VAL 55 11.064 -3.613 3.769 355 3HG2 VAL 55 3HG2 VAL 55 10.559 -5.291 4.085 356 H THR 56 H THR 56 11.812 -4.609 5.402 357 HA THR 56 HA THR 56 12.930 -2.305 6.850 358 HB THR 56 HB THR 56 13.610 -5.263 7.020 359 HG1 THR 56 1HG THR 56 13.447 -4.622 9.247 360 1HG2 THR 56 1HG2 THR 56 15.424 -2.956 7.888 361 2HG2 THR 56 2HG2 THR 56 15.740 -4.696 8.085 362 3HG2 THR 56 3HG2 THR 56 15.745 -3.969 6.460 363 H ALA 57 H ALA 57 14.656 -1.254 5.893 364 HA ALA 57 HA ALA 57 14.803 -1.536 3.083 365 1HB ALA 57 1HB ALA 57 16.006 0.172 5.221 366 2HB ALA 57 2HB ALA 57 16.877 0.082 3.673 367 3HB ALA 57 3HB ALA 57 15.187 0.638 3.712 368 H ASP 58 H ASP 58 17.122 -1.633 2.015 369 HA ASP 58 HA ASP 58 18.622 -3.733 3.364 370 1HB ASP 58 1HB ASP 58 19.061 -4.612 0.969 371 2HB ASP 58 2HB ASP 58 17.476 -4.952 1.680 372 HD2 ASP 58 HD2 ASP 58 16.393 -3.835 -1.409 373 H ALA 59 H ALA 59 20.768 -3.069 3.567 374 HA ALA 59 HA ALA 59 22.427 -1.524 3.433 375 1HB ALA 59 1HB ALA 59 22.252 -3.241 0.999 376 2HB ALA 59 2HB ALA 59 23.418 -1.899 0.943 377 3HB ALA 59 3HB ALA 59 23.534 -3.125 2.227 378 H ASN 60 H ASN 60 21.610 -1.224 -0.040 379 HA ASN 60 HA ASN 60 22.045 1.330 -0.356 380 1HB ASN 60 1HB ASN 60 20.152 -0.600 -1.562 381 2HB ASN 60 2HB ASN 60 19.657 1.084 -1.801 382 1HD2 ASN 60 1HD2 ASN 60 20.597 2.243 -3.327 383 2HD2 ASN 60 2HD2 ASN 60 21.993 1.797 -4.250 384 H GLY 61 H GLY 61 18.981 -0.115 0.942 385 1HA GLY 61 1HA GLY 61 18.083 1.205 2.864 386 2HA GLY 61 2HA GLY 61 18.128 2.588 1.788 387 H SER 62 H SER 62 17.494 -0.030 -0.206 388 HA SER 62 HA SER 62 14.769 0.741 -0.412 389 1HB SER 62 1HB SER 62 14.935 -0.106 -2.498 390 2HB SER 62 2HB SER 62 16.668 -0.274 -2.162 391 HG SER 62 HG SER 62 14.584 -2.253 -2.048 392 H ALA 63 H ALA 63 12.912 -0.510 0.106 393 HA ALA 63 HA ALA 63 13.278 -2.386 2.207 394 1HB ALA 63 1HB ALA 63 10.996 -2.159 2.496 395 2HB ALA 63 2HB ALA 63 11.341 -0.653 1.615 396 3HB ALA 63 3HB ALA 63 10.674 -2.059 0.749 397 H SER 64 H SER 64 12.362 -4.627 2.177 398 HA SER 64 HA SER 64 11.974 -5.821 -0.362 399 1HB SER 64 1HB SER 64 13.881 -7.486 -0.031 400 2HB SER 64 2HB SER 64 14.360 -5.854 -0.531 401 HG SER 64 HG SER 64 14.475 -5.605 2.016 402 H THR 65 H THR 65 10.142 -6.940 0.244 403 HA THR 65 HA THR 65 10.295 -9.173 1.891 404 HB THR 65 HB THR 65 10.494 -7.126 3.570 405 HG1 THR 65 1HG THR 65 9.191 -8.530 5.008 406 1HG2 THR 65 1HG2 THR 65 8.299 -6.374 4.398 407 2HG2 THR 65 2HG2 THR 65 8.431 -5.939 2.676 408 3HG2 THR 65 3HG2 THR 65 7.465 -7.352 3.166 409 H SER 66 H SER 66 7.922 -9.911 2.522 410 HA SER 66 HA SER 66 6.479 -9.576 0.056 411 1HB SER 66 1HB SER 66 5.778 -11.377 2.400 412 2HB SER 66 2HB SER 66 5.232 -11.538 0.722 413 HG SER 66 HG SER 66 7.210 -12.316 0.115 414 H LEU 67 H LEU 67 4.889 -8.042 -0.107 415 HA LEU 67 HA LEU 67 3.624 -7.174 2.391 416 1HB LEU 67 1HB LEU 67 4.358 -5.837 -0.157 417 2HB LEU 67 2HB LEU 67 2.918 -5.260 0.702 418 HG LEU 67 HG LEU 67 4.276 -4.795 2.679 419 1HD1 LEU 67 1HD1 LEU 67 6.589 -5.154 2.845 420 2HD1 LEU 67 2HD1 LEU 67 5.941 -6.664 2.161 421 3HD1 LEU 67 3HD1 LEU 67 6.755 -5.486 1.103 422 1HD2 LEU 67 1HD2 LEU 67 5.991 -3.198 1.250 423 2HD2 LEU 67 2HD2 LEU 67 4.698 -3.522 0.070 424 3HD2 LEU 67 3HD2 LEU 67 4.301 -2.810 1.653 425 H THR 68 H THR 68 1.360 -7.127 2.586 426 HA THR 68 HA THR 68 0.013 -8.900 0.701 427 HB THR 68 HB THR 68 -0.195 -9.459 3.067 428 HG1 THR 68 1HG THR 68 -2.525 -7.885 2.241 429 1HG2 THR 68 1HG2 THR 68 -0.264 -6.573 3.407 430 2HG2 THR 68 2HG2 THR 68 -1.768 -7.268 4.057 431 3HG2 THR 68 3HG2 THR 68 -0.193 -7.829 4.667 432 H VAL 69 H VAL 69 -0.547 -7.830 -1.134 433 HA VAL 69 HA VAL 69 -1.529 -5.142 -0.978 434 HB VAL 69 HB VAL 69 -1.838 -6.828 -3.412 435 1HG1 VAL 69 1HG1 VAL 69 -2.246 -4.727 -4.109 436 2HG1 VAL 69 2HG1 VAL 69 -1.448 -3.998 -2.694 437 3HG1 VAL 69 3HG1 VAL 69 -0.476 -4.538 -4.085 438 1HG2 VAL 69 1HG2 VAL 69 0.685 -6.278 -3.844 439 2HG2 VAL 69 2HG2 VAL 69 0.789 -6.243 -2.067 440 3HG2 VAL 69 3HG2 VAL 69 0.242 -7.720 -2.898 441 H ARG 70 H ARG 70 -3.207 -5.952 0.717 442 HA ARG 70 HA ARG 70 -5.299 -7.542 -0.120 443 1HB ARG 70 1HB ARG 70 -6.556 -6.248 1.771 444 2HB ARG 70 2HB ARG 70 -5.123 -7.184 2.224 445 1HG ARG 70 1HG ARG 70 -4.315 -4.534 1.400 446 2HG ARG 70 2HG ARG 70 -5.604 -4.388 2.608 447 1HD ARG 70 1HD ARG 70 -4.163 -4.952 4.254 448 2HD ARG 70 2HD ARG 70 -3.734 -6.456 3.426 449 HE ARG 70 HE ARG 70 -2.299 -4.620 2.008 450 1HH1 ARG 70 1HH1 ARG 70 -2.652 -5.113 5.475 451 2HH1 ARG 70 2HH1 ARG 70 -1.076 -4.502 5.852 452 1HH2 ARG 70 1HH2 ARG 70 -0.219 -3.814 2.505 453 2HH2 ARG 70 2HH2 ARG 70 0.317 -3.758 4.151 454 H ARG 71 H ARG 71 -7.377 -7.049 -1.016 455 HA ARG 71 HA ARG 71 -7.500 -4.375 -2.152 456 1HB ARG 71 1HB ARG 71 -9.330 -5.723 -3.620 457 2HB ARG 71 2HB ARG 71 -7.608 -5.717 -4.043 458 1HG ARG 71 1HG ARG 71 -7.331 -7.908 -3.449 459 2HG ARG 71 2HG ARG 71 -8.433 -7.793 -2.066 460 1HD ARG 71 1HD ARG 71 -10.300 -8.293 -3.351 461 2HD ARG 71 2HD ARG 71 -9.616 -7.600 -4.830 462 HE ARG 71 HE ARG 71 -7.977 -9.735 -4.432 463 1HH1 ARG 71 1HH1 ARG 71 -11.484 -9.478 -4.321 464 2HH1 ARG 71 2HH1 ARG 71 -11.748 -11.115 -4.819 465 1HH2 ARG 71 1HH2 ARG 71 -8.323 -11.896 -5.090 466 2HH2 ARG 71 2HH2 ARG 71 -9.937 -12.500 -5.260 467 H SER 72 H SER 72 -9.869 -7.046 -1.414 468 HA SER 72 HA SER 72 -11.942 -5.294 -0.891 469 1HB SER 72 1HB SER 72 -11.728 -7.971 -1.259 470 2HB SER 72 2HB SER 72 -11.955 -7.943 0.500 471 HG SER 72 HG SER 72 -13.694 -6.302 -1.016 472 H PHE 73 H PHE 73 -11.766 -3.724 0.695 473 HA PHE 73 HA PHE 73 -11.533 -4.641 3.408 474 1HB PHE 73 1HB PHE 73 -9.562 -3.305 3.898 475 2HB PHE 73 2HB PHE 73 -9.156 -4.211 2.438 476 HD1 PHE 73 1HD PHE 73 -7.589 -1.889 3.104 477 HD2 PHE 73 2HD PHE 73 -11.281 -2.097 1.023 478 HE1 PHE 73 1HE PHE 73 -7.050 0.265 1.935 479 HE2 PHE 73 2HE PHE 73 -10.742 0.058 -0.147 480 HZ PHE 73 HZ PHE 73 -8.634 1.213 0.323 481 H GLU 74 H GLU 74 -10.995 -2.020 4.525 482 HA GLU 74 HA GLU 74 -13.385 -0.641 3.572 483 1HB GLU 74 1HB GLU 74 -13.409 0.260 6.015 484 2HB GLU 74 2HB GLU 74 -13.968 -1.395 5.725 485 1HG GLU 74 1HG GLU 74 -11.051 -1.093 6.232 486 2HG GLU 74 2HG GLU 74 -12.090 -0.695 7.607 487 HE2 GLU 74 HE2 GLU 74 -11.429 -4.415 6.894 488 H GLY 75 H GLY 75 -12.633 1.031 2.311 489 1HA GLY 75 1HA GLY 75 -10.126 2.282 2.691 490 2HA GLY 75 2HA GLY 75 -11.440 2.827 1.669 491 H PHE 76 H PHE 76 -9.533 3.752 4.215 492 HA PHE 76 HA PHE 76 -11.664 5.124 5.653 493 1HB PHE 76 1HB PHE 76 -8.647 4.701 6.019 494 2HB PHE 76 2HB PHE 76 -9.595 5.704 7.123 495 HD1 PHE 76 1HD PHE 76 -9.139 2.260 5.853 496 HD2 PHE 76 2HD PHE 76 -10.879 4.714 8.846 497 HE1 PHE 76 1HE PHE 76 -9.704 0.217 7.199 498 HE2 PHE 76 2HE PHE 76 -11.443 2.672 10.193 499 HZ PHE 76 HZ PHE 76 -10.848 0.448 9.352 500 H LEU 77 H LEU 77 -12.196 7.185 5.125 501 HA LEU 77 HA LEU 77 -11.481 8.697 3.173 502 1HB LEU 77 1HB LEU 77 -11.690 9.678 6.015 503 2HB LEU 77 2HB LEU 77 -11.791 10.713 4.578 504 HG LEU 77 HG LEU 77 -13.678 8.535 4.385 505 1HD1 LEU 77 1HD1 LEU 77 -14.483 10.266 6.659 506 2HD1 LEU 77 2HD1 LEU 77 -14.878 8.567 6.303 507 3HD1 LEU 77 3HD1 LEU 77 -13.296 8.984 7.003 508 1HD2 LEU 77 1HD2 LEU 77 -14.432 10.218 3.121 509 2HD2 LEU 77 2HD2 LEU 77 -15.136 10.847 4.631 510 3HD2 LEU 77 3HD2 LEU 77 -13.560 11.450 4.064 511 H PHE 78 H PHE 78 -9.673 9.474 6.212 512 HA PHE 78 HA PHE 78 -7.560 9.992 6.565 513 1HB PHE 78 1HB PHE 78 -7.388 7.703 5.268 514 2HB PHE 78 2HB PHE 78 -6.925 8.678 3.869 515 HD1 PHE 78 1HD PHE 78 -5.905 7.456 7.164 516 HD2 PHE 78 2HD PHE 78 -4.764 9.779 3.802 517 HE1 PHE 78 1HE PHE 78 -3.522 7.431 7.955 518 HE2 PHE 78 2HE PHE 78 -2.382 9.754 4.592 519 HZ PHE 78 HZ PHE 78 -1.790 8.581 6.660 520 H ASP 79 H ASP 79 -9.405 11.302 4.210 521 HA ASP 79 HA ASP 79 -7.778 13.547 3.978 522 1HB ASP 79 1HB ASP 79 -6.837 11.740 2.264 523 2HB ASP 79 2HB ASP 79 -8.214 12.255 1.279 524 HD2 ASP 79 HD2 ASP 79 -5.290 14.258 0.451 525 H GLY 80 H GLY 80 -10.395 11.443 2.694 526 1HA GLY 80 1HA GLY 80 -12.558 12.912 3.135 527 2HA GLY 80 2HA GLY 80 -11.931 13.717 1.711 528 H THR 81 H THR 81 -12.161 10.246 2.794 529 HA THR 81 HA THR 81 -13.951 9.663 0.608 530 HB THR 81 HB THR 81 -11.287 9.626 -0.032 531 HG1 THR 81 1HG THR 81 -12.127 8.203 -1.709 532 1HG2 THR 81 1HG2 THR 81 -10.749 7.795 1.591 533 2HG2 THR 81 2HG2 THR 81 -12.039 6.797 0.876 534 3HG2 THR 81 3HG2 THR 81 -10.605 7.224 -0.089 535 H ARG 82 H ARG 82 -15.519 8.738 1.795 536 HA ARG 82 HA ARG 82 -14.637 6.855 3.814 537 1HB ARG 82 1HB ARG 82 -16.276 8.793 4.315 538 2HB ARG 82 2HB ARG 82 -17.483 7.874 3.402 539 1HG ARG 82 1HG ARG 82 -17.373 6.039 4.951 540 2HG ARG 82 2HG ARG 82 -15.923 6.689 5.737 541 1HD ARG 82 1HD ARG 82 -17.629 8.788 6.074 542 2HD ARG 82 2HD ARG 82 -18.797 7.458 6.067 543 HE ARG 82 HE ARG 82 -16.704 6.652 7.767 544 1HH1 ARG 82 1HH1 ARG 82 -19.047 9.276 7.652 545 2HH1 ARG 82 2HH1 ARG 82 -19.106 9.470 9.372 546 1HH2 ARG 82 1HH2 ARG 82 -16.782 6.908 10.037 547 2HH2 ARG 82 2HH2 ARG 82 -17.809 8.114 10.738 548 H TRP 83 H TRP 83 -14.322 4.886 2.727 549 HA TRP 83 HA TRP 83 -16.437 4.028 0.896 550 1HB TRP 83 1HB TRP 83 -13.597 3.116 1.319 551 2HB TRP 83 2HB TRP 83 -14.753 2.244 0.309 552 HD1 TRP 83 HD TRP 83 -12.035 4.527 -0.198 553 HE1 TRP 83 1HE TRP 83 -12.188 5.999 -2.383 554 HE3 TRP 83 3HE TRP 83 -16.988 3.724 -1.025 555 HZ2 TRP 83 2HZ TRP 83 -14.315 6.649 -4.171 556 HZ3 TRP 83 3HZ TRP 83 -18.025 4.813 -3.013 557 HH2 TRP 83 HH TRP 83 -16.773 6.234 -4.558 558 H GLY 84 H GLY 84 -14.413 1.593 2.341 559 1HA GLY 84 1HA GLY 84 -14.917 0.637 4.554 560 2HA GLY 84 2HA GLY 84 -16.614 0.845 4.174 561 H THR 85 H THR 85 -17.112 -1.401 4.323 562 HA THR 85 HA THR 85 -15.697 -3.465 3.179 563 HB THR 85 HB THR 85 -18.667 -3.011 3.740 564 HG1 THR 85 1HG THR 85 -17.975 -4.269 5.602 565 1HG2 THR 85 1HG2 THR 85 -19.144 -5.246 3.272 566 2HG2 THR 85 2HG2 THR 85 -17.894 -4.983 2.032 567 3HG2 THR 85 3HG2 THR 85 -17.469 -5.767 3.572 568 H VAL 86 H VAL 86 -14.815 -2.436 1.209 569 HA VAL 86 HA VAL 86 -16.594 -3.063 -1.011 570 HB VAL 86 HB VAL 86 -16.464 -0.522 -0.286 571 1HG1 VAL 86 1HG1 VAL 86 -13.921 -0.589 -0.434 572 2HG1 VAL 86 2HG1 VAL 86 -14.121 -0.666 -2.201 573 3HG1 VAL 86 3HG1 VAL 86 -14.728 0.742 -1.297 574 1HG2 VAL 86 1HG2 VAL 86 -16.423 -0.106 -2.961 575 2HG2 VAL 86 2HG2 VAL 86 -16.674 -1.867 -2.925 576 3HG2 VAL 86 3HG2 VAL 86 -17.815 -0.788 -2.088 577 H ASP 87 H ASP 87 -15.298 -3.223 -3.107 578 HA ASP 87 HA ASP 87 -12.882 -4.621 -2.447 579 1HB ASP 87 1HB ASP 87 -13.531 -4.309 -5.303 580 2HB ASP 87 2HB ASP 87 -13.286 -5.792 -4.368 581 HD2 ASP 87 HD2 ASP 87 -16.704 -6.176 -3.847 582 H CYS 88 H CYS 88 -10.863 -3.630 -2.635 583 HA CYS 88 HA CYS 88 -10.608 -0.973 -3.371 584 1HB CYS 88 1HB CYS 88 -8.946 -3.083 -2.408 585 2HB CYS 88 2HB CYS 88 -8.097 -2.240 -3.720 586 H THR 89 H THR 89 -10.524 -4.024 -5.196 587 HA THR 89 HA THR 89 -9.144 -3.276 -7.458 588 HB THR 89 HB THR 89 -9.869 -5.572 -7.044 589 HG1 THR 89 1HG THR 89 -9.803 -5.041 -9.285 590 1HG2 THR 89 1HG2 THR 89 -12.649 -4.322 -7.108 591 2HG2 THR 89 2HG2 THR 89 -12.405 -6.036 -7.517 592 3HG2 THR 89 3HG2 THR 89 -11.971 -5.437 -5.898 593 H THR 90 H THR 90 -12.087 -1.945 -6.216 594 HA THR 90 HA THR 90 -12.867 -0.947 -8.846 595 HB THR 90 HB THR 90 -14.127 -1.415 -6.184 596 HG1 THR 90 1HG THR 90 -15.357 -2.423 -7.722 597 1HG2 THR 90 1HG2 THR 90 -15.842 0.293 -6.462 598 2HG2 THR 90 2HG2 THR 90 -14.275 1.136 -6.463 599 3HG2 THR 90 3HG2 THR 90 -15.126 0.836 -7.997 600 H ALA 91 H ALA 91 -10.880 -0.072 -6.177 601 HA ALA 91 HA ALA 91 -10.891 2.693 -7.171 602 1HB ALA 91 1HB ALA 91 -11.144 1.606 -4.396 603 2HB ALA 91 2HB ALA 91 -10.116 3.042 -4.617 604 3HB ALA 91 3HB ALA 91 -11.825 3.087 -5.110 605 H ALA 92 H ALA 92 -9.306 -0.048 -7.489 606 HA ALA 92 HA ALA 92 -7.180 -0.737 -7.531 607 1HB ALA 92 1HB ALA 92 -7.379 0.771 -9.483 608 2HB ALA 92 2HB ALA 92 -6.827 2.135 -8.482 609 3HB ALA 92 3HB ALA 92 -5.727 0.779 -8.822 610 H CYS 93 H CYS 93 -6.750 -1.144 -5.313 611 HA CYS 93 HA CYS 93 -6.087 0.857 -3.498 612 1HB CYS 93 1HB CYS 93 -6.268 -1.990 -3.556 613 2HB CYS 93 2HB CYS 93 -4.759 -1.529 -2.746 614 H GLN 94 H GLN 94 -3.660 0.381 -2.337 615 HA GLN 94 HA GLN 94 -1.630 0.090 -4.301 616 1HB GLN 94 1HB GLN 94 -0.709 2.304 -4.230 617 2HB GLN 94 2HB GLN 94 -2.426 2.480 -4.628 618 1HG GLN 94 1HG GLN 94 -2.214 2.497 -1.778 619 2HG GLN 94 2HG GLN 94 -0.947 3.574 -2.387 620 1HE2 GLN 94 1HE2 GLN 94 -1.497 5.355 -3.656 621 2HE2 GLN 94 2HE2 GLN 94 -3.088 6.042 -3.664 622 H VAL 95 H VAL 95 0.418 -0.329 -3.332 623 HA VAL 95 HA VAL 95 0.483 -0.112 -0.412 624 HB VAL 95 HB VAL 95 -0.191 -2.413 -1.289 625 1HG1 VAL 95 1HG1 VAL 95 1.423 -3.839 -2.250 626 2HG1 VAL 95 2HG1 VAL 95 1.564 -2.313 -3.155 627 3HG1 VAL 95 3HG1 VAL 95 2.756 -2.714 -1.896 628 1HG2 VAL 95 1HG2 VAL 95 1.080 -1.654 0.957 629 2HG2 VAL 95 2HG2 VAL 95 0.670 -3.349 0.599 630 3HG2 VAL 95 3HG2 VAL 95 2.315 -2.746 0.284 631 H GLY 96 H GLY 96 2.276 0.952 0.253 632 1HA GLY 96 1HA GLY 96 4.712 0.725 -1.375 633 2HA GLY 96 2HA GLY 96 4.047 2.316 -1.061 634 H LEU 97 H LEU 97 6.253 2.592 0.005 635 HA LEU 97 HA LEU 97 6.590 1.206 2.507 636 1HB LEU 97 1HB LEU 97 8.703 1.759 2.296 637 2HB LEU 97 2HB LEU 97 8.289 2.298 0.659 638 HG LEU 97 HG LEU 97 9.563 4.030 1.596 639 1HD1 LEU 97 1HD1 LEU 97 7.081 5.383 2.344 640 2HD1 LEU 97 2HD1 LEU 97 8.219 5.713 1.016 641 3HD1 LEU 97 3HD1 LEU 97 6.954 4.478 0.816 642 1HD2 LEU 97 1HD2 LEU 97 8.594 3.069 4.071 643 2HD2 LEU 97 2HD2 LEU 97 9.839 4.307 3.778 644 3HD2 LEU 97 3HD2 LEU 97 8.135 4.785 3.970 645 H SER 98 H SER 98 6.801 2.355 4.590 646 HA SER 98 HA SER 98 5.667 4.969 4.704 647 1HB SER 98 1HB SER 98 3.963 2.689 5.000 648 2HB SER 98 2HB SER 98 4.132 3.432 6.600 649 HG SER 98 HG SER 98 3.604 5.071 4.307 650 H ASP 99 H ASP 99 6.904 6.013 6.220 651 HA ASP 99 HA ASP 99 8.300 4.353 8.123 652 1HB ASP 99 1HB ASP 99 9.034 7.036 8.533 653 2HB ASP 99 2HB ASP 99 9.945 5.829 7.613 654 HD2 ASP 99 HD2 ASP 99 9.679 8.008 4.988 655 H ALA 100 H ALA 100 8.603 5.625 10.405 656 HA ALA 100 HA ALA 100 5.909 6.111 11.353 657 1HB ALA 100 1HB ALA 100 7.461 4.561 12.530 658 2HB ALA 100 2HB ALA 100 8.565 5.925 12.833 659 3HB ALA 100 3HB ALA 100 6.943 5.912 13.565 660 H ALA 101 H ALA 101 7.306 8.051 9.523 661 HA ALA 101 HA ALA 101 6.875 10.375 11.206 662 1HB ALA 101 1HB ALA 101 9.437 10.010 9.603 663 2HB ALA 101 2HB ALA 101 8.997 11.400 10.623 664 3HB ALA 101 3HB ALA 101 9.319 9.816 11.368 665 H GLY 102 H GLY 102 7.650 8.940 7.987 666 1HA GLY 102 1HA GLY 102 6.611 11.231 6.570 667 2HA GLY 102 2HA GLY 102 7.205 9.727 5.895 668 H ASN 103 H ASN 103 5.725 7.699 6.672 669 HA ASN 103 HA ASN 103 3.857 6.719 6.056 670 1HB ASN 103 1HB ASN 103 2.271 6.869 7.749 671 2HB ASN 103 2HB ASN 103 3.574 7.781 8.525 672 1HD2 ASN 103 1HD2 ASN 103 0.372 7.752 7.682 673 2HD2 ASN 103 2HD2 ASN 103 -0.008 9.439 7.779 674 H GLY 104 H GLY 104 1.106 7.680 5.961 675 1HA GLY 104 1HA GLY 104 -0.289 9.158 4.865 676 2HA GLY 104 2HA GLY 104 1.092 9.977 4.164 677 HA PRO 105 HA PRO 105 -0.653 7.233 0.970 678 1HB PRO 105 1HB PRO 105 -1.238 9.140 -0.895 679 2HB PRO 105 2HB PRO 105 -2.425 8.512 0.246 680 1HG PRO 105 1HG PRO 105 -0.963 11.074 0.248 681 2HG PRO 105 2HG PRO 105 -2.486 10.650 1.110 682 1HD PRO 105 1HD PRO 105 0.154 10.918 2.185 683 2HD PRO 105 2HD PRO 105 -1.281 10.343 3.043 684 H GLU 106 H GLU 106 0.857 6.056 -0.007 685 HA GLU 106 HA GLU 106 2.430 7.298 -1.952 686 1HB GLU 106 1HB GLU 106 3.505 7.270 0.757 687 2HB GLU 106 2HB GLU 106 4.546 6.348 -0.341 688 1HG GLU 106 1HG GLU 106 3.503 9.035 -1.219 689 2HG GLU 106 2HG GLU 106 4.835 8.988 -0.053 690 HE2 GLU 106 HE2 GLU 106 7.045 8.395 -2.598 691 H GLY 107 H GLY 107 0.604 5.026 -1.566 692 1HA GLY 107 1HA GLY 107 2.327 2.670 -1.680 693 2HA GLY 107 2HA GLY 107 0.576 2.712 -1.622 694 H VAL 108 H VAL 108 2.274 1.191 -3.494 695 HA VAL 108 HA VAL 108 2.104 2.590 -6.003 696 HB VAL 108 HB VAL 108 3.960 1.080 -5.419 697 1HG1 VAL 108 1HG1 VAL 108 3.672 -0.984 -4.613 698 2HG1 VAL 108 2HG1 VAL 108 1.929 -0.635 -4.528 699 3HG1 VAL 108 3HG1 VAL 108 2.607 -1.431 -5.968 700 1HG2 VAL 108 1HG2 VAL 108 2.385 -0.028 -7.760 701 2HG2 VAL 108 2HG2 VAL 108 3.227 1.539 -7.795 702 3HG2 VAL 108 3HG2 VAL 108 4.152 0.036 -7.559 703 H ALA 109 H ALA 109 0.216 2.816 -7.075 704 HA ALA 109 HA ALA 109 -2.072 1.330 -6.378 705 1HB ALA 109 1HB ALA 109 -1.281 3.436 -8.323 706 2HB ALA 109 2HB ALA 109 -2.676 2.435 -8.795 707 3HB ALA 109 3HB ALA 109 -2.706 3.335 -7.261 708 H ILE 110 H ILE 110 -2.416 -0.786 -6.814 709 HA ILE 110 HA ILE 110 -1.413 -1.769 -9.395 710 HB ILE 110 HB ILE 110 -1.420 -3.117 -6.698 711 1HG1 ILE 110 1HG1 ILE 110 0.857 -2.673 -8.633 712 2HG1 ILE 110 2HG1 ILE 110 0.467 -1.551 -7.318 713 1HG2 ILE 110 1HG2 ILE 110 -2.265 -4.651 -8.454 714 2HG2 ILE 110 2HG2 ILE 110 -0.766 -4.380 -9.373 715 3HG2 ILE 110 3HG2 ILE 110 -0.700 -5.152 -7.770 716 1HD1 ILE 110 1HD1 ILE 110 2.261 -3.269 -6.773 717 2HD1 ILE 110 2HD1 ILE 110 0.879 -3.267 -5.651 718 3HD1 ILE 110 3HD1 ILE 110 1.006 -4.525 -6.903 719 H SER 111 H SER 111 -2.731 -3.460 -10.400 720 HA SER 111 HA SER 111 -5.494 -2.906 -9.917 721 1HB SER 111 1HB SER 111 -3.879 -3.742 -12.125 722 2HB SER 111 2HB SER 111 -5.113 -4.989 -11.876 723 HG SER 111 HG SER 111 -6.555 -3.658 -12.715 724 H PHE 112 H PHE 112 -6.732 -4.099 -8.519 725 HA PHE 112 HA PHE 112 -5.713 -6.715 -7.736 726 1HB PHE 112 1HB PHE 112 -7.967 -4.907 -6.688 727 2HB PHE 112 2HB PHE 112 -7.386 -6.361 -5.870 728 HD1 PHE 112 1HD PHE 112 -6.261 -3.015 -7.053 729 HD2 PHE 112 2HD PHE 112 -5.685 -6.185 -4.292 730 HE1 PHE 112 1HE PHE 112 -4.583 -1.625 -5.808 731 HE2 PHE 112 2HE PHE 112 -4.006 -4.795 -3.047 732 HZ PHE 112 HZ PHE 112 -3.474 -2.532 -3.820 733 H ASN 113 H ASN 113 -6.673 -8.594 -8.379 734 HA ASN 113 HA ASN 113 -7.998 -9.931 -9.463 735 1HB ASN 113 1HB ASN 113 -9.625 -8.493 -7.566 736 2HB ASN 113 2HB ASN 113 -10.616 -8.787 -9.003 737 1HD2 ASN 113 1HD2 ASN 113 -11.815 -10.499 -8.730 738 2HD2 ASN 113 2HD2 ASN 113 -11.349 -12.010 -8.026 Start of MODEL 44 1 H ALA 1 H ALA 1 7.361 11.404 -7.866 2 HA ALA 1 HA ALA 1 10.125 11.371 -8.611 3 1HB ALA 1 1HB ALA 1 10.673 13.592 -8.346 4 2HB ALA 1 2HB ALA 1 9.029 13.789 -8.999 5 3HB ALA 1 3HB ALA 1 9.312 13.911 -7.245 6 H ALA 2 H ALA 2 11.505 11.723 -6.552 7 HA ALA 2 HA ALA 2 11.898 11.402 -4.378 8 1HB ALA 2 1HB ALA 2 9.244 12.322 -4.340 9 2HB ALA 2 2HB ALA 2 9.218 10.825 -3.378 10 3HB ALA 2 3HB ALA 2 10.331 12.143 -2.941 11 HA PRO 3 HA PRO 3 11.809 7.089 -4.013 12 1HB PRO 3 1HB PRO 3 11.834 6.577 -1.329 13 2HB PRO 3 2HB PRO 3 13.268 7.058 -2.233 14 1HG PRO 3 1HG PRO 3 11.556 8.629 -0.415 15 2HG PRO 3 2HG PRO 3 13.247 8.965 -0.937 16 1HD PRO 3 1HD PRO 3 10.830 10.231 -1.804 17 2HD PRO 3 2HD PRO 3 12.451 10.488 -2.464 18 H THR 4 H THR 4 10.743 5.028 -3.338 19 HA THR 4 HA THR 4 8.288 5.061 -2.059 20 HB THR 4 HB THR 4 7.103 4.712 -4.544 21 HG1 THR 4 1HG THR 4 8.878 5.543 -5.717 22 1HG2 THR 4 1HG2 THR 4 7.031 6.684 -2.430 23 2HG2 THR 4 2HG2 THR 4 7.068 7.546 -3.987 24 3HG2 THR 4 3HG2 THR 4 5.787 6.355 -3.660 25 H ALA 5 H ALA 5 7.143 2.991 -2.232 26 HA ALA 5 HA ALA 5 9.059 0.917 -2.987 27 1HB ALA 5 1HB ALA 5 6.882 1.231 -0.958 28 2HB ALA 5 2HB ALA 5 7.156 -0.402 -1.614 29 3HB ALA 5 3HB ALA 5 8.484 0.468 -0.807 30 H THR 6 H THR 6 7.947 -1.193 -3.811 31 HA THR 6 HA THR 6 5.552 -0.722 -5.360 32 HB THR 6 HB THR 6 6.611 -1.057 -7.519 33 HG1 THR 6 1HG THR 6 8.850 -1.709 -7.534 34 1HG2 THR 6 1HG2 THR 6 8.310 0.738 -7.661 35 2HG2 THR 6 2HG2 THR 6 6.975 1.276 -6.615 36 3HG2 THR 6 3HG2 THR 6 8.504 0.721 -5.892 37 H VAL 7 H VAL 7 4.702 -2.708 -6.330 38 HA VAL 7 HA VAL 7 5.623 -5.013 -4.766 39 HB VAL 7 HB VAL 7 2.962 -4.145 -5.862 40 1HG1 VAL 7 1HG1 VAL 7 3.667 -6.946 -4.919 41 2HG1 VAL 7 2HG1 VAL 7 2.032 -6.347 -5.289 42 3HG1 VAL 7 3HG1 VAL 7 3.249 -6.472 -6.582 43 1HG2 VAL 7 1HG2 VAL 7 3.241 -5.353 -3.171 44 2HG2 VAL 7 2HG2 VAL 7 4.091 -3.807 -3.412 45 3HG2 VAL 7 3HG2 VAL 7 2.338 -3.912 -3.700 46 H THR 8 H THR 8 6.763 -6.535 -5.836 47 HA THR 8 HA THR 8 7.603 -6.509 -8.351 48 HB THR 8 HB THR 8 6.972 -8.645 -6.346 49 HG1 THR 8 1HG THR 8 9.270 -8.843 -6.710 50 1HG2 THR 8 1HG2 THR 8 7.618 -10.465 -7.827 51 2HG2 THR 8 2HG2 THR 8 6.247 -9.640 -8.610 52 3HG2 THR 8 3HG2 THR 8 7.909 -9.339 -9.174 53 HA PRO 9 HA PRO 9 3.844 -8.563 -10.208 54 1HB PRO 9 1HB PRO 9 1.779 -9.458 -8.659 55 2HB PRO 9 2HB PRO 9 3.113 -10.488 -9.176 56 1HG PRO 9 1HG PRO 9 2.586 -9.240 -6.555 57 2HG PRO 9 2HG PRO 9 3.646 -10.643 -6.938 58 1HD PRO 9 1HD PRO 9 4.407 -7.949 -6.332 59 2HD PRO 9 2HD PRO 9 5.478 -9.255 -6.858 60 H SER 10 H SER 10 1.090 -8.327 -10.128 61 HA SER 10 HA SER 10 0.497 -5.751 -9.119 62 1HB SER 10 1HB SER 10 1.791 -5.578 -11.465 63 2HB SER 10 2HB SER 10 0.161 -5.869 -12.101 64 HG SER 10 HG SER 10 0.660 -3.586 -11.832 65 H SER 11 H SER 11 -0.512 -8.437 -8.780 66 HA SER 11 HA SER 11 -3.196 -7.972 -9.757 67 1HB SER 11 1HB SER 11 -1.574 -9.851 -10.966 68 2HB SER 11 2HB SER 11 -2.429 -10.832 -9.765 69 HG SER 11 HG SER 11 -3.578 -9.160 -11.831 70 H GLY 12 H GLY 12 -3.937 -7.443 -7.666 71 1HA GLY 12 1HA GLY 12 -3.173 -8.906 -5.346 72 2HA GLY 12 2HA GLY 12 -4.452 -7.717 -5.485 73 H LEU 13 H LEU 13 -5.005 -9.891 -7.979 74 HA LEU 13 HA LEU 13 -7.302 -10.832 -7.614 75 1HB LEU 13 1HB LEU 13 -5.286 -13.022 -7.818 76 2HB LEU 13 2HB LEU 13 -6.806 -12.800 -8.703 77 HG LEU 13 HG LEU 13 -4.250 -11.221 -9.106 78 1HD1 LEU 13 1HD1 LEU 13 -3.813 -13.346 -9.976 79 2HD1 LEU 13 2HD1 LEU 13 -5.471 -13.542 -10.591 80 3HD1 LEU 13 3HD1 LEU 13 -4.358 -12.401 -11.383 81 1HD2 LEU 13 1HD2 LEU 13 -6.042 -10.937 -11.288 82 2HD2 LEU 13 2HD2 LEU 13 -6.953 -10.597 -9.797 83 3HD2 LEU 13 3HD2 LEU 13 -5.463 -9.692 -10.155 84 H SER 14 H SER 14 -4.682 -12.531 -5.744 85 HA SER 14 HA SER 14 -6.629 -13.679 -4.044 86 1HB SER 14 1HB SER 14 -4.812 -15.072 -4.166 87 2HB SER 14 2HB SER 14 -3.652 -13.741 -4.328 88 HG SER 14 HG SER 14 -3.644 -13.448 -2.109 89 H ASP 15 H ASP 15 -7.784 -12.122 -2.863 90 HA ASP 15 HA ASP 15 -6.951 -9.767 -1.954 91 1HB ASP 15 1HB ASP 15 -8.688 -9.909 -0.261 92 2HB ASP 15 2HB ASP 15 -9.254 -10.757 -1.707 93 HD2 ASP 15 HD2 ASP 15 -9.216 -12.649 1.668 94 H GLY 16 H GLY 16 -5.025 -9.337 -0.849 95 1HA GLY 16 1HA GLY 16 -3.797 -9.255 1.109 96 2HA GLY 16 2HA GLY 16 -4.557 -10.729 1.675 97 H THR 17 H THR 17 -3.188 -10.332 -1.616 98 HA THR 17 HA THR 17 -1.543 -12.643 -1.226 99 HB THR 17 HB THR 17 -2.625 -12.310 -3.374 100 HG1 THR 17 1HG THR 17 -0.475 -13.066 -3.643 101 1HG2 THR 17 1HG2 THR 17 -1.311 -9.556 -3.241 102 2HG2 THR 17 2HG2 THR 17 -1.824 -10.280 -4.784 103 3HG2 THR 17 3HG2 THR 17 -3.028 -9.932 -3.519 104 H VAL 18 H VAL 18 0.018 -12.321 0.325 105 HA VAL 18 HA VAL 18 1.551 -9.950 0.427 106 HB VAL 18 HB VAL 18 2.445 -12.599 1.516 107 1HG1 VAL 18 1HG1 VAL 18 2.615 -10.656 3.485 108 2HG1 VAL 18 2HG1 VAL 18 3.940 -11.200 2.429 109 3HG1 VAL 18 3HG1 VAL 18 2.987 -9.760 1.993 110 1HG2 VAL 18 1HG2 VAL 18 0.315 -12.872 2.285 111 2HG2 VAL 18 2HG2 VAL 18 0.900 -11.757 3.544 112 3HG2 VAL 18 3HG2 VAL 18 -0.066 -11.135 2.185 113 H VAL 19 H VAL 19 2.054 -9.777 -1.927 114 HA VAL 19 HA VAL 19 3.895 -11.727 -2.974 115 HB VAL 19 HB VAL 19 3.937 -9.903 -4.841 116 1HG1 VAL 19 1HG1 VAL 19 1.510 -10.759 -5.490 117 2HG1 VAL 19 2HG1 VAL 19 2.910 -11.858 -5.477 118 3HG1 VAL 19 3HG1 VAL 19 1.777 -11.843 -4.104 119 1HG2 VAL 19 1HG2 VAL 19 2.783 -8.252 -3.212 120 2HG2 VAL 19 2HG2 VAL 19 2.209 -8.328 -4.895 121 3HG2 VAL 19 3HG2 VAL 19 1.291 -9.142 -3.605 122 H LYS 20 H LYS 20 6.022 -10.911 -3.968 123 HA LYS 20 HA LYS 20 7.583 -9.850 -1.898 124 1HB LYS 20 1HB LYS 20 8.182 -11.406 -3.878 125 2HB LYS 20 2HB LYS 20 8.452 -9.904 -4.779 126 1HG LYS 20 1HG LYS 20 10.213 -9.236 -3.368 127 2HG LYS 20 2HG LYS 20 9.692 -10.286 -2.040 128 1HD LYS 20 1HD LYS 20 10.172 -12.142 -3.988 129 2HD LYS 20 2HD LYS 20 11.358 -10.904 -4.442 130 1HE LYS 20 1HE LYS 20 12.496 -11.079 -2.382 131 2HE LYS 20 2HE LYS 20 11.115 -11.819 -1.558 132 1HZ LYS 20 1HZ LYS 20 13.186 -13.151 -2.571 133 2HZ LYS 20 2HZ LYS 20 11.721 -13.814 -2.285 134 3HZ LYS 20 3HZ LYS 20 12.107 -13.304 -3.788 135 H VAL 21 H VAL 21 8.320 -7.798 -1.437 136 HA VAL 21 HA VAL 21 7.459 -5.693 -3.292 137 HB VAL 21 HB VAL 21 6.568 -6.209 -0.615 138 1HG1 VAL 21 1HG1 VAL 21 6.974 -4.074 0.451 139 2HG1 VAL 21 2HG1 VAL 21 8.535 -4.816 0.027 140 3HG1 VAL 21 3HG1 VAL 21 7.880 -3.492 -0.966 141 1HG2 VAL 21 1HG2 VAL 21 4.935 -5.554 -2.121 142 2HG2 VAL 21 2HG2 VAL 21 5.219 -4.042 -1.224 143 3HG2 VAL 21 3HG2 VAL 21 5.948 -4.273 -2.831 144 H ALA 22 H ALA 22 8.921 -3.977 -3.570 145 HA ALA 22 HA ALA 22 11.326 -4.000 -1.941 146 1HB ALA 22 1HB ALA 22 11.174 -5.192 -4.557 147 2HB ALA 22 2HB ALA 22 12.181 -3.727 -4.650 148 3HB ALA 22 3HB ALA 22 12.590 -5.016 -3.493 149 H GLY 23 H GLY 23 12.434 -1.960 -1.971 150 1HA GLY 23 1HA GLY 23 12.736 0.227 -2.738 151 2HA GLY 23 2HA GLY 23 11.187 0.169 -3.557 152 H ALA 24 H ALA 24 11.115 2.373 -2.331 153 HA ALA 24 HA ALA 24 9.172 2.683 -0.690 154 1HB ALA 24 1HB ALA 24 10.220 2.478 1.697 155 2HB ALA 24 2HB ALA 24 9.624 1.008 0.887 156 3HB ALA 24 3HB ALA 24 11.368 1.366 0.914 157 H GLY 25 H GLY 25 10.333 4.151 1.604 158 1HA GLY 25 1HA GLY 25 10.853 6.599 0.354 159 2HA GLY 25 2HA GLY 25 11.113 6.211 2.042 160 H LEU 26 H LEU 26 12.842 3.860 0.454 161 HA LEU 26 HA LEU 26 15.032 3.501 0.341 162 1HB LEU 26 1HB LEU 26 14.736 4.268 -1.837 163 2HB LEU 26 2HB LEU 26 14.659 5.968 -1.338 164 HG LEU 26 HG LEU 26 17.186 5.105 -0.521 165 1HD1 LEU 26 1HD1 LEU 26 17.501 3.198 -1.700 166 2HD1 LEU 26 2HD1 LEU 26 16.305 3.631 -2.947 167 3HD1 LEU 26 3HD1 LEU 26 17.932 4.354 -2.983 168 1HD2 LEU 26 1HD2 LEU 26 18.001 6.596 -2.298 169 2HD2 LEU 26 2HD2 LEU 26 16.372 6.623 -3.015 170 3HD2 LEU 26 3HD2 LEU 26 16.642 7.309 -1.395 171 H GLN 27 H GLN 27 14.911 3.990 2.795 172 HA GLN 27 HA GLN 27 16.021 6.477 3.577 173 1HB GLN 27 1HB GLN 27 14.453 5.304 5.027 174 2HB GLN 27 2HB GLN 27 15.524 3.895 5.122 175 1HG GLN 27 1HG GLN 27 15.769 5.243 7.141 176 2HG GLN 27 2HG GLN 27 17.266 5.353 6.200 177 1HE2 GLN 27 1HE2 GLN 27 17.965 7.291 6.873 178 2HE2 GLN 27 2HE2 GLN 27 17.156 8.799 6.605 179 H ALA 28 H ALA 28 17.335 3.566 5.094 180 HA ALA 28 HA ALA 28 19.547 2.963 3.720 181 1HB ALA 28 1HB ALA 28 21.175 4.616 5.127 182 2HB ALA 28 2HB ALA 28 20.592 4.983 3.486 183 3HB ALA 28 3HB ALA 28 19.774 5.691 4.899 184 H GLY 29 H GLY 29 17.821 1.719 5.488 185 1HA GLY 29 1HA GLY 29 18.357 0.014 7.001 186 2HA GLY 29 2HA GLY 29 19.678 0.973 7.637 187 H THR 30 H THR 30 16.063 1.002 7.308 188 HA THR 30 HA THR 30 15.811 1.651 10.096 189 HB THR 30 HB THR 30 16.227 3.832 8.522 190 HG1 THR 30 1HG THR 30 14.130 3.486 10.549 191 1HG2 THR 30 1HG2 THR 30 14.029 4.886 8.057 192 2HG2 THR 30 2HG2 THR 30 14.186 3.389 7.106 193 3HG2 THR 30 3HG2 THR 30 13.192 3.406 8.583 194 H ALA 31 H ALA 31 13.549 1.582 10.826 195 HA ALA 31 HA ALA 31 12.227 -0.593 9.711 196 1HB ALA 31 1HB ALA 31 12.070 0.992 12.008 197 2HB ALA 31 2HB ALA 31 10.501 1.240 11.206 198 3HB ALA 31 3HB ALA 31 11.039 -0.406 11.618 199 H TYR 32 H TYR 32 10.200 -0.732 8.544 200 HA TYR 32 HA TYR 32 9.269 1.714 7.287 201 1HB TYR 32 1HB TYR 32 10.869 -0.534 6.096 202 2HB TYR 32 2HB TYR 32 9.435 -0.097 5.159 203 HD1 TYR 32 1HD TYR 32 12.858 0.639 5.805 204 HD2 TYR 32 2HD TYR 32 9.179 2.434 4.563 205 HE1 TYR 32 1HE TYR 32 14.144 2.562 4.750 206 HE2 TYR 32 2HE TYR 32 10.478 4.351 3.511 207 HH TYR 32 HH TYR 32 12.542 5.407 3.638 208 H ASP 33 H ASP 33 7.433 1.149 8.726 209 HA ASP 33 HA ASP 33 6.126 -1.239 8.640 210 1HB ASP 33 1HB ASP 33 5.769 1.099 9.948 211 2HB ASP 33 2HB ASP 33 4.476 1.273 8.751 212 HD2 ASP 33 HD2 ASP 33 4.046 -1.280 11.739 213 H VAL 34 H VAL 34 4.699 -2.196 7.137 214 HA VAL 34 HA VAL 34 4.565 -1.111 4.541 215 HB VAL 34 HB VAL 34 3.440 -3.463 5.999 216 1HG1 VAL 34 1HG1 VAL 34 2.195 -4.183 4.007 217 2HG1 VAL 34 2HG1 VAL 34 1.540 -2.665 4.666 218 3HG1 VAL 34 3HG1 VAL 34 2.564 -2.634 3.210 219 1HG2 VAL 34 1HG2 VAL 34 4.685 -4.723 4.369 220 2HG2 VAL 34 2HG2 VAL 34 4.988 -3.264 3.397 221 3HG2 VAL 34 3HG2 VAL 34 5.740 -3.436 5.001 222 H GLY 35 H GLY 35 2.478 -0.673 3.347 223 1HA GLY 35 1HA GLY 35 0.414 0.486 5.104 224 2HA GLY 35 2HA GLY 35 1.160 1.464 3.857 225 H GLN 36 H GLN 36 -1.291 1.505 3.250 226 HA GLN 36 HA GLN 36 -1.612 0.199 0.896 227 1HB GLN 36 1HB GLN 36 -2.456 -1.432 3.226 228 2HB GLN 36 2HB GLN 36 -3.661 -1.315 1.932 229 1HG GLN 36 1HG GLN 36 -1.121 -1.738 0.692 230 2HG GLN 36 2HG GLN 36 -1.233 -2.892 2.028 231 1HE2 GLN 36 1HE2 GLN 36 -3.474 -1.438 -0.335 232 2HE2 GLN 36 2HE2 GLN 36 -4.179 -2.915 -0.905 233 H CYS 37 H CYS 37 -2.867 1.710 -0.100 234 HA CYS 37 HA CYS 37 -5.107 2.775 1.462 235 1HB CYS 37 1HB CYS 37 -3.640 4.322 -0.653 236 2HB CYS 37 2HB CYS 37 -4.798 4.924 0.548 237 H ALA 38 H ALA 38 -6.789 3.806 -0.214 238 HA ALA 38 HA ALA 38 -6.839 2.265 -2.690 239 1HB ALA 38 1HB ALA 38 -9.082 1.452 -2.268 240 2HB ALA 38 2HB ALA 38 -8.047 0.964 -0.905 241 3HB ALA 38 3HB ALA 38 -9.164 2.339 -0.727 242 H TRP 39 H TRP 39 -8.675 3.109 -4.142 243 HA TRP 39 HA TRP 39 -9.006 5.988 -3.631 244 1HB TRP 39 1HB TRP 39 -8.560 4.547 -6.246 245 2HB TRP 39 2HB TRP 39 -8.992 6.254 -6.098 246 HD1 TRP 39 HD TRP 39 -6.164 4.050 -4.499 247 HE1 TRP 39 1HE TRP 39 -3.849 5.314 -4.609 248 HE3 TRP 39 3HE TRP 39 -7.953 8.222 -6.790 249 HZ2 TRP 39 2HZ TRP 39 -3.045 7.858 -5.619 250 HZ3 TRP 39 3HZ TRP 39 -6.337 10.049 -7.303 251 HH2 TRP 39 HH TRP 39 -3.959 9.917 -6.755 252 H VAL 40 H VAL 40 -11.119 6.552 -3.330 253 HA VAL 40 HA VAL 40 -13.144 4.588 -3.998 254 HB VAL 40 HB VAL 40 -13.468 7.258 -2.627 255 1HG1 VAL 40 1HG1 VAL 40 -15.107 4.869 -1.938 256 2HG1 VAL 40 2HG1 VAL 40 -15.564 6.586 -2.045 257 3HG1 VAL 40 3HG1 VAL 40 -15.400 5.615 -3.527 258 1HG2 VAL 40 1HG2 VAL 40 -11.699 5.908 -1.509 259 2HG2 VAL 40 2HG2 VAL 40 -13.141 6.157 -0.496 260 3HG2 VAL 40 3HG2 VAL 40 -12.878 4.591 -1.301 261 H ASP 41 H ASP 41 -14.741 7.471 -4.026 262 HA ASP 41 HA ASP 41 -14.521 7.605 -6.930 263 1HB ASP 41 1HB ASP 41 -16.740 7.030 -5.453 264 2HB ASP 41 2HB ASP 41 -16.889 8.793 -5.533 265 HD2 ASP 41 HD2 ASP 41 -16.803 7.842 -9.239 266 H THR 42 H THR 42 -14.458 9.765 -7.888 267 HA THR 42 HA THR 42 -14.236 11.997 -7.956 268 HB THR 42 HB THR 42 -15.823 11.700 -5.737 269 HG1 THR 42 1HG THR 42 -16.083 13.885 -6.234 270 1HG2 THR 42 1HG2 THR 42 -13.379 11.863 -4.491 271 2HG2 THR 42 2HG2 THR 42 -13.749 13.593 -4.690 272 3HG2 THR 42 3HG2 THR 42 -14.871 12.540 -3.796 273 H GLY 43 H GLY 43 -12.163 9.820 -7.271 274 1HA GLY 43 1HA GLY 43 -9.887 9.947 -7.346 275 2HA GLY 43 2HA GLY 43 -9.958 11.674 -7.056 276 H VAL 44 H VAL 44 -12.008 10.299 -4.776 277 HA VAL 44 HA VAL 44 -10.515 10.988 -2.599 278 HB VAL 44 HB VAL 44 -12.773 9.077 -3.077 279 1HG1 VAL 44 1HG1 VAL 44 -11.169 9.374 -0.550 280 2HG1 VAL 44 2HG1 VAL 44 -12.919 9.066 -0.464 281 3HG1 VAL 44 3HG1 VAL 44 -11.853 7.910 -1.296 282 1HG2 VAL 44 1HG2 VAL 44 -13.159 11.177 -1.106 283 2HG2 VAL 44 2HG2 VAL 44 -12.563 11.837 -2.647 284 3HG2 VAL 44 3HG2 VAL 44 -14.046 10.853 -2.614 285 H LEU 45 H LEU 45 -9.079 9.939 -1.181 286 HA LEU 45 HA LEU 45 -8.212 7.272 -2.009 287 1HB LEU 45 1HB LEU 45 -6.798 9.141 -2.979 288 2HB LEU 45 2HB LEU 45 -6.251 9.450 -1.322 289 HG LEU 45 HG LEU 45 -5.890 6.901 -2.920 290 1HD1 LEU 45 1HD1 LEU 45 -4.441 8.724 -3.659 291 2HD1 LEU 45 2HD1 LEU 45 -3.872 8.964 -1.990 292 3HD1 LEU 45 3HD1 LEU 45 -3.505 7.447 -2.845 293 1HD2 LEU 45 1HD2 LEU 45 -5.395 7.535 -0.028 294 2HD2 LEU 45 2HD2 LEU 45 -6.086 6.074 -0.775 295 3HD2 LEU 45 3HD2 LEU 45 -4.337 6.388 -0.886 296 H ALA 46 H ALA 46 -8.824 6.058 -0.288 297 HA ALA 46 HA ALA 46 -8.421 7.220 2.371 298 1HB ALA 46 1HB ALA 46 -9.817 4.774 2.554 299 2HB ALA 46 2HB ALA 46 -10.497 6.414 2.684 300 3HB ALA 46 3HB ALA 46 -10.469 5.586 1.109 301 H CYS 47 H CYS 47 -6.778 6.500 3.638 302 HA CYS 47 HA CYS 47 -5.200 4.312 2.591 303 1HB CYS 47 1HB CYS 47 -4.758 6.597 4.396 304 2HB CYS 47 2HB CYS 47 -3.866 5.120 4.804 305 H ASN 48 H ASN 48 -4.512 2.533 4.093 306 HA ASN 48 HA ASN 48 -6.684 1.959 5.939 307 1HB ASN 48 1HB ASN 48 -6.398 0.287 4.164 308 2HB ASN 48 2HB ASN 48 -4.673 0.129 4.530 309 1HD2 ASN 48 1HD2 ASN 48 -7.681 -1.163 4.953 310 2HD2 ASN 48 2HD2 ASN 48 -7.429 -2.139 6.361 311 HA PRO 49 HA PRO 49 -3.247 2.640 8.751 312 1HB PRO 49 1HB PRO 49 -4.750 3.398 10.904 313 2HB PRO 49 2HB PRO 49 -4.142 4.536 9.705 314 1HG PRO 49 1HG PRO 49 -6.854 3.435 10.071 315 2HG PRO 49 2HG PRO 49 -6.355 4.923 9.186 316 1HD PRO 49 1HD PRO 49 -7.151 2.391 8.107 317 2HD PRO 49 2HD PRO 49 -6.516 3.772 7.202 318 H ALA 50 H ALA 50 -4.291 0.081 8.056 319 HA ALA 50 HA ALA 50 -3.861 -1.155 10.673 320 1HB ALA 50 1HB ALA 50 -6.157 -1.434 10.623 321 2HB ALA 50 2HB ALA 50 -6.229 -1.437 8.845 322 3HB ALA 50 3HB ALA 50 -5.653 -2.879 9.714 323 H ASP 51 H ASP 51 -2.624 -0.578 7.746 324 HA ASP 51 HA ASP 51 -2.254 -2.702 6.284 325 1HB ASP 51 1HB ASP 51 0.344 -2.010 6.411 326 2HB ASP 51 2HB ASP 51 -0.859 -0.992 5.606 327 HD2 ASP 51 HD2 ASP 51 0.809 0.271 8.979 328 H PHE 52 H PHE 52 -0.799 -2.136 9.543 329 HA PHE 52 HA PHE 52 0.050 -3.511 11.044 330 1HB PHE 52 1HB PHE 52 -1.746 -5.089 9.418 331 2HB PHE 52 2HB PHE 52 -0.321 -6.092 9.712 332 HD1 PHE 52 1HD PHE 52 -3.309 -6.298 10.706 333 HD2 PHE 52 2HD PHE 52 0.313 -4.978 12.481 334 HE1 PHE 52 1HE PHE 52 -4.208 -6.883 12.976 335 HE2 PHE 52 2HE PHE 52 -0.587 -5.562 14.751 336 HZ PHE 52 HZ PHE 52 -2.837 -6.508 14.971 337 H SER 53 H SER 53 0.604 -5.170 7.848 338 HA SER 53 HA SER 53 2.896 -6.356 8.256 339 1HB SER 53 1HB SER 53 1.905 -4.742 5.918 340 2HB SER 53 2HB SER 53 3.538 -5.430 5.839 341 HG SER 53 HG SER 53 1.205 -6.650 5.324 342 H SER 54 H SER 54 5.215 -5.838 8.055 343 HA SER 54 HA SER 54 5.951 -3.091 8.021 344 1HB SER 54 1HB SER 54 6.916 -2.950 10.215 345 2HB SER 54 2HB SER 54 5.243 -3.499 10.425 346 HG SER 54 HG SER 54 6.688 -5.720 10.157 347 H VAL 55 H VAL 55 8.213 -2.841 7.549 348 HA VAL 55 HA VAL 55 9.842 -5.242 7.572 349 HB VAL 55 HB VAL 55 8.459 -4.888 5.357 350 1HG1 VAL 55 1HG1 VAL 55 9.296 -3.424 3.773 351 2HG1 VAL 55 2HG1 VAL 55 9.487 -2.472 5.265 352 3HG1 VAL 55 3HG1 VAL 55 10.889 -3.312 4.559 353 1HG2 VAL 55 1HG2 VAL 55 11.208 -5.869 5.877 354 2HG2 VAL 55 2HG2 VAL 55 9.803 -6.701 5.170 355 3HG2 VAL 55 3HG2 VAL 55 10.789 -5.611 4.167 356 H THR 56 H THR 56 11.948 -4.101 5.965 357 HA THR 56 HA THR 56 12.535 -1.537 7.205 358 HB THR 56 HB THR 56 13.872 -4.178 7.868 359 HG1 THR 56 1HG THR 56 12.448 -3.163 9.396 360 1HG2 THR 56 1HG2 THR 56 15.162 -1.401 8.012 361 2HG2 THR 56 2HG2 THR 56 15.802 -2.871 8.786 362 3HG2 THR 56 3HG2 THR 56 15.737 -2.755 7.010 363 H ALA 57 H ALA 57 14.606 -0.599 6.327 364 HA ALA 57 HA ALA 57 14.539 -0.907 3.496 365 1HB ALA 57 1HB ALA 57 15.183 1.231 3.753 366 2HB ALA 57 2HB ALA 57 15.515 0.969 5.482 367 3HB ALA 57 3HB ALA 57 16.779 0.640 4.273 368 H ASP 58 H ASP 58 16.989 -0.851 2.461 369 HA ASP 58 HA ASP 58 18.439 -3.036 3.709 370 1HB ASP 58 1HB ASP 58 18.796 -4.049 1.462 371 2HB ASP 58 2HB ASP 58 17.088 -4.045 1.924 372 HD2 ASP 58 HD2 ASP 58 17.098 -2.957 -1.453 373 H ALA 59 H ALA 59 20.708 -2.712 3.592 374 HA ALA 59 HA ALA 59 22.094 -0.653 3.536 375 1HB ALA 59 1HB ALA 59 22.522 -3.195 2.114 376 2HB ALA 59 2HB ALA 59 23.532 -1.865 1.497 377 3HB ALA 59 3HB ALA 59 23.600 -2.309 3.220 378 H ASN 60 H ASN 60 20.703 1.105 2.754 379 HA ASN 60 HA ASN 60 21.548 2.527 0.793 380 1HB ASN 60 1HB ASN 60 21.390 0.984 -0.995 381 2HB ASN 60 2HB ASN 60 19.848 0.326 -0.429 382 1HD2 ASN 60 1HD2 ASN 60 19.019 0.604 -2.524 383 2HD2 ASN 60 2HD2 ASN 60 18.495 2.146 -3.113 384 H GLY 61 H GLY 61 18.550 0.890 1.931 385 1HA GLY 61 1HA GLY 61 17.091 2.329 3.290 386 2HA GLY 61 2HA GLY 61 17.198 3.523 2.012 387 H SER 62 H SER 62 17.293 0.765 0.247 388 HA SER 62 HA SER 62 14.565 1.010 -0.454 389 1HB SER 62 1HB SER 62 16.980 -0.118 -1.564 390 2HB SER 62 2HB SER 62 15.687 -1.325 -1.658 391 HG SER 62 HG SER 62 15.372 -0.166 -3.497 392 H ALA 63 H ALA 63 12.837 -0.368 0.042 393 HA ALA 63 HA ALA 63 13.288 -2.190 2.224 394 1HB ALA 63 1HB ALA 63 10.643 -1.949 0.844 395 2HB ALA 63 2HB ALA 63 11.026 -1.984 2.582 396 3HB ALA 63 3HB ALA 63 11.286 -0.494 1.643 397 H SER 64 H SER 64 12.344 -4.446 2.148 398 HA SER 64 HA SER 64 11.980 -5.596 -0.405 399 1HB SER 64 1HB SER 64 13.902 -7.134 -0.348 400 2HB SER 64 2HB SER 64 14.447 -5.447 -0.421 401 HG SER 64 HG SER 64 14.138 -6.729 2.122 402 H THR 65 H THR 65 10.371 -7.065 0.001 403 HA THR 65 HA THR 65 10.580 -9.179 1.757 404 HB THR 65 HB THR 65 10.565 -7.545 3.597 405 HG1 THR 65 1HG THR 65 8.672 -8.481 4.583 406 1HG2 THR 65 1HG2 THR 65 8.077 -6.513 2.159 407 2HG2 THR 65 2HG2 THR 65 8.341 -6.233 3.897 408 3HG2 THR 65 3HG2 THR 65 9.489 -5.577 2.705 409 H SER 66 H SER 66 7.518 -8.330 2.485 410 HA SER 66 HA SER 66 6.425 -8.694 -0.141 411 1HB SER 66 1HB SER 66 5.948 -10.746 2.058 412 2HB SER 66 2HB SER 66 5.140 -10.726 0.480 413 HG SER 66 HG SER 66 6.865 -11.637 -0.418 414 H LEU 67 H LEU 67 4.356 -7.770 -0.277 415 HA LEU 67 HA LEU 67 3.215 -6.896 2.286 416 1HB LEU 67 1HB LEU 67 3.700 -5.471 -0.273 417 2HB LEU 67 2HB LEU 67 2.239 -5.062 0.642 418 HG LEU 67 HG LEU 67 3.532 -4.346 2.522 419 1HD1 LEU 67 1HD1 LEU 67 5.284 -5.815 2.817 420 2HD1 LEU 67 2HD1 LEU 67 5.803 -5.714 1.117 421 3HD1 LEU 67 3HD1 LEU 67 6.129 -4.363 2.229 422 1HD2 LEU 67 1HD2 LEU 67 3.908 -2.369 1.587 423 2HD2 LEU 67 2HD2 LEU 67 5.304 -2.999 0.681 424 3HD2 LEU 67 3HD2 LEU 67 3.667 -3.129 -0.003 425 H THR 68 H THR 68 1.055 -7.313 2.653 426 HA THR 68 HA THR 68 -0.169 -9.186 0.831 427 HB THR 68 HB THR 68 -0.175 -9.437 3.343 428 HG1 THR 68 1HG THR 68 -2.218 -10.294 3.038 429 1HG2 THR 68 1HG2 THR 68 -2.275 -7.226 3.316 430 2HG2 THR 68 2HG2 THR 68 -1.526 -8.015 4.725 431 3HG2 THR 68 3HG2 THR 68 -0.579 -6.880 3.734 432 H VAL 69 H VAL 69 -1.008 -8.415 -1.020 433 HA VAL 69 HA VAL 69 -2.140 -5.789 -1.104 434 HB VAL 69 HB VAL 69 -2.388 -7.920 -3.212 435 1HG1 VAL 69 1HG1 VAL 69 -1.687 -5.444 -4.325 436 2HG1 VAL 69 2HG1 VAL 69 -3.294 -6.208 -4.323 437 3HG1 VAL 69 3HG1 VAL 69 -2.853 -5.059 -3.037 438 1HG2 VAL 69 1HG2 VAL 69 -0.158 -7.027 -4.073 439 2HG2 VAL 69 2HG2 VAL 69 0.079 -6.341 -2.448 440 3HG2 VAL 69 3HG2 VAL 69 -0.092 -8.100 -2.655 441 H ARG 70 H ARG 70 -3.592 -6.540 0.855 442 HA ARG 70 HA ARG 70 -5.601 -8.304 0.583 443 1HB ARG 70 1HB ARG 70 -6.907 -6.596 2.092 444 2HB ARG 70 2HB ARG 70 -5.392 -7.278 2.708 445 1HG ARG 70 1HG ARG 70 -4.645 -5.007 1.200 446 2HG ARG 70 2HG ARG 70 -6.075 -4.500 2.115 447 1HD ARG 70 1HD ARG 70 -4.703 -4.211 3.888 448 2HD ARG 70 2HD ARG 70 -4.523 -5.969 3.963 449 HE ARG 70 HE ARG 70 -2.736 -5.004 1.977 450 1HH1 ARG 70 1HH1 ARG 70 -3.180 -4.771 5.460 451 2HH1 ARG 70 2HH1 ARG 70 -1.495 -4.540 5.787 452 1HH2 ARG 70 1HH2 ARG 70 -0.512 -4.701 2.409 453 2HH2 ARG 70 2HH2 ARG 70 0.033 -4.501 4.040 454 H ARG 71 H ARG 71 -7.458 -8.458 -0.664 455 HA ARG 71 HA ARG 71 -7.860 -6.594 -2.689 456 1HB ARG 71 1HB ARG 71 -8.491 -8.950 -2.935 457 2HB ARG 71 2HB ARG 71 -9.668 -8.819 -1.617 458 1HG ARG 71 1HG ARG 71 -10.478 -6.787 -3.284 459 2HG ARG 71 2HG ARG 71 -9.873 -7.966 -4.461 460 1HD ARG 71 1HD ARG 71 -12.051 -8.327 -2.367 461 2HD ARG 71 2HD ARG 71 -12.205 -8.476 -4.124 462 HE ARG 71 HE ARG 71 -10.336 -10.401 -3.506 463 1HH1 ARG 71 1HH1 ARG 71 -13.533 -9.677 -2.230 464 2HH1 ARG 71 2HH1 ARG 71 -13.874 -11.319 -1.801 465 1HH2 ARG 71 1HH2 ARG 71 -10.784 -12.568 -2.941 466 2HH2 ARG 71 2HH2 ARG 71 -12.300 -12.975 -2.208 467 H SER 72 H SER 72 -10.354 -7.643 -0.255 468 HA SER 72 HA SER 72 -11.891 -5.393 -0.551 469 1HB SER 72 1HB SER 72 -12.813 -6.076 1.746 470 2HB SER 72 2HB SER 72 -12.879 -7.305 0.470 471 HG SER 72 HG SER 72 -11.334 -7.202 2.843 472 H PHE 73 H PHE 73 -11.506 -3.283 0.007 473 HA PHE 73 HA PHE 73 -9.678 -2.835 2.263 474 1HB PHE 73 1HB PHE 73 -9.008 -2.245 -0.198 475 2HB PHE 73 2HB PHE 73 -10.269 -1.008 -0.133 476 HD1 PHE 73 1HD PHE 73 -10.070 0.646 1.909 477 HD2 PHE 73 2HD PHE 73 -6.859 -1.670 0.381 478 HE1 PHE 73 1HE PHE 73 -8.428 2.244 2.936 479 HE2 PHE 73 2HE PHE 73 -5.218 -0.071 1.406 480 HZ PHE 73 HZ PHE 73 -6.022 1.866 2.671 481 H GLU 74 H GLU 74 -10.292 -1.353 3.846 482 HA GLU 74 HA GLU 74 -12.621 0.253 3.331 483 1HB GLU 74 1HB GLU 74 -13.741 -0.526 5.432 484 2HB GLU 74 2HB GLU 74 -13.664 -1.775 4.178 485 1HG GLU 74 1HG GLU 74 -12.434 -3.128 5.506 486 2HG GLU 74 2HG GLU 74 -11.285 -1.836 5.885 487 HE2 GLU 74 HE2 GLU 74 -13.398 -0.850 8.637 488 H GLY 75 H GLY 75 -10.582 1.691 3.415 489 1HA GLY 75 1HA GLY 75 -9.677 2.185 6.168 490 2HA GLY 75 2HA GLY 75 -8.913 2.739 4.691 491 H PHE 76 H PHE 76 -8.914 4.903 5.752 492 HA PHE 76 HA PHE 76 -11.511 6.201 5.340 493 1HB PHE 76 1HB PHE 76 -10.500 5.729 7.790 494 2HB PHE 76 2HB PHE 76 -9.447 7.094 7.402 495 HD1 PHE 76 1HD PHE 76 -13.002 6.085 7.737 496 HD2 PHE 76 2HD PHE 76 -10.228 9.295 7.644 497 HE1 PHE 76 1HE PHE 76 -14.805 7.665 8.478 498 HE2 PHE 76 2HE PHE 76 -12.032 10.876 8.383 499 HZ PHE 76 HZ PHE 76 -14.299 10.042 8.792 500 H LEU 77 H LEU 77 -11.399 8.450 4.663 501 HA LEU 77 HA LEU 77 -9.368 8.928 2.811 502 1HB LEU 77 1HB LEU 77 -11.802 10.151 3.734 503 2HB LEU 77 2HB LEU 77 -10.557 11.382 3.457 504 HG LEU 77 HG LEU 77 -11.331 9.290 1.412 505 1HD1 LEU 77 1HD1 LEU 77 -12.833 11.592 2.283 506 2HD1 LEU 77 2HD1 LEU 77 -12.313 11.794 0.594 507 3HD1 LEU 77 3HD1 LEU 77 -13.246 10.357 1.071 508 1HD2 LEU 77 1HD2 LEU 77 -9.542 11.695 1.421 509 2HD2 LEU 77 2HD2 LEU 77 -9.280 10.074 0.731 510 3HD2 LEU 77 3HD2 LEU 77 -10.371 11.222 -0.082 511 H PHE 78 H PHE 78 -9.988 10.391 6.076 512 HA PHE 78 HA PHE 78 -7.574 10.334 7.124 513 1HB PHE 78 1HB PHE 78 -7.689 12.137 4.758 514 2HB PHE 78 2HB PHE 78 -7.063 12.955 6.193 515 HD1 PHE 78 1HD PHE 78 -5.904 11.730 3.363 516 HD2 PHE 78 2HD PHE 78 -5.494 10.896 7.503 517 HE1 PHE 78 1HE PHE 78 -3.647 10.718 2.935 518 HE2 PHE 78 2HE PHE 78 -3.237 9.884 7.075 519 HZ PHE 78 HZ PHE 78 -2.341 9.807 4.797 520 H ASP 79 H ASP 79 -10.538 12.014 6.472 521 HA ASP 79 HA ASP 79 -11.045 12.584 9.063 522 1HB ASP 79 1HB ASP 79 -9.079 14.338 8.239 523 2HB ASP 79 2HB ASP 79 -10.540 15.282 7.914 524 HD2 ASP 79 HD2 ASP 79 -10.060 16.271 11.192 525 H GLY 80 H GLY 80 -12.333 11.667 6.654 526 1HA GLY 80 1HA GLY 80 -14.417 13.733 6.336 527 2HA GLY 80 2HA GLY 80 -13.735 12.918 4.943 528 H THR 81 H THR 81 -13.489 10.282 5.633 529 HA THR 81 HA THR 81 -15.410 9.080 7.158 530 HB THR 81 HB THR 81 -16.521 10.371 4.756 531 HG1 THR 81 1HG THR 81 -17.569 10.528 6.773 532 1HG2 THR 81 1HG2 THR 81 -17.855 8.556 3.930 533 2HG2 THR 81 2HG2 THR 81 -16.207 7.885 3.991 534 3HG2 THR 81 3HG2 THR 81 -17.378 7.491 5.274 535 H ARG 82 H ARG 82 -15.915 6.755 6.328 536 HA ARG 82 HA ARG 82 -13.389 5.838 5.282 537 1HB ARG 82 1HB ARG 82 -14.785 3.554 5.909 538 2HB ARG 82 2HB ARG 82 -13.772 4.434 7.068 539 1HG ARG 82 1HG ARG 82 -15.692 5.632 7.929 540 2HG ARG 82 2HG ARG 82 -16.738 5.008 6.640 541 1HD ARG 82 1HD ARG 82 -15.612 2.720 7.856 542 2HD ARG 82 2HD ARG 82 -16.009 3.793 9.205 543 HE ARG 82 HE ARG 82 -18.204 3.745 7.365 544 1HH1 ARG 82 1HH1 ARG 82 -16.591 1.667 9.701 545 2HH1 ARG 82 2HH1 ARG 82 -18.013 0.741 10.050 546 1HH2 ARG 82 1HH2 ARG 82 -20.079 2.524 7.825 547 2HH2 ARG 82 2HH2 ARG 82 -20.010 1.231 8.975 548 H TRP 83 H TRP 83 -13.604 3.725 3.825 549 HA TRP 83 HA TRP 83 -15.938 3.392 2.293 550 1HB TRP 83 1HB TRP 83 -14.068 4.374 0.346 551 2HB TRP 83 2HB TRP 83 -15.763 4.796 0.599 552 HD1 TRP 83 HD TRP 83 -12.283 5.818 2.061 553 HE1 TRP 83 1HE TRP 83 -12.293 8.357 2.779 554 HE3 TRP 83 3HE TRP 83 -17.189 6.639 1.007 555 HZ2 TRP 83 2HZ TRP 83 -14.307 10.379 2.826 556 HZ3 TRP 83 3HZ TRP 83 -18.098 8.923 1.417 557 HH2 TRP 83 HH TRP 83 -16.743 10.759 2.295 558 H GLY 84 H GLY 84 -12.529 3.520 1.109 559 1HA GLY 84 1HA GLY 84 -11.021 1.893 0.711 560 2HA GLY 84 2HA GLY 84 -11.890 0.844 1.815 561 H THR 85 H THR 85 -14.193 1.981 -0.356 562 HA THR 85 HA THR 85 -15.428 0.746 -1.798 563 HB THR 85 HB THR 85 -13.721 2.214 -3.065 564 HG1 THR 85 1HG THR 85 -14.416 1.089 -5.026 565 1HG2 THR 85 1HG2 THR 85 -12.518 -0.542 -3.652 566 2HG2 THR 85 2HG2 THR 85 -12.033 1.005 -4.389 567 3HG2 THR 85 3HG2 THR 85 -11.716 0.702 -2.663 568 H VAL 86 H VAL 86 -14.134 -0.895 0.305 569 HA VAL 86 HA VAL 86 -13.367 -3.005 0.636 570 HB VAL 86 HB VAL 86 -15.903 -2.865 0.585 571 1HG1 VAL 86 1HG1 VAL 86 -17.004 -3.135 -1.334 572 2HG1 VAL 86 2HG1 VAL 86 -15.456 -3.328 -2.190 573 3HG1 VAL 86 3HG1 VAL 86 -16.294 -4.755 -1.532 574 1HG2 VAL 86 1HG2 VAL 86 -15.371 -4.728 1.741 575 2HG2 VAL 86 2HG2 VAL 86 -15.903 -5.581 0.271 576 3HG2 VAL 86 3HG2 VAL 86 -14.173 -5.258 0.537 577 H ASP 87 H ASP 87 -14.401 -5.172 -1.413 578 HA ASP 87 HA ASP 87 -12.318 -6.132 -2.446 579 1HB ASP 87 1HB ASP 87 -14.312 -5.464 -4.596 580 2HB ASP 87 2HB ASP 87 -13.561 -7.022 -4.222 581 HD2 ASP 87 HD2 ASP 87 -17.139 -6.706 -3.153 582 H CYS 88 H CYS 88 -10.487 -4.750 -2.786 583 HA CYS 88 HA CYS 88 -10.354 -2.346 -3.928 584 1HB CYS 88 1HB CYS 88 -8.483 -4.671 -3.971 585 2HB CYS 88 2HB CYS 88 -8.066 -3.201 -4.871 586 H THR 89 H THR 89 -10.466 -5.549 -5.611 587 HA THR 89 HA THR 89 -10.031 -4.901 -8.181 588 HB THR 89 HB THR 89 -10.555 -7.148 -7.916 589 HG1 THR 89 1HG THR 89 -12.800 -7.395 -8.749 590 1HG2 THR 89 1HG2 THR 89 -11.384 -7.576 -5.795 591 2HG2 THR 89 2HG2 THR 89 -12.373 -6.096 -5.783 592 3HG2 THR 89 3HG2 THR 89 -12.957 -7.549 -6.628 593 H THR 90 H THR 90 -12.701 -3.749 -6.191 594 HA THR 90 HA THR 90 -14.369 -2.967 -8.345 595 HB THR 90 HB THR 90 -14.128 -2.248 -5.388 596 HG1 THR 90 1HG THR 90 -16.010 -3.664 -7.143 597 1HG2 THR 90 1HG2 THR 90 -16.588 -1.652 -7.045 598 2HG2 THR 90 2HG2 THR 90 -16.067 -0.922 -5.507 599 3HG2 THR 90 3HG2 THR 90 -15.273 -0.453 -7.030 600 H ALA 91 H ALA 91 -11.504 -1.573 -6.820 601 HA ALA 91 HA ALA 91 -11.714 0.620 -8.748 602 1HB ALA 91 1HB ALA 91 -12.449 1.220 -6.327 603 2HB ALA 91 2HB ALA 91 -10.722 1.069 -5.923 604 3HB ALA 91 3HB ALA 91 -11.253 2.267 -7.128 605 H ALA 92 H ALA 92 -9.762 -1.412 -6.509 606 HA ALA 92 HA ALA 92 -7.808 -2.436 -7.075 607 1HB ALA 92 1HB ALA 92 -7.075 -0.312 -9.077 608 2HB ALA 92 2HB ALA 92 -6.682 -2.048 -9.067 609 3HB ALA 92 3HB ALA 92 -8.321 -1.509 -9.503 610 H CYS 93 H CYS 93 -7.848 -1.365 -4.807 611 HA CYS 93 HA CYS 93 -6.741 1.078 -4.302 612 1HB CYS 93 1HB CYS 93 -6.054 -1.216 -2.529 613 2HB CYS 93 2HB CYS 93 -6.570 0.428 -2.107 614 H GLN 94 H GLN 94 -4.416 0.976 -2.874 615 HA GLN 94 HA GLN 94 -2.516 -0.351 -4.634 616 1HB GLN 94 1HB GLN 94 -1.106 1.604 -4.710 617 2HB GLN 94 2HB GLN 94 -2.734 2.100 -5.206 618 1HG GLN 94 1HG GLN 94 -1.925 2.300 -2.304 619 2HG GLN 94 2HG GLN 94 -1.361 3.535 -3.441 620 1HE2 GLN 94 1HE2 GLN 94 -2.536 5.215 -2.728 621 2HE2 GLN 94 2HE2 GLN 94 -4.264 5.322 -2.781 622 H VAL 95 H VAL 95 -0.357 -0.718 -3.605 623 HA VAL 95 HA VAL 95 -0.484 -0.580 -0.681 624 HB VAL 95 HB VAL 95 -1.147 -2.800 -1.208 625 1HG1 VAL 95 1HG1 VAL 95 0.916 -2.573 -3.336 626 2HG1 VAL 95 2HG1 VAL 95 0.747 -4.168 -2.563 627 3HG1 VAL 95 3HG1 VAL 95 -0.659 -3.403 -3.343 628 1HG2 VAL 95 1HG2 VAL 95 0.374 -3.990 0.072 629 2HG2 VAL 95 2HG2 VAL 95 1.785 -3.202 -0.675 630 3HG2 VAL 95 3HG2 VAL 95 0.786 -2.312 0.498 631 H GLY 96 H GLY 96 1.330 0.295 0.202 632 1HA GLY 96 1HA GLY 96 3.820 0.186 -1.361 633 2HA GLY 96 2HA GLY 96 3.188 1.740 -0.855 634 H LEU 97 H LEU 97 5.445 1.683 0.245 635 HA LEU 97 HA LEU 97 5.222 0.285 2.817 636 1HB LEU 97 1HB LEU 97 7.410 0.745 0.931 637 2HB LEU 97 2HB LEU 97 7.826 1.093 2.618 638 HG LEU 97 HG LEU 97 6.423 -1.464 2.208 639 1HD1 LEU 97 1HD1 LEU 97 8.745 -2.451 1.437 640 2HD1 LEU 97 2HD1 LEU 97 7.551 -1.862 0.254 641 3HD1 LEU 97 3HD1 LEU 97 8.934 -0.839 0.707 642 1HD2 LEU 97 1HD2 LEU 97 9.116 -1.156 3.480 643 2HD2 LEU 97 2HD2 LEU 97 7.691 -0.443 4.274 644 3HD2 LEU 97 3HD2 LEU 97 7.741 -2.191 3.939 645 H SER 98 H SER 98 5.972 1.472 4.745 646 HA SER 98 HA SER 98 5.926 4.348 4.354 647 1HB SER 98 1HB SER 98 3.650 3.240 5.093 648 2HB SER 98 2HB SER 98 4.424 3.145 6.686 649 HG SER 98 HG SER 98 3.241 5.110 6.495 650 H ASP 99 H ASP 99 6.842 5.538 6.282 651 HA ASP 99 HA ASP 99 8.881 3.871 7.485 652 1HB ASP 99 1HB ASP 99 9.419 6.478 8.249 653 2HB ASP 99 2HB ASP 99 10.117 5.672 6.836 654 HD2 ASP 99 HD2 ASP 99 8.868 8.325 5.063 655 H ALA 100 H ALA 100 9.517 5.266 9.805 656 HA ALA 100 HA ALA 100 7.268 4.670 11.478 657 1HB ALA 100 1HB ALA 100 10.126 4.903 11.700 658 2HB ALA 100 2HB ALA 100 9.374 5.977 12.904 659 3HB ALA 100 3HB ALA 100 8.968 4.244 12.881 660 H ALA 101 H ALA 101 7.804 7.192 9.451 661 HA ALA 101 HA ALA 101 6.874 9.203 11.375 662 1HB ALA 101 1HB ALA 101 7.530 10.777 9.462 663 2HB ALA 101 2HB ALA 101 8.864 9.930 10.281 664 3HB ALA 101 3HB ALA 101 8.291 9.363 8.696 665 H GLY 102 H GLY 102 5.887 7.022 8.909 666 1HA GLY 102 1HA GLY 102 3.867 6.681 7.968 667 2HA GLY 102 2HA GLY 102 3.204 7.944 8.986 668 H ASN 103 H ASN 103 5.973 8.393 6.742 669 HA ASN 103 HA ASN 103 5.068 10.707 5.693 670 1HB ASN 103 1HB ASN 103 6.993 8.586 4.868 671 2HB ASN 103 2HB ASN 103 6.461 9.642 3.550 672 1HD2 ASN 103 1HD2 ASN 103 7.666 9.664 6.891 673 2HD2 ASN 103 2HD2 ASN 103 8.608 11.114 6.781 674 H GLY 104 H GLY 104 4.911 10.611 2.901 675 1HA GLY 104 1HA GLY 104 2.251 9.834 2.421 676 2HA GLY 104 2HA GLY 104 3.435 10.332 1.229 677 HA PRO 105 HA PRO 105 2.819 5.656 1.344 678 1HB PRO 105 1HB PRO 105 0.386 5.174 0.201 679 2HB PRO 105 2HB PRO 105 0.656 5.139 1.941 680 1HG PRO 105 1HG PRO 105 -0.620 7.204 0.264 681 2HG PRO 105 2HG PRO 105 -0.774 6.946 2.038 682 1HD PRO 105 1HD PRO 105 0.728 8.953 0.657 683 2HD PRO 105 2HD PRO 105 0.735 8.642 2.397 684 H GLU 106 H GLU 106 0.665 6.350 -1.276 685 HA GLU 106 HA GLU 106 0.922 6.243 -3.428 686 1HB GLU 106 1HB GLU 106 2.845 8.044 -2.585 687 2HB GLU 106 2HB GLU 106 3.790 6.944 -3.606 688 1HG GLU 106 1HG GLU 106 2.073 7.249 -5.417 689 2HG GLU 106 2HG GLU 106 1.246 8.439 -4.400 690 HE2 GLU 106 HE2 GLU 106 3.386 10.888 -5.471 691 H GLY 107 H GLY 107 1.021 3.792 -2.333 692 1HA GLY 107 1HA GLY 107 3.381 2.305 -2.769 693 2HA GLY 107 2HA GLY 107 1.757 1.678 -2.567 694 H VAL 108 H VAL 108 0.595 0.946 -4.350 695 HA VAL 108 HA VAL 108 1.133 1.826 -6.973 696 HB VAL 108 HB VAL 108 3.167 0.588 -6.773 697 1HG1 VAL 108 1HG1 VAL 108 1.743 -1.051 -5.009 698 2HG1 VAL 108 2HG1 VAL 108 2.116 -2.101 -6.398 699 3HG1 VAL 108 3HG1 VAL 108 3.429 -1.258 -5.540 700 1HG2 VAL 108 1HG2 VAL 108 2.972 -0.308 -8.819 701 2HG2 VAL 108 2HG2 VAL 108 1.780 -1.511 -8.271 702 3HG2 VAL 108 3HG2 VAL 108 1.248 0.126 -8.723 703 H ALA 109 H ALA 109 -0.644 1.377 -8.235 704 HA ALA 109 HA ALA 109 -2.856 0.154 -6.934 705 1HB ALA 109 1HB ALA 109 -3.901 0.579 -9.243 706 2HB ALA 109 2HB ALA 109 -3.296 2.004 -8.365 707 3HB ALA 109 3HB ALA 109 -2.340 1.305 -9.694 708 H ILE 110 H ILE 110 -3.102 -2.008 -6.707 709 HA ILE 110 HA ILE 110 -1.917 -3.706 -8.779 710 HB ILE 110 HB ILE 110 -2.377 -3.976 -5.856 711 1HG1 ILE 110 1HG1 ILE 110 -0.186 -3.945 -7.703 712 2HG1 ILE 110 2HG1 ILE 110 -0.157 -3.912 -5.932 713 1HG2 ILE 110 1HG2 ILE 110 -3.721 -5.809 -6.639 714 2HG2 ILE 110 2HG2 ILE 110 -2.448 -6.319 -7.774 715 3HG2 ILE 110 3HG2 ILE 110 -2.180 -6.449 -6.019 716 1HD1 ILE 110 1HD1 ILE 110 -0.203 -6.345 -5.834 717 2HD1 ILE 110 2HD1 ILE 110 -0.476 -6.454 -7.590 718 3HD1 ILE 110 3HD1 ILE 110 1.084 -5.863 -6.966 719 H SER 111 H SER 111 -3.167 -5.559 -9.564 720 HA SER 111 HA SER 111 -5.947 -4.800 -9.755 721 1HB SER 111 1HB SER 111 -4.286 -6.851 -11.268 722 2HB SER 111 2HB SER 111 -5.996 -6.518 -11.597 723 HG SER 111 HG SER 111 -5.487 -4.541 -12.436 724 H PHE 112 H PHE 112 -7.079 -5.566 -7.966 725 HA PHE 112 HA PHE 112 -6.437 -8.177 -6.920 726 1HB PHE 112 1HB PHE 112 -8.660 -6.158 -6.272 727 2HB PHE 112 2HB PHE 112 -8.133 -7.474 -5.217 728 HD1 PHE 112 1HD PHE 112 -7.090 -4.257 -6.727 729 HD2 PHE 112 2HD PHE 112 -6.324 -7.168 -3.734 730 HE1 PHE 112 1HE PHE 112 -5.446 -2.705 -5.637 731 HE2 PHE 112 2HE PHE 112 -4.680 -5.615 -2.644 732 HZ PHE 112 HZ PHE 112 -4.260 -3.402 -3.609 733 H ASN 113 H ASN 113 -8.467 -9.592 -6.292 734 HA ASN 113 HA ASN 113 -9.695 -10.219 -8.770 735 1HB ASN 113 1HB ASN 113 -8.987 -11.999 -7.216 736 2HB ASN 113 2HB ASN 113 -10.052 -11.367 -5.952 737 1HD2 ASN 113 1HD2 ASN 113 -11.522 -12.887 -5.678 738 2HD2 ASN 113 2HD2 ASN 113 -12.534 -13.579 -6.902
Contact the webmaster for help, if required. Friday, September 20, 2024 11:03:56 PM GMT (wattos1)