NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19184 | 2ee6 | 10146 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -0.901 32.780 14.676 2 HA2 GLY 1 1HA GLY 1 -2.592 31.829 12.809 3 HA3 GLY 1 2HA GLY 1 -2.233 33.433 12.188 4 H SER 2 H SER 2 -0.557 33.601 10.859 5 HA SER 2 HA SER 2 1.895 32.223 11.221 6 HB2 SER 2 1HB SER 2 -0.103 31.078 9.313 7 HB3 SER 2 2HB SER 2 1.605 31.034 8.879 8 HG SER 2 HG SER 2 0.234 29.646 10.839 9 H SER 3 H SER 3 3.257 32.428 9.091 10 HA SER 3 HA SER 3 2.980 35.207 8.254 11 HB2 SER 3 1HB SER 3 5.243 33.271 7.717 12 HB3 SER 3 2HB SER 3 5.270 35.015 7.461 13 HG SER 3 HG SER 3 5.696 33.596 9.736 14 H GLY 4 H GLY 4 3.565 32.043 6.712 15 HA2 GLY 4 1HA GLY 4 1.733 31.977 4.772 16 HA3 GLY 4 2HA GLY 4 2.865 33.150 4.114 17 H SER 5 H SER 5 2.243 29.821 4.753 18 HA SER 5 HA SER 5 4.786 29.116 3.438 19 HB2 SER 5 1HB SER 5 4.398 28.426 5.921 20 HB3 SER 5 2HB SER 5 3.319 27.209 5.239 21 HG SER 5 HG SER 5 6.068 27.560 4.620 22 H SER 6 H SER 6 4.441 28.464 1.429 23 HA SER 6 HA SER 6 1.891 27.635 0.477 24 HB2 SER 6 1HB SER 6 4.640 27.777 -0.727 25 HB3 SER 6 2HB SER 6 3.322 26.996 -1.601 26 HG SER 6 HG SER 6 3.328 29.128 -2.202 27 H GLY 7 H GLY 7 1.095 25.632 0.041 28 HA2 GLY 7 1HA GLY 7 2.532 23.262 -0.221 29 HA3 GLY 7 2HA GLY 7 2.134 23.427 1.483 30 H GLU 8 H GLU 8 0.972 22.652 -1.658 31 HA GLU 8 HA GLU 8 -1.786 22.436 -0.684 32 HB2 GLU 8 1HB GLU 8 -0.598 22.342 -3.456 33 HB3 GLU 8 2HB GLU 8 -2.279 21.947 -3.124 34 HG2 GLU 8 1HG GLU 8 -2.647 24.184 -2.244 35 HG3 GLU 8 2HG GLU 8 -0.955 24.586 -2.538 36 H GLY 9 H GLY 9 -3.013 20.474 -1.305 37 HA2 GLY 9 1HA GLY 9 -2.934 18.145 -2.007 38 HA3 GLY 9 2HA GLY 9 -1.292 18.077 -1.383 39 H GLY 10 H GLY 10 -1.308 16.673 0.255 40 HA2 GLY 10 1HA GLY 10 -1.714 16.572 2.676 41 HA3 GLY 10 2HA GLY 10 -3.370 17.053 2.338 42 H ALA 11 H ALA 11 -2.301 14.688 3.745 43 HA ALA 11 HA ALA 11 -2.229 12.306 2.565 44 HB1 ALA 11 3HB ALA 11 -3.656 11.400 4.430 45 HB2 ALA 11 1HB ALA 11 -2.293 12.399 4.934 46 HB3 ALA 11 2HB ALA 11 -3.925 13.069 4.931 47 H HIS 12 H HIS 12 -5.446 13.478 3.546 48 HA HIS 12 HA HIS 12 -7.063 11.807 2.215 49 HB2 HIS 12 1HB HIS 12 -8.711 13.611 2.018 50 HB3 HIS 12 2HB HIS 12 -7.893 13.673 3.575 51 HD1 HIS 12 1HD HIS 12 -5.460 15.297 3.067 52 HD2 HIS 12 2HD HIS 12 -9.104 16.173 1.276 53 HE1 HIS 12 1HE HIS 12 -5.332 17.727 2.436 54 H LYS 13 H LYS 13 -5.237 14.433 0.752 55 HA LYS 13 HA LYS 13 -6.387 13.993 -1.864 56 HB2 LYS 13 1HB LYS 13 -4.070 15.726 -0.985 57 HB3 LYS 13 2HB LYS 13 -4.773 15.719 -2.597 58 HG2 LYS 13 1HG LYS 13 -6.546 16.245 -0.267 59 HG3 LYS 13 2HG LYS 13 -5.461 17.521 -0.826 60 HD2 LYS 13 1HD LYS 13 -7.416 17.917 -2.026 61 HD3 LYS 13 2HD LYS 13 -6.420 17.007 -3.164 62 HE2 LYS 13 1HE LYS 13 -7.699 15.102 -2.967 63 HE3 LYS 13 2HE LYS 13 -8.287 15.535 -1.362 64 HZ1 LYS 13 3HZ LYS 13 -10.108 16.312 -2.322 65 HZ2 LYS 13 1HZ LYS 13 -9.489 16.011 -3.867 66 HZ3 LYS 13 2HZ LYS 13 -9.188 17.493 -3.111 67 H VAL 14 H VAL 14 -5.150 11.697 -0.723 68 HA VAL 14 HA VAL 14 -3.102 11.214 -2.768 69 HB VAL 14 HB VAL 14 -2.842 10.566 0.165 70 HG11 VAL 14 1HG1 VAL 14 -1.642 9.252 -2.205 71 HG12 VAL 14 2HG1 VAL 14 -0.584 9.562 -0.828 72 HG13 VAL 14 3HG1 VAL 14 -2.040 8.589 -0.620 73 HG21 VAL 14 3HG2 VAL 14 -1.350 12.222 0.243 74 HG22 VAL 14 1HG2 VAL 14 -0.540 11.658 -1.218 75 HG23 VAL 14 2HG2 VAL 14 -1.948 12.712 -1.342 76 H ARG 15 H ARG 15 -3.562 9.468 -3.929 77 HA ARG 15 HA ARG 15 -5.330 7.428 -2.746 78 HB2 ARG 15 1HB ARG 15 -5.195 8.601 -5.497 79 HB3 ARG 15 2HB ARG 15 -5.772 6.953 -5.290 80 HG2 ARG 15 1HG ARG 15 -7.645 8.447 -5.348 81 HG3 ARG 15 2HG ARG 15 -7.484 7.787 -3.719 82 HD2 ARG 15 1HD ARG 15 -6.658 9.795 -2.860 83 HD3 ARG 15 2HD ARG 15 -6.243 10.412 -4.459 84 HE ARG 15 HE ARG 15 -8.362 11.237 -4.633 85 HH11 ARG 15 1HH1 ARG 15 -8.318 8.784 -2.163 86 HH12 ARG 15 2HH1 ARG 15 -9.953 9.069 -1.668 87 HH21 ARG 15 1HH2 ARG 15 -10.516 11.623 -3.990 88 HH22 ARG 15 2HH2 ARG 15 -11.203 10.684 -2.708 89 H ALA 16 H ALA 16 -4.860 5.263 -3.079 90 HA ALA 16 HA ALA 16 -2.337 4.636 -4.447 91 HB1 ALA 16 3HB ALA 16 -2.248 4.849 -1.831 92 HB2 ALA 16 1HB ALA 16 -2.948 3.231 -1.893 93 HB3 ALA 16 2HB ALA 16 -1.394 3.550 -2.664 94 H GLY 17 H GLY 17 -2.385 2.820 -5.653 95 HA2 GLY 17 1HA GLY 17 -4.193 0.656 -5.127 96 HA3 GLY 17 2HA GLY 17 -4.706 1.635 -6.493 97 H GLY 18 H GLY 18 -3.627 -1.194 -6.177 98 HA2 GLY 18 1HA GLY 18 -2.039 -1.147 -8.579 99 HA3 GLY 18 2HA GLY 18 -1.120 -1.603 -7.152 100 HA PRO 19 HA PRO 19 -3.461 -5.258 -9.088 101 HB2 PRO 19 1HB PRO 19 -1.327 -6.537 -10.177 102 HB3 PRO 19 2HB PRO 19 -2.288 -5.345 -11.062 103 HG2 PRO 19 1HG PRO 19 0.340 -5.003 -9.668 104 HG3 PRO 19 2HG PRO 19 -0.178 -4.385 -11.247 105 HD2 PRO 19 1HD PRO 19 -0.147 -2.847 -9.019 106 HD3 PRO 19 2HD PRO 19 -1.336 -2.622 -10.318 107 H GLY 20 H GLY 20 -0.963 -4.594 -6.907 108 HA2 GLY 20 1HA GLY 20 -0.839 -7.379 -5.967 109 HA3 GLY 20 2HA GLY 20 0.289 -6.103 -5.532 110 H LEU 21 H LEU 21 -1.725 -4.131 -4.939 111 HA LEU 21 HA LEU 21 -2.095 -4.583 -2.221 112 HB2 LEU 21 1HB LEU 21 -3.365 -2.718 -4.185 113 HB3 LEU 21 2HB LEU 21 -3.936 -2.776 -2.519 114 HG LEU 21 HG LEU 21 -1.066 -2.226 -3.245 115 HD11 LEU 21 1HD1 LEU 21 -1.708 -0.246 -4.018 116 HD12 LEU 21 2HD1 LEU 21 -2.222 0.142 -2.377 117 HD13 LEU 21 3HD1 LEU 21 -3.381 -0.519 -3.531 118 HD21 LEU 21 3HD2 LEU 21 -0.917 -1.379 -0.999 119 HD22 LEU 21 1HD2 LEU 21 -1.578 -3.013 -0.949 120 HD23 LEU 21 2HD2 LEU 21 -2.646 -1.625 -0.748 121 H GLU 22 H GLU 22 -4.496 -4.838 -4.842 122 HA GLU 22 HA GLU 22 -6.729 -5.554 -3.471 123 HB2 GLU 22 1HB GLU 22 -7.274 -7.039 -5.470 124 HB3 GLU 22 2HB GLU 22 -6.923 -5.350 -5.809 125 HG2 GLU 22 1HG GLU 22 -4.516 -6.158 -6.228 126 HG3 GLU 22 2HG GLU 22 -5.237 -7.763 -6.333 127 H ARG 23 H ARG 23 -4.114 -7.750 -4.453 128 HA ARG 23 HA ARG 23 -4.615 -9.441 -2.177 129 HB2 ARG 23 1HB ARG 23 -6.192 -10.092 -4.196 130 HB3 ARG 23 2HB ARG 23 -4.737 -10.882 -4.788 131 HG2 ARG 23 1HG ARG 23 -4.694 -11.885 -2.356 132 HG3 ARG 23 2HG ARG 23 -6.421 -11.525 -2.428 133 HD2 ARG 23 1HD ARG 23 -5.060 -13.004 -4.651 134 HD3 ARG 23 2HD ARG 23 -5.595 -13.848 -3.198 135 HE ARG 23 HE ARG 23 -7.263 -12.729 -5.282 136 HH11 ARG 23 1HH1 ARG 23 -7.090 -13.964 -2.031 137 HH12 ARG 23 2HH1 ARG 23 -8.778 -14.342 -1.947 138 HH21 ARG 23 1HH2 ARG 23 -9.487 -13.222 -5.183 139 HH22 ARG 23 2HH2 ARG 23 -10.141 -13.921 -3.739 140 H GLY 24 H GLY 24 -2.968 -11.063 -1.881 141 HA2 GLY 24 1HA GLY 24 -0.612 -10.744 -3.619 142 HA3 GLY 24 2HA GLY 24 -0.447 -10.534 -1.882 143 H GLU 25 H GLU 25 1.183 -12.332 -2.727 144 HA GLU 25 HA GLU 25 -0.033 -14.872 -1.923 145 HB2 GLU 25 1HB GLU 25 1.399 -14.309 -4.481 146 HB3 GLU 25 2HB GLU 25 1.631 -15.876 -3.720 147 HG2 GLU 25 1HG GLU 25 -0.128 -16.372 -5.056 148 HG3 GLU 25 2HG GLU 25 -1.004 -15.828 -3.627 149 H ALA 26 H ALA 26 1.406 -16.351 -0.954 150 HA ALA 26 HA ALA 26 3.578 -15.106 0.447 151 HB1 ALA 26 3HB ALA 26 2.009 -16.833 1.406 152 HB2 ALA 26 1HB ALA 26 2.887 -18.034 0.458 153 HB3 ALA 26 2HB ALA 26 3.726 -17.106 1.702 154 H GLY 27 H GLY 27 5.648 -15.040 -0.135 155 HA2 GLY 27 1HA GLY 27 7.675 -15.948 -0.930 156 HA3 GLY 27 2HA GLY 27 6.759 -17.175 -1.793 157 H VAL 28 H VAL 28 5.017 -14.734 -2.672 158 HA VAL 28 HA VAL 28 6.717 -14.084 -4.984 159 HB VAL 28 HB VAL 28 3.708 -13.913 -4.768 160 HG11 VAL 28 1HG1 VAL 28 4.906 -12.359 -6.375 161 HG12 VAL 28 2HG1 VAL 28 5.385 -13.808 -7.261 162 HG13 VAL 28 3HG1 VAL 28 3.676 -13.414 -7.072 163 HG21 VAL 28 3HG2 VAL 28 4.643 -15.842 -6.662 164 HG22 VAL 28 1HG2 VAL 28 5.350 -16.179 -5.082 165 HG23 VAL 28 2HG2 VAL 28 3.599 -16.076 -5.260 166 HA PRO 29 HA PRO 29 6.933 -9.897 -3.606 167 HB2 PRO 29 1HB PRO 29 7.700 -8.765 -5.951 168 HB3 PRO 29 2HB PRO 29 8.793 -9.721 -4.944 169 HG2 PRO 29 1HG PRO 29 7.272 -10.536 -7.390 170 HG3 PRO 29 2HG PRO 29 8.949 -10.900 -6.941 171 HD2 PRO 29 1HD PRO 29 6.935 -12.680 -6.615 172 HD3 PRO 29 2HD PRO 29 8.331 -12.607 -5.521 173 H ALA 30 H ALA 30 5.326 -8.499 -3.289 174 HA ALA 30 HA ALA 30 3.252 -8.237 -5.358 175 HB1 ALA 30 3HB ALA 30 2.958 -7.375 -2.497 176 HB2 ALA 30 1HB ALA 30 1.697 -7.727 -3.680 177 HB3 ALA 30 2HB ALA 30 2.667 -9.038 -3.007 178 H GLU 31 H GLU 31 3.872 -6.587 -6.650 179 HA GLU 31 HA GLU 31 4.962 -4.151 -5.488 180 HB2 GLU 31 1HB GLU 31 4.402 -4.733 -8.398 181 HB3 GLU 31 2HB GLU 31 5.432 -3.467 -7.743 182 HG2 GLU 31 1HG GLU 31 7.114 -4.951 -7.166 183 HG3 GLU 31 2HG GLU 31 6.031 -6.341 -7.191 184 H PHE 32 H PHE 32 4.089 -2.041 -6.117 185 HA PHE 32 HA PHE 32 1.470 -1.772 -7.170 186 HB2 PHE 32 1HB PHE 32 0.249 -1.149 -5.188 187 HB3 PHE 32 2HB PHE 32 0.944 -2.746 -4.927 188 HD1 PHE 32 1HD PHE 32 1.226 0.823 -4.075 189 HD2 PHE 32 2HD PHE 32 2.546 -3.132 -3.220 190 HE1 PHE 32 1HE PHE 32 2.284 1.627 -2.004 191 HE2 PHE 32 2HE PHE 32 3.605 -2.335 -1.147 192 HZ PHE 32 HZ PHE 32 3.473 0.048 -0.537 193 H SER 33 H SER 33 1.171 0.264 -7.865 194 HA SER 33 HA SER 33 3.211 2.236 -7.142 195 HB2 SER 33 1HB SER 33 2.372 3.464 -9.155 196 HB3 SER 33 2HB SER 33 2.984 1.851 -9.519 197 HG SER 33 HG SER 33 0.873 1.111 -9.647 198 H ILE 34 H ILE 34 2.730 4.250 -6.339 199 HA ILE 34 HA ILE 34 0.014 4.555 -5.265 200 HB ILE 34 HB ILE 34 2.506 6.042 -4.433 201 HG12 ILE 34 1HG1 ILE 34 1.239 3.927 -2.747 202 HG13 ILE 34 2HG1 ILE 34 2.286 3.426 -4.071 203 HG21 ILE 34 1HG2 ILE 34 -0.266 6.399 -3.864 204 HG22 ILE 34 2HG2 ILE 34 0.565 5.907 -2.388 205 HG23 ILE 34 3HG2 ILE 34 1.114 7.328 -3.279 206 HD11 ILE 34 3HD1 ILE 34 3.475 5.524 -2.466 207 HD12 ILE 34 1HD1 ILE 34 3.072 4.093 -1.519 208 HD13 ILE 34 2HD1 ILE 34 4.117 3.949 -2.933 209 H TRP 35 H TRP 35 -1.302 5.973 -6.181 210 HA TRP 35 HA TRP 35 -0.365 7.785 -8.200 211 HB2 TRP 35 1HB TRP 35 -3.074 7.231 -6.998 212 HB3 TRP 35 2HB TRP 35 -2.821 8.512 -8.181 213 HD1 TRP 35 HD TRP 35 -1.303 4.953 -8.297 214 HE1 TRP 35 1HE TRP 35 -2.064 3.834 -10.485 215 HE3 TRP 35 3HE TRP 35 -4.439 8.602 -10.026 216 HZ2 TRP 35 2HZ TRP 35 -3.769 4.420 -12.658 217 HZ3 TRP 35 3HZ TRP 35 -5.596 8.245 -12.168 218 HH2 TRP 35 HH TRP 35 -5.267 6.197 -13.455 219 H THR 36 H THR 36 0.846 9.435 -7.433 220 HA THR 36 HA THR 36 -0.340 11.113 -5.319 221 HB THR 36 HB THR 36 1.965 11.917 -4.855 222 HG1 THR 36 1HG THR 36 3.622 10.352 -5.751 223 HG21 THR 36 3HG2 THR 36 2.035 10.354 -3.267 224 HG22 THR 36 1HG2 THR 36 2.506 9.128 -4.443 225 HG23 THR 36 2HG2 THR 36 0.799 9.455 -4.146 226 H ARG 37 H ARG 37 -1.126 11.408 -7.990 227 HA ARG 37 HA ARG 37 0.358 13.684 -9.045 228 HB2 ARG 37 1HB ARG 37 -1.240 13.517 -10.948 229 HB3 ARG 37 2HB ARG 37 -0.327 12.041 -10.665 230 HG2 ARG 37 1HG ARG 37 -2.220 11.008 -9.606 231 HG3 ARG 37 2HG ARG 37 -3.137 12.513 -9.695 232 HD2 ARG 37 1HD ARG 37 -3.943 11.270 -11.492 233 HD3 ARG 37 2HD ARG 37 -2.763 12.352 -12.230 234 HE ARG 37 HE ARG 37 -2.576 9.476 -11.972 235 HH11 ARG 37 1HH1 ARG 37 -0.901 12.464 -12.594 236 HH12 ARG 37 2HH1 ARG 37 0.414 11.706 -13.430 237 HH21 ARG 37 1HH2 ARG 37 -0.850 8.465 -13.070 238 HH22 ARG 37 2HH2 ARG 37 0.440 9.430 -13.701 239 H GLU 38 H GLU 38 -1.724 13.416 -6.646 240 HA GLU 38 HA GLU 38 -3.364 15.738 -7.392 241 HB2 GLU 38 1HB GLU 38 -4.354 13.519 -6.467 242 HB3 GLU 38 2HB GLU 38 -3.779 14.100 -4.911 243 HG2 GLU 38 1HG GLU 38 -5.997 14.787 -4.997 244 HG3 GLU 38 2HG GLU 38 -5.081 16.232 -5.419 245 H ALA 39 H ALA 39 -1.733 14.474 -4.479 246 HA ALA 39 HA ALA 39 -1.640 16.939 -3.132 247 HB1 ALA 39 3HB ALA 39 -0.340 14.297 -2.803 248 HB2 ALA 39 1HB ALA 39 0.389 15.669 -1.970 249 HB3 ALA 39 2HB ALA 39 -1.294 15.243 -1.662 250 H GLY 40 H GLY 40 0.111 18.366 -2.751 251 HA2 GLY 40 1HA GLY 40 1.619 18.997 -5.076 252 HA3 GLY 40 2HA GLY 40 1.767 19.772 -3.506 253 H ALA 41 H ALA 41 2.785 18.145 -1.813 254 HA ALA 41 HA ALA 41 4.751 16.341 -2.837 255 HB1 ALA 41 3HB ALA 41 5.540 18.907 -3.082 256 HB2 ALA 41 1HB ALA 41 6.120 18.551 -1.455 257 HB3 ALA 41 2HB ALA 41 6.646 17.560 -2.815 258 H GLY 42 H GLY 42 5.953 15.276 -1.159 259 HA2 GLY 42 1HA GLY 42 5.962 15.819 1.535 260 HA3 GLY 42 2HA GLY 42 4.438 14.989 1.252 261 H GLY 43 H GLY 43 6.263 13.877 2.945 262 HA2 GLY 43 1HA GLY 43 7.891 11.957 1.515 263 HA3 GLY 43 2HA GLY 43 7.716 12.086 3.259 264 H LEU 44 H LEU 44 7.767 9.613 2.242 265 HA LEU 44 HA LEU 44 5.007 8.717 2.642 266 HB2 LEU 44 1HB LEU 44 6.764 8.142 0.306 267 HB3 LEU 44 2HB LEU 44 5.675 6.880 0.880 268 HG LEU 44 HG LEU 44 4.687 9.625 0.156 269 HD11 LEU 44 1HD1 LEU 44 4.383 7.411 -1.777 270 HD12 LEU 44 2HD1 LEU 44 5.977 8.157 -1.669 271 HD13 LEU 44 3HD1 LEU 44 4.566 9.144 -2.050 272 HD21 LEU 44 3HD2 LEU 44 3.093 7.158 -0.181 273 HD22 LEU 44 1HD2 LEU 44 2.605 8.762 0.369 274 HD23 LEU 44 2HD2 LEU 44 3.432 7.665 1.476 275 H SER 45 H SER 45 4.797 6.824 3.769 276 HA SER 45 HA SER 45 7.266 5.407 4.507 277 HB2 SER 45 1HB SER 45 6.589 6.989 6.321 278 HB3 SER 45 2HB SER 45 5.061 6.118 6.454 279 HG SER 45 HG SER 45 6.718 5.436 7.955 280 H ILE 46 H ILE 46 7.112 3.224 4.613 281 HA ILE 46 HA ILE 46 4.436 2.029 4.337 282 HB ILE 46 HB ILE 46 6.920 1.255 2.805 283 HG12 ILE 46 1HG1 ILE 46 4.275 1.930 1.579 284 HG13 ILE 46 2HG1 ILE 46 5.318 3.236 2.130 285 HG21 ILE 46 1HG2 ILE 46 4.212 -0.061 2.709 286 HG22 ILE 46 2HG2 ILE 46 5.675 -0.557 1.861 287 HG23 ILE 46 3HG2 ILE 46 5.586 -0.690 3.616 288 HD11 ILE 46 3HD1 ILE 46 5.935 3.041 -0.066 289 HD12 ILE 46 1HD1 ILE 46 7.126 2.005 0.719 290 HD13 ILE 46 2HD1 ILE 46 5.726 1.290 -0.083 291 H ALA 47 H ALA 47 4.020 0.396 5.687 292 HA ALA 47 HA ALA 47 6.238 -1.098 6.878 293 HB1 ALA 47 3HB ALA 47 4.468 0.759 8.299 294 HB2 ALA 47 1HB ALA 47 4.628 -0.829 9.049 295 HB3 ALA 47 2HB ALA 47 6.064 0.148 8.737 296 H VAL 48 H VAL 48 5.811 -3.131 6.327 297 HA VAL 48 HA VAL 48 3.045 -4.045 6.125 298 HB VAL 48 HB VAL 48 5.555 -5.588 5.466 299 HG11 VAL 48 1HG1 VAL 48 3.239 -6.706 5.849 300 HG12 VAL 48 2HG1 VAL 48 2.854 -6.031 4.264 301 HG13 VAL 48 3HG1 VAL 48 4.202 -7.156 4.441 302 HG21 VAL 48 3HG2 VAL 48 4.251 -3.406 4.053 303 HG22 VAL 48 1HG2 VAL 48 5.827 -4.149 3.781 304 HG23 VAL 48 2HG2 VAL 48 4.379 -4.870 3.079 305 H GLU 49 H GLU 49 2.138 -4.790 7.923 306 HA GLU 49 HA GLU 49 3.788 -6.397 9.763 307 HB2 GLU 49 1HB GLU 49 1.690 -4.340 10.250 308 HB3 GLU 49 2HB GLU 49 1.774 -5.699 11.362 309 HG2 GLU 49 1HG GLU 49 4.195 -4.069 10.690 310 HG3 GLU 49 2HG GLU 49 3.066 -3.582 11.955 311 H GLY 50 H GLY 50 3.004 -8.342 10.493 312 HA2 GLY 50 1HA GLY 50 0.327 -9.214 10.157 313 HA3 GLY 50 2HA GLY 50 1.325 -9.823 8.846 314 HA PRO 51 HA PRO 51 1.536 -12.916 12.261 315 HB2 PRO 51 1HB PRO 51 1.378 -15.069 10.616 316 HB3 PRO 51 2HB PRO 51 -0.047 -14.220 11.226 317 HG2 PRO 51 1HG PRO 51 1.307 -13.982 8.566 318 HG3 PRO 51 2HG PRO 51 -0.426 -14.056 8.937 319 HD2 PRO 51 1HD PRO 51 0.850 -11.729 8.399 320 HD3 PRO 51 2HD PRO 51 -0.526 -11.827 9.516 321 H SER 52 H SER 52 3.382 -12.118 9.506 322 HA SER 52 HA SER 52 5.736 -13.361 10.691 323 HB2 SER 52 1HB SER 52 4.585 -14.844 8.840 324 HB3 SER 52 2HB SER 52 5.379 -13.717 7.740 325 HG SER 52 HG SER 52 6.909 -14.798 9.804 326 H LYS 53 H LYS 53 7.721 -12.743 9.215 327 HA LYS 53 HA LYS 53 7.655 -9.854 9.019 328 HB2 LYS 53 1HB LYS 53 9.544 -11.091 10.095 329 HB3 LYS 53 2HB LYS 53 9.965 -11.738 8.514 330 HG2 LYS 53 1HG LYS 53 10.380 -9.480 7.691 331 HG3 LYS 53 2HG LYS 53 9.942 -8.822 9.271 332 HD2 LYS 53 1HD LYS 53 12.273 -8.893 9.325 333 HD3 LYS 53 2HD LYS 53 11.791 -10.354 10.191 334 HE2 LYS 53 1HE LYS 53 12.338 -11.740 8.383 335 HE3 LYS 53 2HE LYS 53 12.365 -10.393 7.245 336 HZ1 LYS 53 3HZ LYS 53 14.304 -9.561 8.676 337 HZ2 LYS 53 1HZ LYS 53 14.589 -10.843 7.609 338 HZ3 LYS 53 2HZ LYS 53 14.382 -11.147 9.260 339 H ALA 54 H ALA 54 7.680 -8.671 7.194 340 HA ALA 54 HA ALA 54 7.764 -10.136 4.636 341 HB1 ALA 54 3HB ALA 54 6.142 -8.732 3.749 342 HB2 ALA 54 1HB ALA 54 5.592 -8.972 5.407 343 HB3 ALA 54 2HB ALA 54 6.419 -7.480 4.960 344 H GLU 55 H GLU 55 9.041 -9.387 2.998 345 HA GLU 55 HA GLU 55 11.145 -7.555 3.743 346 HB2 GLU 55 1HB GLU 55 11.454 -9.693 2.397 347 HB3 GLU 55 2HB GLU 55 10.733 -8.833 1.043 348 HG2 GLU 55 1HG GLU 55 12.539 -7.448 0.778 349 HG3 GLU 55 2HG GLU 55 13.047 -7.609 2.458 350 H ILE 56 H ILE 56 11.667 -5.620 2.691 351 HA ILE 56 HA ILE 56 9.620 -4.496 0.914 352 HB ILE 56 HB ILE 56 10.762 -3.095 3.335 353 HG12 ILE 56 1HG1 ILE 56 7.871 -3.689 2.713 354 HG13 ILE 56 2HG1 ILE 56 8.879 -4.791 3.642 355 HG21 ILE 56 1HG2 ILE 56 9.002 -2.088 1.109 356 HG22 ILE 56 2HG2 ILE 56 9.215 -1.249 2.644 357 HG23 ILE 56 3HG2 ILE 56 10.596 -1.497 1.576 358 HD11 ILE 56 3HD1 ILE 56 9.308 -2.897 5.226 359 HD12 ILE 56 1HD1 ILE 56 8.067 -1.991 4.360 360 HD13 ILE 56 2HD1 ILE 56 7.649 -3.493 5.186 361 H THR 57 H THR 57 10.386 -3.236 -0.704 362 HA THR 57 HA THR 57 13.210 -2.433 -0.637 363 HB THR 57 HB THR 57 11.905 -3.765 -3.018 364 HG1 THR 57 1HG THR 57 14.006 -4.763 -1.376 365 HG21 THR 57 3HG2 THR 57 14.443 -3.832 -3.661 366 HG22 THR 57 1HG2 THR 57 14.557 -2.468 -2.550 367 HG23 THR 57 2HG2 THR 57 13.494 -2.376 -3.954 368 H PHE 58 H PHE 58 13.399 -0.341 -1.060 369 HA PHE 58 HA PHE 58 11.340 0.947 -2.728 370 HB2 PHE 58 1HB PHE 58 11.460 1.563 -0.235 371 HB3 PHE 58 2HB PHE 58 12.965 2.382 -0.638 372 HD1 PHE 58 2HD PHE 58 12.956 4.338 -2.116 373 HD2 PHE 58 1HD PHE 58 9.345 2.465 -0.864 374 HE1 PHE 58 2HE PHE 58 11.687 6.331 -2.805 375 HE2 PHE 58 1HE PHE 58 8.071 4.455 -1.551 376 HZ PHE 58 HZ PHE 58 9.242 6.391 -2.522 377 H ASP 59 H ASP 59 12.063 1.650 -4.614 378 HA ASP 59 HA ASP 59 14.781 2.736 -4.792 379 HB2 ASP 59 1HB ASP 59 15.314 1.499 -6.758 380 HB3 ASP 59 2HB ASP 59 14.719 0.331 -5.581 381 H ASP 60 H ASP 60 14.457 4.791 -5.325 382 HA ASP 60 HA ASP 60 12.163 5.754 -6.674 383 HB2 ASP 60 1HB ASP 60 13.221 7.325 -5.293 384 HB3 ASP 60 2HB ASP 60 14.816 6.963 -5.944 385 H HIS 61 H HIS 61 11.731 5.179 -8.708 386 HA HIS 61 HA HIS 61 13.880 4.850 -10.640 387 HB2 HIS 61 1HB HIS 61 12.208 3.148 -10.720 388 HB3 HIS 61 2HB HIS 61 10.908 4.335 -10.761 389 HD1 HIS 61 1HD HIS 61 10.103 5.041 -13.015 390 HD2 HIS 61 2HD HIS 61 13.758 3.075 -13.188 391 HE1 HIS 61 1HE HIS 61 10.578 4.718 -15.464 392 H LYS 62 H LYS 62 10.857 6.721 -10.390 393 HA LYS 62 HA LYS 62 12.127 8.843 -11.968 394 HB2 LYS 62 1HB LYS 62 9.462 7.548 -12.516 395 HB3 LYS 62 2HB LYS 62 9.855 9.158 -13.102 396 HG2 LYS 62 1HG LYS 62 11.694 6.884 -13.688 397 HG3 LYS 62 2HG LYS 62 10.215 7.089 -14.630 398 HD2 LYS 62 1HD LYS 62 12.045 9.416 -14.216 399 HD3 LYS 62 2HD LYS 62 12.441 8.196 -15.429 400 HE2 LYS 62 1HE LYS 62 9.742 9.506 -15.324 401 HE3 LYS 62 2HE LYS 62 11.095 10.241 -16.183 402 HZ1 LYS 62 3HZ LYS 62 10.310 9.019 -17.877 403 HZ2 LYS 62 1HZ LYS 62 9.505 7.918 -16.876 404 HZ3 LYS 62 2HZ LYS 62 11.167 7.758 -17.146 405 H ASN 63 H ASN 63 10.595 10.847 -11.959 406 HA ASN 63 HA ASN 63 10.205 11.550 -9.216 407 HB2 ASN 63 1HB ASN 63 9.392 13.111 -11.676 408 HB3 ASN 63 2HB ASN 63 9.618 13.747 -10.050 409 HD21 ASN 63 1HD2 ASN 63 11.280 15.093 -10.269 410 HD22 ASN 63 2HD2 ASN 63 12.832 14.665 -10.898 411 H GLY 64 H GLY 64 8.160 10.457 -11.806 412 HA2 GLY 64 1HA GLY 64 5.685 11.315 -10.663 413 HA3 GLY 64 2HA GLY 64 5.882 10.140 -11.955 414 H SER 65 H SER 65 7.112 8.059 -10.980 415 HA SER 65 HA SER 65 5.620 7.296 -8.555 416 HB2 SER 65 1HB SER 65 6.075 5.747 -11.103 417 HB3 SER 65 2HB SER 65 5.644 4.946 -9.591 418 HG SER 65 HG SER 65 3.716 6.030 -9.572 419 H CYS 66 H CYS 66 6.583 5.406 -7.409 420 HA CYS 66 HA CYS 66 9.524 5.509 -7.560 421 HB2 CYS 66 1HB CYS 66 9.499 4.982 -5.122 422 HB3 CYS 66 2HB CYS 66 8.774 6.537 -5.512 423 HG CYS 66 HG CYS 66 7.327 5.317 -3.435 424 H GLY 67 H GLY 67 6.702 3.467 -7.016 425 HA2 GLY 67 1HA GLY 67 6.419 1.224 -7.494 426 HA3 GLY 67 2HA GLY 67 8.060 1.192 -8.120 427 H VAL 68 H VAL 68 6.014 0.447 -5.487 428 HA VAL 68 HA VAL 68 8.339 -0.343 -3.856 429 HB VAL 68 HB VAL 68 5.509 0.186 -2.938 430 HG11 VAL 68 1HG1 VAL 68 7.263 -1.496 -1.764 431 HG12 VAL 68 2HG1 VAL 68 7.719 0.027 -0.997 432 HG13 VAL 68 3HG1 VAL 68 6.058 -0.558 -0.881 433 HG21 VAL 68 3HG2 VAL 68 7.441 1.896 -1.733 434 HG22 VAL 68 1HG2 VAL 68 7.634 1.975 -3.485 435 HG23 VAL 68 2HG2 VAL 68 6.069 2.328 -2.753 436 H SER 69 H SER 69 8.588 -2.430 -3.272 437 HA SER 69 HA SER 69 6.423 -4.314 -3.920 438 HB2 SER 69 1HB SER 69 8.499 -4.180 -5.543 439 HB3 SER 69 2HB SER 69 9.276 -5.144 -4.287 440 HG SER 69 HG SER 69 7.165 -6.428 -4.534 441 H TYR 70 H TYR 70 6.327 -6.200 -2.648 442 HA TYR 70 HA TYR 70 8.154 -6.457 -0.401 443 HB2 TYR 70 1HB TYR 70 6.465 -6.338 1.299 444 HB3 TYR 70 2HB TYR 70 6.348 -4.873 0.329 445 HD1 TYR 70 2HD TYR 70 4.439 -4.508 -1.145 446 HD2 TYR 70 1HD TYR 70 4.708 -8.003 1.265 447 HE1 TYR 70 2HE TYR 70 2.052 -4.954 -1.537 448 HE2 TYR 70 1HE TYR 70 2.322 -8.461 0.879 449 HH TYR 70 HH TYR 70 0.395 -6.444 -1.298 450 H ILE 71 H ILE 71 8.388 -8.526 0.270 451 HA ILE 71 HA ILE 71 6.621 -10.533 -0.972 452 HB ILE 71 HB ILE 71 9.567 -10.631 -0.374 453 HG12 ILE 71 1HG1 ILE 71 8.073 -11.389 -2.885 454 HG13 ILE 71 2HG1 ILE 71 8.645 -9.753 -2.577 455 HG21 ILE 71 1HG2 ILE 71 9.156 -13.075 -1.345 456 HG22 ILE 71 2HG2 ILE 71 9.119 -12.725 0.382 457 HG23 ILE 71 3HG2 ILE 71 7.612 -12.851 -0.523 458 HD11 ILE 71 3HD1 ILE 71 10.747 -11.688 -2.186 459 HD12 ILE 71 1HD1 ILE 71 10.041 -11.810 -3.798 460 HD13 ILE 71 2HD1 ILE 71 10.694 -10.271 -3.234 461 H ALA 72 H ALA 72 5.660 -12.020 0.295 462 HA ALA 72 HA ALA 72 6.229 -11.890 3.181 463 HB1 ALA 72 3HB ALA 72 3.965 -12.597 3.570 464 HB2 ALA 72 1HB ALA 72 3.951 -11.223 2.463 465 HB3 ALA 72 2HB ALA 72 3.706 -12.857 1.845 466 H GLN 73 H GLN 73 7.559 -13.489 3.752 467 HA GLN 73 HA GLN 73 7.968 -15.881 2.380 468 HB2 GLN 73 1HB GLN 73 8.361 -15.544 5.350 469 HB3 GLN 73 2HB GLN 73 9.247 -16.599 4.257 470 HG2 GLN 73 1HG GLN 73 9.472 -13.652 4.641 471 HG3 GLN 73 2HG GLN 73 10.735 -14.881 4.604 472 HE21 GLN 73 1HE2 GLN 73 10.092 -16.191 2.264 473 HE22 GLN 73 2HE2 GLN 73 10.341 -15.124 0.928 474 H GLU 74 H GLU 74 5.609 -15.018 4.803 475 HA GLU 74 HA GLU 74 4.471 -17.727 4.584 476 HB2 GLU 74 1HB GLU 74 4.152 -15.977 7.013 477 HB3 GLU 74 2HB GLU 74 3.815 -17.695 6.858 478 HG2 GLU 74 1HG GLU 74 6.362 -17.878 6.373 479 HG3 GLU 74 2HG GLU 74 6.433 -16.300 7.155 480 HA PRO 75 HA PRO 75 0.821 -15.770 3.096 481 HB2 PRO 75 1HB PRO 75 -0.983 -17.707 3.696 482 HB3 PRO 75 2HB PRO 75 0.180 -17.854 2.373 483 HG2 PRO 75 1HG PRO 75 0.302 -18.995 5.138 484 HG3 PRO 75 2HG PRO 75 0.710 -19.762 3.592 485 HD2 PRO 75 1HD PRO 75 2.591 -18.764 5.264 486 HD3 PRO 75 2HD PRO 75 2.784 -18.762 3.499 487 H GLY 76 H GLY 76 -1.227 -14.905 3.792 488 HA2 GLY 76 1HA GLY 76 -2.692 -15.003 5.958 489 HA3 GLY 76 2HA GLY 76 -1.233 -14.326 6.666 490 H ASN 77 H ASN 77 -3.035 -12.683 7.168 491 HA ASN 77 HA ASN 77 -3.475 -10.837 4.940 492 HB2 ASN 77 1HB ASN 77 -5.142 -9.781 6.329 493 HB3 ASN 77 2HB ASN 77 -5.401 -11.523 6.376 494 HD21 ASN 77 1HD2 ASN 77 -5.925 -9.169 8.245 495 HD22 ASN 77 2HD2 ASN 77 -5.344 -9.729 9.773 496 H TYR 78 H TYR 78 -1.585 -9.729 4.687 497 HA TYR 78 HA TYR 78 -0.228 -8.594 6.986 498 HB2 TYR 78 1HB TYR 78 0.353 -8.588 4.026 499 HB3 TYR 78 2HB TYR 78 1.308 -7.658 5.176 500 HD1 TYR 78 2HD TYR 78 0.287 -11.087 4.227 501 HD2 TYR 78 1HD TYR 78 2.975 -8.696 6.499 502 HE1 TYR 78 2HE TYR 78 1.664 -13.074 4.680 503 HE2 TYR 78 1HE TYR 78 4.359 -10.677 6.959 504 HH TYR 78 HH TYR 78 3.441 -13.644 6.773 505 H GLU 79 H GLU 79 -0.739 -6.690 7.814 506 HA GLU 79 HA GLU 79 -2.370 -4.835 6.261 507 HB2 GLU 79 1HB GLU 79 -2.723 -5.592 8.762 508 HB3 GLU 79 2HB GLU 79 -1.557 -4.317 9.090 509 HG2 GLU 79 1HG GLU 79 -3.129 -2.858 7.634 510 HG3 GLU 79 2HG GLU 79 -4.317 -4.114 7.974 511 H VAL 80 H VAL 80 -1.104 -3.683 4.905 512 HA VAL 80 HA VAL 80 1.457 -2.641 5.772 513 HB VAL 80 HB VAL 80 0.003 -2.137 3.172 514 HG11 VAL 80 1HG1 VAL 80 2.740 -1.517 4.191 515 HG12 VAL 80 2HG1 VAL 80 2.497 -1.826 2.471 516 HG13 VAL 80 3HG1 VAL 80 1.632 -0.509 3.262 517 HG21 VAL 80 3HG2 VAL 80 2.281 -4.031 3.354 518 HG22 VAL 80 1HG2 VAL 80 0.712 -4.578 3.944 519 HG23 VAL 80 2HG2 VAL 80 0.886 -4.037 2.275 520 H SER 81 H SER 81 1.487 -0.899 7.030 521 HA SER 81 HA SER 81 -0.641 1.066 6.916 522 HB2 SER 81 1HB SER 81 0.242 0.380 9.100 523 HB3 SER 81 2HB SER 81 1.847 0.950 8.641 524 HG SER 81 HG SER 81 -0.258 2.761 8.435 525 H ILE 82 H ILE 82 -0.597 2.744 5.592 526 HA ILE 82 HA ILE 82 2.014 3.738 4.657 527 HB ILE 82 HB ILE 82 -0.674 3.773 3.292 528 HG12 ILE 82 1HG1 ILE 82 1.991 2.546 2.550 529 HG13 ILE 82 2HG1 ILE 82 0.565 1.673 3.099 530 HG21 ILE 82 1HG2 ILE 82 0.554 4.911 1.422 531 HG22 ILE 82 2HG2 ILE 82 0.289 5.903 2.855 532 HG23 ILE 82 3HG2 ILE 82 1.874 5.195 2.556 533 HD11 ILE 82 3HD1 ILE 82 -0.387 3.072 0.951 534 HD12 ILE 82 1HD1 ILE 82 1.254 2.661 0.453 535 HD13 ILE 82 2HD1 ILE 82 0.133 1.388 0.937 536 H LYS 83 H LYS 83 2.597 5.630 5.466 537 HA LYS 83 HA LYS 83 0.492 7.541 6.246 538 HB2 LYS 83 1HB LYS 83 3.059 6.761 7.552 539 HB3 LYS 83 2HB LYS 83 2.521 8.427 7.712 540 HG2 LYS 83 1HG LYS 83 0.256 7.267 8.400 541 HG3 LYS 83 2HG LYS 83 1.338 5.934 8.809 542 HD2 LYS 83 1HD LYS 83 1.803 8.748 9.767 543 HD3 LYS 83 2HD LYS 83 0.813 7.593 10.663 544 HE2 LYS 83 1HE LYS 83 3.614 6.938 9.801 545 HE3 LYS 83 2HE LYS 83 3.288 7.809 11.300 546 HZ1 LYS 83 3HZ LYS 83 2.655 5.945 12.304 547 HZ2 LYS 83 1HZ LYS 83 3.315 5.102 10.992 548 HZ3 LYS 83 2HZ LYS 83 1.664 5.470 11.017 549 H PHE 84 H PHE 84 0.462 9.418 5.201 550 HA PHE 84 HA PHE 84 2.730 10.087 3.471 551 HB2 PHE 84 1HB PHE 84 0.477 9.919 2.444 552 HB3 PHE 84 2HB PHE 84 -0.070 11.232 3.481 553 HD1 PHE 84 2HD PHE 84 2.812 10.573 1.196 554 HD2 PHE 84 1HD PHE 84 -0.230 13.269 2.460 555 HE1 PHE 84 2HE PHE 84 3.567 12.206 -0.483 556 HE2 PHE 84 1HE PHE 84 0.520 14.906 0.782 557 HZ PHE 84 HZ PHE 84 2.421 14.376 -0.691 558 H ASN 85 H ASN 85 4.035 11.744 3.903 559 HA ASN 85 HA ASN 85 5.024 13.387 5.157 560 HB2 ASN 85 1HB ASN 85 3.804 15.495 5.127 561 HB3 ASN 85 2HB ASN 85 3.580 14.652 3.597 562 HD21 ASN 85 1HD2 ASN 85 1.614 14.987 2.876 563 HD22 ASN 85 2HD2 ASN 85 0.164 14.964 3.815 564 H ASP 86 H ASP 86 3.957 11.324 6.769 565 HA ASP 86 HA ASP 86 3.699 10.891 8.994 566 HB2 ASP 86 1HB ASP 86 3.615 13.827 9.615 567 HB3 ASP 86 2HB ASP 86 4.256 12.505 10.587 568 H GLU 87 H GLU 87 1.476 11.105 7.264 569 HA GLU 87 HA GLU 87 -0.601 11.657 9.239 570 HB2 GLU 87 1HB GLU 87 -0.264 13.070 6.645 571 HB3 GLU 87 2HB GLU 87 -1.899 12.624 7.112 572 HG2 GLU 87 1HG GLU 87 -1.592 13.824 9.239 573 HG3 GLU 87 2HG GLU 87 0.012 14.318 8.704 574 H HIS 88 H HIS 88 -2.229 10.209 9.200 575 HA HIS 88 HA HIS 88 -1.975 7.937 7.448 576 HB2 HIS 88 1HB HIS 88 -3.560 8.617 9.866 577 HB3 HIS 88 2HB HIS 88 -4.237 7.400 8.787 578 HD2 HIS 88 2HD HIS 88 -1.214 7.851 11.217 579 HE1 HIS 88 1HE HIS 88 -1.373 3.793 9.988 580 HE2 HIS 88 2HE HIS 88 -0.340 5.445 11.585 581 H ILE 89 H ILE 89 -3.037 7.586 5.610 582 HA ILE 89 HA ILE 89 -4.979 9.546 4.708 583 HB ILE 89 HB ILE 89 -4.911 7.887 2.641 584 HG12 ILE 89 1HG1 ILE 89 -2.148 7.462 3.755 585 HG13 ILE 89 2HG1 ILE 89 -3.445 6.320 4.089 586 HG21 ILE 89 1HG2 ILE 89 -4.201 10.238 2.667 587 HG22 ILE 89 2HG2 ILE 89 -2.638 9.747 3.319 588 HG23 ILE 89 3HG2 ILE 89 -3.120 9.231 1.703 589 HD11 ILE 89 3HD1 ILE 89 -2.684 5.314 2.243 590 HD12 ILE 89 1HD1 ILE 89 -3.647 6.532 1.407 591 HD13 ILE 89 2HD1 ILE 89 -1.915 6.778 1.633 592 HA PRO 90 HA PRO 90 -8.640 7.215 5.359 593 HB2 PRO 90 1HB PRO 90 -10.067 7.738 3.110 594 HB3 PRO 90 2HB PRO 90 -9.796 8.940 4.377 595 HG2 PRO 90 1HG PRO 90 -8.372 8.585 1.769 596 HG3 PRO 90 2HG PRO 90 -8.925 10.079 2.546 597 HD2 PRO 90 1HD PRO 90 -6.348 9.256 2.642 598 HD3 PRO 90 2HD PRO 90 -7.112 10.163 3.965 599 H GLU 91 H GLU 91 -6.373 6.253 3.180 600 HA GLU 91 HA GLU 91 -7.941 3.890 2.373 601 HB2 GLU 91 1HB GLU 91 -5.636 5.225 0.947 602 HB3 GLU 91 2HB GLU 91 -6.345 3.691 0.464 603 HG2 GLU 91 1HG GLU 91 -8.563 5.080 0.429 604 HG3 GLU 91 2HG GLU 91 -7.458 6.442 0.264 605 H SER 92 H SER 92 -5.824 4.799 4.594 606 HA SER 92 HA SER 92 -4.492 2.179 4.620 607 HB2 SER 92 1HB SER 92 -2.385 3.045 4.947 608 HB3 SER 92 2HB SER 92 -3.065 4.320 3.935 609 HG SER 92 HG SER 92 -2.625 4.300 6.716 610 HA PRO 93 HA PRO 93 -2.738 1.477 6.094 611 HB2 PRO 93 1HB PRO 93 -3.049 -0.824 7.499 612 HB3 PRO 93 2HB PRO 93 -2.183 0.578 8.135 613 HG2 PRO 93 1HG PRO 93 -4.994 -0.307 8.655 614 HG3 PRO 93 2HG PRO 93 -3.784 0.303 9.798 615 HD2 PRO 93 1HD PRO 93 -5.775 1.854 8.820 616 HD3 PRO 93 2HD PRO 93 -4.175 2.502 9.234 617 H TYR 94 H TYR 94 -2.632 -0.505 4.824 618 HA TYR 94 HA TYR 94 -5.235 -1.133 3.630 619 HB2 TYR 94 1HB TYR 94 -2.420 -1.497 2.591 620 HB3 TYR 94 2HB TYR 94 -3.861 -2.043 1.741 621 HD1 TYR 94 2HD TYR 94 -2.326 1.031 3.192 622 HD2 TYR 94 1HD TYR 94 -4.922 -0.612 0.248 623 HE1 TYR 94 2HE TYR 94 -2.549 3.251 2.157 624 HE2 TYR 94 1HE TYR 94 -5.151 1.603 -0.796 625 HH TYR 94 HH TYR 94 -3.788 4.481 0.685 626 H LEU 95 H LEU 95 -5.845 -3.284 3.191 627 HA LEU 95 HA LEU 95 -4.451 -5.292 4.837 628 HB2 LEU 95 1HB LEU 95 -6.759 -4.553 5.572 629 HB3 LEU 95 2HB LEU 95 -7.370 -5.332 4.114 630 HG LEU 95 HG LEU 95 -6.632 -7.490 4.906 631 HD11 LEU 95 1HD1 LEU 95 -5.010 -5.882 6.676 632 HD12 LEU 95 2HD1 LEU 95 -4.853 -7.580 6.233 633 HD13 LEU 95 3HD1 LEU 95 -5.915 -7.111 7.561 634 HD21 LEU 95 3HD2 LEU 95 -8.776 -6.241 5.789 635 HD22 LEU 95 1HD2 LEU 95 -7.925 -6.348 7.330 636 HD23 LEU 95 2HD2 LEU 95 -8.306 -7.816 6.430 637 H VAL 96 H VAL 96 -3.233 -6.393 3.407 638 HA VAL 96 HA VAL 96 -4.486 -7.301 0.906 639 HB VAL 96 HB VAL 96 -1.556 -7.538 1.526 640 HG11 VAL 96 1HG1 VAL 96 -3.074 -8.457 -0.552 641 HG12 VAL 96 2HG1 VAL 96 -2.459 -6.931 -1.188 642 HG13 VAL 96 3HG1 VAL 96 -1.336 -8.164 -0.613 643 HG21 VAL 96 3HG2 VAL 96 -2.852 -5.162 0.199 644 HG22 VAL 96 1HG2 VAL 96 -2.301 -5.182 1.874 645 HG23 VAL 96 2HG2 VAL 96 -1.141 -5.385 0.561 646 HA PRO 97 HA PRO 97 -4.716 -11.199 3.188 647 HB2 PRO 97 1HB PRO 97 -6.473 -12.347 1.467 648 HB3 PRO 97 2HB PRO 97 -6.968 -11.219 2.734 649 HG2 PRO 97 1HG PRO 97 -6.517 -10.713 -0.181 650 HG3 PRO 97 2HG PRO 97 -7.824 -10.131 0.865 651 HD2 PRO 97 1HD PRO 97 -5.704 -8.589 0.187 652 HD3 PRO 97 2HD PRO 97 -6.532 -8.441 1.751 653 H VAL 98 H VAL 98 -2.553 -11.786 2.680 654 HA VAL 98 HA VAL 98 -1.912 -12.817 0.061 655 HB VAL 98 HB VAL 98 -0.321 -12.873 2.629 656 HG11 VAL 98 1HG1 VAL 98 0.444 -13.593 -0.195 657 HG12 VAL 98 2HG1 VAL 98 1.604 -13.335 1.110 658 HG13 VAL 98 3HG1 VAL 98 0.433 -14.652 1.215 659 HG21 VAL 98 3HG2 VAL 98 -0.499 -10.625 2.037 660 HG22 VAL 98 1HG2 VAL 98 1.023 -11.127 1.298 661 HG23 VAL 98 2HG2 VAL 98 -0.431 -10.976 0.309 662 H ILE 99 H ILE 99 -1.486 -14.952 -0.480 663 HA ILE 99 HA ILE 99 -2.094 -17.015 1.505 664 HB ILE 99 HB ILE 99 -3.521 -18.232 -0.099 665 HG12 ILE 99 1HG1 ILE 99 -3.848 -15.735 -1.710 666 HG13 ILE 99 2HG1 ILE 99 -2.477 -16.786 -2.051 667 HG21 ILE 99 1HG2 ILE 99 -5.443 -17.167 0.540 668 HG22 ILE 99 2HG2 ILE 99 -4.290 -16.416 1.642 669 HG23 ILE 99 3HG2 ILE 99 -4.803 -15.563 0.186 670 HD11 ILE 99 3HD1 ILE 99 -4.442 -18.605 -2.028 671 HD12 ILE 99 1HD1 ILE 99 -5.349 -17.188 -2.556 672 HD13 ILE 99 2HD1 ILE 99 -3.942 -17.725 -3.473 673 H ALA 100 H ALA 100 -1.303 -19.117 0.955 674 HA ALA 100 HA ALA 100 1.144 -19.011 -0.567 675 HB1 ALA 100 3HB ALA 100 0.246 -21.626 0.416 676 HB2 ALA 100 1HB ALA 100 1.786 -20.795 0.635 677 HB3 ALA 100 2HB ALA 100 0.406 -20.381 1.653 678 HA PRO 101 HA PRO 101 -0.922 -20.360 -4.297 679 HB2 PRO 101 1HB PRO 101 1.301 -20.296 -5.855 680 HB3 PRO 101 2HB PRO 101 0.401 -18.843 -5.405 681 HG2 PRO 101 1HG PRO 101 2.909 -19.962 -4.214 682 HG3 PRO 101 2HG PRO 101 2.510 -18.278 -4.602 683 HD2 PRO 101 1HD PRO 101 2.353 -19.270 -2.088 684 HD3 PRO 101 2HD PRO 101 1.266 -17.998 -2.682 685 H SER 102 H SER 102 -1.396 -22.406 -4.763 686 HA SER 102 HA SER 102 0.644 -24.472 -4.289 687 HB2 SER 102 1HB SER 102 -1.618 -24.506 -3.046 688 HB3 SER 102 2HB SER 102 -2.306 -25.006 -4.591 689 HG SER 102 HG SER 102 -1.657 -26.933 -4.108 690 H ASP 103 H ASP 103 1.682 -24.863 -6.144 691 HA ASP 103 HA ASP 103 0.148 -25.000 -8.639 692 HB2 ASP 103 1HB ASP 103 2.370 -23.640 -8.280 693 HB3 ASP 103 2HB ASP 103 3.133 -25.206 -8.540 694 H ASP 104 H ASP 104 0.075 -26.820 -9.899 695 HA ASP 104 HA ASP 104 0.941 -29.296 -8.584 696 HB2 ASP 104 1HB ASP 104 -1.490 -28.915 -9.266 697 HB3 ASP 104 2HB ASP 104 -0.941 -29.083 -10.931 698 H ALA 105 H ALA 105 2.659 -30.338 -9.326 699 HA ALA 105 HA ALA 105 3.514 -29.841 -12.103 700 HB1 ALA 105 3HB ALA 105 5.088 -28.937 -10.481 701 HB2 ALA 105 1HB ALA 105 5.223 -30.518 -9.711 702 HB3 ALA 105 2HB ALA 105 5.804 -30.287 -11.360 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -22.818 26.577 -6.382 2 HA2 GLY 1 1HA GLY 1 -21.279 25.766 -8.626 3 HA3 GLY 1 2HA GLY 1 -20.882 27.072 -7.517 4 H SER 2 H SER 2 -18.783 25.780 -8.404 5 HA SER 2 HA SER 2 -18.084 23.818 -6.321 6 HB2 SER 2 1HB SER 2 -17.299 24.081 -9.193 7 HB3 SER 2 2HB SER 2 -16.146 23.367 -8.067 8 HG SER 2 HG SER 2 -18.816 22.480 -8.126 9 H SER 3 H SER 3 -16.279 24.112 -5.090 10 HA SER 3 HA SER 3 -14.911 26.700 -5.405 11 HB2 SER 3 1HB SER 3 -15.715 25.113 -2.997 12 HB3 SER 3 2HB SER 3 -14.320 26.186 -2.893 13 HG SER 3 HG SER 3 -17.018 26.788 -3.168 14 H GLY 4 H GLY 4 -12.679 26.814 -5.262 15 HA2 GLY 4 1HA GLY 4 -10.740 25.246 -4.426 16 HA3 GLY 4 2HA GLY 4 -11.309 24.279 -5.780 17 H SER 5 H SER 5 -9.805 27.309 -4.847 18 HA SER 5 HA SER 5 -8.960 27.694 -7.643 19 HB2 SER 5 1HB SER 5 -8.667 30.068 -7.102 20 HB3 SER 5 2HB SER 5 -10.315 29.549 -6.747 21 HG SER 5 HG SER 5 -8.559 30.664 -5.101 22 H SER 6 H SER 6 -7.854 28.139 -4.288 23 HA SER 6 HA SER 6 -5.125 28.479 -4.977 24 HB2 SER 6 1HB SER 6 -4.680 28.312 -2.606 25 HB3 SER 6 2HB SER 6 -6.159 29.246 -2.832 26 HG SER 6 HG SER 6 -5.885 26.564 -1.980 27 H GLY 7 H GLY 7 -6.897 25.705 -3.605 28 HA2 GLY 7 1HA GLY 7 -6.497 23.484 -4.493 29 HA3 GLY 7 2HA GLY 7 -4.826 23.955 -4.769 30 H GLU 8 H GLU 8 -7.078 23.959 -1.998 31 HA GLU 8 HA GLU 8 -4.925 23.242 -0.208 32 HB2 GLU 8 1HB GLU 8 -7.883 23.555 0.334 33 HB3 GLU 8 2HB GLU 8 -6.626 23.389 1.553 34 HG2 GLU 8 1HG GLU 8 -5.606 25.494 0.540 35 HG3 GLU 8 2HG GLU 8 -7.148 25.692 -0.291 36 H GLY 9 H GLY 9 -4.242 21.198 -0.194 37 HA2 GLY 9 1HA GLY 9 -6.243 19.082 0.157 38 HA3 GLY 9 2HA GLY 9 -5.087 18.921 -1.158 39 H GLY 10 H GLY 10 -5.016 16.896 0.480 40 HA2 GLY 10 1HA GLY 10 -2.412 17.067 1.670 41 HA3 GLY 10 2HA GLY 10 -3.687 16.945 2.874 42 H ALA 11 H ALA 11 -3.426 14.930 3.650 43 HA ALA 11 HA ALA 11 -2.640 12.689 2.138 44 HB1 ALA 11 3HB ALA 11 -3.213 13.255 4.846 45 HB2 ALA 11 1HB ALA 11 -4.181 11.854 4.383 46 HB3 ALA 11 2HB ALA 11 -2.430 11.827 4.169 47 H HIS 12 H HIS 12 -5.846 13.351 3.564 48 HA HIS 12 HA HIS 12 -7.342 11.373 2.519 49 HB2 HIS 12 1HB HIS 12 -9.262 12.881 2.527 50 HB3 HIS 12 2HB HIS 12 -8.248 13.174 3.935 51 HD1 HIS 12 1HD HIS 12 -6.209 15.116 2.949 52 HD2 HIS 12 2HD HIS 12 -10.193 15.303 1.788 53 HE1 HIS 12 1HE HIS 12 -6.585 17.492 2.213 54 H LYS 13 H LYS 13 -5.876 13.961 0.735 55 HA LYS 13 HA LYS 13 -7.376 13.346 -1.685 56 HB2 LYS 13 1HB LYS 13 -5.156 15.345 -1.212 57 HB3 LYS 13 2HB LYS 13 -6.113 15.206 -2.680 58 HG2 LYS 13 1HG LYS 13 -7.474 15.674 -0.067 59 HG3 LYS 13 2HG LYS 13 -6.696 17.014 -0.911 60 HD2 LYS 13 1HD LYS 13 -8.791 17.159 -1.812 61 HD3 LYS 13 2HD LYS 13 -8.052 16.042 -2.963 62 HE2 LYS 13 1HE LYS 13 -9.153 14.201 -2.073 63 HE3 LYS 13 2HE LYS 13 -9.457 15.003 -0.533 64 HZ1 LYS 13 3HZ LYS 13 -10.857 16.581 -2.073 65 HZ2 LYS 13 1HZ LYS 13 -11.508 15.142 -1.469 66 HZ3 LYS 13 2HZ LYS 13 -10.926 15.206 -3.055 67 H VAL 14 H VAL 14 -5.690 11.291 -0.577 68 HA VAL 14 HA VAL 14 -3.861 10.941 -2.855 69 HB VAL 14 HB VAL 14 -3.257 10.322 0.038 70 HG11 VAL 14 1HG1 VAL 14 -1.884 8.697 -0.596 71 HG12 VAL 14 2HG1 VAL 14 -2.445 8.887 -2.259 72 HG13 VAL 14 3HG1 VAL 14 -1.049 9.802 -1.688 73 HG21 VAL 14 3HG2 VAL 14 -2.907 12.665 -1.009 74 HG22 VAL 14 1HG2 VAL 14 -1.597 11.939 -0.078 75 HG23 VAL 14 2HG2 VAL 14 -1.547 11.909 -1.840 76 H ARG 15 H ARG 15 -4.761 9.358 -4.009 77 HA ARG 15 HA ARG 15 -5.928 7.061 -2.591 78 HB2 ARG 15 1HB ARG 15 -7.286 8.452 -4.282 79 HB3 ARG 15 2HB ARG 15 -6.305 7.667 -5.512 80 HG2 ARG 15 1HG ARG 15 -8.302 6.425 -5.356 81 HG3 ARG 15 2HG ARG 15 -7.058 5.466 -4.550 82 HD2 ARG 15 1HD ARG 15 -8.766 5.320 -3.024 83 HD3 ARG 15 2HD ARG 15 -7.903 6.733 -2.417 84 HE ARG 15 HE ARG 15 -9.757 7.978 -2.864 85 HH11 ARG 15 1HH1 ARG 15 -9.885 5.078 -4.784 86 HH12 ARG 15 2HH1 ARG 15 -11.465 5.408 -5.413 87 HH21 ARG 15 1HH2 ARG 15 -11.838 8.425 -3.685 88 HH22 ARG 15 2HH2 ARG 15 -12.575 7.313 -4.788 89 H ALA 16 H ALA 16 -4.870 5.196 -2.609 90 HA ALA 16 HA ALA 16 -2.792 4.783 -4.659 91 HB1 ALA 16 3HB ALA 16 -2.872 4.070 -1.754 92 HB2 ALA 16 1HB ALA 16 -1.848 3.170 -2.873 93 HB3 ALA 16 2HB ALA 16 -1.616 4.906 -2.665 94 H GLY 17 H GLY 17 -2.947 3.043 -5.940 95 HA2 GLY 17 1HA GLY 17 -4.594 0.773 -5.086 96 HA3 GLY 17 2HA GLY 17 -5.033 1.592 -6.578 97 H GLY 18 H GLY 18 -4.528 0.202 -8.159 98 HA2 GLY 18 1HA GLY 18 -3.020 -0.719 -9.688 99 HA3 GLY 18 2HA GLY 18 -1.725 -0.469 -8.527 100 HA PRO 19 HA PRO 19 -3.302 -4.969 -8.668 101 HB2 PRO 19 1HB PRO 19 -1.305 -6.061 -10.148 102 HB3 PRO 19 2HB PRO 19 -2.797 -5.434 -10.860 103 HG2 PRO 19 1HG PRO 19 -0.107 -4.137 -10.651 104 HG3 PRO 19 2HG PRO 19 -1.229 -4.169 -12.023 105 HD2 PRO 19 1HD PRO 19 -1.006 -2.034 -10.372 106 HD3 PRO 19 2HD PRO 19 -2.536 -2.480 -11.155 107 H GLY 20 H GLY 20 -2.790 -5.218 -6.517 108 HA2 GLY 20 1HA GLY 20 -0.688 -6.729 -5.698 109 HA3 GLY 20 2HA GLY 20 -0.061 -5.091 -5.593 110 H LEU 21 H LEU 21 -2.768 -4.048 -4.916 111 HA LEU 21 HA LEU 21 -2.617 -4.624 -2.061 112 HB2 LEU 21 1HB LEU 21 -4.078 -2.516 -3.640 113 HB3 LEU 21 2HB LEU 21 -4.224 -2.703 -1.893 114 HG LEU 21 HG LEU 21 -1.592 -2.179 -3.255 115 HD11 LEU 21 1HD1 LEU 21 -3.821 -0.361 -2.742 116 HD12 LEU 21 2HD1 LEU 21 -2.406 -0.162 -3.774 117 HD13 LEU 21 3HD1 LEU 21 -2.289 0.168 -2.046 118 HD21 LEU 21 3HD2 LEU 21 -2.200 -2.966 -0.690 119 HD22 LEU 21 1HD2 LEU 21 -2.043 -1.216 -0.546 120 HD23 LEU 21 2HD2 LEU 21 -0.713 -2.169 -1.204 121 H GLU 22 H GLU 22 -4.479 -5.476 -4.773 122 HA GLU 22 HA GLU 22 -6.985 -5.890 -3.492 123 HB2 GLU 22 1HB GLU 22 -7.558 -7.196 -5.496 124 HB3 GLU 22 2HB GLU 22 -6.840 -5.645 -5.909 125 HG2 GLU 22 1HG GLU 22 -4.754 -6.673 -6.448 126 HG3 GLU 22 2HG GLU 22 -5.307 -8.229 -5.834 127 H ARG 23 H ARG 23 -4.188 -7.943 -4.145 128 HA ARG 23 HA ARG 23 -4.678 -9.624 -1.937 129 HB2 ARG 23 1HB ARG 23 -6.460 -10.305 -3.729 130 HB3 ARG 23 2HB ARG 23 -5.102 -11.113 -4.501 131 HG2 ARG 23 1HG ARG 23 -4.747 -12.139 -2.120 132 HG3 ARG 23 2HG ARG 23 -6.449 -11.719 -1.917 133 HD2 ARG 23 1HD ARG 23 -6.726 -12.908 -4.221 134 HD3 ARG 23 2HD ARG 23 -5.182 -13.654 -3.809 135 HE ARG 23 HE ARG 23 -6.281 -14.976 -2.312 136 HH11 ARG 23 1HH1 ARG 23 -8.274 -12.215 -3.034 137 HH12 ARG 23 2HH1 ARG 23 -9.633 -12.795 -2.129 138 HH21 ARG 23 1HH2 ARG 23 -8.062 -15.750 -1.117 139 HH22 ARG 23 2HH2 ARG 23 -9.511 -14.806 -1.038 140 H GLY 24 H GLY 24 -2.872 -10.762 -1.427 141 HA2 GLY 24 1HA GLY 24 -0.701 -10.726 -3.431 142 HA3 GLY 24 2HA GLY 24 -0.442 -10.557 -1.701 143 H GLU 25 H GLU 25 1.057 -12.392 -2.875 144 HA GLU 25 HA GLU 25 -0.161 -14.919 -1.999 145 HB2 GLU 25 1HB GLU 25 1.186 -14.319 -4.600 146 HB3 GLU 25 2HB GLU 25 1.361 -15.922 -3.901 147 HG2 GLU 25 1HG GLU 25 -0.454 -16.178 -5.291 148 HG3 GLU 25 2HG GLU 25 -1.213 -15.874 -3.730 149 H ALA 26 H ALA 26 1.132 -16.224 -0.805 150 HA ALA 26 HA ALA 26 3.448 -15.143 0.391 151 HB1 ALA 26 3HB ALA 26 2.787 -18.069 0.422 152 HB2 ALA 26 1HB ALA 26 3.536 -17.087 1.681 153 HB3 ALA 26 2HB ALA 26 1.820 -16.897 1.318 154 H GLY 27 H GLY 27 5.415 -14.974 -0.445 155 HA2 GLY 27 1HA GLY 27 7.421 -15.925 -1.285 156 HA3 GLY 27 2HA GLY 27 6.470 -17.185 -2.056 157 H VAL 28 H VAL 28 4.745 -14.594 -2.793 158 HA VAL 28 HA VAL 28 6.234 -14.120 -5.288 159 HB VAL 28 HB VAL 28 3.271 -13.864 -4.754 160 HG11 VAL 28 1HG1 VAL 28 4.243 -12.211 -6.385 161 HG12 VAL 28 2HG1 VAL 28 4.690 -13.587 -7.396 162 HG13 VAL 28 3HG1 VAL 28 2.992 -13.270 -7.036 163 HG21 VAL 28 3HG2 VAL 28 4.925 -16.076 -5.544 164 HG22 VAL 28 1HG2 VAL 28 3.192 -16.036 -5.217 165 HG23 VAL 28 2HG2 VAL 28 3.792 -15.673 -6.835 166 HA PRO 29 HA PRO 29 6.822 -9.950 -3.918 167 HB2 PRO 29 1HB PRO 29 7.707 -8.944 -6.279 168 HB3 PRO 29 2HB PRO 29 8.707 -9.958 -5.231 169 HG2 PRO 29 1HG PRO 29 7.159 -10.713 -7.679 170 HG3 PRO 29 2HG PRO 29 8.794 -11.197 -7.196 171 HD2 PRO 29 1HD PRO 29 6.641 -12.802 -6.855 172 HD3 PRO 29 2HD PRO 29 8.025 -12.812 -5.743 173 H ALA 30 H ALA 30 5.186 -8.589 -3.587 174 HA ALA 30 HA ALA 30 3.229 -8.150 -5.729 175 HB1 ALA 30 3HB ALA 30 2.939 -7.278 -2.868 176 HB2 ALA 30 1HB ALA 30 1.679 -7.503 -4.081 177 HB3 ALA 30 2HB ALA 30 2.518 -8.901 -3.410 178 H GLU 31 H GLU 31 3.982 -6.551 -7.014 179 HA GLU 31 HA GLU 31 5.105 -4.144 -5.788 180 HB2 GLU 31 1HB GLU 31 4.875 -4.686 -8.741 181 HB3 GLU 31 2HB GLU 31 5.974 -3.589 -7.917 182 HG2 GLU 31 1HG GLU 31 7.305 -5.353 -7.116 183 HG3 GLU 31 2HG GLU 31 6.085 -6.560 -7.518 184 H PHE 32 H PHE 32 4.269 -2.085 -6.144 185 HA PHE 32 HA PHE 32 1.841 -1.733 -7.667 186 HB2 PHE 32 1HB PHE 32 0.444 -1.021 -5.839 187 HB3 PHE 32 2HB PHE 32 1.054 -2.630 -5.468 188 HD1 PHE 32 1HD PHE 32 1.509 0.967 -4.743 189 HD2 PHE 32 2HD PHE 32 2.311 -3.033 -3.529 190 HE1 PHE 32 1HE PHE 32 2.371 1.796 -2.593 191 HE2 PHE 32 2HE PHE 32 3.173 -2.211 -1.376 192 HZ PHE 32 HZ PHE 32 3.204 0.207 -0.905 193 H SER 33 H SER 33 1.565 0.344 -8.326 194 HA SER 33 HA SER 33 3.699 2.209 -7.644 195 HB2 SER 33 1HB SER 33 1.638 2.116 -9.841 196 HB3 SER 33 2HB SER 33 2.600 3.563 -9.539 197 HG SER 33 HG SER 33 3.544 2.165 -11.109 198 H ILE 34 H ILE 34 3.383 4.229 -6.770 199 HA ILE 34 HA ILE 34 0.655 4.948 -5.956 200 HB ILE 34 HB ILE 34 1.845 5.806 -3.777 201 HG12 ILE 34 1HG1 ILE 34 3.487 3.335 -4.210 202 HG13 ILE 34 2HG1 ILE 34 4.071 4.888 -4.797 203 HG21 ILE 34 1HG2 ILE 34 0.969 2.989 -4.345 204 HG22 ILE 34 2HG2 ILE 34 1.346 3.559 -2.720 205 HG23 ILE 34 3HG2 ILE 34 0.033 4.303 -3.633 206 HD11 ILE 34 3HD1 ILE 34 5.013 4.431 -2.640 207 HD12 ILE 34 1HD1 ILE 34 3.884 5.779 -2.506 208 HD13 ILE 34 2HD1 ILE 34 3.410 4.173 -1.952 209 H TRP 35 H TRP 35 0.359 6.760 -7.108 210 HA TRP 35 HA TRP 35 2.462 8.821 -6.995 211 HB2 TRP 35 1HB TRP 35 1.878 9.552 -9.144 212 HB3 TRP 35 2HB TRP 35 1.782 7.798 -9.266 213 HD1 TRP 35 HD TRP 35 -0.305 10.921 -9.583 214 HE1 TRP 35 1HE TRP 35 -2.690 10.287 -10.315 215 HE3 TRP 35 3HE TRP 35 -0.017 5.850 -8.987 216 HZ2 TRP 35 2HZ TRP 35 -4.243 7.948 -10.601 217 HZ3 TRP 35 3HZ TRP 35 -1.998 4.488 -9.511 218 HH2 TRP 35 HH TRP 35 -4.066 5.516 -10.301 219 H THR 36 H THR 36 1.841 10.987 -6.675 220 HA THR 36 HA THR 36 -0.938 11.510 -5.948 221 HB THR 36 HB THR 36 -0.221 11.008 -3.790 222 HG1 THR 36 1HG THR 36 0.378 13.782 -4.080 223 HG21 THR 36 3HG2 THR 36 2.368 11.565 -4.838 224 HG22 THR 36 1HG2 THR 36 1.943 10.760 -3.328 225 HG23 THR 36 2HG2 THR 36 2.149 12.511 -3.367 226 H ARG 37 H ARG 37 -1.388 13.119 -7.320 227 HA ARG 37 HA ARG 37 0.603 15.229 -7.749 228 HB2 ARG 37 1HB ARG 37 -0.696 13.916 -9.627 229 HB3 ARG 37 2HB ARG 37 -1.967 15.075 -9.268 230 HG2 ARG 37 1HG ARG 37 -0.766 15.994 -11.058 231 HG3 ARG 37 2HG ARG 37 -0.228 16.882 -9.632 232 HD2 ARG 37 1HD ARG 37 1.697 15.243 -9.506 233 HD3 ARG 37 2HD ARG 37 1.211 14.693 -11.109 234 HE ARG 37 HE ARG 37 1.462 17.409 -11.341 235 HH11 ARG 37 1HH1 ARG 37 3.539 14.794 -10.354 236 HH12 ARG 37 2HH1 ARG 37 4.992 15.573 -10.890 237 HH21 ARG 37 1HH2 ARG 37 3.367 18.443 -12.051 238 HH22 ARG 37 2HH2 ARG 37 4.893 17.648 -11.854 239 H GLU 38 H GLU 38 -2.899 14.893 -7.160 240 HA GLU 38 HA GLU 38 -3.574 17.513 -6.748 241 HB2 GLU 38 1HB GLU 38 -5.225 15.728 -6.741 242 HB3 GLU 38 2HB GLU 38 -4.572 15.092 -5.238 243 HG2 GLU 38 1HG GLU 38 -6.347 16.244 -4.423 244 HG3 GLU 38 2HG GLU 38 -5.126 17.514 -4.367 245 H ALA 39 H ALA 39 -2.839 15.284 -4.060 246 HA ALA 39 HA ALA 39 -2.639 17.163 -2.050 247 HB1 ALA 39 3HB ALA 39 -1.105 14.584 -2.341 248 HB2 ALA 39 1HB ALA 39 -1.252 15.515 -0.850 249 HB3 ALA 39 2HB ALA 39 -2.684 14.793 -1.584 250 H GLY 40 H GLY 40 0.046 15.829 -3.991 251 HA2 GLY 40 1HA GLY 40 1.597 17.609 -4.861 252 HA3 GLY 40 2HA GLY 40 1.632 18.196 -3.205 253 H ALA 41 H ALA 41 3.943 17.520 -4.608 254 HA ALA 41 HA ALA 41 4.867 14.907 -4.192 255 HB1 ALA 41 3HB ALA 41 6.525 15.756 -5.396 256 HB2 ALA 41 1HB ALA 41 5.950 17.395 -5.093 257 HB3 ALA 41 2HB ALA 41 7.078 16.633 -3.971 258 H GLY 42 H GLY 42 4.629 14.005 -2.213 259 HA2 GLY 42 1HA GLY 42 6.063 15.318 0.004 260 HA3 GLY 42 2HA GLY 42 4.450 14.667 0.254 261 H GLY 43 H GLY 43 6.501 13.805 1.836 262 HA2 GLY 43 1HA GLY 43 7.856 11.514 0.884 263 HA3 GLY 43 2HA GLY 43 7.578 11.915 2.572 264 H LEU 44 H LEU 44 7.535 9.294 1.611 265 HA LEU 44 HA LEU 44 4.773 8.580 2.248 266 HB2 LEU 44 1HB LEU 44 6.302 7.685 -0.176 267 HB3 LEU 44 2HB LEU 44 4.967 6.743 0.484 268 HG LEU 44 HG LEU 44 4.497 9.607 -0.189 269 HD11 LEU 44 1HD1 LEU 44 3.812 8.003 -2.431 270 HD12 LEU 44 2HD1 LEU 44 5.522 7.759 -2.073 271 HD13 LEU 44 3HD1 LEU 44 4.904 9.386 -2.354 272 HD21 LEU 44 3HD2 LEU 44 2.900 7.776 0.874 273 HD22 LEU 44 1HD2 LEU 44 2.652 7.371 -0.825 274 HD23 LEU 44 2HD2 LEU 44 2.303 9.001 -0.248 275 H SER 45 H SER 45 4.829 7.265 3.934 276 HA SER 45 HA SER 45 7.194 5.562 4.325 277 HB2 SER 45 1HB SER 45 6.718 7.180 6.135 278 HB3 SER 45 2HB SER 45 5.131 6.447 6.357 279 HG SER 45 HG SER 45 6.028 4.733 7.272 280 H ILE 46 H ILE 46 7.013 3.394 4.426 281 HA ILE 46 HA ILE 46 4.311 2.230 4.448 282 HB ILE 46 HB ILE 46 6.587 1.297 2.697 283 HG12 ILE 46 1HG1 ILE 46 3.981 2.372 1.680 284 HG13 ILE 46 2HG1 ILE 46 5.260 3.490 2.142 285 HG21 ILE 46 1HG2 ILE 46 4.409 0.064 1.731 286 HG22 ILE 46 2HG2 ILE 46 5.461 -0.645 2.955 287 HG23 ILE 46 3HG2 ILE 46 3.966 0.158 3.435 288 HD11 ILE 46 3HD1 ILE 46 4.982 1.858 -0.232 289 HD12 ILE 46 1HD1 ILE 46 6.007 3.262 0.067 290 HD13 ILE 46 2HD1 ILE 46 6.552 1.654 0.545 291 H ALA 47 H ALA 47 4.040 0.461 5.701 292 HA ALA 47 HA ALA 47 6.388 -0.953 6.719 293 HB1 ALA 47 3HB ALA 47 5.792 -0.721 9.008 294 HB2 ALA 47 1HB ALA 47 5.809 0.898 8.310 295 HB3 ALA 47 2HB ALA 47 4.275 0.078 8.598 296 H VAL 48 H VAL 48 5.985 -2.976 6.097 297 HA VAL 48 HA VAL 48 3.256 -3.993 6.055 298 HB VAL 48 HB VAL 48 5.813 -5.371 5.224 299 HG11 VAL 48 1HG1 VAL 48 3.938 -6.615 3.818 300 HG12 VAL 48 2HG1 VAL 48 4.379 -7.128 5.448 301 HG13 VAL 48 3HG1 VAL 48 2.945 -6.134 5.193 302 HG21 VAL 48 3HG2 VAL 48 4.312 -4.798 2.962 303 HG22 VAL 48 1HG2 VAL 48 4.222 -3.328 3.932 304 HG23 VAL 48 2HG2 VAL 48 5.792 -3.988 3.476 305 H GLU 49 H GLU 49 2.464 -4.779 7.892 306 HA GLU 49 HA GLU 49 4.230 -6.432 9.577 307 HB2 GLU 49 1HB GLU 49 2.027 -4.545 10.418 308 HB3 GLU 49 2HB GLU 49 2.778 -5.709 11.501 309 HG2 GLU 49 1HG GLU 49 4.925 -4.631 11.226 310 HG3 GLU 49 2HG GLU 49 4.234 -3.505 10.060 311 H GLY 50 H GLY 50 3.564 -8.448 10.005 312 HA2 GLY 50 1HA GLY 50 0.755 -9.146 9.958 313 HA3 GLY 50 2HA GLY 50 1.692 -9.829 8.638 314 HA PRO 51 HA PRO 51 1.856 -12.864 12.099 315 HB2 PRO 51 1HB PRO 51 1.613 -15.038 10.492 316 HB3 PRO 51 2HB PRO 51 0.222 -14.134 11.100 317 HG2 PRO 51 1HG PRO 51 1.558 -13.983 8.425 318 HG3 PRO 51 2HG PRO 51 -0.173 -13.995 8.812 319 HD2 PRO 51 1HD PRO 51 1.172 -11.720 8.223 320 HD3 PRO 51 2HD PRO 51 -0.195 -11.755 9.355 321 H SER 52 H SER 52 3.715 -12.134 9.347 322 HA SER 52 HA SER 52 6.061 -13.335 10.539 323 HB2 SER 52 1HB SER 52 5.003 -15.123 9.072 324 HB3 SER 52 2HB SER 52 5.376 -14.086 7.695 325 HG SER 52 HG SER 52 7.266 -14.986 7.762 326 H LYS 53 H LYS 53 8.057 -12.694 9.407 327 HA LYS 53 HA LYS 53 8.089 -9.948 8.839 328 HB2 LYS 53 1HB LYS 53 10.006 -11.448 9.640 329 HB3 LYS 53 2HB LYS 53 10.224 -11.878 7.949 330 HG2 LYS 53 1HG LYS 53 10.694 -9.590 7.376 331 HG3 LYS 53 2HG LYS 53 10.329 -9.067 9.022 332 HD2 LYS 53 1HD LYS 53 12.194 -10.631 9.765 333 HD3 LYS 53 2HD LYS 53 12.645 -10.728 8.061 334 HE2 LYS 53 1HE LYS 53 12.307 -8.079 9.420 335 HE3 LYS 53 2HE LYS 53 13.813 -8.984 9.566 336 HZ1 LYS 53 3HZ LYS 53 13.540 -7.264 7.679 337 HZ2 LYS 53 1HZ LYS 53 12.658 -8.484 6.906 338 HZ3 LYS 53 2HZ LYS 53 14.271 -8.750 7.338 339 H ALA 54 H ALA 54 8.284 -8.787 6.942 340 HA ALA 54 HA ALA 54 7.872 -10.286 4.440 341 HB1 ALA 54 3HB ALA 54 6.611 -7.607 4.890 342 HB2 ALA 54 1HB ALA 54 6.191 -8.853 3.714 343 HB3 ALA 54 2HB ALA 54 5.813 -9.087 5.421 344 H GLU 55 H GLU 55 9.323 -9.846 2.917 345 HA GLU 55 HA GLU 55 11.438 -8.035 3.316 346 HB2 GLU 55 1HB GLU 55 11.380 -10.120 1.832 347 HB3 GLU 55 2HB GLU 55 10.600 -9.105 0.627 348 HG2 GLU 55 1HG GLU 55 12.489 -7.882 0.227 349 HG3 GLU 55 2HG GLU 55 13.155 -8.180 1.832 350 H ILE 56 H ILE 56 11.942 -6.073 2.320 351 HA ILE 56 HA ILE 56 9.865 -4.755 0.748 352 HB ILE 56 HB ILE 56 10.997 -3.555 3.278 353 HG12 ILE 56 1HG1 ILE 56 8.108 -4.152 2.657 354 HG13 ILE 56 2HG1 ILE 56 9.153 -5.323 3.456 355 HG21 ILE 56 1HG2 ILE 56 9.141 -1.813 2.636 356 HG22 ILE 56 2HG2 ILE 56 10.758 -1.708 1.943 357 HG23 ILE 56 3HG2 ILE 56 9.443 -2.418 1.008 358 HD11 ILE 56 3HD1 ILE 56 9.454 -3.891 5.326 359 HD12 ILE 56 1HD1 ILE 56 8.665 -2.548 4.499 360 HD13 ILE 56 2HD1 ILE 56 7.726 -3.963 4.979 361 H THR 57 H THR 57 10.695 -3.560 -0.849 362 HA THR 57 HA THR 57 13.435 -2.548 -0.612 363 HB THR 57 HB THR 57 12.428 -4.108 -3.000 364 HG1 THR 57 1HG THR 57 13.071 -5.366 -1.125 365 HG21 THR 57 3HG2 THR 57 14.912 -3.886 -3.635 366 HG22 THR 57 1HG2 THR 57 14.945 -2.554 -2.480 367 HG23 THR 57 2HG2 THR 57 13.870 -2.484 -3.876 368 H PHE 58 H PHE 58 13.086 -0.415 -0.718 369 HA PHE 58 HA PHE 58 11.361 0.593 -2.884 370 HB2 PHE 58 1HB PHE 58 10.597 1.056 -0.521 371 HB3 PHE 58 2HB PHE 58 12.039 2.047 -0.323 372 HD1 PHE 58 2HD PHE 58 12.367 3.877 -2.201 373 HD2 PHE 58 1HD PHE 58 8.649 2.080 -1.164 374 HE1 PHE 58 2HE PHE 58 11.172 5.805 -3.156 375 HE2 PHE 58 1HE PHE 58 7.450 4.005 -2.119 376 HZ PHE 58 HZ PHE 58 8.711 5.871 -3.114 377 H ASP 59 H ASP 59 12.617 1.217 -4.517 378 HA ASP 59 HA ASP 59 15.159 2.567 -3.924 379 HB2 ASP 59 1HB ASP 59 14.164 0.948 -6.230 380 HB3 ASP 59 2HB ASP 59 15.391 2.176 -6.529 381 H ASP 60 H ASP 60 15.233 4.697 -4.094 382 HA ASP 60 HA ASP 60 13.092 6.110 -5.476 383 HB2 ASP 60 1HB ASP 60 14.183 8.143 -4.450 384 HB3 ASP 60 2HB ASP 60 13.575 6.959 -3.298 385 H HIS 61 H HIS 61 13.583 5.802 -7.644 386 HA HIS 61 HA HIS 61 15.433 7.645 -8.767 387 HB2 HIS 61 1HB HIS 61 16.808 5.535 -8.027 388 HB3 HIS 61 2HB HIS 61 16.118 4.816 -9.479 389 HD1 HIS 61 1HD HIS 61 18.140 7.883 -8.500 390 HD2 HIS 61 2HD HIS 61 17.521 5.351 -11.736 391 HE1 HIS 61 1HE HIS 61 19.792 8.612 -10.250 392 H LYS 62 H LYS 62 15.065 7.999 -10.948 393 HA LYS 62 HA LYS 62 12.576 6.919 -11.954 394 HB2 LYS 62 1HB LYS 62 14.472 9.013 -13.021 395 HB3 LYS 62 2HB LYS 62 12.997 8.530 -13.848 396 HG2 LYS 62 1HG LYS 62 12.877 9.454 -11.012 397 HG3 LYS 62 2HG LYS 62 13.004 10.629 -12.323 398 HD2 LYS 62 1HD LYS 62 11.012 9.530 -13.377 399 HD3 LYS 62 2HD LYS 62 10.843 8.566 -11.908 400 HE2 LYS 62 1HE LYS 62 10.672 10.676 -10.610 401 HE3 LYS 62 2HE LYS 62 10.707 11.572 -12.128 402 HZ1 LYS 62 3HZ LYS 62 8.462 11.373 -11.651 403 HZ2 LYS 62 1HZ LYS 62 8.602 9.781 -11.094 404 HZ3 LYS 62 2HZ LYS 62 8.719 10.111 -12.749 405 H ASN 63 H ASN 63 13.030 4.775 -12.456 406 HA ASN 63 HA ASN 63 14.958 4.357 -14.643 407 HB2 ASN 63 1HB ASN 63 14.172 2.691 -12.299 408 HB3 ASN 63 2HB ASN 63 14.582 1.857 -13.796 409 HD21 ASN 63 1HD2 ASN 63 15.955 1.914 -11.214 410 HD22 ASN 63 2HD2 ASN 63 17.559 2.466 -11.545 411 H GLY 64 H GLY 64 11.673 3.918 -13.565 412 HA2 GLY 64 1HA GLY 64 10.280 3.983 -15.797 413 HA3 GLY 64 2HA GLY 64 10.992 2.385 -15.964 414 H SER 65 H SER 65 8.435 4.177 -14.683 415 HA SER 65 HA SER 65 6.811 3.726 -13.102 416 HB2 SER 65 1HB SER 65 6.115 2.547 -15.179 417 HB3 SER 65 2HB SER 65 6.897 1.085 -14.580 418 HG SER 65 HG SER 65 4.973 0.759 -13.762 419 H CYS 66 H CYS 66 9.234 3.413 -11.860 420 HA CYS 66 HA CYS 66 9.401 0.843 -10.578 421 HB2 CYS 66 1HB CYS 66 10.895 3.425 -10.393 422 HB3 CYS 66 2HB CYS 66 11.042 2.270 -9.074 423 HG CYS 66 HG CYS 66 12.261 0.309 -10.468 424 H GLY 67 H GLY 67 8.211 0.205 -8.914 425 HA2 GLY 67 1HA GLY 67 7.069 2.280 -7.145 426 HA3 GLY 67 2HA GLY 67 6.197 0.826 -7.601 427 H VAL 68 H VAL 68 5.920 0.357 -5.363 428 HA VAL 68 HA VAL 68 8.349 -0.371 -3.893 429 HB VAL 68 HB VAL 68 5.513 -0.317 -2.860 430 HG11 VAL 68 1HG1 VAL 68 8.195 -0.445 -1.489 431 HG12 VAL 68 2HG1 VAL 68 6.661 -0.177 -0.657 432 HG13 VAL 68 3HG1 VAL 68 6.948 -1.693 -1.514 433 HG21 VAL 68 3HG2 VAL 68 7.462 1.845 -3.303 434 HG22 VAL 68 1HG2 VAL 68 5.705 1.907 -3.162 435 HG23 VAL 68 2HG2 VAL 68 6.703 1.821 -1.710 436 H SER 69 H SER 69 8.849 -2.428 -3.355 437 HA SER 69 HA SER 69 6.983 -4.536 -4.230 438 HB2 SER 69 1HB SER 69 8.899 -5.921 -4.787 439 HB3 SER 69 2HB SER 69 9.046 -4.371 -5.617 440 HG SER 69 HG SER 69 10.680 -3.814 -4.331 441 H TYR 70 H TYR 70 6.728 -6.344 -2.932 442 HA TYR 70 HA TYR 70 8.228 -6.633 -0.484 443 HB2 TYR 70 1HB TYR 70 6.521 -6.217 1.067 444 HB3 TYR 70 2HB TYR 70 6.376 -4.887 -0.076 445 HD1 TYR 70 1HD TYR 70 4.978 -8.252 0.697 446 HD2 TYR 70 2HD TYR 70 4.329 -4.451 -1.104 447 HE1 TYR 70 1HE TYR 70 2.617 -8.836 0.329 448 HE2 TYR 70 2HE TYR 70 1.965 -5.025 -1.475 449 HH TYR 70 HH TYR 70 0.310 -6.484 -0.887 450 H ILE 71 H ILE 71 8.191 -8.695 0.273 451 HA ILE 71 HA ILE 71 6.331 -10.568 -1.038 452 HB ILE 71 HB ILE 71 9.268 -10.899 -0.478 453 HG12 ILE 71 1HG1 ILE 71 7.671 -11.492 -2.972 454 HG13 ILE 71 2HG1 ILE 71 8.430 -9.934 -2.662 455 HG21 ILE 71 1HG2 ILE 71 7.144 -12.973 -0.698 456 HG22 ILE 71 2HG2 ILE 71 8.725 -13.296 -1.409 457 HG23 ILE 71 3HG2 ILE 71 8.589 -12.939 0.313 458 HD11 ILE 71 3HD1 ILE 71 10.583 -11.358 -2.354 459 HD12 ILE 71 1HD1 ILE 71 9.684 -12.565 -3.273 460 HD13 ILE 71 2HD1 ILE 71 9.996 -10.976 -3.972 461 H ALA 72 H ALA 72 5.229 -11.913 0.255 462 HA ALA 72 HA ALA 72 5.796 -11.794 3.133 463 HB1 ALA 72 3HB ALA 72 3.601 -11.261 3.041 464 HB2 ALA 72 1HB ALA 72 3.343 -12.113 1.518 465 HB3 ALA 72 2HB ALA 72 3.411 -13.015 3.032 466 H GLN 73 H GLN 73 7.308 -13.350 3.509 467 HA GLN 73 HA GLN 73 7.710 -15.758 2.308 468 HB2 GLN 73 1HB GLN 73 7.888 -15.436 5.299 469 HB3 GLN 73 2HB GLN 73 8.862 -16.473 4.265 470 HG2 GLN 73 1HG GLN 73 9.034 -13.532 4.702 471 HG3 GLN 73 2HG GLN 73 10.309 -14.750 4.714 472 HE21 GLN 73 1HE2 GLN 73 9.693 -16.009 2.287 473 HE22 GLN 73 2HE2 GLN 73 10.057 -14.917 1.000 474 H GLU 74 H GLU 74 5.668 -15.283 5.195 475 HA GLU 74 HA GLU 74 4.375 -17.855 4.618 476 HB2 GLU 74 1HB GLU 74 4.012 -16.251 7.136 477 HB3 GLU 74 2HB GLU 74 3.744 -17.971 6.886 478 HG2 GLU 74 1HG GLU 74 6.104 -18.374 6.736 479 HG3 GLU 74 2HG GLU 74 6.443 -16.645 6.796 480 HA PRO 75 HA PRO 75 0.699 -15.869 3.243 481 HB2 PRO 75 1HB PRO 75 -1.089 -17.844 3.768 482 HB3 PRO 75 2HB PRO 75 0.069 -17.925 2.434 483 HG2 PRO 75 1HG PRO 75 0.214 -19.183 5.148 484 HG3 PRO 75 2HG PRO 75 0.618 -19.879 3.568 485 HD2 PRO 75 1HD PRO 75 2.502 -18.940 5.271 486 HD3 PRO 75 2HD PRO 75 2.685 -18.861 3.507 487 H GLY 76 H GLY 76 -1.028 -14.704 4.029 488 HA2 GLY 76 1HA GLY 76 -2.597 -15.015 6.197 489 HA3 GLY 76 2HA GLY 76 -1.124 -14.365 6.903 490 H ASN 77 H ASN 77 -2.970 -12.758 7.466 491 HA ASN 77 HA ASN 77 -3.532 -10.871 5.327 492 HB2 ASN 77 1HB ASN 77 -4.988 -9.768 6.909 493 HB3 ASN 77 2HB ASN 77 -5.283 -11.503 6.986 494 HD21 ASN 77 1HD2 ASN 77 -5.547 -9.168 8.913 495 HD22 ASN 77 2HD2 ASN 77 -4.787 -9.737 10.356 496 H TYR 78 H TYR 78 -1.726 -9.737 4.823 497 HA TYR 78 HA TYR 78 -0.043 -8.644 6.925 498 HB2 TYR 78 1HB TYR 78 0.138 -8.696 3.920 499 HB3 TYR 78 2HB TYR 78 1.216 -7.699 4.890 500 HD1 TYR 78 2HD TYR 78 0.147 -11.193 4.270 501 HD2 TYR 78 1HD TYR 78 3.095 -8.638 5.969 502 HE1 TYR 78 2HE TYR 78 1.623 -13.130 4.609 503 HE2 TYR 78 1HE TYR 78 4.580 -10.567 6.310 504 HH TYR 78 HH TYR 78 3.534 -13.750 6.108 505 H GLU 79 H GLU 79 -0.427 -6.739 7.818 506 HA GLU 79 HA GLU 79 -2.215 -4.855 6.488 507 HB2 GLU 79 1HB GLU 79 -2.270 -5.620 9.007 508 HB3 GLU 79 2HB GLU 79 -1.049 -4.370 9.198 509 HG2 GLU 79 1HG GLU 79 -2.728 -2.841 7.996 510 HG3 GLU 79 2HG GLU 79 -3.911 -4.092 8.374 511 H VAL 80 H VAL 80 -1.239 -3.541 5.084 512 HA VAL 80 HA VAL 80 1.469 -2.588 5.598 513 HB VAL 80 HB VAL 80 -0.262 -1.973 3.205 514 HG11 VAL 80 1HG1 VAL 80 2.642 -1.660 3.860 515 HG12 VAL 80 2HG1 VAL 80 2.109 -1.814 2.185 516 HG13 VAL 80 3HG1 VAL 80 1.518 -0.484 3.181 517 HG21 VAL 80 3HG2 VAL 80 1.308 -4.397 3.897 518 HG22 VAL 80 1HG2 VAL 80 -0.177 -4.237 2.959 519 HG23 VAL 80 2HG2 VAL 80 1.375 -3.821 2.231 520 H SER 81 H SER 81 1.609 -0.892 6.923 521 HA SER 81 HA SER 81 -0.489 1.099 7.040 522 HB2 SER 81 1HB SER 81 0.564 0.379 9.123 523 HB3 SER 81 2HB SER 81 2.142 0.894 8.527 524 HG SER 81 HG SER 81 0.708 2.355 9.946 525 H ILE 82 H ILE 82 -0.547 2.825 5.778 526 HA ILE 82 HA ILE 82 1.985 3.827 4.645 527 HB ILE 82 HB ILE 82 -0.789 3.903 3.457 528 HG12 ILE 82 1HG1 ILE 82 1.740 2.632 2.396 529 HG13 ILE 82 2HG1 ILE 82 0.516 1.755 3.308 530 HG21 ILE 82 1HG2 ILE 82 1.686 5.409 2.808 531 HG22 ILE 82 2HG2 ILE 82 0.696 4.828 1.470 532 HG23 ILE 82 3HG2 ILE 82 -0.004 5.899 2.684 533 HD11 ILE 82 3HD1 ILE 82 -0.909 3.010 1.297 534 HD12 ILE 82 1HD1 ILE 82 0.580 2.478 0.515 535 HD13 ILE 82 2HD1 ILE 82 -0.439 1.312 1.361 536 H LYS 83 H LYS 83 2.427 5.985 4.741 537 HA LYS 83 HA LYS 83 0.416 7.759 5.934 538 HB2 LYS 83 1HB LYS 83 3.115 7.091 7.002 539 HB3 LYS 83 2HB LYS 83 2.566 8.754 7.149 540 HG2 LYS 83 1HG LYS 83 0.397 7.562 8.093 541 HG3 LYS 83 2HG LYS 83 1.571 6.300 8.475 542 HD2 LYS 83 1HD LYS 83 2.093 9.162 9.202 543 HD3 LYS 83 2HD LYS 83 1.099 8.131 10.234 544 HE2 LYS 83 1HE LYS 83 3.854 7.340 9.322 545 HE3 LYS 83 2HE LYS 83 3.575 8.272 10.792 546 HZ1 LYS 83 3HZ LYS 83 2.252 6.491 11.673 547 HZ2 LYS 83 1HZ LYS 83 3.750 5.868 11.194 548 HZ3 LYS 83 2HZ LYS 83 2.381 5.611 10.234 549 H PHE 84 H PHE 84 0.223 9.612 4.859 550 HA PHE 84 HA PHE 84 2.358 10.347 2.972 551 HB2 PHE 84 1HB PHE 84 0.289 9.923 1.828 552 HB3 PHE 84 2HB PHE 84 -0.606 10.940 2.953 553 HD1 PHE 84 2HD PHE 84 1.843 10.951 0.199 554 HD2 PHE 84 1HD PHE 84 -0.730 13.285 2.660 555 HE1 PHE 84 2HE PHE 84 2.170 12.880 -1.294 556 HE2 PHE 84 1HE PHE 84 -0.407 15.217 1.170 557 HZ PHE 84 HZ PHE 84 1.045 15.016 -0.809 558 H ASN 85 H ASN 85 3.663 11.813 3.867 559 HA ASN 85 HA ASN 85 4.387 13.777 4.762 560 HB2 ASN 85 1HB ASN 85 1.509 14.693 4.585 561 HB3 ASN 85 2HB ASN 85 2.939 15.714 4.718 562 HD21 ASN 85 1HD2 ASN 85 2.342 16.797 2.820 563 HD22 ASN 85 2HD2 ASN 85 2.573 16.083 1.264 564 H ASP 86 H ASP 86 3.643 11.623 6.453 565 HA ASP 86 HA ASP 86 3.515 11.194 8.687 566 HB2 ASP 86 1HB ASP 86 3.311 14.176 9.124 567 HB3 ASP 86 2HB ASP 86 3.843 12.955 10.276 568 H GLU 87 H GLU 87 1.181 11.303 7.023 569 HA GLU 87 HA GLU 87 -0.827 11.685 9.119 570 HB2 GLU 87 1HB GLU 87 -0.746 13.035 6.466 571 HB3 GLU 87 2HB GLU 87 -2.310 12.491 7.057 572 HG2 GLU 87 1HG GLU 87 -2.134 13.850 9.003 573 HG3 GLU 87 2HG GLU 87 -0.454 14.247 8.641 574 H HIS 88 H HIS 88 -2.338 10.115 9.193 575 HA HIS 88 HA HIS 88 -2.001 7.845 7.434 576 HB2 HIS 88 1HB HIS 88 -3.406 8.379 9.999 577 HB3 HIS 88 2HB HIS 88 -4.051 7.091 8.986 578 HD2 HIS 88 2HD HIS 88 -0.818 7.891 11.047 579 HE1 HIS 88 1HE HIS 88 -0.770 3.792 9.953 580 HE2 HIS 88 2HE HIS 88 0.302 5.582 11.364 581 H ILE 89 H ILE 89 -2.886 8.049 5.468 582 HA ILE 89 HA ILE 89 -5.102 9.616 4.799 583 HB ILE 89 HB ILE 89 -5.217 7.876 2.809 584 HG12 ILE 89 1HG1 ILE 89 -2.349 7.484 3.580 585 HG13 ILE 89 2HG1 ILE 89 -3.575 6.414 4.254 586 HG21 ILE 89 1HG2 ILE 89 -2.964 9.109 2.024 587 HG22 ILE 89 2HG2 ILE 89 -4.536 9.904 2.089 588 HG23 ILE 89 3HG2 ILE 89 -3.389 10.110 3.413 589 HD11 ILE 89 3HD1 ILE 89 -2.371 5.665 2.142 590 HD12 ILE 89 1HD1 ILE 89 -4.130 5.549 2.161 591 HD13 ILE 89 2HD1 ILE 89 -3.343 6.875 1.304 592 HA PRO 90 HA PRO 90 -8.663 7.306 5.911 593 HB2 PRO 90 1HB PRO 90 -10.311 7.740 3.797 594 HB3 PRO 90 2HB PRO 90 -9.922 8.990 4.986 595 HG2 PRO 90 1HG PRO 90 -8.764 8.538 2.263 596 HG3 PRO 90 2HG PRO 90 -9.246 10.060 3.034 597 HD2 PRO 90 1HD PRO 90 -6.667 9.247 2.904 598 HD3 PRO 90 2HD PRO 90 -7.299 10.201 4.260 599 H GLU 91 H GLU 91 -6.634 6.282 3.520 600 HA GLU 91 HA GLU 91 -8.275 3.909 2.923 601 HB2 GLU 91 1HB GLU 91 -6.016 5.147 1.344 602 HB3 GLU 91 2HB GLU 91 -6.774 3.612 0.947 603 HG2 GLU 91 1HG GLU 91 -7.923 5.001 -0.439 604 HG3 GLU 91 2HG GLU 91 -8.968 5.046 0.980 605 H SER 92 H SER 92 -5.718 4.987 4.745 606 HA SER 92 HA SER 92 -4.509 2.300 4.836 607 HB2 SER 92 1HB SER 92 -2.404 3.197 5.095 608 HB3 SER 92 2HB SER 92 -3.139 4.460 4.109 609 HG SER 92 HG SER 92 -2.128 4.651 6.569 610 HA PRO 93 HA PRO 93 -2.697 1.603 6.233 611 HB2 PRO 93 1HB PRO 93 -2.932 -0.714 7.627 612 HB3 PRO 93 2HB PRO 93 -2.055 0.692 8.242 613 HG2 PRO 93 1HG PRO 93 -4.835 -0.227 8.863 614 HG3 PRO 93 2HG PRO 93 -3.586 0.385 9.964 615 HD2 PRO 93 1HD PRO 93 -5.629 1.926 9.078 616 HD3 PRO 93 2HD PRO 93 -4.020 2.586 9.435 617 H TYR 94 H TYR 94 -2.637 -0.628 5.188 618 HA TYR 94 HA TYR 94 -5.276 -1.190 4.008 619 HB2 TYR 94 1HB TYR 94 -2.510 -1.558 2.843 620 HB3 TYR 94 2HB TYR 94 -3.999 -2.070 2.056 621 HD1 TYR 94 2HD TYR 94 -2.505 0.999 3.584 622 HD2 TYR 94 1HD TYR 94 -4.942 -0.643 0.506 623 HE1 TYR 94 2HE TYR 94 -2.737 3.234 2.582 624 HE2 TYR 94 1HE TYR 94 -5.179 1.586 -0.505 625 HH TYR 94 HH TYR 94 -4.997 3.903 0.083 626 H LEU 95 H LEU 95 -5.889 -3.345 3.635 627 HA LEU 95 HA LEU 95 -4.339 -5.350 5.141 628 HB2 LEU 95 1HB LEU 95 -6.533 -4.567 6.164 629 HB3 LEU 95 2HB LEU 95 -7.328 -5.383 4.819 630 HG LEU 95 HG LEU 95 -6.342 -7.517 5.565 631 HD11 LEU 95 1HD1 LEU 95 -4.352 -6.693 6.659 632 HD12 LEU 95 2HD1 LEU 95 -5.316 -7.629 7.801 633 HD13 LEU 95 3HD1 LEU 95 -5.327 -5.867 7.875 634 HD21 LEU 95 3HD2 LEU 95 -8.588 -6.645 6.337 635 HD22 LEU 95 1HD2 LEU 95 -7.790 -6.190 7.842 636 HD23 LEU 95 2HD2 LEU 95 -7.844 -7.882 7.350 637 H VAL 96 H VAL 96 -3.355 -6.510 3.593 638 HA VAL 96 HA VAL 96 -4.955 -7.410 1.292 639 HB VAL 96 HB VAL 96 -2.002 -7.787 1.353 640 HG11 VAL 96 1HG1 VAL 96 -2.233 -8.042 -0.866 641 HG12 VAL 96 2HG1 VAL 96 -3.944 -8.265 -0.492 642 HG13 VAL 96 3HG1 VAL 96 -3.350 -6.685 -1.006 643 HG21 VAL 96 3HG2 VAL 96 -3.363 -5.131 0.935 644 HG22 VAL 96 1HG2 VAL 96 -2.128 -5.532 2.129 645 HG23 VAL 96 2HG2 VAL 96 -1.716 -5.485 0.414 646 HA PRO 97 HA PRO 97 -4.897 -11.346 3.449 647 HB2 PRO 97 1HB PRO 97 -6.580 -12.586 1.716 648 HB3 PRO 97 2HB PRO 97 -7.142 -11.483 2.978 649 HG2 PRO 97 1HG PRO 97 -6.697 -10.960 0.065 650 HG3 PRO 97 2HG PRO 97 -8.040 -10.445 1.102 651 HD2 PRO 97 1HD PRO 97 -5.999 -8.795 0.436 652 HD3 PRO 97 2HD PRO 97 -6.845 -8.688 1.993 653 H VAL 98 H VAL 98 -2.689 -11.783 2.936 654 HA VAL 98 HA VAL 98 -1.970 -12.780 0.333 655 HB VAL 98 HB VAL 98 -0.437 -12.735 2.935 656 HG11 VAL 98 1HG1 VAL 98 1.512 -13.384 1.706 657 HG12 VAL 98 2HG1 VAL 98 0.249 -14.576 1.395 658 HG13 VAL 98 3HG1 VAL 98 0.625 -13.352 0.182 659 HG21 VAL 98 3HG2 VAL 98 -1.046 -10.563 1.704 660 HG22 VAL 98 1HG2 VAL 98 0.641 -10.821 2.146 661 HG23 VAL 98 2HG2 VAL 98 0.113 -11.093 0.486 662 H ILE 99 H ILE 99 -1.864 -14.842 -0.339 663 HA ILE 99 HA ILE 99 -2.244 -16.977 1.650 664 HB ILE 99 HB ILE 99 -3.667 -18.194 0.055 665 HG12 ILE 99 1HG1 ILE 99 -4.044 -15.703 -1.553 666 HG13 ILE 99 2HG1 ILE 99 -2.650 -16.723 -1.897 667 HG21 ILE 99 1HG2 ILE 99 -4.641 -16.753 1.812 668 HG22 ILE 99 2HG2 ILE 99 -4.730 -15.436 0.643 669 HG23 ILE 99 3HG2 ILE 99 -5.676 -16.903 0.391 670 HD11 ILE 99 3HD1 ILE 99 -5.559 -17.362 -2.164 671 HD12 ILE 99 1HD1 ILE 99 -4.280 -17.465 -3.374 672 HD13 ILE 99 2HD1 ILE 99 -4.345 -18.637 -2.057 673 H ALA 100 H ALA 100 -1.355 -19.016 1.105 674 HA ALA 100 HA ALA 100 1.034 -18.821 -0.506 675 HB1 ALA 100 3HB ALA 100 1.334 -19.979 1.514 676 HB2 ALA 100 1HB ALA 100 -0.105 -20.967 1.259 677 HB3 ALA 100 2HB ALA 100 1.331 -21.228 0.269 678 HA PRO 101 HA PRO 101 -1.108 -20.351 -4.121 679 HB2 PRO 101 1HB PRO 101 1.044 -20.204 -5.770 680 HB3 PRO 101 2HB PRO 101 0.087 -18.791 -5.312 681 HG2 PRO 101 1HG PRO 101 2.697 -19.753 -4.204 682 HG3 PRO 101 2HG PRO 101 2.194 -18.101 -4.607 683 HD2 PRO 101 1HD PRO 101 2.191 -19.045 -2.070 684 HD3 PRO 101 2HD PRO 101 1.014 -17.845 -2.643 685 H SER 102 H SER 102 -1.540 -22.466 -4.186 686 HA SER 102 HA SER 102 0.396 -24.467 -3.528 687 HB2 SER 102 1HB SER 102 -2.033 -24.712 -3.048 688 HB3 SER 102 2HB SER 102 -2.338 -24.816 -4.781 689 HG SER 102 HG SER 102 -0.575 -26.565 -3.421 690 H ASP 103 H ASP 103 1.923 -25.178 -4.844 691 HA ASP 103 HA ASP 103 1.501 -25.002 -7.747 692 HB2 ASP 103 1HB ASP 103 4.063 -25.283 -6.161 693 HB3 ASP 103 2HB ASP 103 3.964 -25.201 -7.917 694 H ASP 104 H ASP 104 0.641 -26.843 -8.482 695 HA ASP 104 HA ASP 104 1.229 -29.397 -7.298 696 HB2 ASP 104 1HB ASP 104 -0.120 -30.195 -9.370 697 HB3 ASP 104 2HB ASP 104 -0.952 -29.285 -8.113 698 H ALA 105 H ALA 105 2.981 -30.551 -7.715 699 HA ALA 105 HA ALA 105 3.993 -30.729 -10.439 700 HB1 ALA 105 3HB ALA 105 5.566 -29.184 -10.016 701 HB2 ALA 105 1HB ALA 105 5.372 -29.316 -8.268 702 HB3 ALA 105 2HB ALA 105 6.364 -30.488 -9.138 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.018 29.178 0.684 2 HA2 GLY 1 1HA GLY 1 8.209 31.432 -0.011 3 HA3 GLY 1 2HA GLY 1 6.485 31.239 -0.290 4 H SER 2 H SER 2 5.018 32.333 0.989 5 HA SER 2 HA SER 2 6.138 34.151 3.012 6 HB2 SER 2 1HB SER 2 5.727 35.309 0.802 7 HB3 SER 2 2HB SER 2 4.011 34.972 1.025 8 HG SER 2 HG SER 2 5.212 37.050 1.889 9 H SER 3 H SER 3 4.927 31.728 3.594 10 HA SER 3 HA SER 3 3.414 30.881 5.076 11 HB2 SER 3 1HB SER 3 3.679 33.222 6.114 12 HB3 SER 3 2HB SER 3 2.153 33.609 5.318 13 HG SER 3 HG SER 3 2.272 31.266 6.828 14 H GLY 4 H GLY 4 2.931 30.705 2.342 15 HA2 GLY 4 1HA GLY 4 0.067 30.286 2.370 16 HA3 GLY 4 2HA GLY 4 0.608 31.503 1.224 17 H SER 5 H SER 5 -0.617 28.766 0.920 18 HA SER 5 HA SER 5 1.427 27.677 -0.902 19 HB2 SER 5 1HB SER 5 -0.320 26.300 1.086 20 HB3 SER 5 2HB SER 5 0.026 25.465 -0.429 21 HG SER 5 HG SER 5 1.527 25.211 1.476 22 H SER 6 H SER 6 0.630 26.634 -2.811 23 HA SER 6 HA SER 6 -1.633 27.999 -3.934 24 HB2 SER 6 1HB SER 6 0.217 27.646 -5.399 25 HB3 SER 6 2HB SER 6 0.274 25.924 -5.025 26 HG SER 6 HG SER 6 -1.620 25.632 -6.152 27 H GLY 7 H GLY 7 -0.847 24.594 -3.246 28 HA2 GLY 7 1HA GLY 7 -3.606 23.826 -3.804 29 HA3 GLY 7 2HA GLY 7 -2.270 22.736 -3.462 30 H GLU 8 H GLU 8 -5.050 23.034 -2.331 31 HA GLU 8 HA GLU 8 -4.305 23.377 0.497 32 HB2 GLU 8 1HB GLU 8 -6.655 23.850 0.948 33 HB3 GLU 8 2HB GLU 8 -6.025 24.951 -0.269 34 HG2 GLU 8 1HG GLU 8 -8.003 24.417 -1.238 35 HG3 GLU 8 2HG GLU 8 -6.999 23.135 -1.914 36 H GLY 9 H GLY 9 -3.821 20.972 -0.994 37 HA2 GLY 9 1HA GLY 9 -5.839 19.132 0.108 38 HA3 GLY 9 2HA GLY 9 -4.717 18.750 -1.190 39 H GLY 10 H GLY 10 -4.428 16.809 0.231 40 HA2 GLY 10 1HA GLY 10 -1.943 16.917 1.527 41 HA3 GLY 10 2HA GLY 10 -3.200 16.971 2.755 42 H ALA 11 H ALA 11 -3.155 15.013 3.674 43 HA ALA 11 HA ALA 11 -2.500 12.613 2.352 44 HB1 ALA 11 3HB ALA 11 -3.297 13.420 5.012 45 HB2 ALA 11 1HB ALA 11 -4.021 11.879 4.553 46 HB3 ALA 11 2HB ALA 11 -2.269 12.083 4.500 47 H HIS 12 H HIS 12 -5.667 13.454 3.764 48 HA HIS 12 HA HIS 12 -7.262 11.550 2.775 49 HB2 HIS 12 1HB HIS 12 -9.100 13.174 2.682 50 HB3 HIS 12 2HB HIS 12 -8.100 13.431 4.107 51 HD1 HIS 12 1HD HIS 12 -5.886 15.178 3.006 52 HD2 HIS 12 2HD HIS 12 -9.886 15.672 1.998 53 HE1 HIS 12 1HE HIS 12 -6.098 17.567 2.248 54 H LYS 13 H LYS 13 -5.796 14.106 0.893 55 HA LYS 13 HA LYS 13 -7.272 13.403 -1.503 56 HB2 LYS 13 1HB LYS 13 -5.025 15.372 -1.045 57 HB3 LYS 13 2HB LYS 13 -5.879 15.166 -2.569 58 HG2 LYS 13 1HG LYS 13 -7.460 15.755 -0.122 59 HG3 LYS 13 2HG LYS 13 -6.540 17.059 -0.876 60 HD2 LYS 13 1HD LYS 13 -8.531 17.263 -1.994 61 HD3 LYS 13 2HD LYS 13 -7.684 16.146 -3.067 62 HE2 LYS 13 1HE LYS 13 -8.983 14.365 -2.463 63 HE3 LYS 13 2HE LYS 13 -9.284 14.996 -0.845 64 HZ1 LYS 13 3HZ LYS 13 -10.700 16.724 -1.952 65 HZ2 LYS 13 1HZ LYS 13 -11.305 15.146 -2.019 66 HZ3 LYS 13 2HZ LYS 13 -10.570 15.828 -3.381 67 H VAL 14 H VAL 14 -5.728 11.297 -0.385 68 HA VAL 14 HA VAL 14 -3.965 10.764 -2.661 69 HB VAL 14 HB VAL 14 -3.162 10.366 0.225 70 HG11 VAL 14 1HG1 VAL 14 -2.542 8.491 -1.337 71 HG12 VAL 14 2HG1 VAL 14 -1.557 9.658 -2.222 72 HG13 VAL 14 3HG1 VAL 14 -1.190 9.290 -0.537 73 HG21 VAL 14 3HG2 VAL 14 -2.405 12.301 -1.905 74 HG22 VAL 14 1HG2 VAL 14 -2.607 12.549 -0.170 75 HG23 VAL 14 2HG2 VAL 14 -1.156 11.758 -0.785 76 H ARG 15 H ARG 15 -4.700 8.977 -3.585 77 HA ARG 15 HA ARG 15 -5.880 6.886 -1.880 78 HB2 ARG 15 1HB ARG 15 -7.385 7.980 -3.571 79 HB3 ARG 15 2HB ARG 15 -6.356 7.311 -4.831 80 HG2 ARG 15 1HG ARG 15 -7.102 5.181 -4.507 81 HG3 ARG 15 2HG ARG 15 -7.472 5.452 -2.803 82 HD2 ARG 15 1HD ARG 15 -9.028 6.652 -5.089 83 HD3 ARG 15 2HD ARG 15 -9.477 5.161 -4.261 84 HE ARG 15 HE ARG 15 -9.164 7.160 -2.337 85 HH11 ARG 15 1HH1 ARG 15 -11.252 6.374 -5.010 86 HH12 ARG 15 2HH1 ARG 15 -12.631 7.180 -4.339 87 HH21 ARG 15 1HH2 ARG 15 -10.973 8.225 -1.444 88 HH22 ARG 15 2HH2 ARG 15 -12.471 8.232 -2.311 89 H ALA 16 H ALA 16 -5.646 4.643 -2.763 90 HA ALA 16 HA ALA 16 -3.280 4.194 -4.398 91 HB1 ALA 16 3HB ALA 16 -1.898 3.676 -2.745 92 HB2 ALA 16 1HB ALA 16 -3.143 4.114 -1.575 93 HB3 ALA 16 2HB ALA 16 -3.026 2.454 -2.159 94 H GLY 17 H GLY 17 -3.631 2.552 -5.747 95 HA2 GLY 17 1HA GLY 17 -5.041 0.181 -4.941 96 HA3 GLY 17 2HA GLY 17 -5.976 1.186 -6.038 97 H GLY 18 H GLY 18 -3.691 -1.266 -5.809 98 HA2 GLY 18 1HA GLY 18 -3.210 -1.091 -8.707 99 HA3 GLY 18 2HA GLY 18 -1.852 -1.338 -7.619 100 HA PRO 19 HA PRO 19 -3.750 -5.434 -8.973 101 HB2 PRO 19 1HB PRO 19 -1.564 -6.372 -10.281 102 HB3 PRO 19 2HB PRO 19 -2.819 -5.412 -11.073 103 HG2 PRO 19 1HG PRO 19 -0.151 -4.548 -10.026 104 HG3 PRO 19 2HG PRO 19 -0.953 -4.107 -11.545 105 HD2 PRO 19 1HD PRO 19 -0.937 -2.480 -9.381 106 HD3 PRO 19 2HD PRO 19 -2.291 -2.531 -10.528 107 H GLY 20 H GLY 20 -1.390 -4.220 -6.982 108 HA2 GLY 20 1HA GLY 20 -0.800 -6.908 -5.904 109 HA3 GLY 20 2HA GLY 20 0.398 -5.622 -5.932 110 H LEU 21 H LEU 21 -2.853 -4.726 -5.255 111 HA LEU 21 HA LEU 21 -2.166 -4.458 -2.402 112 HB2 LEU 21 1HB LEU 21 -3.492 -2.619 -4.320 113 HB3 LEU 21 2HB LEU 21 -4.052 -2.607 -2.649 114 HG LEU 21 HG LEU 21 -1.192 -2.135 -3.484 115 HD11 LEU 21 1HD1 LEU 21 -2.663 -0.376 -4.344 116 HD12 LEU 21 2HD1 LEU 21 -1.617 0.219 -3.055 117 HD13 LEU 21 3HD1 LEU 21 -3.313 -0.130 -2.723 118 HD21 LEU 21 3HD2 LEU 21 -1.180 -2.870 -1.265 119 HD22 LEU 21 1HD2 LEU 21 -2.672 -2.017 -0.876 120 HD23 LEU 21 2HD2 LEU 21 -1.182 -1.111 -1.135 121 H GLU 22 H GLU 22 -4.711 -5.161 -4.737 122 HA GLU 22 HA GLU 22 -6.848 -5.544 -2.996 123 HB2 GLU 22 1HB GLU 22 -7.673 -7.167 -4.784 124 HB3 GLU 22 2HB GLU 22 -7.344 -5.518 -5.299 125 HG2 GLU 22 1HG GLU 22 -5.308 -6.153 -6.332 126 HG3 GLU 22 2HG GLU 22 -5.364 -7.756 -5.603 127 H ARG 23 H ARG 23 -4.264 -7.752 -3.945 128 HA ARG 23 HA ARG 23 -4.796 -9.372 -1.598 129 HB2 ARG 23 1HB ARG 23 -5.301 -10.289 -4.380 130 HB3 ARG 23 2HB ARG 23 -4.515 -11.425 -3.293 131 HG2 ARG 23 1HG ARG 23 -6.358 -11.656 -1.971 132 HG3 ARG 23 2HG ARG 23 -6.958 -10.037 -2.337 133 HD2 ARG 23 1HD ARG 23 -6.841 -12.037 -4.536 134 HD3 ARG 23 2HD ARG 23 -8.111 -12.199 -3.324 135 HE ARG 23 HE ARG 23 -8.138 -9.557 -4.146 136 HH11 ARG 23 1HH1 ARG 23 -8.617 -12.696 -5.575 137 HH12 ARG 23 2HH1 ARG 23 -9.723 -12.123 -6.780 138 HH21 ARG 23 1HH2 ARG 23 -9.593 -8.791 -5.727 139 HH22 ARG 23 2HH2 ARG 23 -10.277 -9.901 -6.866 140 H GLY 24 H GLY 24 -3.113 -11.240 -1.528 141 HA2 GLY 24 1HA GLY 24 -0.578 -10.386 -2.752 142 HA3 GLY 24 2HA GLY 24 -0.666 -10.583 -1.008 143 H GLU 25 H GLU 25 1.177 -12.010 -2.418 144 HA GLU 25 HA GLU 25 0.127 -14.742 -2.162 145 HB2 GLU 25 1HB GLU 25 1.665 -13.557 -4.444 146 HB3 GLU 25 2HB GLU 25 1.852 -15.262 -4.060 147 HG2 GLU 25 1HG GLU 25 -0.273 -15.788 -4.705 148 HG3 GLU 25 2HG GLU 25 -0.899 -14.179 -4.349 149 H ALA 26 H ALA 26 1.382 -16.106 -1.024 150 HA ALA 26 HA ALA 26 3.592 -15.076 0.440 151 HB1 ALA 26 3HB ALA 26 3.713 -17.241 1.468 152 HB2 ALA 26 1HB ALA 26 2.015 -16.795 1.297 153 HB3 ALA 26 2HB ALA 26 2.739 -17.955 0.184 154 H GLY 27 H GLY 27 5.716 -15.149 0.030 155 HA2 GLY 27 1HA GLY 27 7.726 -15.776 -0.918 156 HA3 GLY 27 2HA GLY 27 6.910 -17.164 -1.622 157 H VAL 28 H VAL 28 5.287 -14.316 -2.354 158 HA VAL 28 HA VAL 28 6.675 -14.111 -4.947 159 HB VAL 28 HB VAL 28 3.717 -13.728 -4.475 160 HG11 VAL 28 1HG1 VAL 28 4.445 -12.361 -6.287 161 HG12 VAL 28 2HG1 VAL 28 5.410 -13.674 -6.966 162 HG13 VAL 28 3HG1 VAL 28 3.649 -13.774 -6.978 163 HG21 VAL 28 3HG2 VAL 28 3.825 -15.999 -4.351 164 HG22 VAL 28 1HG2 VAL 28 3.802 -15.827 -6.105 165 HG23 VAL 28 2HG2 VAL 28 5.330 -16.089 -5.264 166 HA PRO 29 HA PRO 29 7.253 -9.880 -3.746 167 HB2 PRO 29 1HB PRO 29 8.254 -9.013 -6.116 168 HB3 PRO 29 2HB PRO 29 9.197 -9.969 -4.967 169 HG2 PRO 29 1HG PRO 29 7.759 -10.856 -7.439 170 HG3 PRO 29 2HG PRO 29 9.367 -11.318 -6.853 171 HD2 PRO 29 1HD PRO 29 7.190 -12.893 -6.523 172 HD3 PRO 29 2HD PRO 29 8.521 -12.846 -5.349 173 H ALA 30 H ALA 30 5.374 -8.799 -3.497 174 HA ALA 30 HA ALA 30 3.719 -8.259 -5.858 175 HB1 ALA 30 3HB ALA 30 2.039 -8.708 -4.481 176 HB2 ALA 30 1HB ALA 30 3.140 -8.814 -3.107 177 HB3 ALA 30 2HB ALA 30 2.447 -7.258 -3.564 178 H GLU 31 H GLU 31 3.815 -6.342 -6.815 179 HA GLU 31 HA GLU 31 4.834 -4.051 -5.266 180 HB2 GLU 31 1HB GLU 31 5.155 -4.642 -8.212 181 HB3 GLU 31 2HB GLU 31 5.657 -3.148 -7.433 182 HG2 GLU 31 1HG GLU 31 7.441 -4.118 -6.398 183 HG3 GLU 31 2HG GLU 31 6.687 -5.710 -6.344 184 H PHE 32 H PHE 32 3.883 -2.024 -5.602 185 HA PHE 32 HA PHE 32 1.537 -1.854 -7.317 186 HB2 PHE 32 1HB PHE 32 0.153 -0.952 -5.429 187 HB3 PHE 32 2HB PHE 32 0.530 -2.667 -5.292 188 HD1 PHE 32 2HD PHE 32 2.543 -3.300 -3.822 189 HD2 PHE 32 1HD PHE 32 0.599 0.483 -3.670 190 HE1 PHE 32 2HE PHE 32 3.470 -2.918 -1.575 191 HE2 PHE 32 1HE PHE 32 1.523 0.872 -1.423 192 HZ PHE 32 HZ PHE 32 2.960 -0.830 -0.372 193 H SER 33 H SER 33 0.996 0.234 -7.914 194 HA SER 33 HA SER 33 3.053 2.231 -7.336 195 HB2 SER 33 1HB SER 33 0.961 1.980 -9.494 196 HB3 SER 33 2HB SER 33 1.861 3.475 -9.241 197 HG SER 33 HG SER 33 2.657 1.132 -10.396 198 H ILE 34 H ILE 34 2.469 4.433 -6.866 199 HA ILE 34 HA ILE 34 -0.140 4.678 -5.514 200 HB ILE 34 HB ILE 34 2.386 6.082 -4.651 201 HG12 ILE 34 1HG1 ILE 34 1.119 3.681 -3.327 202 HG13 ILE 34 2HG1 ILE 34 2.483 3.561 -4.432 203 HG21 ILE 34 1HG2 ILE 34 -0.047 5.613 -2.977 204 HG22 ILE 34 2HG2 ILE 34 1.191 6.859 -2.827 205 HG23 ILE 34 3HG2 ILE 34 0.002 6.949 -4.126 206 HD11 ILE 34 3HD1 ILE 34 3.505 5.344 -2.766 207 HD12 ILE 34 1HD1 ILE 34 2.368 4.580 -1.656 208 HD13 ILE 34 2HD1 ILE 34 3.600 3.610 -2.462 209 H TRP 35 H TRP 35 -1.335 5.899 -6.844 210 HA TRP 35 HA TRP 35 -0.155 8.074 -8.349 211 HB2 TRP 35 1HB TRP 35 -2.802 6.706 -8.288 212 HB3 TRP 35 2HB TRP 35 -2.745 8.356 -8.900 213 HD1 TRP 35 HD TRP 35 -0.751 8.688 -10.930 214 HE1 TRP 35 1HE TRP 35 -0.318 7.120 -12.924 215 HE3 TRP 35 3HE TRP 35 -2.947 4.442 -9.118 216 HZ2 TRP 35 2HZ TRP 35 -0.839 4.439 -13.636 217 HZ3 TRP 35 3HZ TRP 35 -2.937 2.419 -10.518 218 HH2 TRP 35 HH TRP 35 -1.905 2.420 -12.730 219 H THR 36 H THR 36 0.014 10.083 -7.625 220 HA THR 36 HA THR 36 -2.059 11.315 -6.061 221 HB THR 36 HB THR 36 -1.058 10.373 -4.164 222 HG1 THR 36 1HG THR 36 -1.111 12.377 -3.449 223 HG21 THR 36 3HG2 THR 36 1.490 10.628 -3.833 224 HG22 THR 36 1HG2 THR 36 1.541 10.885 -5.575 225 HG23 THR 36 2HG2 THR 36 0.910 9.371 -4.926 226 H ARG 37 H ARG 37 -2.244 13.188 -7.095 227 HA ARG 37 HA ARG 37 0.218 14.625 -7.844 228 HB2 ARG 37 1HB ARG 37 -0.855 14.055 -9.868 229 HB3 ARG 37 2HB ARG 37 -2.448 14.434 -9.227 230 HG2 ARG 37 1HG ARG 37 -1.837 16.148 -10.763 231 HG3 ARG 37 2HG ARG 37 -1.768 16.827 -9.136 232 HD2 ARG 37 1HD ARG 37 0.683 15.673 -10.407 233 HD3 ARG 37 2HD ARG 37 0.159 17.309 -10.804 234 HE ARG 37 HE ARG 37 0.185 17.251 -8.079 235 HH11 ARG 37 1HH1 ARG 37 2.517 16.565 -10.571 236 HH12 ARG 37 2HH1 ARG 37 3.879 17.037 -9.609 237 HH21 ARG 37 1HH2 ARG 37 1.969 17.874 -6.802 238 HH22 ARG 37 2HH2 ARG 37 3.566 17.780 -7.464 239 H GLU 38 H GLU 38 -3.215 15.531 -7.571 240 HA GLU 38 HA GLU 38 -2.996 18.115 -6.839 241 HB2 GLU 38 1HB GLU 38 -5.147 16.980 -7.129 242 HB3 GLU 38 2HB GLU 38 -4.908 16.118 -5.616 243 HG2 GLU 38 1HG GLU 38 -5.333 17.966 -4.331 244 HG3 GLU 38 2HG GLU 38 -4.858 19.092 -5.601 245 H ALA 39 H ALA 39 -2.821 15.376 -4.580 246 HA ALA 39 HA ALA 39 -2.604 16.604 -2.173 247 HB1 ALA 39 3HB ALA 39 -2.413 14.116 -2.745 248 HB2 ALA 39 1HB ALA 39 -0.682 14.418 -2.903 249 HB3 ALA 39 2HB ALA 39 -1.494 14.713 -1.364 250 H GLY 40 H GLY 40 0.158 16.002 -4.356 251 HA2 GLY 40 1HA GLY 40 1.690 17.896 -4.735 252 HA3 GLY 40 2HA GLY 40 1.540 18.246 -3.020 253 H ALA 41 H ALA 41 3.864 17.551 -4.827 254 HA ALA 41 HA ALA 41 4.913 15.052 -4.378 255 HB1 ALA 41 3HB ALA 41 5.893 17.564 -5.261 256 HB2 ALA 41 1HB ALA 41 7.045 16.904 -4.099 257 HB3 ALA 41 2HB ALA 41 6.584 15.961 -5.517 258 H GLY 42 H GLY 42 4.721 14.076 -2.429 259 HA2 GLY 42 1HA GLY 42 6.163 15.332 -0.190 260 HA3 GLY 42 2HA GLY 42 4.548 14.689 0.064 261 H GLY 43 H GLY 43 6.531 13.741 1.627 262 HA2 GLY 43 1HA GLY 43 7.938 11.509 0.637 263 HA3 GLY 43 2HA GLY 43 7.557 11.810 2.326 264 H LEU 44 H LEU 44 7.596 9.247 1.432 265 HA LEU 44 HA LEU 44 4.815 8.479 1.799 266 HB2 LEU 44 1HB LEU 44 6.425 7.900 -0.642 267 HB3 LEU 44 2HB LEU 44 5.283 6.687 -0.062 268 HG LEU 44 HG LEU 44 4.584 9.516 -0.852 269 HD11 LEU 44 1HD1 LEU 44 4.927 7.094 -2.389 270 HD12 LEU 44 2HD1 LEU 44 4.640 8.745 -2.935 271 HD13 LEU 44 3HD1 LEU 44 3.279 7.709 -2.505 272 HD21 LEU 44 3HD2 LEU 44 2.997 8.896 0.738 273 HD22 LEU 44 1HD2 LEU 44 2.985 7.213 0.210 274 HD23 LEU 44 2HD2 LEU 44 2.243 8.457 -0.796 275 H SER 45 H SER 45 4.924 7.225 3.537 276 HA SER 45 HA SER 45 7.222 5.421 3.849 277 HB2 SER 45 1HB SER 45 6.711 7.084 5.676 278 HB3 SER 45 2HB SER 45 5.209 6.207 5.965 279 HG SER 45 HG SER 45 7.579 5.668 6.949 280 H ILE 46 H ILE 46 6.957 3.242 4.142 281 HA ILE 46 HA ILE 46 4.243 2.153 4.197 282 HB ILE 46 HB ILE 46 6.312 1.434 2.121 283 HG12 ILE 46 1HG1 ILE 46 3.446 2.251 1.680 284 HG13 ILE 46 2HG1 ILE 46 4.732 3.444 1.821 285 HG21 ILE 46 1HG2 ILE 46 3.729 0.058 2.834 286 HG22 ILE 46 2HG2 ILE 46 4.631 -0.236 1.349 287 HG23 ILE 46 3HG2 ILE 46 5.358 -0.615 2.910 288 HD11 ILE 46 3HD1 ILE 46 5.347 1.324 -0.073 289 HD12 ILE 46 1HD1 ILE 46 3.900 2.241 -0.491 290 HD13 ILE 46 2HD1 ILE 46 5.436 3.076 -0.256 291 H ALA 47 H ALA 47 4.104 0.632 5.700 292 HA ALA 47 HA ALA 47 6.472 -1.012 6.286 293 HB1 ALA 47 3HB ALA 47 6.657 -0.111 8.305 294 HB2 ALA 47 1HB ALA 47 5.232 0.890 8.028 295 HB3 ALA 47 2HB ALA 47 5.054 -0.732 8.697 296 H VAL 48 H VAL 48 5.916 -3.000 5.669 297 HA VAL 48 HA VAL 48 3.166 -3.911 5.876 298 HB VAL 48 HB VAL 48 5.642 -5.209 4.740 299 HG11 VAL 48 1HG1 VAL 48 2.999 -6.340 5.400 300 HG12 VAL 48 2HG1 VAL 48 3.635 -6.734 3.801 301 HG13 VAL 48 3HG1 VAL 48 4.567 -7.130 5.245 302 HG21 VAL 48 3HG2 VAL 48 3.428 -4.871 2.938 303 HG22 VAL 48 1HG2 VAL 48 3.844 -3.333 3.695 304 HG23 VAL 48 2HG2 VAL 48 5.073 -4.245 2.818 305 H GLU 49 H GLU 49 2.463 -4.720 7.735 306 HA GLU 49 HA GLU 49 4.279 -6.449 9.283 307 HB2 GLU 49 1HB GLU 49 2.241 -4.489 10.351 308 HB3 GLU 49 2HB GLU 49 3.126 -5.646 11.334 309 HG2 GLU 49 1HG GLU 49 5.149 -4.541 11.038 310 HG3 GLU 49 2HG GLU 49 4.570 -3.660 9.626 311 H GLY 50 H GLY 50 3.575 -8.470 9.396 312 HA2 GLY 50 1HA GLY 50 0.683 -8.957 9.598 313 HA3 GLY 50 2HA GLY 50 1.599 -9.782 8.345 314 HA PRO 51 HA PRO 51 1.522 -12.587 11.994 315 HB2 PRO 51 1HB PRO 51 1.194 -14.846 10.524 316 HB3 PRO 51 2HB PRO 51 -0.158 -13.828 11.036 317 HG2 PRO 51 1HG PRO 51 1.245 -13.925 8.392 318 HG3 PRO 51 2HG PRO 51 -0.492 -13.818 8.734 319 HD2 PRO 51 1HD PRO 51 0.992 -11.663 8.037 320 HD3 PRO 51 2HD PRO 51 -0.402 -11.550 9.132 321 H SER 52 H SER 52 3.504 -12.089 9.297 322 HA SER 52 HA SER 52 5.697 -13.496 10.593 323 HB2 SER 52 1HB SER 52 4.567 -15.051 8.894 324 HB3 SER 52 2HB SER 52 5.204 -13.969 7.655 325 HG SER 52 HG SER 52 7.227 -14.558 8.152 326 H LYS 53 H LYS 53 7.801 -13.042 9.394 327 HA LYS 53 HA LYS 53 8.063 -10.224 9.093 328 HB2 LYS 53 1HB LYS 53 9.838 -11.690 10.025 329 HB3 LYS 53 2HB LYS 53 10.064 -12.393 8.430 330 HG2 LYS 53 1HG LYS 53 10.928 -10.391 7.553 331 HG3 LYS 53 2HG LYS 53 10.366 -9.450 8.937 332 HD2 LYS 53 1HD LYS 53 12.072 -10.178 10.295 333 HD3 LYS 53 2HD LYS 53 12.285 -11.684 9.400 334 HE2 LYS 53 1HE LYS 53 13.059 -8.935 8.427 335 HE3 LYS 53 2HE LYS 53 14.169 -10.141 9.076 336 HZ1 LYS 53 3HZ LYS 53 14.395 -10.690 6.928 337 HZ2 LYS 53 1HZ LYS 53 12.929 -9.984 6.465 338 HZ3 LYS 53 2HZ LYS 53 12.944 -11.531 7.150 339 H ALA 54 H ALA 54 8.064 -8.988 7.314 340 HA ALA 54 HA ALA 54 7.943 -10.347 4.700 341 HB1 ALA 54 3HB ALA 54 6.769 -7.649 4.944 342 HB2 ALA 54 1HB ALA 54 6.217 -9.051 4.030 343 HB3 ALA 54 2HB ALA 54 5.915 -8.955 5.764 344 H GLU 55 H GLU 55 9.328 -9.715 3.149 345 HA GLU 55 HA GLU 55 11.411 -7.845 3.863 346 HB2 GLU 55 1HB GLU 55 11.633 -10.089 2.558 347 HB3 GLU 55 2HB GLU 55 11.151 -9.133 1.165 348 HG2 GLU 55 1HG GLU 55 13.498 -9.182 1.142 349 HG3 GLU 55 2HG GLU 55 13.052 -7.578 1.721 350 H ILE 56 H ILE 56 11.860 -5.896 2.895 351 HA ILE 56 HA ILE 56 9.918 -4.892 0.929 352 HB ILE 56 HB ILE 56 10.903 -3.366 3.341 353 HG12 ILE 56 1HG1 ILE 56 8.025 -3.915 2.744 354 HG13 ILE 56 2HG1 ILE 56 8.998 -5.191 3.467 355 HG21 ILE 56 1HG2 ILE 56 8.811 -1.985 2.124 356 HG22 ILE 56 2HG2 ILE 56 10.518 -1.540 2.134 357 HG23 ILE 56 3HG2 ILE 56 9.862 -2.490 0.801 358 HD11 ILE 56 3HD1 ILE 56 7.990 -2.686 4.625 359 HD12 ILE 56 1HD1 ILE 56 8.289 -4.253 5.377 360 HD13 ILE 56 2HD1 ILE 56 9.629 -3.143 5.086 361 H THR 57 H THR 57 10.773 -3.776 -0.727 362 HA THR 57 HA THR 57 13.587 -2.929 -0.527 363 HB THR 57 HB THR 57 12.348 -4.161 -2.994 364 HG1 THR 57 1HG THR 57 13.123 -6.045 -2.337 365 HG21 THR 57 3HG2 THR 57 15.047 -3.068 -2.308 366 HG22 THR 57 1HG2 THR 57 14.082 -2.832 -3.764 367 HG23 THR 57 2HG2 THR 57 14.902 -4.369 -3.490 368 H PHE 58 H PHE 58 13.572 -0.781 -0.620 369 HA PHE 58 HA PHE 58 11.932 0.506 -2.699 370 HB2 PHE 58 1HB PHE 58 11.080 0.804 -0.305 371 HB3 PHE 58 2HB PHE 58 12.515 1.787 -0.034 372 HD1 PHE 58 2HD PHE 58 12.869 3.558 -2.085 373 HD2 PHE 58 1HD PHE 58 9.165 1.979 -0.704 374 HE1 PHE 58 2HE PHE 58 11.696 5.518 -2.997 375 HE2 PHE 58 1HE PHE 58 7.986 3.938 -1.615 376 HZ PHE 58 HZ PHE 58 9.252 5.711 -2.762 377 H ASP 59 H ASP 59 13.165 1.494 -4.140 378 HA ASP 59 HA ASP 59 15.614 2.841 -3.235 379 HB2 ASP 59 1HB ASP 59 15.454 1.212 -5.776 380 HB3 ASP 59 2HB ASP 59 16.879 1.998 -5.102 381 H ASP 60 H ASP 60 15.326 4.924 -3.640 382 HA ASP 60 HA ASP 60 13.922 5.699 -6.112 383 HB2 ASP 60 1HB ASP 60 13.686 7.943 -4.798 384 HB3 ASP 60 2HB ASP 60 12.619 6.596 -4.411 385 H HIS 61 H HIS 61 15.070 6.692 -7.629 386 HA HIS 61 HA HIS 61 16.718 7.845 -8.695 387 HB2 HIS 61 1HB HIS 61 16.174 9.562 -6.925 388 HB3 HIS 61 2HB HIS 61 17.510 8.910 -5.981 389 HD1 HIS 61 1HD HIS 61 19.820 9.720 -6.548 390 HD2 HIS 61 2HD HIS 61 16.995 10.813 -9.392 391 HE1 HIS 61 1HE HIS 61 21.003 11.311 -8.095 392 H LYS 62 H LYS 62 17.253 5.237 -8.169 393 HA LYS 62 HA LYS 62 20.126 5.276 -7.514 394 HB2 LYS 62 1HB LYS 62 18.120 3.085 -6.956 395 HB3 LYS 62 2HB LYS 62 19.858 2.924 -6.739 396 HG2 LYS 62 1HG LYS 62 18.273 5.052 -5.338 397 HG3 LYS 62 2HG LYS 62 18.460 3.426 -4.677 398 HD2 LYS 62 1HD LYS 62 20.863 4.991 -5.535 399 HD3 LYS 62 2HD LYS 62 20.118 5.297 -3.965 400 HE2 LYS 62 1HE LYS 62 20.290 2.779 -3.589 401 HE3 LYS 62 2HE LYS 62 21.367 2.761 -4.984 402 HZ1 LYS 62 3HZ LYS 62 22.625 4.577 -3.714 403 HZ2 LYS 62 1HZ LYS 62 22.795 2.977 -3.194 404 HZ3 LYS 62 2HZ LYS 62 21.775 4.034 -2.356 405 H ASN 63 H ASN 63 17.569 3.690 -9.386 406 HA ASN 63 HA ASN 63 19.608 2.960 -11.384 407 HB2 ASN 63 1HB ASN 63 17.040 1.441 -10.926 408 HB3 ASN 63 2HB ASN 63 18.432 0.947 -11.885 409 HD21 ASN 63 1HD2 ASN 63 17.114 -0.435 -9.702 410 HD22 ASN 63 2HD2 ASN 63 18.321 -0.697 -8.494 411 H GLY 64 H GLY 64 16.439 4.264 -10.741 412 HA2 GLY 64 1HA GLY 64 16.193 6.025 -12.738 413 HA3 GLY 64 2HA GLY 64 15.800 4.525 -13.567 414 H SER 65 H SER 65 13.739 3.919 -13.575 415 HA SER 65 HA SER 65 11.890 5.309 -11.772 416 HB2 SER 65 1HB SER 65 10.131 4.604 -13.368 417 HB3 SER 65 2HB SER 65 11.402 5.539 -14.155 418 HG SER 65 HG SER 65 11.349 3.875 -15.471 419 H CYS 66 H CYS 66 12.077 4.072 -9.917 420 HA CYS 66 HA CYS 66 11.230 1.261 -10.151 421 HB2 CYS 66 1HB CYS 66 12.985 2.625 -8.109 422 HB3 CYS 66 2HB CYS 66 12.314 1.017 -7.868 423 HG CYS 66 HG CYS 66 14.685 0.218 -8.666 424 H GLY 67 H GLY 67 9.944 0.425 -8.324 425 HA2 GLY 67 1HA GLY 67 8.222 2.536 -7.176 426 HA3 GLY 67 2HA GLY 67 7.576 1.028 -7.806 427 H VAL 68 H VAL 68 6.733 0.076 -6.044 428 HA VAL 68 HA VAL 68 8.540 -0.348 -3.752 429 HB VAL 68 HB VAL 68 5.527 -0.133 -3.669 430 HG11 VAL 68 1HG1 VAL 68 7.377 -0.199 -1.309 431 HG12 VAL 68 2HG1 VAL 68 5.635 -0.476 -1.361 432 HG13 VAL 68 3HG1 VAL 68 6.740 -1.680 -2.022 433 HG21 VAL 68 3HG2 VAL 68 6.715 1.826 -2.054 434 HG22 VAL 68 1HG2 VAL 68 7.585 1.870 -3.587 435 HG23 VAL 68 2HG2 VAL 68 5.834 2.067 -3.562 436 H SER 69 H SER 69 8.772 -2.389 -2.984 437 HA SER 69 HA SER 69 7.067 -4.500 -4.109 438 HB2 SER 69 1HB SER 69 8.846 -5.796 -4.858 439 HB3 SER 69 2HB SER 69 9.407 -4.171 -5.249 440 HG SER 69 HG SER 69 10.978 -5.495 -4.153 441 H TYR 70 H TYR 70 6.798 -6.324 -2.811 442 HA TYR 70 HA TYR 70 8.160 -6.504 -0.265 443 HB2 TYR 70 1HB TYR 70 6.403 -6.045 1.151 444 HB3 TYR 70 2HB TYR 70 6.067 -4.899 -0.141 445 HD1 TYR 70 1HD TYR 70 5.169 -8.277 1.120 446 HD2 TYR 70 2HD TYR 70 4.023 -4.961 -1.286 447 HE1 TYR 70 1HE TYR 70 2.932 -9.262 0.839 448 HE2 TYR 70 2HE TYR 70 1.783 -5.935 -1.574 449 HH TYR 70 HH TYR 70 0.415 -7.958 0.198 450 H ILE 71 H ILE 71 8.147 -8.550 0.570 451 HA ILE 71 HA ILE 71 6.531 -10.557 -0.859 452 HB ILE 71 HB ILE 71 9.433 -10.679 -0.082 453 HG12 ILE 71 1HG1 ILE 71 8.013 -11.421 -2.647 454 HG13 ILE 71 2HG1 ILE 71 8.745 -9.848 -2.344 455 HG21 ILE 71 1HG2 ILE 71 9.100 -13.143 -0.964 456 HG22 ILE 71 2HG2 ILE 71 8.868 -12.735 0.736 457 HG23 ILE 71 3HG2 ILE 71 7.473 -12.899 -0.330 458 HD11 ILE 71 3HD1 ILE 71 10.605 -11.994 -1.830 459 HD12 ILE 71 1HD1 ILE 71 9.960 -12.065 -3.470 460 HD13 ILE 71 2HD1 ILE 71 10.754 -10.597 -2.897 461 H ALA 72 H ALA 72 5.692 -12.240 0.341 462 HA ALA 72 HA ALA 72 6.013 -12.011 3.264 463 HB1 ALA 72 3HB ALA 72 3.788 -11.293 2.442 464 HB2 ALA 72 1HB ALA 72 3.540 -12.917 1.798 465 HB3 ALA 72 2HB ALA 72 3.716 -12.675 3.536 466 H GLN 73 H GLN 73 7.478 -13.600 3.658 467 HA GLN 73 HA GLN 73 7.918 -15.970 2.413 468 HB2 GLN 73 1HB GLN 73 8.053 -15.288 5.343 469 HB3 GLN 73 2HB GLN 73 8.557 -16.859 4.732 470 HG2 GLN 73 1HG GLN 73 9.722 -14.178 4.025 471 HG3 GLN 73 2HG GLN 73 10.480 -15.457 4.973 472 HE21 GLN 73 1HE2 GLN 73 9.491 -14.446 1.789 473 HE22 GLN 73 2HE2 GLN 73 10.442 -15.590 0.912 474 H GLU 74 H GLU 74 5.480 -15.369 4.916 475 HA GLU 74 HA GLU 74 4.230 -17.937 4.191 476 HB2 GLU 74 1HB GLU 74 3.922 -16.547 6.849 477 HB3 GLU 74 2HB GLU 74 3.446 -18.186 6.430 478 HG2 GLU 74 1HG GLU 74 6.314 -17.375 6.275 479 HG3 GLU 74 2HG GLU 74 5.587 -17.783 7.827 480 HA PRO 75 HA PRO 75 0.703 -15.650 2.892 481 HB2 PRO 75 1HB PRO 75 -1.182 -17.589 3.128 482 HB3 PRO 75 2HB PRO 75 0.028 -17.578 1.840 483 HG2 PRO 75 1HG PRO 75 0.006 -19.124 4.402 484 HG3 PRO 75 2HG PRO 75 0.451 -19.664 2.773 485 HD2 PRO 75 1HD PRO 75 2.294 -18.998 4.641 486 HD3 PRO 75 2HD PRO 75 2.557 -18.737 2.905 487 H GLY 76 H GLY 76 -1.044 -14.529 3.720 488 HA2 GLY 76 1HA GLY 76 -2.666 -15.038 5.831 489 HA3 GLY 76 2HA GLY 76 -1.213 -14.418 6.599 490 H ASN 77 H ASN 77 -3.069 -12.871 7.255 491 HA ASN 77 HA ASN 77 -3.627 -10.848 5.240 492 HB2 ASN 77 1HB ASN 77 -5.096 -9.856 6.921 493 HB3 ASN 77 2HB ASN 77 -5.433 -11.576 6.753 494 HD21 ASN 77 1HD2 ASN 77 -5.940 -9.732 8.974 495 HD22 ASN 77 2HD2 ASN 77 -5.156 -10.429 10.348 496 H TYR 78 H TYR 78 -1.808 -9.675 4.866 497 HA TYR 78 HA TYR 78 -0.262 -8.656 7.119 498 HB2 TYR 78 1HB TYR 78 0.173 -8.651 4.136 499 HB3 TYR 78 2HB TYR 78 1.184 -7.711 5.228 500 HD1 TYR 78 2HD TYR 78 -0.170 -11.200 5.110 501 HD2 TYR 78 1HD TYR 78 3.205 -8.684 5.727 502 HE1 TYR 78 2HE TYR 78 1.227 -13.184 5.513 503 HE2 TYR 78 1HE TYR 78 4.612 -10.660 6.132 504 HH TYR 78 HH TYR 78 3.231 -13.928 6.141 505 H GLU 79 H GLU 79 -0.518 -6.682 7.922 506 HA GLU 79 HA GLU 79 -2.288 -4.818 6.528 507 HB2 GLU 79 1HB GLU 79 -2.423 -5.544 9.056 508 HB3 GLU 79 2HB GLU 79 -1.195 -4.302 9.263 509 HG2 GLU 79 1HG GLU 79 -2.925 -2.874 7.863 510 HG3 GLU 79 2HG GLU 79 -4.057 -4.044 8.539 511 H VAL 80 H VAL 80 -1.309 -3.463 5.178 512 HA VAL 80 HA VAL 80 1.426 -2.598 5.668 513 HB VAL 80 HB VAL 80 -0.427 -2.033 3.348 514 HG11 VAL 80 1HG1 VAL 80 1.504 -1.130 2.207 515 HG12 VAL 80 2HG1 VAL 80 1.242 -0.251 3.715 516 HG13 VAL 80 3HG1 VAL 80 2.522 -1.459 3.609 517 HG21 VAL 80 3HG2 VAL 80 1.138 -4.312 4.028 518 HG22 VAL 80 1HG2 VAL 80 0.164 -4.032 2.584 519 HG23 VAL 80 2HG2 VAL 80 1.858 -3.540 2.615 520 H SER 81 H SER 81 1.939 -0.737 6.604 521 HA SER 81 HA SER 81 -0.177 1.218 7.110 522 HB2 SER 81 1HB SER 81 1.320 2.141 8.803 523 HB3 SER 81 2HB SER 81 1.160 0.399 9.029 524 HG SER 81 HG SER 81 3.306 0.768 9.137 525 H ILE 82 H ILE 82 -0.389 2.738 5.607 526 HA ILE 82 HA ILE 82 2.049 3.848 4.379 527 HB ILE 82 HB ILE 82 -0.758 3.904 3.265 528 HG12 ILE 82 1HG1 ILE 82 1.620 2.168 2.574 529 HG13 ILE 82 2HG1 ILE 82 0.077 1.633 3.229 530 HG21 ILE 82 1HG2 ILE 82 1.008 5.734 2.706 531 HG22 ILE 82 2HG2 ILE 82 1.725 4.470 1.706 532 HG23 ILE 82 3HG2 ILE 82 0.067 4.996 1.409 533 HD11 ILE 82 3HD1 ILE 82 -1.036 2.003 1.217 534 HD12 ILE 82 1HD1 ILE 82 0.252 3.030 0.588 535 HD13 ILE 82 2HD1 ILE 82 0.505 1.290 0.743 536 H LYS 83 H LYS 83 2.531 5.913 4.748 537 HA LYS 83 HA LYS 83 0.414 7.694 5.757 538 HB2 LYS 83 1HB LYS 83 3.107 7.107 6.886 539 HB3 LYS 83 2HB LYS 83 2.523 8.763 6.985 540 HG2 LYS 83 1HG LYS 83 0.360 7.551 7.919 541 HG3 LYS 83 2HG LYS 83 1.550 6.319 8.349 542 HD2 LYS 83 1HD LYS 83 2.091 9.182 9.009 543 HD3 LYS 83 2HD LYS 83 0.983 8.251 10.020 544 HE2 LYS 83 1HE LYS 83 2.836 6.503 10.142 545 HE3 LYS 83 2HE LYS 83 3.895 7.743 9.473 546 HZ1 LYS 83 3HZ LYS 83 3.244 9.177 11.363 547 HZ2 LYS 83 1HZ LYS 83 4.068 7.779 11.839 548 HZ3 LYS 83 2HZ LYS 83 2.391 7.877 12.028 549 H PHE 84 H PHE 84 0.155 9.452 4.557 550 HA PHE 84 HA PHE 84 2.250 10.175 2.645 551 HB2 PHE 84 1HB PHE 84 0.071 9.837 1.661 552 HB3 PHE 84 2HB PHE 84 -0.669 10.944 2.813 553 HD1 PHE 84 2HD PHE 84 1.550 10.703 -0.114 554 HD2 PHE 84 1HD PHE 84 -0.620 13.292 2.475 555 HE1 PHE 84 2HE PHE 84 1.909 12.565 -1.680 556 HE2 PHE 84 1HE PHE 84 -0.265 15.159 0.912 557 HZ PHE 84 HZ PHE 84 1.002 14.797 -1.169 558 H ASN 85 H ASN 85 3.634 11.688 3.267 559 HA ASN 85 HA ASN 85 4.518 13.575 4.178 560 HB2 ASN 85 1HB ASN 85 1.702 14.358 3.587 561 HB3 ASN 85 2HB ASN 85 2.663 15.441 4.589 562 HD21 ASN 85 1HD2 ASN 85 1.764 16.358 2.237 563 HD22 ASN 85 2HD2 ASN 85 3.056 16.502 1.099 564 H ASP 86 H ASP 86 3.752 11.462 5.931 565 HA ASP 86 HA ASP 86 3.775 11.065 8.178 566 HB2 ASP 86 1HB ASP 86 3.646 14.045 8.634 567 HB3 ASP 86 2HB ASP 86 4.283 12.808 9.714 568 H GLU 87 H GLU 87 1.377 11.018 6.759 569 HA GLU 87 HA GLU 87 -0.501 11.563 8.924 570 HB2 GLU 87 1HB GLU 87 -0.572 12.818 6.226 571 HB3 GLU 87 2HB GLU 87 -2.102 12.313 6.928 572 HG2 GLU 87 1HG GLU 87 -1.553 13.660 8.943 573 HG3 GLU 87 2HG GLU 87 -0.125 14.255 8.096 574 H HIS 88 H HIS 88 -2.270 10.188 8.978 575 HA HIS 88 HA HIS 88 -1.976 7.774 7.375 576 HB2 HIS 88 1HB HIS 88 -3.288 8.472 9.947 577 HB3 HIS 88 2HB HIS 88 -4.014 7.168 9.011 578 HD2 HIS 88 2HD HIS 88 -0.815 7.886 11.105 579 HE1 HIS 88 1HE HIS 88 -0.747 3.814 9.915 580 HE2 HIS 88 2HE HIS 88 0.284 5.565 11.404 581 H ILE 89 H ILE 89 -2.875 8.006 5.406 582 HA ILE 89 HA ILE 89 -5.086 9.584 4.755 583 HB ILE 89 HB ILE 89 -5.261 7.804 2.800 584 HG12 ILE 89 1HG1 ILE 89 -2.374 7.417 3.456 585 HG13 ILE 89 2HG1 ILE 89 -3.557 6.397 4.267 586 HG21 ILE 89 1HG2 ILE 89 -3.127 9.866 3.256 587 HG22 ILE 89 2HG2 ILE 89 -3.280 9.004 1.726 588 HG23 ILE 89 3HG2 ILE 89 -4.610 10.002 2.312 589 HD11 ILE 89 3HD1 ILE 89 -2.520 5.480 2.160 590 HD12 ILE 89 1HD1 ILE 89 -4.281 5.457 2.241 591 HD13 ILE 89 2HD1 ILE 89 -3.458 6.690 1.285 592 HA PRO 90 HA PRO 90 -8.656 7.339 5.969 593 HB2 PRO 90 1HB PRO 90 -10.336 7.757 3.877 594 HB3 PRO 90 2HB PRO 90 -9.910 9.023 5.034 595 HG2 PRO 90 1HG PRO 90 -8.806 8.506 2.301 596 HG3 PRO 90 2HG PRO 90 -9.255 10.049 3.053 597 HD2 PRO 90 1HD PRO 90 -6.688 9.200 2.892 598 HD3 PRO 90 2HD PRO 90 -7.286 10.187 4.241 599 H GLU 91 H GLU 91 -6.664 6.226 3.605 600 HA GLU 91 HA GLU 91 -8.323 3.833 3.144 601 HB2 GLU 91 1HB GLU 91 -6.178 4.945 1.325 602 HB3 GLU 91 2HB GLU 91 -7.167 3.524 1.018 603 HG2 GLU 91 1HG GLU 91 -8.515 6.131 1.495 604 HG3 GLU 91 2HG GLU 91 -7.741 5.841 -0.061 605 H SER 92 H SER 92 -6.075 4.757 5.115 606 HA SER 92 HA SER 92 -4.622 2.208 4.990 607 HB2 SER 92 1HB SER 92 -2.533 3.165 5.156 608 HB3 SER 92 2HB SER 92 -3.350 4.404 4.202 609 HG SER 92 HG SER 92 -2.454 4.478 6.816 610 HA PRO 93 HA PRO 93 -2.732 1.557 6.297 611 HB2 PRO 93 1HB PRO 93 -2.841 -0.768 7.695 612 HB3 PRO 93 2HB PRO 93 -1.972 0.659 8.271 613 HG2 PRO 93 1HG PRO 93 -4.695 -0.332 9.021 614 HG3 PRO 93 2HG PRO 93 -3.412 0.310 10.062 615 HD2 PRO 93 1HD PRO 93 -5.534 1.799 9.279 616 HD3 PRO 93 2HD PRO 93 -3.927 2.499 9.561 617 H TYR 94 H TYR 94 -2.675 -0.354 4.951 618 HA TYR 94 HA TYR 94 -5.338 -1.061 3.970 619 HB2 TYR 94 1HB TYR 94 -2.596 -1.397 2.743 620 HB3 TYR 94 2HB TYR 94 -4.090 -1.944 1.990 621 HD1 TYR 94 2HD TYR 94 -2.642 1.165 3.482 622 HD2 TYR 94 1HD TYR 94 -5.086 -0.547 0.448 623 HE1 TYR 94 2HE TYR 94 -2.943 3.390 2.477 624 HE2 TYR 94 1HE TYR 94 -5.393 1.673 -0.566 625 HH TYR 94 HH TYR 94 -5.072 3.875 -0.309 626 H LEU 95 H LEU 95 -5.948 -3.219 3.572 627 HA LEU 95 HA LEU 95 -4.426 -5.206 5.127 628 HB2 LEU 95 1HB LEU 95 -6.707 -4.497 5.983 629 HB3 LEU 95 2HB LEU 95 -7.379 -5.306 4.569 630 HG LEU 95 HG LEU 95 -6.632 -7.437 5.339 631 HD11 LEU 95 1HD1 LEU 95 -4.484 -6.953 6.218 632 HD12 LEU 95 2HD1 LEU 95 -5.437 -7.620 7.543 633 HD13 LEU 95 3HD1 LEU 95 -5.154 -5.882 7.449 634 HD21 LEU 95 3HD2 LEU 95 -8.706 -6.761 6.313 635 HD22 LEU 95 1HD2 LEU 95 -7.880 -5.802 7.542 636 HD23 LEU 95 2HD2 LEU 95 -7.758 -7.562 7.567 637 H VAL 96 H VAL 96 -3.264 -6.258 3.608 638 HA VAL 96 HA VAL 96 -4.653 -7.210 1.199 639 HB VAL 96 HB VAL 96 -1.683 -7.360 1.618 640 HG11 VAL 96 1HG1 VAL 96 -3.351 -8.274 -0.373 641 HG12 VAL 96 2HG1 VAL 96 -2.727 -6.761 -1.031 642 HG13 VAL 96 3HG1 VAL 96 -1.611 -8.025 -0.511 643 HG21 VAL 96 3HG2 VAL 96 -3.342 -4.974 0.946 644 HG22 VAL 96 1HG2 VAL 96 -1.885 -5.092 1.933 645 HG23 VAL 96 2HG2 VAL 96 -1.769 -5.171 0.175 646 HA PRO 97 HA PRO 97 -4.608 -11.107 3.494 647 HB2 PRO 97 1HB PRO 97 -6.443 -12.313 1.897 648 HB3 PRO 97 2HB PRO 97 -6.885 -11.197 3.196 649 HG2 PRO 97 1HG PRO 97 -6.651 -10.684 0.255 650 HG3 PRO 97 2HG PRO 97 -7.900 -10.140 1.390 651 HD2 PRO 97 1HD PRO 97 -5.880 -8.535 0.567 652 HD3 PRO 97 2HD PRO 97 -6.601 -8.408 2.185 653 H VAL 98 H VAL 98 -2.443 -11.557 2.793 654 HA VAL 98 HA VAL 98 -1.856 -12.486 0.168 655 HB VAL 98 HB VAL 98 -0.273 -13.007 2.687 656 HG11 VAL 98 1HG1 VAL 98 0.087 -13.783 -0.027 657 HG12 VAL 98 2HG1 VAL 98 1.342 -12.615 0.393 658 HG13 VAL 98 3HG1 VAL 98 1.140 -14.080 1.355 659 HG21 VAL 98 3HG2 VAL 98 -0.243 -10.739 2.758 660 HG22 VAL 98 1HG2 VAL 98 1.022 -10.962 1.549 661 HG23 VAL 98 2HG2 VAL 98 -0.622 -10.569 1.044 662 H ILE 99 H ILE 99 -2.117 -14.438 -0.700 663 HA ILE 99 HA ILE 99 -2.763 -16.684 1.098 664 HB ILE 99 HB ILE 99 -4.027 -17.664 -0.790 665 HG12 ILE 99 1HG1 ILE 99 -3.950 -14.992 -2.150 666 HG13 ILE 99 2HG1 ILE 99 -2.680 -16.170 -2.467 667 HG21 ILE 99 1HG2 ILE 99 -5.724 -15.537 -0.792 668 HG22 ILE 99 2HG2 ILE 99 -5.608 -16.733 0.498 669 HG23 ILE 99 3HG2 ILE 99 -4.739 -15.206 0.633 670 HD11 ILE 99 3HD1 ILE 99 -5.429 -16.080 -3.408 671 HD12 ILE 99 1HD1 ILE 99 -4.025 -16.918 -4.070 672 HD13 ILE 99 2HD1 ILE 99 -4.960 -17.654 -2.767 673 H ALA 100 H ALA 100 -2.078 -18.803 0.421 674 HA ALA 100 HA ALA 100 0.566 -18.754 -0.748 675 HB1 ALA 100 3HB ALA 100 0.913 -20.526 0.546 676 HB2 ALA 100 1HB ALA 100 -0.732 -20.337 1.155 677 HB3 ALA 100 2HB ALA 100 -0.414 -21.406 -0.213 678 HA PRO 101 HA PRO 101 -1.161 -19.632 -4.795 679 HB2 PRO 101 1HB PRO 101 1.206 -19.434 -6.110 680 HB3 PRO 101 2HB PRO 101 0.266 -18.025 -5.604 681 HG2 PRO 101 1HG PRO 101 2.643 -19.287 -4.292 682 HG3 PRO 101 2HG PRO 101 2.285 -17.569 -4.543 683 HD2 PRO 101 1HD PRO 101 1.879 -18.810 -2.171 684 HD3 PRO 101 2HD PRO 101 0.857 -17.473 -2.737 685 H SER 102 H SER 102 -1.538 -21.583 -5.629 686 HA SER 102 HA SER 102 0.391 -23.737 -5.083 687 HB2 SER 102 1HB SER 102 -1.525 -25.281 -5.421 688 HB3 SER 102 2HB SER 102 -1.804 -24.141 -4.104 689 HG SER 102 HG SER 102 -3.087 -22.914 -5.513 690 H ASP 103 H ASP 103 1.736 -23.466 -6.849 691 HA ASP 103 HA ASP 103 0.708 -24.525 -9.340 692 HB2 ASP 103 1HB ASP 103 1.593 -21.690 -9.021 693 HB3 ASP 103 2HB ASP 103 2.001 -22.533 -10.513 694 H ASP 104 H ASP 104 2.227 -25.635 -10.473 695 HA ASP 104 HA ASP 104 4.847 -25.896 -9.211 696 HB2 ASP 104 1HB ASP 104 3.693 -27.972 -9.616 697 HB3 ASP 104 2HB ASP 104 3.436 -27.552 -11.308 698 H ALA 105 H ALA 105 6.793 -25.962 -10.506 699 HA ALA 105 HA ALA 105 6.667 -24.041 -12.724 700 HB1 ALA 105 3HB ALA 105 9.249 -24.849 -11.486 701 HB2 ALA 105 1HB ALA 105 8.750 -23.292 -12.150 702 HB3 ALA 105 2HB ALA 105 8.161 -23.807 -10.568 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -15.811 39.162 -1.317 2 HA2 GLY 1 1HA GLY 1 -14.229 40.406 0.170 3 HA3 GLY 1 2HA GLY 1 -14.641 39.217 1.397 4 H SER 2 H SER 2 -12.734 38.214 1.718 5 HA SER 2 HA SER 2 -11.583 36.805 -0.592 6 HB2 SER 2 1HB SER 2 -10.054 38.284 1.561 7 HB3 SER 2 2HB SER 2 -9.314 37.197 0.385 8 HG SER 2 HG SER 2 -9.428 38.718 -1.057 9 H SER 3 H SER 3 -9.924 35.109 0.268 10 HA SER 3 HA SER 3 -10.392 33.991 2.845 11 HB2 SER 3 1HB SER 3 -11.509 31.921 2.133 12 HB3 SER 3 2HB SER 3 -12.510 33.329 1.781 13 HG SER 3 HG SER 3 -12.552 32.506 -0.155 14 H GLY 4 H GLY 4 -9.011 32.241 3.311 15 HA2 GLY 4 1HA GLY 4 -6.944 31.790 1.248 16 HA3 GLY 4 2HA GLY 4 -6.611 31.855 2.972 17 H SER 5 H SER 5 -8.193 29.978 0.439 18 HA SER 5 HA SER 5 -9.130 27.801 1.758 19 HB2 SER 5 1HB SER 5 -8.556 26.459 -0.248 20 HB3 SER 5 2HB SER 5 -9.275 28.013 -0.668 21 HG SER 5 HG SER 5 -7.536 28.404 -1.759 22 H SER 6 H SER 6 -5.753 28.223 0.706 23 HA SER 6 HA SER 6 -3.825 27.177 1.327 24 HB2 SER 6 1HB SER 6 -5.315 27.322 3.948 25 HB3 SER 6 2HB SER 6 -3.657 26.734 3.836 26 HG SER 6 HG SER 6 -3.477 28.900 2.569 27 H GLY 7 H GLY 7 -5.515 25.454 0.049 28 HA2 GLY 7 1HA GLY 7 -5.008 22.935 1.502 29 HA3 GLY 7 2HA GLY 7 -6.531 23.210 0.669 30 H GLU 8 H GLU 8 -3.083 23.643 -0.146 31 HA GLU 8 HA GLU 8 -3.345 23.139 -2.869 32 HB2 GLU 8 1HB GLU 8 -1.045 22.895 -0.954 33 HB3 GLU 8 2HB GLU 8 -0.857 22.419 -2.637 34 HG2 GLU 8 1HG GLU 8 -1.790 24.764 -3.167 35 HG3 GLU 8 2HG GLU 8 -1.376 25.130 -1.492 36 H GLY 9 H GLY 9 -2.558 20.889 -0.232 37 HA2 GLY 9 1HA GLY 9 -3.563 18.696 -1.892 38 HA3 GLY 9 2HA GLY 9 -1.915 18.572 -1.294 39 H GLY 10 H GLY 10 -2.038 16.955 0.158 40 HA2 GLY 10 1HA GLY 10 -2.459 16.901 2.665 41 HA3 GLY 10 2HA GLY 10 -4.142 17.136 2.220 42 H ALA 11 H ALA 11 -2.835 14.928 3.674 43 HA ALA 11 HA ALA 11 -2.411 12.616 2.304 44 HB1 ALA 11 3HB ALA 11 -3.185 13.310 4.965 45 HB2 ALA 11 1HB ALA 11 -4.076 11.878 4.452 46 HB3 ALA 11 2HB ALA 11 -2.313 11.887 4.395 47 H HIS 12 H HIS 12 -5.571 13.995 3.144 48 HA HIS 12 HA HIS 12 -7.200 11.951 2.204 49 HB2 HIS 12 1HB HIS 12 -8.961 13.641 2.014 50 HB3 HIS 12 2HB HIS 12 -8.038 13.869 3.496 51 HD1 HIS 12 1HD HIS 12 -6.219 15.858 3.400 52 HD2 HIS 12 2HD HIS 12 -9.097 15.836 0.403 53 HE1 HIS 12 1HE HIS 12 -6.169 18.166 2.404 54 H LYS 13 H LYS 13 -5.603 14.553 0.462 55 HA LYS 13 HA LYS 13 -6.929 14.189 -2.010 56 HB2 LYS 13 1HB LYS 13 -4.239 15.383 -1.332 57 HB3 LYS 13 2HB LYS 13 -4.931 15.408 -2.949 58 HG2 LYS 13 1HG LYS 13 -6.543 16.480 -0.690 59 HG3 LYS 13 2HG LYS 13 -5.206 17.444 -1.322 60 HD2 LYS 13 1HD LYS 13 -7.014 18.170 -2.586 61 HD3 LYS 13 2HD LYS 13 -6.261 16.966 -3.634 62 HE2 LYS 13 1HE LYS 13 -7.931 15.407 -3.257 63 HE3 LYS 13 2HE LYS 13 -8.430 16.157 -1.741 64 HZ1 LYS 13 3HZ LYS 13 -8.923 17.181 -4.482 65 HZ2 LYS 13 1HZ LYS 13 -9.265 18.051 -3.073 66 HZ3 LYS 13 2HZ LYS 13 -10.075 16.601 -3.388 67 H VAL 14 H VAL 14 -4.044 12.758 -0.591 68 HA VAL 14 HA VAL 14 -3.078 11.461 -2.895 69 HB VAL 14 HB VAL 14 -2.771 10.710 0.015 70 HG11 VAL 14 1HG1 VAL 14 -1.417 9.640 -2.452 71 HG12 VAL 14 2HG1 VAL 14 -0.765 9.440 -0.824 72 HG13 VAL 14 3HG1 VAL 14 -2.331 8.743 -1.239 73 HG21 VAL 14 3HG2 VAL 14 -0.845 12.107 -1.838 74 HG22 VAL 14 1HG2 VAL 14 -1.883 12.929 -0.672 75 HG23 VAL 14 2HG2 VAL 14 -0.639 11.812 -0.111 76 H ARG 15 H ARG 15 -3.269 9.311 -3.588 77 HA ARG 15 HA ARG 15 -5.311 7.632 -2.371 78 HB2 ARG 15 1HB ARG 15 -6.227 9.247 -4.259 79 HB3 ARG 15 2HB ARG 15 -5.534 8.028 -5.320 80 HG2 ARG 15 1HG ARG 15 -7.664 7.238 -5.118 81 HG3 ARG 15 2HG ARG 15 -6.885 6.383 -3.785 82 HD2 ARG 15 1HD ARG 15 -7.794 7.833 -2.179 83 HD3 ARG 15 2HD ARG 15 -8.218 9.043 -3.390 84 HE ARG 15 HE ARG 15 -9.638 6.728 -3.991 85 HH11 ARG 15 1HH1 ARG 15 -9.455 9.089 -1.440 86 HH12 ARG 15 2HH1 ARG 15 -11.115 8.909 -0.978 87 HH21 ARG 15 1HH2 ARG 15 -11.825 6.481 -3.391 88 HH22 ARG 15 2HH2 ARG 15 -12.462 7.426 -2.087 89 H ALA 16 H ALA 16 -5.118 5.444 -2.883 90 HA ALA 16 HA ALA 16 -2.883 4.687 -4.633 91 HB1 ALA 16 3HB ALA 16 -1.675 4.262 -2.794 92 HB2 ALA 16 1HB ALA 16 -3.089 4.280 -1.740 93 HB3 ALA 16 2HB ALA 16 -2.687 2.824 -2.652 94 H GLY 17 H GLY 17 -2.893 2.281 -5.073 95 HA2 GLY 17 1HA GLY 17 -4.784 0.435 -4.670 96 HA3 GLY 17 2HA GLY 17 -5.607 1.520 -5.781 97 H GLY 18 H GLY 18 -4.265 -1.329 -5.801 98 HA2 GLY 18 1HA GLY 18 -3.658 -1.269 -8.592 99 HA3 GLY 18 2HA GLY 18 -2.201 -1.433 -7.623 100 HA PRO 19 HA PRO 19 -4.166 -5.625 -8.445 101 HB2 PRO 19 1HB PRO 19 -2.058 -6.687 -9.784 102 HB3 PRO 19 2HB PRO 19 -3.356 -5.799 -10.589 103 HG2 PRO 19 1HG PRO 19 -0.635 -4.853 -9.776 104 HG3 PRO 19 2HG PRO 19 -1.522 -4.550 -11.281 105 HD2 PRO 19 1HD PRO 19 -1.388 -2.731 -9.280 106 HD3 PRO 19 2HD PRO 19 -2.804 -2.882 -10.340 107 H GLY 20 H GLY 20 -1.692 -4.242 -6.718 108 HA2 GLY 20 1HA GLY 20 -0.642 -6.779 -5.689 109 HA3 GLY 20 2HA GLY 20 0.018 -5.182 -5.367 110 H LEU 21 H LEU 21 -2.674 -4.101 -4.753 111 HA LEU 21 HA LEU 21 -2.693 -4.835 -1.961 112 HB2 LEU 21 1HB LEU 21 -4.382 -2.878 -3.512 113 HB3 LEU 21 2HB LEU 21 -4.407 -3.071 -1.761 114 HG LEU 21 HG LEU 21 -1.929 -2.266 -3.268 115 HD11 LEU 21 1HD1 LEU 21 -2.969 -0.347 -3.735 116 HD12 LEU 21 2HD1 LEU 21 -2.834 -0.007 -2.011 117 HD13 LEU 21 3HD1 LEU 21 -4.318 -0.708 -2.657 118 HD21 LEU 21 3HD2 LEU 21 -2.763 -2.410 -0.403 119 HD22 LEU 21 1HD2 LEU 21 -1.559 -1.225 -0.910 120 HD23 LEU 21 2HD2 LEU 21 -1.266 -2.945 -1.166 121 H GLU 22 H GLU 22 -4.645 -5.396 -4.799 122 HA GLU 22 HA GLU 22 -7.057 -6.171 -3.717 123 HB2 GLU 22 1HB GLU 22 -5.633 -7.483 -6.039 124 HB3 GLU 22 2HB GLU 22 -7.356 -7.571 -5.702 125 HG2 GLU 22 1HG GLU 22 -7.146 -4.940 -5.815 126 HG3 GLU 22 2HG GLU 22 -5.749 -5.342 -6.811 127 H ARG 23 H ARG 23 -4.292 -8.312 -4.420 128 HA ARG 23 HA ARG 23 -4.750 -9.842 -2.038 129 HB2 ARG 23 1HB ARG 23 -6.396 -10.632 -3.955 130 HB3 ARG 23 2HB ARG 23 -4.965 -11.485 -4.520 131 HG2 ARG 23 1HG ARG 23 -4.842 -12.326 -2.054 132 HG3 ARG 23 2HG ARG 23 -6.551 -11.885 -2.030 133 HD2 ARG 23 1HD ARG 23 -5.545 -13.506 -4.311 134 HD3 ARG 23 2HD ARG 23 -5.739 -14.300 -2.749 135 HE ARG 23 HE ARG 23 -8.024 -14.120 -2.961 136 HH11 ARG 23 1HH1 ARG 23 -6.448 -12.244 -5.434 137 HH12 ARG 23 2HH1 ARG 23 -7.903 -11.964 -6.332 138 HH21 ARG 23 1HH2 ARG 23 -9.947 -13.758 -4.135 139 HH22 ARG 23 2HH2 ARG 23 -9.893 -12.824 -5.593 140 H GLY 24 H GLY 24 -2.926 -10.876 -1.399 141 HA2 GLY 24 1HA GLY 24 -0.650 -10.778 -3.276 142 HA3 GLY 24 2HA GLY 24 -0.509 -10.658 -1.528 143 H GLU 25 H GLU 25 1.040 -12.440 -2.935 144 HA GLU 25 HA GLU 25 -0.088 -15.008 -2.047 145 HB2 GLU 25 1HB GLU 25 1.098 -14.288 -4.680 146 HB3 GLU 25 2HB GLU 25 1.473 -15.877 -4.028 147 HG2 GLU 25 1HG GLU 25 -0.684 -16.617 -4.204 148 HG3 GLU 25 2HG GLU 25 -1.364 -14.994 -4.095 149 H ALA 26 H ALA 26 1.197 -16.164 -0.749 150 HA ALA 26 HA ALA 26 3.540 -15.104 0.344 151 HB1 ALA 26 3HB ALA 26 3.156 -18.042 0.435 152 HB2 ALA 26 1HB ALA 26 3.539 -16.905 1.730 153 HB3 ALA 26 2HB ALA 26 1.887 -17.031 1.125 154 H GLY 27 H GLY 27 5.531 -14.965 -0.446 155 HA2 GLY 27 1HA GLY 27 7.517 -15.908 -1.338 156 HA3 GLY 27 2HA GLY 27 6.543 -17.114 -2.165 157 H VAL 28 H VAL 28 4.696 -14.878 -3.049 158 HA VAL 28 HA VAL 28 6.279 -14.131 -5.398 159 HB VAL 28 HB VAL 28 3.294 -14.030 -4.946 160 HG11 VAL 28 1HG1 VAL 28 3.022 -12.968 -6.905 161 HG12 VAL 28 2HG1 VAL 28 4.692 -12.452 -6.664 162 HG13 VAL 28 3HG1 VAL 28 4.339 -13.849 -7.681 163 HG21 VAL 28 3HG2 VAL 28 4.890 -16.217 -5.457 164 HG22 VAL 28 1HG2 VAL 28 3.159 -16.100 -5.775 165 HG23 VAL 28 2HG2 VAL 28 4.317 -15.753 -7.059 166 HA PRO 29 HA PRO 29 6.632 -9.978 -3.909 167 HB2 PRO 29 1HB PRO 29 7.513 -8.864 -6.224 168 HB3 PRO 29 2HB PRO 29 8.541 -9.858 -5.184 169 HG2 PRO 29 1HG PRO 29 7.076 -10.615 -7.683 170 HG3 PRO 29 2HG PRO 29 8.724 -11.035 -7.181 171 HD2 PRO 29 1HD PRO 29 6.645 -12.750 -6.928 172 HD3 PRO 29 2HD PRO 29 8.007 -12.726 -5.789 173 H ALA 30 H ALA 30 5.062 -8.531 -3.640 174 HA ALA 30 HA ALA 30 3.194 -8.045 -5.868 175 HB1 ALA 30 3HB ALA 30 1.394 -8.014 -4.450 176 HB2 ALA 30 1HB ALA 30 2.407 -9.223 -3.660 177 HB3 ALA 30 2HB ALA 30 2.366 -7.570 -3.047 178 H GLU 31 H GLU 31 3.932 -6.188 -6.745 179 HA GLU 31 HA GLU 31 4.491 -3.935 -4.937 180 HB2 GLU 31 1HB GLU 31 5.509 -2.968 -7.133 181 HB3 GLU 31 2HB GLU 31 6.405 -4.171 -6.216 182 HG2 GLU 31 1HG GLU 31 5.968 -5.855 -7.753 183 HG3 GLU 31 2HG GLU 31 4.605 -4.990 -8.458 184 H PHE 32 H PHE 32 3.413 -2.024 -5.141 185 HA PHE 32 HA PHE 32 1.184 -1.988 -7.067 186 HB2 PHE 32 1HB PHE 32 0.137 -0.374 -5.378 187 HB3 PHE 32 2HB PHE 32 0.221 -2.070 -4.914 188 HD1 PHE 32 2HD PHE 32 2.207 -2.784 -3.453 189 HD2 PHE 32 1HD PHE 32 1.009 1.265 -3.993 190 HE1 PHE 32 2HE PHE 32 3.396 -2.160 -1.391 191 HE2 PHE 32 1HE PHE 32 2.197 1.894 -1.933 192 HZ PHE 32 HZ PHE 32 3.392 0.181 -0.629 193 H SER 33 H SER 33 0.449 0.240 -7.668 194 HA SER 33 HA SER 33 2.805 1.914 -8.191 195 HB2 SER 33 1HB SER 33 1.478 2.872 -10.043 196 HB3 SER 33 2HB SER 33 1.633 1.120 -10.190 197 HG SER 33 HG SER 33 -0.583 2.514 -10.165 198 H ILE 34 H ILE 34 2.981 3.878 -7.324 199 HA ILE 34 HA ILE 34 0.722 4.901 -5.759 200 HB ILE 34 HB ILE 34 3.637 5.688 -5.687 201 HG12 ILE 34 1HG1 ILE 34 2.096 4.304 -3.506 202 HG13 ILE 34 2HG1 ILE 34 2.869 3.384 -4.792 203 HG21 ILE 34 1HG2 ILE 34 2.203 6.499 -3.374 204 HG22 ILE 34 2HG2 ILE 34 3.032 7.501 -4.563 205 HG23 ILE 34 3HG2 ILE 34 1.336 7.080 -4.795 206 HD11 ILE 34 3HD1 ILE 34 4.280 5.289 -2.939 207 HD12 ILE 34 1HD1 ILE 34 4.243 3.534 -2.767 208 HD13 ILE 34 2HD1 ILE 34 5.027 4.267 -4.167 209 H TRP 35 H TRP 35 -0.488 6.435 -6.632 210 HA TRP 35 HA TRP 35 0.726 8.228 -8.628 211 HB2 TRP 35 1HB TRP 35 -2.088 7.207 -8.293 212 HB3 TRP 35 2HB TRP 35 -1.733 8.630 -9.269 213 HD1 TRP 35 HD TRP 35 -2.402 5.182 -9.810 214 HE1 TRP 35 1HE TRP 35 -1.285 4.274 -11.944 215 HE3 TRP 35 3HE TRP 35 0.994 8.921 -10.603 216 HZ2 TRP 35 2HZ TRP 35 0.765 5.041 -13.726 217 HZ3 TRP 35 3HZ TRP 35 2.496 8.757 -12.545 218 HH2 TRP 35 HH TRP 35 2.383 6.857 -14.073 219 H THR 36 H THR 36 1.160 10.189 -7.893 220 HA THR 36 HA THR 36 -0.719 11.439 -6.004 221 HB THR 36 HB THR 36 1.131 12.491 -4.808 222 HG1 THR 36 1HG THR 36 2.749 10.968 -6.592 223 HG21 THR 36 3HG2 THR 36 1.774 9.560 -4.914 224 HG22 THR 36 1HG2 THR 36 0.249 10.139 -4.245 225 HG23 THR 36 2HG2 THR 36 1.776 10.643 -3.523 226 H ARG 37 H ARG 37 -1.681 12.764 -7.497 227 HA ARG 37 HA ARG 37 0.050 14.540 -9.068 228 HB2 ARG 37 1HB ARG 37 -2.819 13.684 -9.358 229 HB3 ARG 37 2HB ARG 37 -2.203 15.103 -10.195 230 HG2 ARG 37 1HG ARG 37 -0.819 12.462 -10.448 231 HG3 ARG 37 2HG ARG 37 -2.242 12.841 -11.423 232 HD2 ARG 37 1HD ARG 37 -0.583 13.571 -12.822 233 HD3 ARG 37 2HD ARG 37 -0.906 15.051 -11.919 234 HE ARG 37 HE ARG 37 1.095 13.617 -10.587 235 HH11 ARG 37 1HH1 ARG 37 0.603 15.353 -13.564 236 HH12 ARG 37 2HH1 ARG 37 2.265 15.815 -13.721 237 HH21 ARG 37 1HH2 ARG 37 3.286 14.219 -10.782 238 HH22 ARG 37 2HH2 ARG 37 3.790 15.169 -12.138 239 H GLU 38 H GLU 38 -3.088 14.790 -7.380 240 HA GLU 38 HA GLU 38 -2.680 17.615 -6.936 241 HB2 GLU 38 1HB GLU 38 -4.891 15.685 -6.278 242 HB3 GLU 38 2HB GLU 38 -4.884 17.317 -5.625 243 HG2 GLU 38 1HG GLU 38 -5.017 16.489 -8.509 244 HG3 GLU 38 2HG GLU 38 -6.244 17.329 -7.563 245 H ALA 39 H ALA 39 -0.634 16.277 -5.737 246 HA ALA 39 HA ALA 39 -1.287 16.445 -2.866 247 HB1 ALA 39 3HB ALA 39 -0.231 14.521 -2.509 248 HB2 ALA 39 1HB ALA 39 -0.159 14.314 -4.259 249 HB3 ALA 39 2HB ALA 39 1.189 15.064 -3.404 250 H GLY 40 H GLY 40 1.411 16.880 -5.164 251 HA2 GLY 40 1HA GLY 40 2.488 19.064 -5.289 252 HA3 GLY 40 2HA GLY 40 2.245 19.211 -3.555 253 H ALA 41 H ALA 41 3.728 18.364 -2.162 254 HA ALA 41 HA ALA 41 5.811 16.599 -3.150 255 HB1 ALA 41 3HB ALA 41 7.572 18.187 -2.170 256 HB2 ALA 41 1HB ALA 41 6.895 18.576 -3.752 257 HB3 ALA 41 2HB ALA 41 6.331 19.433 -2.316 258 H GLY 42 H GLY 42 6.677 15.326 -1.574 259 HA2 GLY 42 1HA GLY 42 6.881 15.897 1.141 260 HA3 GLY 42 2HA GLY 42 5.312 15.144 0.903 261 H GLY 43 H GLY 43 6.688 13.718 2.509 262 HA2 GLY 43 1HA GLY 43 8.195 11.728 0.940 263 HA3 GLY 43 2HA GLY 43 8.347 11.971 2.674 264 H LEU 44 H LEU 44 7.766 9.529 1.129 265 HA LEU 44 HA LEU 44 5.105 8.894 2.217 266 HB2 LEU 44 1HB LEU 44 6.570 8.012 -0.211 267 HB3 LEU 44 2HB LEU 44 5.511 6.845 0.579 268 HG LEU 44 HG LEU 44 4.586 9.561 -0.341 269 HD11 LEU 44 1HD1 LEU 44 4.169 6.961 -1.791 270 HD12 LEU 44 2HD1 LEU 44 5.465 8.087 -2.194 271 HD13 LEU 44 3HD1 LEU 44 3.782 8.592 -2.338 272 HD21 LEU 44 3HD2 LEU 44 3.301 7.145 0.836 273 HD22 LEU 44 1HD2 LEU 44 2.396 8.106 -0.334 274 HD23 LEU 44 2HD2 LEU 44 2.995 8.855 1.146 275 H SER 45 H SER 45 4.826 7.076 3.475 276 HA SER 45 HA SER 45 7.235 5.540 4.167 277 HB2 SER 45 1HB SER 45 6.721 7.353 5.869 278 HB3 SER 45 2HB SER 45 5.237 6.473 6.234 279 HG SER 45 HG SER 45 7.281 6.028 7.501 280 H ILE 46 H ILE 46 6.932 3.397 4.303 281 HA ILE 46 HA ILE 46 4.169 2.388 4.425 282 HB ILE 46 HB ILE 46 6.385 1.375 2.641 283 HG12 ILE 46 1HG1 ILE 46 3.650 2.251 1.763 284 HG13 ILE 46 2HG1 ILE 46 4.917 3.443 2.035 285 HG21 ILE 46 1HG2 ILE 46 3.602 0.262 2.945 286 HG22 ILE 46 2HG2 ILE 46 4.901 -0.368 1.934 287 HG23 ILE 46 3HG2 ILE 46 5.039 -0.438 3.690 288 HD11 ILE 46 3HD1 ILE 46 4.609 2.626 -0.332 289 HD12 ILE 46 1HD1 ILE 46 6.249 2.565 0.312 290 HD13 ILE 46 2HD1 ILE 46 5.285 1.091 0.213 291 H ALA 47 H ALA 47 3.839 0.493 5.559 292 HA ALA 47 HA ALA 47 6.142 -0.851 6.747 293 HB1 ALA 47 3HB ALA 47 4.719 -0.762 8.969 294 HB2 ALA 47 1HB ALA 47 5.850 0.524 8.547 295 HB3 ALA 47 2HB ALA 47 4.124 0.732 8.249 296 H VAL 48 H VAL 48 5.868 -2.940 6.360 297 HA VAL 48 HA VAL 48 3.145 -4.008 6.116 298 HB VAL 48 HB VAL 48 5.761 -5.272 5.286 299 HG11 VAL 48 1HG1 VAL 48 3.080 -6.301 5.552 300 HG12 VAL 48 2HG1 VAL 48 3.639 -6.406 3.880 301 HG13 VAL 48 3HG1 VAL 48 4.577 -7.152 5.174 302 HG21 VAL 48 3HG2 VAL 48 3.821 -3.515 3.872 303 HG22 VAL 48 1HG2 VAL 48 5.578 -3.590 3.748 304 HG23 VAL 48 2HG2 VAL 48 4.587 -4.820 2.965 305 H GLU 49 H GLU 49 2.392 -4.731 8.008 306 HA GLU 49 HA GLU 49 4.172 -6.408 9.652 307 HB2 GLU 49 1HB GLU 49 1.877 -4.670 10.577 308 HB3 GLU 49 2HB GLU 49 2.855 -5.705 11.609 309 HG2 GLU 49 1HG GLU 49 4.677 -4.323 11.509 310 HG3 GLU 49 2HG GLU 49 4.205 -3.631 9.959 311 H GLY 50 H GLY 50 3.445 -8.378 10.312 312 HA2 GLY 50 1HA GLY 50 0.682 -9.131 10.180 313 HA3 GLY 50 2HA GLY 50 1.616 -9.800 8.851 314 HA PRO 51 HA PRO 51 1.838 -12.842 12.304 315 HB2 PRO 51 1HB PRO 51 1.606 -15.014 10.694 316 HB3 PRO 51 2HB PRO 51 0.211 -14.125 11.314 317 HG2 PRO 51 1HG PRO 51 1.524 -13.955 8.630 318 HG3 PRO 51 2HG PRO 51 -0.204 -13.986 9.030 319 HD2 PRO 51 1HD PRO 51 1.113 -11.695 8.436 320 HD3 PRO 51 2HD PRO 51 -0.246 -11.748 9.578 321 H SER 52 H SER 52 3.677 -12.065 9.560 322 HA SER 52 HA SER 52 6.031 -13.292 10.720 323 HB2 SER 52 1HB SER 52 4.985 -14.078 7.997 324 HB3 SER 52 2HB SER 52 6.660 -14.326 8.487 325 HG SER 52 HG SER 52 5.980 -15.715 10.077 326 H LYS 53 H LYS 53 8.012 -12.731 9.337 327 HA LYS 53 HA LYS 53 7.981 -9.901 8.901 328 HB2 LYS 53 1HB LYS 53 10.331 -10.066 8.632 329 HB3 LYS 53 2HB LYS 53 9.903 -11.237 9.873 330 HG2 LYS 53 1HG LYS 53 9.857 -12.954 7.980 331 HG3 LYS 53 2HG LYS 53 10.701 -11.732 7.027 332 HD2 LYS 53 1HD LYS 53 12.463 -12.930 7.911 333 HD3 LYS 53 2HD LYS 53 12.294 -11.631 9.093 334 HE2 LYS 53 1HE LYS 53 12.548 -13.706 10.269 335 HE3 LYS 53 2HE LYS 53 10.887 -13.147 10.470 336 HZ1 LYS 53 3HZ LYS 53 10.073 -14.792 9.110 337 HZ2 LYS 53 1HZ LYS 53 11.347 -15.605 9.872 338 HZ3 LYS 53 2HZ LYS 53 11.539 -15.019 8.297 339 H ALA 54 H ALA 54 8.417 -8.783 6.977 340 HA ALA 54 HA ALA 54 8.151 -10.343 4.495 341 HB1 ALA 54 3HB ALA 54 6.051 -9.005 5.427 342 HB2 ALA 54 1HB ALA 54 6.857 -7.677 4.592 343 HB3 ALA 54 2HB ALA 54 6.399 -9.131 3.703 344 H GLU 55 H GLU 55 9.328 -9.625 2.761 345 HA GLU 55 HA GLU 55 11.488 -7.809 3.352 346 HB2 GLU 55 1HB GLU 55 11.482 -10.001 1.896 347 HB3 GLU 55 2HB GLU 55 10.988 -8.904 0.614 348 HG2 GLU 55 1HG GLU 55 13.384 -8.278 2.279 349 HG3 GLU 55 2HG GLU 55 13.497 -9.441 0.959 350 H ILE 56 H ILE 56 12.049 -5.982 2.011 351 HA ILE 56 HA ILE 56 9.881 -4.803 0.451 352 HB ILE 56 HB ILE 56 11.189 -3.357 2.758 353 HG12 ILE 56 1HG1 ILE 56 8.259 -3.970 2.427 354 HG13 ILE 56 2HG1 ILE 56 9.350 -5.095 3.227 355 HG21 ILE 56 1HG2 ILE 56 9.219 -1.724 2.029 356 HG22 ILE 56 2HG2 ILE 56 10.836 -1.623 1.333 357 HG23 ILE 56 3HG2 ILE 56 9.551 -2.456 0.460 358 HD11 ILE 56 3HD1 ILE 56 9.747 -3.635 4.995 359 HD12 ILE 56 1HD1 ILE 56 9.141 -2.240 4.101 360 HD13 ILE 56 2HD1 ILE 56 8.019 -3.474 4.676 361 H THR 57 H THR 57 10.598 -3.728 -1.289 362 HA THR 57 HA THR 57 13.464 -3.046 -1.404 363 HB THR 57 HB THR 57 11.793 -3.990 -3.740 364 HG1 THR 57 1HG THR 57 13.424 -5.354 -1.901 365 HG21 THR 57 3HG2 THR 57 14.749 -3.457 -3.426 366 HG22 THR 57 1HG2 THR 57 13.611 -2.550 -4.423 367 HG23 THR 57 2HG2 THR 57 14.010 -4.218 -4.835 368 H PHE 58 H PHE 58 13.428 -0.882 -1.124 369 HA PHE 58 HA PHE 58 11.664 0.683 -2.891 370 HB2 PHE 58 1HB PHE 58 11.334 0.862 -0.355 371 HB3 PHE 58 2HB PHE 58 12.876 1.709 -0.329 372 HD1 PHE 58 2HD PHE 58 13.045 3.690 -2.082 373 HD2 PHE 58 1HD PHE 58 9.418 2.109 -0.514 374 HE1 PHE 58 2HE PHE 58 11.897 5.798 -2.622 375 HE2 PHE 58 1HE PHE 58 8.263 4.213 -1.053 376 HZ PHE 58 HZ PHE 58 9.502 6.062 -2.108 377 H ASP 59 H ASP 59 12.645 1.797 -4.435 378 HA ASP 59 HA ASP 59 15.538 2.226 -4.249 379 HB2 ASP 59 1HB ASP 59 15.184 2.849 -6.746 380 HB3 ASP 59 2HB ASP 59 15.095 1.155 -6.271 381 H ASP 60 H ASP 60 16.435 4.209 -4.180 382 HA ASP 60 HA ASP 60 14.612 6.485 -3.942 383 HB2 ASP 60 1HB ASP 60 16.532 7.654 -2.930 384 HB3 ASP 60 2HB ASP 60 16.175 6.143 -2.097 385 H HIS 61 H HIS 61 14.882 8.395 -5.109 386 HA HIS 61 HA HIS 61 15.233 9.612 -7.002 387 HB2 HIS 61 1HB HIS 61 17.520 9.650 -5.907 388 HB3 HIS 61 2HB HIS 61 17.985 8.369 -7.023 389 HD1 HIS 61 1HD HIS 61 16.654 11.926 -7.161 390 HD2 HIS 61 2HD HIS 61 18.945 9.274 -9.392 391 HE1 HIS 61 1HE HIS 61 17.503 13.255 -9.120 392 H LYS 62 H LYS 62 14.273 6.811 -7.236 393 HA LYS 62 HA LYS 62 15.201 5.256 -9.211 394 HB2 LYS 62 1HB LYS 62 12.980 4.566 -9.693 395 HB3 LYS 62 2HB LYS 62 12.994 5.034 -7.997 396 HG2 LYS 62 1HG LYS 62 12.216 7.061 -10.030 397 HG3 LYS 62 2HG LYS 62 11.065 5.792 -9.602 398 HD2 LYS 62 1HD LYS 62 11.137 6.433 -7.286 399 HD3 LYS 62 2HD LYS 62 12.435 7.587 -7.601 400 HE2 LYS 62 1HE LYS 62 10.976 8.968 -8.904 401 HE3 LYS 62 2HE LYS 62 9.695 7.757 -8.846 402 HZ1 LYS 62 3HZ LYS 62 9.359 8.151 -6.562 403 HZ2 LYS 62 1HZ LYS 62 9.454 9.680 -7.278 404 HZ3 LYS 62 2HZ LYS 62 10.773 9.066 -6.417 405 H ASN 63 H ASN 63 14.930 5.096 -11.503 406 HA ASN 63 HA ASN 63 15.247 7.656 -12.820 407 HB2 ASN 63 1HB ASN 63 16.720 5.682 -13.307 408 HB3 ASN 63 2HB ASN 63 15.329 4.893 -14.045 409 HD21 ASN 63 1HD2 ASN 63 18.016 6.103 -14.964 410 HD22 ASN 63 2HD2 ASN 63 17.575 6.996 -16.375 411 H GLY 64 H GLY 64 12.843 5.166 -12.504 412 HA2 GLY 64 1HA GLY 64 10.961 6.836 -13.983 413 HA3 GLY 64 2HA GLY 64 11.219 5.210 -14.596 414 H SER 65 H SER 65 9.282 7.061 -12.674 415 HA SER 65 HA SER 65 8.649 5.869 -10.377 416 HB2 SER 65 1HB SER 65 6.238 6.309 -10.856 417 HB3 SER 65 2HB SER 65 7.286 7.669 -11.259 418 HG SER 65 HG SER 65 7.243 6.415 -13.449 419 H CYS 66 H CYS 66 8.767 3.777 -9.876 420 HA CYS 66 HA CYS 66 7.432 1.841 -11.650 421 HB2 CYS 66 1HB CYS 66 9.918 1.585 -11.381 422 HB3 CYS 66 2HB CYS 66 9.644 1.261 -9.673 423 HG CYS 66 HG CYS 66 9.796 -1.261 -10.268 424 H GLY 67 H GLY 67 8.262 2.381 -8.220 425 HA2 GLY 67 1HA GLY 67 6.230 2.476 -6.737 426 HA3 GLY 67 2HA GLY 67 5.761 0.973 -7.516 427 H VAL 68 H VAL 68 5.735 0.550 -5.039 428 HA VAL 68 HA VAL 68 8.398 -0.364 -4.178 429 HB VAL 68 HB VAL 68 5.930 0.204 -2.531 430 HG11 VAL 68 1HG1 VAL 68 7.041 -1.621 -1.497 431 HG12 VAL 68 2HG1 VAL 68 8.626 -0.889 -1.753 432 HG13 VAL 68 3HG1 VAL 68 7.499 -0.175 -0.598 433 HG21 VAL 68 3HG2 VAL 68 6.827 2.282 -3.015 434 HG22 VAL 68 1HG2 VAL 68 7.636 1.873 -1.502 435 HG23 VAL 68 2HG2 VAL 68 8.483 1.678 -3.036 436 H SER 69 H SER 69 8.756 -2.470 -3.671 437 HA SER 69 HA SER 69 6.539 -4.336 -4.197 438 HB2 SER 69 1HB SER 69 8.031 -5.832 -5.157 439 HB3 SER 69 2HB SER 69 8.741 -4.288 -5.630 440 HG SER 69 HG SER 69 9.870 -4.674 -3.413 441 H TYR 70 H TYR 70 6.503 -6.327 -2.956 442 HA TYR 70 HA TYR 70 8.044 -6.497 -0.529 443 HB2 TYR 70 1HB TYR 70 6.305 -6.197 1.047 444 HB3 TYR 70 2HB TYR 70 6.173 -4.831 -0.054 445 HD1 TYR 70 1HD TYR 70 4.711 -8.129 0.790 446 HD2 TYR 70 2HD TYR 70 4.196 -4.454 -1.292 447 HE1 TYR 70 1HE TYR 70 2.355 -8.701 0.374 448 HE2 TYR 70 2HE TYR 70 1.838 -5.016 -1.713 449 HH TYR 70 HH TYR 70 0.115 -7.008 -0.150 450 H ILE 71 H ILE 71 8.198 -8.558 0.158 451 HA ILE 71 HA ILE 71 6.371 -10.531 -1.049 452 HB ILE 71 HB ILE 71 9.333 -10.727 -0.550 453 HG12 ILE 71 1HG1 ILE 71 7.750 -11.387 -3.033 454 HG13 ILE 71 2HG1 ILE 71 8.380 -9.775 -2.713 455 HG21 ILE 71 1HG2 ILE 71 8.870 -13.132 -1.508 456 HG22 ILE 71 2HG2 ILE 71 8.754 -12.802 0.220 457 HG23 ILE 71 3HG2 ILE 71 7.291 -12.881 -0.763 458 HD11 ILE 71 3HD1 ILE 71 10.478 -11.670 -2.374 459 HD12 ILE 71 1HD1 ILE 71 9.687 -11.948 -3.926 460 HD13 ILE 71 2HD1 ILE 71 10.341 -10.356 -3.541 461 H ALA 72 H ALA 72 5.684 -12.247 0.217 462 HA ALA 72 HA ALA 72 6.318 -12.045 3.090 463 HB1 ALA 72 3HB ALA 72 3.861 -11.590 1.932 464 HB2 ALA 72 1HB ALA 72 3.740 -13.255 2.501 465 HB3 ALA 72 2HB ALA 72 4.155 -11.964 3.630 466 H GLN 73 H GLN 73 7.676 -13.695 3.465 467 HA GLN 73 HA GLN 73 7.904 -16.073 2.083 468 HB2 GLN 73 1HB GLN 73 8.503 -15.428 4.969 469 HB3 GLN 73 2HB GLN 73 8.922 -16.968 4.230 470 HG2 GLN 73 1HG GLN 73 10.037 -14.252 3.699 471 HG3 GLN 73 2HG GLN 73 10.879 -15.759 4.060 472 HE21 GLN 73 1HE2 GLN 73 9.729 -13.684 1.638 473 HE22 GLN 73 2HE2 GLN 73 10.141 -14.658 0.272 474 H GLU 74 H GLU 74 5.827 -15.307 4.836 475 HA GLU 74 HA GLU 74 4.512 -17.921 4.481 476 HB2 GLU 74 1HB GLU 74 4.715 -16.197 6.955 477 HB3 GLU 74 2HB GLU 74 3.746 -17.659 6.839 478 HG2 GLU 74 1HG GLU 74 6.700 -17.653 6.321 479 HG3 GLU 74 2HG GLU 74 6.023 -17.858 7.935 480 HA PRO 75 HA PRO 75 0.872 -15.792 3.223 481 HB2 PRO 75 1HB PRO 75 -0.973 -17.687 3.840 482 HB3 PRO 75 2HB PRO 75 0.126 -17.828 2.463 483 HG2 PRO 75 1HG PRO 75 0.328 -19.065 5.181 484 HG3 PRO 75 2HG PRO 75 0.641 -19.793 3.594 485 HD2 PRO 75 1HD PRO 75 2.627 -18.917 5.212 486 HD3 PRO 75 2HD PRO 75 2.743 -18.862 3.441 487 H GLY 76 H GLY 76 -1.016 -14.775 4.038 488 HA2 GLY 76 1HA GLY 76 -2.395 -14.956 6.302 489 HA3 GLY 76 2HA GLY 76 -0.889 -14.284 6.909 490 H ASN 77 H ASN 77 -2.918 -12.757 7.442 491 HA ASN 77 HA ASN 77 -3.421 -10.873 5.288 492 HB2 ASN 77 1HB ASN 77 -4.953 -9.792 6.854 493 HB3 ASN 77 2HB ASN 77 -5.261 -11.526 6.799 494 HD21 ASN 77 1HD2 ASN 77 -5.757 -9.435 8.864 495 HD22 ASN 77 2HD2 ASN 77 -5.042 -10.062 10.307 496 H TYR 78 H TYR 78 -1.578 -9.734 4.893 497 HA TYR 78 HA TYR 78 -0.085 -8.564 7.095 498 HB2 TYR 78 1HB TYR 78 0.332 -8.639 4.110 499 HB3 TYR 78 2HB TYR 78 1.332 -7.651 5.168 500 HD1 TYR 78 2HD TYR 78 0.202 -11.164 4.661 501 HD2 TYR 78 1HD TYR 78 3.216 -8.573 6.179 502 HE1 TYR 78 2HE TYR 78 1.638 -13.109 5.109 503 HE2 TYR 78 1HE TYR 78 4.662 -10.511 6.631 504 HH TYR 78 HH TYR 78 3.499 -13.795 6.269 505 H GLU 79 H GLU 79 -0.713 -6.705 7.950 506 HA GLU 79 HA GLU 79 -2.388 -4.876 6.434 507 HB2 GLU 79 1HB GLU 79 -2.564 -5.594 8.979 508 HB3 GLU 79 2HB GLU 79 -1.439 -4.261 9.194 509 HG2 GLU 79 1HG GLU 79 -3.120 -2.874 7.851 510 HG3 GLU 79 2HG GLU 79 -4.248 -4.194 8.162 511 H VAL 80 H VAL 80 -1.351 -3.564 5.073 512 HA VAL 80 HA VAL 80 1.294 -2.541 5.728 513 HB VAL 80 HB VAL 80 -0.353 -2.035 3.247 514 HG11 VAL 80 1HG1 VAL 80 2.618 -1.910 3.337 515 HG12 VAL 80 2HG1 VAL 80 1.480 -1.028 2.318 516 HG13 VAL 80 3HG1 VAL 80 1.698 -0.563 4.006 517 HG21 VAL 80 3HG2 VAL 80 1.920 -3.841 3.005 518 HG22 VAL 80 1HG2 VAL 80 0.649 -4.464 4.057 519 HG23 VAL 80 2HG2 VAL 80 0.273 -4.006 2.396 520 H SER 81 H SER 81 1.363 -0.825 7.026 521 HA SER 81 HA SER 81 -0.777 1.141 7.001 522 HB2 SER 81 1HB SER 81 1.728 1.181 8.690 523 HB3 SER 81 2HB SER 81 0.210 2.026 8.993 524 HG SER 81 HG SER 81 -0.733 0.158 9.581 525 H ILE 82 H ILE 82 -0.725 2.830 5.692 526 HA ILE 82 HA ILE 82 1.890 3.831 4.778 527 HB ILE 82 HB ILE 82 -0.803 4.067 3.431 528 HG12 ILE 82 1HG1 ILE 82 1.666 2.543 2.577 529 HG13 ILE 82 2HG1 ILE 82 0.269 1.810 3.355 530 HG21 ILE 82 1HG2 ILE 82 1.405 5.756 3.223 531 HG22 ILE 82 2HG2 ILE 82 1.478 4.724 1.797 532 HG23 ILE 82 3HG2 ILE 82 0.025 5.667 2.128 533 HD11 ILE 82 3HD1 ILE 82 0.505 2.977 0.617 534 HD12 ILE 82 1HD1 ILE 82 -0.077 1.387 1.109 535 HD13 ILE 82 2HD1 ILE 82 -1.066 2.817 1.401 536 H LYS 83 H LYS 83 2.448 5.890 5.169 537 HA LYS 83 HA LYS 83 0.387 7.737 6.163 538 HB2 LYS 83 1HB LYS 83 2.947 6.922 7.456 539 HB3 LYS 83 2HB LYS 83 2.442 8.600 7.615 540 HG2 LYS 83 1HG LYS 83 0.159 7.492 8.319 541 HG3 LYS 83 2HG LYS 83 1.212 6.133 8.718 542 HD2 LYS 83 1HD LYS 83 1.801 8.921 9.670 543 HD3 LYS 83 2HD LYS 83 0.723 7.844 10.562 544 HE2 LYS 83 1HE LYS 83 3.586 7.246 9.823 545 HE3 LYS 83 2HE LYS 83 3.028 7.768 11.411 546 HZ1 LYS 83 3HZ LYS 83 3.087 5.165 10.334 547 HZ2 LYS 83 1HZ LYS 83 1.485 5.576 10.691 548 HZ3 LYS 83 2HZ LYS 83 2.667 5.653 11.898 549 H PHE 84 H PHE 84 0.322 9.527 4.988 550 HA PHE 84 HA PHE 84 2.650 10.240 3.358 551 HB2 PHE 84 1HB PHE 84 0.657 10.012 2.056 552 HB3 PHE 84 2HB PHE 84 -0.265 11.006 3.179 553 HD1 PHE 84 2HD PHE 84 2.354 11.054 0.590 554 HD2 PHE 84 1HD PHE 84 -0.256 13.370 3.028 555 HE1 PHE 84 2HE PHE 84 2.868 13.046 -0.759 556 HE2 PHE 84 1HE PHE 84 0.253 15.366 1.682 557 HZ PHE 84 HZ PHE 84 1.818 15.206 -0.214 558 H ASN 85 H ASN 85 3.891 11.910 3.883 559 HA ASN 85 HA ASN 85 4.716 13.694 5.036 560 HB2 ASN 85 1HB ASN 85 1.981 14.501 4.174 561 HB3 ASN 85 2HB ASN 85 2.824 15.556 5.304 562 HD21 ASN 85 1HD2 ASN 85 2.097 16.294 2.709 563 HD22 ASN 85 2HD2 ASN 85 3.538 16.564 1.795 564 H ASP 86 H ASP 86 3.693 11.528 6.634 565 HA ASP 86 HA ASP 86 3.491 11.077 8.863 566 HB2 ASP 86 1HB ASP 86 3.370 14.031 9.436 567 HB3 ASP 86 2HB ASP 86 3.942 12.734 10.482 568 H GLU 87 H GLU 87 1.249 11.112 7.229 569 HA GLU 87 HA GLU 87 -0.819 11.686 9.204 570 HB2 GLU 87 1HB GLU 87 -0.594 12.965 6.524 571 HB3 GLU 87 2HB GLU 87 -2.197 12.501 7.075 572 HG2 GLU 87 1HG GLU 87 -1.734 13.801 9.176 573 HG3 GLU 87 2HG GLU 87 -0.287 14.416 8.380 574 H HIS 88 H HIS 88 -2.522 10.276 9.156 575 HA HIS 88 HA HIS 88 -2.164 7.905 7.522 576 HB2 HIS 88 1HB HIS 88 -3.672 8.597 9.982 577 HB3 HIS 88 2HB HIS 88 -4.362 7.336 8.964 578 HD2 HIS 88 2HD HIS 88 -1.200 7.938 11.188 579 HE1 HIS 88 1HE HIS 88 -1.387 3.827 10.160 580 HE2 HIS 88 2HE HIS 88 -0.270 5.561 11.605 581 H ILE 89 H ILE 89 -2.951 7.999 5.517 582 HA ILE 89 HA ILE 89 -5.061 9.680 4.685 583 HB ILE 89 HB ILE 89 -5.061 7.946 2.686 584 HG12 ILE 89 1HG1 ILE 89 -2.288 7.505 3.773 585 HG13 ILE 89 2HG1 ILE 89 -3.602 6.396 4.148 586 HG21 ILE 89 1HG2 ILE 89 -3.742 9.433 1.589 587 HG22 ILE 89 2HG2 ILE 89 -4.035 10.375 3.050 588 HG23 ILE 89 3HG2 ILE 89 -2.530 9.473 2.869 589 HD11 ILE 89 3HD1 ILE 89 -3.519 5.443 2.136 590 HD12 ILE 89 1HD1 ILE 89 -3.342 6.988 1.304 591 HD13 ILE 89 2HD1 ILE 89 -1.931 6.200 2.010 592 HA PRO 90 HA PRO 90 -8.724 7.415 5.528 593 HB2 PRO 90 1HB PRO 90 -10.205 7.859 3.296 594 HB3 PRO 90 2HB PRO 90 -9.891 9.109 4.506 595 HG2 PRO 90 1HG PRO 90 -8.538 8.634 1.878 596 HG3 PRO 90 2HG PRO 90 -9.059 10.164 2.608 597 HD2 PRO 90 1HD PRO 90 -6.486 9.321 2.671 598 HD3 PRO 90 2HD PRO 90 -7.206 10.287 3.975 599 H GLU 91 H GLU 91 -6.530 6.351 3.311 600 HA GLU 91 HA GLU 91 -8.156 4.009 2.574 601 HB2 GLU 91 1HB GLU 91 -5.736 5.207 1.219 602 HB3 GLU 91 2HB GLU 91 -6.459 3.671 0.760 603 HG2 GLU 91 1HG GLU 91 -8.139 6.132 0.844 604 HG3 GLU 91 2HG GLU 91 -7.072 5.838 -0.528 605 H SER 92 H SER 92 -5.828 5.010 4.684 606 HA SER 92 HA SER 92 -4.665 2.307 4.871 607 HB2 SER 92 1HB SER 92 -2.586 3.162 5.354 608 HB3 SER 92 2HB SER 92 -3.190 4.452 4.314 609 HG SER 92 HG SER 92 -2.273 4.816 6.648 610 HA PRO 93 HA PRO 93 -3.010 1.593 6.457 611 HB2 PRO 93 1HB PRO 93 -3.411 -0.727 7.811 612 HB3 PRO 93 2HB PRO 93 -2.595 0.671 8.521 613 HG2 PRO 93 1HG PRO 93 -5.433 -0.228 8.835 614 HG3 PRO 93 2HG PRO 93 -4.307 0.371 10.066 615 HD2 PRO 93 1HD PRO 93 -6.230 1.929 8.969 616 HD3 PRO 93 2HD PRO 93 -4.665 2.577 9.501 617 H TYR 94 H TYR 94 -2.829 -0.536 5.320 618 HA TYR 94 HA TYR 94 -5.345 -1.126 3.913 619 HB2 TYR 94 1HB TYR 94 -2.471 -1.382 3.015 620 HB3 TYR 94 2HB TYR 94 -3.841 -1.991 2.091 621 HD1 TYR 94 2HD TYR 94 -2.644 1.166 3.694 622 HD2 TYR 94 1HD TYR 94 -4.768 -0.627 0.472 623 HE1 TYR 94 2HE TYR 94 -2.913 3.377 2.648 624 HE2 TYR 94 1HE TYR 94 -5.043 1.578 -0.582 625 HH TYR 94 HH TYR 94 -4.699 3.763 -0.398 626 H LEU 95 H LEU 95 -5.876 -3.286 3.416 627 HA LEU 95 HA LEU 95 -4.457 -5.302 5.029 628 HB2 LEU 95 1HB LEU 95 -6.761 -4.554 5.836 629 HB3 LEU 95 2HB LEU 95 -7.396 -5.391 4.421 630 HG LEU 95 HG LEU 95 -6.422 -7.496 5.269 631 HD11 LEU 95 1HD1 LEU 95 -6.041 -6.669 7.992 632 HD12 LEU 95 2HD1 LEU 95 -4.953 -5.784 6.923 633 HD13 LEU 95 3HD1 LEU 95 -4.947 -7.547 6.923 634 HD21 LEU 95 3HD2 LEU 95 -8.020 -7.821 7.087 635 HD22 LEU 95 1HD2 LEU 95 -8.746 -6.929 5.750 636 HD23 LEU 95 2HD2 LEU 95 -8.243 -6.075 7.209 637 H VAL 96 H VAL 96 -3.412 -6.618 3.692 638 HA VAL 96 HA VAL 96 -4.764 -7.453 1.207 639 HB VAL 96 HB VAL 96 -1.788 -7.590 1.556 640 HG11 VAL 96 1HG1 VAL 96 -3.460 -8.497 -0.395 641 HG12 VAL 96 2HG1 VAL 96 -2.976 -6.926 -1.038 642 HG13 VAL 96 3HG1 VAL 96 -1.751 -8.125 -0.621 643 HG21 VAL 96 3HG2 VAL 96 -2.319 -5.289 2.048 644 HG22 VAL 96 1HG2 VAL 96 -1.634 -5.389 0.426 645 HG23 VAL 96 2HG2 VAL 96 -3.374 -5.192 0.638 646 HA PRO 97 HA PRO 97 -4.641 -11.356 3.472 647 HB2 PRO 97 1HB PRO 97 -6.407 -12.610 1.834 648 HB3 PRO 97 2HB PRO 97 -6.907 -11.506 3.121 649 HG2 PRO 97 1HG PRO 97 -6.619 -10.988 0.187 650 HG3 PRO 97 2HG PRO 97 -7.909 -10.477 1.291 651 HD2 PRO 97 1HD PRO 97 -5.913 -8.819 0.515 652 HD3 PRO 97 2HD PRO 97 -6.676 -8.712 2.115 653 H VAL 98 H VAL 98 -2.562 -12.032 2.979 654 HA VAL 98 HA VAL 98 -1.935 -12.953 0.297 655 HB VAL 98 HB VAL 98 -0.255 -12.985 2.809 656 HG11 VAL 98 1HG1 VAL 98 0.175 -14.021 0.086 657 HG12 VAL 98 2HG1 VAL 98 1.506 -13.082 0.766 658 HG13 VAL 98 3HG1 VAL 98 0.904 -14.507 1.616 659 HG21 VAL 98 3HG2 VAL 98 -0.313 -11.089 0.464 660 HG22 VAL 98 1HG2 VAL 98 -0.739 -10.725 2.136 661 HG23 VAL 98 2HG2 VAL 98 0.931 -11.099 1.713 662 H ILE 99 H ILE 99 -1.760 -15.036 -0.348 663 HA ILE 99 HA ILE 99 -2.124 -17.145 1.671 664 HB ILE 99 HB ILE 99 -3.602 -18.372 0.154 665 HG12 ILE 99 1HG1 ILE 99 -3.936 -15.925 -1.538 666 HG13 ILE 99 2HG1 ILE 99 -2.609 -17.030 -1.879 667 HG21 ILE 99 1HG2 ILE 99 -4.540 -15.573 0.767 668 HG22 ILE 99 2HG2 ILE 99 -5.589 -16.938 0.387 669 HG23 ILE 99 3HG2 ILE 99 -4.605 -16.963 1.850 670 HD11 ILE 99 3HD1 ILE 99 -4.426 -18.851 -1.893 671 HD12 ILE 99 1HD1 ILE 99 -5.551 -17.504 -2.065 672 HD13 ILE 99 2HD1 ILE 99 -4.296 -17.765 -3.276 673 H ALA 100 H ALA 100 -1.401 -19.270 0.979 674 HA ALA 100 HA ALA 100 1.006 -19.077 -0.631 675 HB1 ALA 100 3HB ALA 100 0.543 -20.388 1.649 676 HB2 ALA 100 1HB ALA 100 0.173 -21.679 0.506 677 HB3 ALA 100 2HB ALA 100 1.757 -20.904 0.481 678 HA PRO 101 HA PRO 101 -1.229 -20.543 -4.215 679 HB2 PRO 101 1HB PRO 101 0.897 -20.442 -5.900 680 HB3 PRO 101 2HB PRO 101 -0.016 -19.007 -5.418 681 HG2 PRO 101 1HG PRO 101 2.588 -20.039 -4.359 682 HG3 PRO 101 2HG PRO 101 2.119 -18.373 -4.747 683 HD2 PRO 101 1HD PRO 101 2.136 -19.331 -2.214 684 HD3 PRO 101 2HD PRO 101 0.981 -18.099 -2.761 685 H SER 102 H SER 102 -1.715 -22.649 -4.248 686 HA SER 102 HA SER 102 0.163 -24.703 -3.627 687 HB2 SER 102 1HB SER 102 -2.649 -24.782 -4.731 688 HB3 SER 102 2HB SER 102 -1.717 -26.232 -4.360 689 HG SER 102 HG SER 102 -2.656 -25.917 -2.477 690 H ASP 103 H ASP 103 1.493 -25.788 -4.925 691 HA ASP 103 HA ASP 103 1.153 -25.474 -7.835 692 HB2 ASP 103 1HB ASP 103 3.698 -25.996 -7.823 693 HB3 ASP 103 2HB ASP 103 3.161 -24.380 -7.374 694 H ASP 104 H ASP 104 0.034 -27.311 -8.315 695 HA ASP 104 HA ASP 104 -0.434 -29.529 -8.583 696 HB2 ASP 104 1HB ASP 104 2.584 -29.553 -8.744 697 HB3 ASP 104 2HB ASP 104 1.574 -30.937 -9.156 698 H ALA 105 H ALA 105 -0.578 -28.799 -5.938 699 HA ALA 105 HA ALA 105 0.731 -30.991 -4.479 700 HB1 ALA 105 3HB ALA 105 -0.596 -29.259 -2.684 701 HB2 ALA 105 1HB ALA 105 1.139 -29.472 -2.918 702 HB3 ALA 105 2HB ALA 105 0.266 -28.252 -3.847 Start of MODEL 5 1 H1 GLY 1 H GLY 1 8.969 19.260 3.801 2 HA2 GLY 1 1HA GLY 1 6.611 20.777 2.873 3 HA3 GLY 1 2HA GLY 1 6.697 19.023 2.933 4 H SER 2 H SER 2 5.789 21.839 4.577 5 HA SER 2 HA SER 2 4.989 20.237 6.892 6 HB2 SER 2 1HB SER 2 7.198 21.655 7.203 7 HB3 SER 2 2HB SER 2 6.056 22.983 7.414 8 HG SER 2 HG SER 2 5.025 21.314 8.939 9 H SER 3 H SER 3 3.066 20.836 7.805 10 HA SER 3 HA SER 3 1.757 23.259 6.789 11 HB2 SER 3 1HB SER 3 0.507 20.501 6.848 12 HB3 SER 3 2HB SER 3 -0.348 21.994 6.462 13 HG SER 3 HG SER 3 1.906 21.025 5.037 14 H GLY 4 H GLY 4 1.343 24.453 8.525 15 HA2 GLY 4 1HA GLY 4 0.656 23.102 11.047 16 HA3 GLY 4 2HA GLY 4 1.263 24.745 10.903 17 H SER 5 H SER 5 -0.159 26.370 10.941 18 HA SER 5 HA SER 5 -2.779 26.075 11.703 19 HB2 SER 5 1HB SER 5 -1.320 28.203 11.620 20 HB3 SER 5 2HB SER 5 -1.924 28.389 9.974 21 HG SER 5 HG SER 5 -4.071 28.255 10.930 22 H SER 6 H SER 6 -1.711 26.914 8.402 23 HA SER 6 HA SER 6 -4.315 26.398 7.310 24 HB2 SER 6 1HB SER 6 -3.123 26.764 5.106 25 HB3 SER 6 2HB SER 6 -3.021 28.106 6.245 26 HG SER 6 HG SER 6 -1.041 26.409 5.313 27 H GLY 7 H GLY 7 -4.384 24.969 5.242 28 HA2 GLY 7 1HA GLY 7 -2.710 22.697 5.063 29 HA3 GLY 7 2HA GLY 7 -4.132 22.300 6.016 30 H GLU 8 H GLU 8 -2.953 23.223 2.856 31 HA GLU 8 HA GLU 8 -5.596 22.599 1.720 32 HB2 GLU 8 1HB GLU 8 -3.325 24.238 0.588 33 HB3 GLU 8 2HB GLU 8 -4.785 23.823 -0.300 34 HG2 GLU 8 1HG GLU 8 -4.741 25.388 2.268 35 HG3 GLU 8 2HG GLU 8 -4.803 26.103 0.659 36 H GLY 9 H GLY 9 -5.509 20.419 1.424 37 HA2 GLY 9 1HA GLY 9 -5.081 18.566 0.084 38 HA3 GLY 9 2HA GLY 9 -3.809 19.474 -0.718 39 H GLY 10 H GLY 10 -4.115 16.725 0.709 40 HA2 GLY 10 1HA GLY 10 -1.405 16.588 1.581 41 HA3 GLY 10 2HA GLY 10 -2.508 16.577 2.950 42 H ALA 11 H ALA 11 -3.066 14.633 3.645 43 HA ALA 11 HA ALA 11 -2.408 12.273 2.188 44 HB1 ALA 11 3HB ALA 11 -2.736 12.815 4.814 45 HB2 ALA 11 1HB ALA 11 -4.263 12.008 4.456 46 HB3 ALA 11 2HB ALA 11 -2.734 11.189 4.133 47 H HIS 12 H HIS 12 -5.550 13.523 3.336 48 HA HIS 12 HA HIS 12 -7.257 11.748 2.188 49 HB2 HIS 12 1HB HIS 12 -8.926 13.539 2.094 50 HB3 HIS 12 2HB HIS 12 -7.994 13.629 3.586 51 HD1 HIS 12 1HD HIS 12 -5.586 15.233 2.765 52 HD2 HIS 12 2HD HIS 12 -9.428 16.116 1.454 53 HE1 HIS 12 1HE HIS 12 -5.533 17.662 2.117 54 H LYS 13 H LYS 13 -5.251 14.036 0.560 55 HA LYS 13 HA LYS 13 -6.652 13.599 -1.979 56 HB2 LYS 13 1HB LYS 13 -4.456 15.540 -1.235 57 HB3 LYS 13 2HB LYS 13 -5.166 15.401 -2.838 58 HG2 LYS 13 1HG LYS 13 -6.916 15.926 -0.478 59 HG3 LYS 13 2HG LYS 13 -5.993 17.241 -1.209 60 HD2 LYS 13 1HD LYS 13 -7.959 17.380 -2.393 61 HD3 LYS 13 2HD LYS 13 -7.020 16.309 -3.435 62 HE2 LYS 13 1HE LYS 13 -8.260 14.464 -2.885 63 HE3 LYS 13 2HE LYS 13 -8.685 15.090 -1.292 64 HZ1 LYS 13 3HZ LYS 13 -10.648 15.193 -2.520 65 HZ2 LYS 13 1HZ LYS 13 -9.876 15.772 -3.910 66 HZ3 LYS 13 2HZ LYS 13 -10.066 16.781 -2.567 67 H VAL 14 H VAL 14 -5.243 11.423 -0.864 68 HA VAL 14 HA VAL 14 -3.296 10.980 -2.998 69 HB VAL 14 HB VAL 14 -2.703 10.690 -0.062 70 HG11 VAL 14 1HG1 VAL 14 -1.288 9.367 -2.373 71 HG12 VAL 14 2HG1 VAL 14 -0.636 9.489 -0.737 72 HG13 VAL 14 3HG1 VAL 14 -2.114 8.570 -1.033 73 HG21 VAL 14 3HG2 VAL 14 -0.905 12.118 -0.453 74 HG22 VAL 14 1HG2 VAL 14 -0.916 11.810 -2.190 75 HG23 VAL 14 2HG2 VAL 14 -2.186 12.793 -1.461 76 H ARG 15 H ARG 15 -3.192 8.887 -3.717 77 HA ARG 15 HA ARG 15 -4.746 6.861 -2.269 78 HB2 ARG 15 1HB ARG 15 -5.890 6.154 -4.256 79 HB3 ARG 15 2HB ARG 15 -6.144 7.885 -4.074 80 HG2 ARG 15 1HG ARG 15 -3.984 6.768 -5.831 81 HG3 ARG 15 2HG ARG 15 -5.634 7.021 -6.405 82 HD2 ARG 15 1HD ARG 15 -5.230 9.417 -5.340 83 HD3 ARG 15 2HD ARG 15 -3.547 9.001 -5.662 84 HE ARG 15 HE ARG 15 -3.947 9.254 -7.904 85 HH11 ARG 15 1HH1 ARG 15 -6.982 9.074 -6.208 86 HH12 ARG 15 2HH1 ARG 15 -7.931 9.499 -7.594 87 HH21 ARG 15 1HH2 ARG 15 -5.186 9.814 -9.736 88 HH22 ARG 15 2HH2 ARG 15 -6.908 9.918 -9.600 89 H ALA 16 H ALA 16 -4.315 4.640 -3.079 90 HA ALA 16 HA ALA 16 -1.494 4.402 -3.886 91 HB1 ALA 16 3HB ALA 16 -1.312 2.469 -2.617 92 HB2 ALA 16 1HB ALA 16 -2.370 3.485 -1.635 93 HB3 ALA 16 2HB ALA 16 -3.053 2.186 -2.614 94 H GLY 17 H GLY 17 -0.999 2.295 -5.062 95 HA2 GLY 17 1HA GLY 17 -2.179 2.266 -7.554 96 HA3 GLY 17 2HA GLY 17 -1.291 0.912 -6.874 97 H GLY 18 H GLY 18 -3.081 0.028 -8.466 98 HA2 GLY 18 1HA GLY 18 -5.620 -0.343 -7.049 99 HA3 GLY 18 2HA GLY 18 -5.302 -0.758 -8.727 100 HA PRO 19 HA PRO 19 -4.582 -4.949 -7.683 101 HB2 PRO 19 1HB PRO 19 -2.443 -5.625 -9.213 102 HB3 PRO 19 2HB PRO 19 -4.051 -5.334 -9.886 103 HG2 PRO 19 1HG PRO 19 -1.686 -3.503 -9.773 104 HG3 PRO 19 2HG PRO 19 -2.815 -3.790 -11.109 105 HD2 PRO 19 1HD PRO 19 -2.997 -1.629 -9.488 106 HD3 PRO 19 2HD PRO 19 -4.420 -2.397 -10.219 107 H GLY 20 H GLY 20 -2.871 -6.556 -6.952 108 HA2 GLY 20 1HA GLY 20 -0.997 -7.119 -5.694 109 HA3 GLY 20 2HA GLY 20 -0.501 -5.433 -5.727 110 H LEU 21 H LEU 21 -2.816 -4.258 -4.663 111 HA LEU 21 HA LEU 21 -2.396 -4.828 -1.870 112 HB2 LEU 21 1HB LEU 21 -4.213 -2.861 -3.253 113 HB3 LEU 21 2HB LEU 21 -3.966 -2.948 -1.510 114 HG LEU 21 HG LEU 21 -1.718 -2.406 -3.435 115 HD11 LEU 21 1HD1 LEU 21 -3.773 -0.565 -2.317 116 HD12 LEU 21 2HD1 LEU 21 -2.997 -0.563 -3.899 117 HD13 LEU 21 3HD1 LEU 21 -2.111 0.003 -2.483 118 HD21 LEU 21 3HD2 LEU 21 -1.404 -1.180 -0.912 119 HD22 LEU 21 1HD2 LEU 21 -0.482 -2.518 -1.597 120 HD23 LEU 21 2HD2 LEU 21 -1.915 -2.844 -0.622 121 H GLU 22 H GLU 22 -5.010 -5.190 -4.212 122 HA GLU 22 HA GLU 22 -7.108 -5.871 -2.561 123 HB2 GLU 22 1HB GLU 22 -6.472 -7.165 -5.218 124 HB3 GLU 22 2HB GLU 22 -8.050 -7.081 -4.448 125 HG2 GLU 22 1HG GLU 22 -6.632 -4.536 -5.004 126 HG3 GLU 22 2HG GLU 22 -7.338 -5.413 -6.360 127 H ARG 23 H ARG 23 -4.814 -8.146 -4.074 128 HA ARG 23 HA ARG 23 -5.073 -9.884 -1.739 129 HB2 ARG 23 1HB ARG 23 -6.632 -10.498 -3.780 130 HB3 ARG 23 2HB ARG 23 -5.146 -11.172 -4.434 131 HG2 ARG 23 1HG ARG 23 -5.918 -11.906 -1.661 132 HG3 ARG 23 2HG ARG 23 -6.813 -12.621 -3.003 133 HD2 ARG 23 1HD ARG 23 -3.829 -12.625 -3.063 134 HD3 ARG 23 2HD ARG 23 -4.673 -13.793 -2.046 135 HE ARG 23 HE ARG 23 -4.521 -13.780 -4.920 136 HH11 ARG 23 1HH1 ARG 23 -6.313 -14.870 -2.141 137 HH12 ARG 23 2HH1 ARG 23 -7.037 -16.208 -2.971 138 HH21 ARG 23 1HH2 ARG 23 -5.468 -15.538 -6.022 139 HH22 ARG 23 2HH2 ARG 23 -6.555 -16.587 -5.178 140 H GLY 24 H GLY 24 -3.300 -11.264 -1.392 141 HA2 GLY 24 1HA GLY 24 -0.972 -10.744 -3.134 142 HA3 GLY 24 2HA GLY 24 -0.842 -10.727 -1.382 143 H GLU 25 H GLU 25 0.864 -12.337 -2.585 144 HA GLU 25 HA GLU 25 -0.209 -15.008 -2.013 145 HB2 GLU 25 1HB GLU 25 1.199 -14.103 -4.494 146 HB3 GLU 25 2HB GLU 25 1.423 -15.752 -3.928 147 HG2 GLU 25 1HG GLU 25 -0.332 -16.077 -5.321 148 HG3 GLU 25 2HG GLU 25 -1.215 -15.703 -3.840 149 H ALA 26 H ALA 26 1.231 -16.443 -1.081 150 HA ALA 26 HA ALA 26 3.415 -15.272 0.342 151 HB1 ALA 26 3HB ALA 26 3.049 -18.225 0.191 152 HB2 ALA 26 1HB ALA 26 3.485 -17.210 1.565 153 HB3 ALA 26 2HB ALA 26 1.817 -17.249 0.991 154 H GLY 27 H GLY 27 5.418 -14.995 -0.378 155 HA2 GLY 27 1HA GLY 27 7.467 -15.645 -1.301 156 HA3 GLY 27 2HA GLY 27 6.672 -17.031 -2.033 157 H VAL 28 H VAL 28 4.978 -14.156 -2.556 158 HA VAL 28 HA VAL 28 6.185 -13.889 -5.234 159 HB VAL 28 HB VAL 28 3.296 -13.475 -4.451 160 HG11 VAL 28 1HG1 VAL 28 4.079 -13.531 -7.289 161 HG12 VAL 28 2HG1 VAL 28 2.880 -12.538 -6.460 162 HG13 VAL 28 3HG1 VAL 28 4.589 -12.106 -6.384 163 HG21 VAL 28 3HG2 VAL 28 2.979 -15.363 -6.124 164 HG22 VAL 28 1HG2 VAL 28 4.715 -15.638 -5.982 165 HG23 VAL 28 2HG2 VAL 28 3.678 -15.798 -4.565 166 HA PRO 29 HA PRO 29 7.090 -9.749 -3.904 167 HB2 PRO 29 1HB PRO 29 8.023 -8.861 -6.293 168 HB3 PRO 29 2HB PRO 29 8.963 -9.908 -5.224 169 HG2 PRO 29 1HG PRO 29 7.357 -10.628 -7.645 170 HG3 PRO 29 2HG PRO 29 8.964 -11.200 -7.158 171 HD2 PRO 29 1HD PRO 29 6.715 -12.659 -6.766 172 HD3 PRO 29 2HD PRO 29 8.102 -12.726 -5.660 173 H ALA 30 H ALA 30 5.087 -8.836 -3.521 174 HA ALA 30 HA ALA 30 3.338 -8.131 -5.715 175 HB1 ALA 30 3HB ALA 30 3.052 -8.512 -2.917 176 HB2 ALA 30 1HB ALA 30 2.519 -6.876 -3.306 177 HB3 ALA 30 2HB ALA 30 1.795 -8.258 -4.128 178 H GLU 31 H GLU 31 4.137 -6.532 -6.970 179 HA GLU 31 HA GLU 31 5.298 -4.164 -5.707 180 HB2 GLU 31 1HB GLU 31 5.060 -4.521 -8.671 181 HB3 GLU 31 2HB GLU 31 6.283 -3.658 -7.752 182 HG2 GLU 31 1HG GLU 31 7.293 -5.711 -7.047 183 HG3 GLU 31 2HG GLU 31 5.985 -6.651 -7.763 184 H PHE 32 H PHE 32 4.333 -2.215 -5.668 185 HA PHE 32 HA PHE 32 2.045 -1.659 -7.364 186 HB2 PHE 32 1HB PHE 32 0.532 -1.142 -5.547 187 HB3 PHE 32 2HB PHE 32 1.097 -2.800 -5.364 188 HD1 PHE 32 1HD PHE 32 1.414 0.635 -4.077 189 HD2 PHE 32 2HD PHE 32 2.356 -3.471 -3.471 190 HE1 PHE 32 1HE PHE 32 2.146 1.145 -1.785 191 HE2 PHE 32 2HE PHE 32 3.087 -2.968 -1.176 192 HZ PHE 32 HZ PHE 32 2.981 -0.658 -0.330 193 H SER 33 H SER 33 2.130 0.381 -8.032 194 HA SER 33 HA SER 33 3.968 2.214 -6.692 195 HB2 SER 33 1HB SER 33 2.537 2.554 -9.338 196 HB3 SER 33 2HB SER 33 3.858 3.545 -8.721 197 HG SER 33 HG SER 33 4.474 1.870 -10.251 198 H ILE 34 H ILE 34 3.371 4.375 -6.181 199 HA ILE 34 HA ILE 34 0.484 4.703 -5.682 200 HB ILE 34 HB ILE 34 2.751 5.919 -4.102 201 HG12 ILE 34 1HG1 ILE 34 0.879 3.817 -3.063 202 HG13 ILE 34 2HG1 ILE 34 2.302 3.346 -3.986 203 HG21 ILE 34 1HG2 ILE 34 1.177 6.885 -2.717 204 HG22 ILE 34 2HG2 ILE 34 0.419 7.050 -4.300 205 HG23 ILE 34 3HG2 ILE 34 -0.094 5.764 -3.207 206 HD11 ILE 34 3HD1 ILE 34 3.404 5.044 -2.200 207 HD12 ILE 34 1HD1 ILE 34 2.078 4.372 -1.251 208 HD13 ILE 34 2HD1 ILE 34 3.278 3.300 -1.974 209 H TRP 35 H TRP 35 -0.361 6.095 -7.081 210 HA TRP 35 HA TRP 35 1.260 8.221 -8.221 211 HB2 TRP 35 1HB TRP 35 -1.375 6.981 -8.846 212 HB3 TRP 35 2HB TRP 35 -1.117 8.648 -9.352 213 HD1 TRP 35 HD TRP 35 -0.909 5.391 -10.781 214 HE1 TRP 35 1HE TRP 35 0.793 5.264 -12.708 215 HE3 TRP 35 3HE TRP 35 1.680 9.704 -9.864 216 HZ2 TRP 35 2HZ TRP 35 2.949 6.789 -13.706 217 HZ3 TRP 35 3HZ TRP 35 3.547 10.297 -11.351 218 HH2 TRP 35 HH TRP 35 4.168 8.868 -13.232 219 H THR 36 H THR 36 1.070 10.352 -7.786 220 HA THR 36 HA THR 36 -1.036 11.184 -5.901 221 HB THR 36 HB THR 36 0.594 12.744 -4.861 222 HG1 THR 36 1HG THR 36 2.881 12.096 -5.300 223 HG21 THR 36 3HG2 THR 36 1.033 9.781 -4.769 224 HG22 THR 36 1HG2 THR 36 0.268 10.831 -3.577 225 HG23 THR 36 2HG2 THR 36 2.019 10.862 -3.787 226 H ARG 37 H ARG 37 -2.315 12.175 -7.425 227 HA ARG 37 HA ARG 37 -1.141 14.139 -9.224 228 HB2 ARG 37 1HB ARG 37 -3.805 12.815 -8.971 229 HB3 ARG 37 2HB ARG 37 -3.712 14.362 -9.801 230 HG2 ARG 37 1HG ARG 37 -1.779 13.204 -11.123 231 HG3 ARG 37 2HG ARG 37 -2.566 11.724 -10.573 232 HD2 ARG 37 1HD ARG 37 -3.643 12.075 -12.570 233 HD3 ARG 37 2HD ARG 37 -4.727 12.905 -11.455 234 HE ARG 37 HE ARG 37 -2.934 14.810 -12.302 235 HH11 ARG 37 1HH1 ARG 37 -5.251 12.684 -13.797 236 HH12 ARG 37 2HH1 ARG 37 -5.581 13.758 -15.116 237 HH21 ARG 37 1HH2 ARG 37 -3.360 16.233 -14.033 238 HH22 ARG 37 2HH2 ARG 37 -4.505 15.777 -15.250 239 H GLU 38 H GLU 38 -4.088 14.254 -7.223 240 HA GLU 38 HA GLU 38 -4.285 16.992 -7.024 241 HB2 GLU 38 1HB GLU 38 -5.141 14.786 -5.171 242 HB3 GLU 38 2HB GLU 38 -5.448 16.471 -4.775 243 HG2 GLU 38 1HG GLU 38 -6.324 15.252 -7.371 244 HG3 GLU 38 2HG GLU 38 -7.314 15.191 -5.914 245 H ALA 39 H ALA 39 -3.153 14.990 -4.302 246 HA ALA 39 HA ALA 39 -2.085 16.944 -2.730 247 HB1 ALA 39 3HB ALA 39 -0.270 14.838 -2.479 248 HB2 ALA 39 1HB ALA 39 -1.729 15.112 -1.527 249 HB3 ALA 39 2HB ALA 39 -1.792 14.088 -2.962 250 H GLY 40 H GLY 40 -0.355 18.258 -2.745 251 HA2 GLY 40 1HA GLY 40 1.085 18.784 -5.065 252 HA3 GLY 40 2HA GLY 40 1.564 19.299 -3.454 253 H ALA 41 H ALA 41 2.962 17.960 -2.223 254 HA ALA 41 HA ALA 41 4.025 15.521 -3.170 255 HB1 ALA 41 3HB ALA 41 6.396 16.829 -3.447 256 HB2 ALA 41 1HB ALA 41 5.362 16.317 -4.781 257 HB3 ALA 41 2HB ALA 41 5.270 17.973 -4.176 258 H GLY 42 H GLY 42 5.413 14.562 -1.686 259 HA2 GLY 42 1HA GLY 42 6.724 15.976 0.396 260 HA3 GLY 42 2HA GLY 42 5.200 15.324 0.977 261 H GLY 43 H GLY 43 6.431 14.023 2.450 262 HA2 GLY 43 1HA GLY 43 8.124 11.949 1.292 263 HA3 GLY 43 2HA GLY 43 7.876 12.255 3.005 264 H LEU 44 H LEU 44 7.789 9.718 1.599 265 HA LEU 44 HA LEU 44 5.021 8.956 2.253 266 HB2 LEU 44 1HB LEU 44 6.666 8.322 -0.136 267 HB3 LEU 44 2HB LEU 44 5.608 7.060 0.491 268 HG LEU 44 HG LEU 44 4.479 9.767 -0.069 269 HD11 LEU 44 1HD1 LEU 44 4.314 7.845 -2.276 270 HD12 LEU 44 2HD1 LEU 44 5.913 8.542 -2.021 271 HD13 LEU 44 3HD1 LEU 44 4.528 9.595 -2.303 272 HD21 LEU 44 3HD2 LEU 44 2.817 8.502 0.822 273 HD22 LEU 44 1HD2 LEU 44 3.520 6.983 0.267 274 HD23 LEU 44 2HD2 LEU 44 2.643 8.013 -0.864 275 H SER 45 H SER 45 4.835 7.388 3.718 276 HA SER 45 HA SER 45 7.238 5.808 4.363 277 HB2 SER 45 1HB SER 45 6.329 7.469 6.104 278 HB3 SER 45 2HB SER 45 4.983 6.346 6.290 279 HG SER 45 HG SER 45 7.736 5.779 6.686 280 H ILE 46 H ILE 46 7.058 3.616 4.620 281 HA ILE 46 HA ILE 46 4.418 2.383 4.390 282 HB ILE 46 HB ILE 46 6.713 1.754 2.531 283 HG12 ILE 46 1HG1 ILE 46 3.923 2.548 1.740 284 HG13 ILE 46 2HG1 ILE 46 5.132 3.770 2.121 285 HG21 ILE 46 1HG2 ILE 46 5.775 -0.329 3.014 286 HG22 ILE 46 2HG2 ILE 46 4.139 0.322 3.089 287 HG23 ILE 46 3HG2 ILE 46 4.957 0.172 1.534 288 HD11 ILE 46 3HD1 ILE 46 6.527 3.046 0.334 289 HD12 ILE 46 1HD1 ILE 46 5.510 1.636 0.039 290 HD13 ILE 46 2HD1 ILE 46 4.894 3.255 -0.299 291 H ALA 47 H ALA 47 4.208 0.707 5.727 292 HA ALA 47 HA ALA 47 6.575 -0.828 6.509 293 HB1 ALA 47 3HB ALA 47 5.527 1.132 8.161 294 HB2 ALA 47 1HB ALA 47 4.851 -0.370 8.792 295 HB3 ALA 47 2HB ALA 47 6.598 -0.185 8.640 296 H VAL 48 H VAL 48 6.103 -2.860 6.009 297 HA VAL 48 HA VAL 48 3.349 -3.780 5.971 298 HB VAL 48 HB VAL 48 5.877 -5.285 5.282 299 HG11 VAL 48 1HG1 VAL 48 3.089 -6.062 5.490 300 HG12 VAL 48 2HG1 VAL 48 3.756 -6.377 3.887 301 HG13 VAL 48 3HG1 VAL 48 4.532 -7.062 5.316 302 HG21 VAL 48 3HG2 VAL 48 5.827 -3.637 3.671 303 HG22 VAL 48 1HG2 VAL 48 4.856 -4.898 2.909 304 HG23 VAL 48 2HG2 VAL 48 4.067 -3.525 3.687 305 H GLU 49 H GLU 49 2.415 -4.690 7.669 306 HA GLU 49 HA GLU 49 4.086 -6.215 9.552 307 HB2 GLU 49 1HB GLU 49 1.843 -4.302 10.217 308 HB3 GLU 49 2HB GLU 49 2.569 -5.408 11.375 309 HG2 GLU 49 1HG GLU 49 4.667 -4.302 11.241 310 HG3 GLU 49 2HG GLU 49 4.133 -3.328 9.872 311 H GLY 50 H GLY 50 3.466 -8.261 9.718 312 HA2 GLY 50 1HA GLY 50 0.615 -8.917 9.587 313 HA3 GLY 50 2HA GLY 50 1.680 -9.684 8.419 314 HA PRO 51 HA PRO 51 1.444 -12.500 12.056 315 HB2 PRO 51 1HB PRO 51 1.360 -14.769 10.568 316 HB3 PRO 51 2HB PRO 51 -0.082 -13.825 10.964 317 HG2 PRO 51 1HG PRO 51 1.539 -13.842 8.447 318 HG3 PRO 51 2HG PRO 51 -0.223 -13.829 8.643 319 HD2 PRO 51 1HD PRO 51 1.197 -11.595 8.067 320 HD3 PRO 51 2HD PRO 51 -0.287 -11.558 9.042 321 H SER 52 H SER 52 3.479 -12.349 9.224 322 HA SER 52 HA SER 52 5.708 -13.389 10.817 323 HB2 SER 52 1HB SER 52 4.908 -14.331 8.061 324 HB3 SER 52 2HB SER 52 6.519 -14.592 8.727 325 HG SER 52 HG SER 52 5.213 -16.381 9.152 326 H LYS 53 H LYS 53 7.827 -13.061 9.462 327 HA LYS 53 HA LYS 53 8.066 -10.261 9.019 328 HB2 LYS 53 1HB LYS 53 9.889 -11.659 9.942 329 HB3 LYS 53 2HB LYS 53 10.038 -12.465 8.386 330 HG2 LYS 53 1HG LYS 53 11.742 -10.901 8.343 331 HG3 LYS 53 2HG LYS 53 10.447 -10.108 7.442 332 HD2 LYS 53 1HD LYS 53 9.800 -9.098 9.739 333 HD3 LYS 53 2HD LYS 53 11.436 -9.557 10.216 334 HE2 LYS 53 1HE LYS 53 12.268 -8.288 8.216 335 HE3 LYS 53 2HE LYS 53 10.622 -7.698 7.988 336 HZ1 LYS 53 3HZ LYS 53 11.153 -7.191 10.614 337 HZ2 LYS 53 1HZ LYS 53 11.198 -6.061 9.355 338 HZ3 LYS 53 2HZ LYS 53 12.619 -6.836 9.846 339 H ALA 54 H ALA 54 8.086 -9.102 7.175 340 HA ALA 54 HA ALA 54 7.924 -10.572 4.626 341 HB1 ALA 54 3HB ALA 54 6.184 -9.235 3.842 342 HB2 ALA 54 1HB ALA 54 5.735 -9.568 5.516 343 HB3 ALA 54 2HB ALA 54 6.439 -8.009 5.085 344 H GLU 55 H GLU 55 9.124 -9.801 2.962 345 HA GLU 55 HA GLU 55 11.172 -7.893 3.560 346 HB2 GLU 55 1HB GLU 55 11.451 -9.920 2.086 347 HB3 GLU 55 2HB GLU 55 10.501 -9.082 0.867 348 HG2 GLU 55 1HG GLU 55 12.245 -7.207 1.107 349 HG3 GLU 55 2HG GLU 55 13.234 -8.435 1.893 350 H ILE 56 H ILE 56 11.575 -5.915 2.482 351 HA ILE 56 HA ILE 56 9.353 -4.750 0.976 352 HB ILE 56 HB ILE 56 10.556 -3.494 3.445 353 HG12 ILE 56 1HG1 ILE 56 7.641 -4.003 2.899 354 HG13 ILE 56 2HG1 ILE 56 8.666 -5.259 3.585 355 HG21 ILE 56 1HG2 ILE 56 8.482 -2.288 1.627 356 HG22 ILE 56 2HG2 ILE 56 9.309 -1.527 2.986 357 HG23 ILE 56 3HG2 ILE 56 10.203 -1.919 1.517 358 HD11 ILE 56 3HD1 ILE 56 7.639 -4.239 5.414 359 HD12 ILE 56 1HD1 ILE 56 9.265 -3.557 5.376 360 HD13 ILE 56 2HD1 ILE 56 7.901 -2.618 4.770 361 H THR 57 H THR 57 10.002 -3.485 -0.662 362 HA THR 57 HA THR 57 12.800 -2.568 -0.688 363 HB THR 57 HB THR 57 11.291 -3.725 -3.039 364 HG1 THR 57 1HG THR 57 13.379 -4.702 -1.383 365 HG21 THR 57 3HG2 THR 57 12.703 -2.025 -3.888 366 HG22 THR 57 1HG2 THR 57 13.578 -3.537 -4.129 367 HG23 THR 57 2HG2 THR 57 14.016 -2.468 -2.797 368 H PHE 58 H PHE 58 12.635 -0.422 -0.471 369 HA PHE 58 HA PHE 58 10.497 1.014 -1.851 370 HB2 PHE 58 1HB PHE 58 10.924 1.501 0.542 371 HB3 PHE 58 2HB PHE 58 12.546 2.043 0.123 372 HD1 PHE 58 1HD PHE 58 8.974 2.821 -0.051 373 HD2 PHE 58 2HD PHE 58 12.911 4.164 -0.953 374 HE1 PHE 58 1HE PHE 58 8.105 5.088 -0.452 375 HE2 PHE 58 2HE PHE 58 12.048 6.432 -1.355 376 HZ PHE 58 HZ PHE 58 9.643 6.897 -1.105 377 H ASP 59 H ASP 59 10.818 2.091 -3.681 378 HA ASP 59 HA ASP 59 13.590 2.517 -4.573 379 HB2 ASP 59 1HB ASP 59 11.049 1.892 -6.022 380 HB3 ASP 59 2HB ASP 59 12.301 2.806 -6.859 381 H ASP 60 H ASP 60 14.216 4.495 -5.426 382 HA ASP 60 HA ASP 60 12.583 6.752 -4.561 383 HB2 ASP 60 1HB ASP 60 14.592 8.096 -4.883 384 HB3 ASP 60 2HB ASP 60 14.961 6.678 -3.906 385 H HIS 61 H HIS 61 11.986 8.456 -5.918 386 HA HIS 61 HA HIS 61 11.751 7.699 -8.734 387 HB2 HIS 61 1HB HIS 61 10.298 9.698 -7.008 388 HB3 HIS 61 2HB HIS 61 10.134 9.688 -8.761 389 HD1 HIS 61 1HD HIS 61 8.843 7.708 -9.821 390 HD2 HIS 61 2HD HIS 61 8.993 7.622 -5.670 391 HE1 HIS 61 1HE HIS 61 7.139 5.995 -9.123 392 H LYS 62 H LYS 62 13.366 8.381 -9.979 393 HA LYS 62 HA LYS 62 14.199 11.192 -9.753 394 HB2 LYS 62 1HB LYS 62 15.865 9.543 -8.742 395 HB3 LYS 62 2HB LYS 62 16.135 8.968 -10.383 396 HG2 LYS 62 1HG LYS 62 16.787 11.267 -11.032 397 HG3 LYS 62 2HG LYS 62 16.632 11.749 -9.342 398 HD2 LYS 62 1HD LYS 62 18.250 9.687 -8.980 399 HD3 LYS 62 2HD LYS 62 18.680 10.036 -10.656 400 HE2 LYS 62 1HE LYS 62 20.198 11.290 -9.390 401 HE3 LYS 62 2HE LYS 62 18.973 12.456 -9.886 402 HZ1 LYS 62 3HZ LYS 62 19.563 12.694 -7.547 403 HZ2 LYS 62 1HZ LYS 62 19.078 11.102 -7.245 404 HZ3 LYS 62 2HZ LYS 62 17.939 12.256 -7.723 405 H ASN 63 H ASN 63 14.731 8.329 -11.822 406 HA ASN 63 HA ASN 63 14.216 10.050 -14.157 407 HB2 ASN 63 1HB ASN 63 15.951 7.595 -13.862 408 HB3 ASN 63 2HB ASN 63 15.523 8.284 -15.424 409 HD21 ASN 63 1HD2 ASN 63 15.952 10.710 -15.556 410 HD22 ASN 63 2HD2 ASN 63 17.473 11.240 -14.933 411 H GLY 64 H GLY 64 13.072 7.429 -12.337 412 HA2 GLY 64 1HA GLY 64 10.716 6.849 -12.943 413 HA3 GLY 64 2HA GLY 64 11.327 6.594 -14.572 414 H SER 65 H SER 65 11.572 5.432 -11.239 415 HA SER 65 HA SER 65 12.760 2.932 -12.146 416 HB2 SER 65 1HB SER 65 13.320 4.298 -9.958 417 HB3 SER 65 2HB SER 65 11.947 3.404 -9.304 418 HG SER 65 HG SER 65 13.725 2.160 -8.929 419 H CYS 66 H CYS 66 11.775 1.016 -10.605 420 HA CYS 66 HA CYS 66 9.253 0.441 -11.783 421 HB2 CYS 66 1HB CYS 66 11.051 -1.234 -11.132 422 HB3 CYS 66 2HB CYS 66 10.510 -1.034 -9.470 423 HG CYS 66 HG CYS 66 9.548 -3.396 -11.009 424 H GLY 67 H GLY 67 10.086 0.507 -8.311 425 HA2 GLY 67 1HA GLY 67 8.510 2.334 -7.226 426 HA3 GLY 67 2HA GLY 67 7.304 1.148 -7.701 427 H VAL 68 H VAL 68 6.699 0.787 -5.547 428 HA VAL 68 HA VAL 68 8.711 -0.296 -3.729 429 HB VAL 68 HB VAL 68 5.776 0.222 -3.229 430 HG11 VAL 68 1HG1 VAL 68 7.276 0.304 -0.854 431 HG12 VAL 68 2HG1 VAL 68 6.087 -0.906 -1.341 432 HG13 VAL 68 3HG1 VAL 68 7.795 -1.143 -1.718 433 HG21 VAL 68 3HG2 VAL 68 7.011 2.097 -1.780 434 HG22 VAL 68 1HG2 VAL 68 8.172 1.956 -3.100 435 HG23 VAL 68 2HG2 VAL 68 6.492 2.367 -3.444 436 H SER 69 H SER 69 8.678 -2.365 -2.906 437 HA SER 69 HA SER 69 6.650 -4.223 -3.909 438 HB2 SER 69 1HB SER 69 9.572 -4.946 -4.057 439 HB3 SER 69 2HB SER 69 8.202 -5.757 -4.815 440 HG SER 69 HG SER 69 7.986 -3.552 -5.907 441 H TYR 70 H TYR 70 6.588 -6.251 -2.743 442 HA TYR 70 HA TYR 70 8.125 -6.487 -0.306 443 HB2 TYR 70 1HB TYR 70 6.295 -6.384 1.228 444 HB3 TYR 70 2HB TYR 70 6.228 -4.923 0.248 445 HD1 TYR 70 1HD TYR 70 4.627 -8.156 0.942 446 HD2 TYR 70 2HD TYR 70 4.405 -4.536 -1.283 447 HE1 TYR 70 1HE TYR 70 2.296 -8.669 0.352 448 HE2 TYR 70 2HE TYR 70 2.073 -5.039 -1.880 449 HH TYR 70 HH TYR 70 0.350 -6.412 -1.578 450 H ILE 71 H ILE 71 8.278 -8.564 0.384 451 HA ILE 71 HA ILE 71 6.600 -10.558 -0.994 452 HB ILE 71 HB ILE 71 9.545 -10.636 -0.386 453 HG12 ILE 71 1HG1 ILE 71 7.971 -11.239 -2.900 454 HG13 ILE 71 2HG1 ILE 71 8.773 -9.710 -2.559 455 HG21 ILE 71 1HG2 ILE 71 8.947 -13.079 -1.504 456 HG22 ILE 71 2HG2 ILE 71 9.319 -12.779 0.192 457 HG23 ILE 71 3HG2 ILE 71 7.641 -12.835 -0.345 458 HD11 ILE 71 3HD1 ILE 71 10.722 -10.486 -3.268 459 HD12 ILE 71 1HD1 ILE 71 10.581 -11.945 -2.287 460 HD13 ILE 71 2HD1 ILE 71 9.842 -11.883 -3.886 461 H ALA 72 H ALA 72 5.641 -12.080 0.230 462 HA ALA 72 HA ALA 72 6.252 -12.071 3.113 463 HB1 ALA 72 3HB ALA 72 3.648 -12.748 1.749 464 HB2 ALA 72 1HB ALA 72 3.942 -12.761 3.489 465 HB3 ALA 72 2HB ALA 72 4.014 -11.243 2.593 466 H GLN 73 H GLN 73 7.461 -13.779 3.620 467 HA GLN 73 HA GLN 73 7.781 -16.101 2.132 468 HB2 GLN 73 1HB GLN 73 8.088 -15.842 5.126 469 HB3 GLN 73 2HB GLN 73 8.840 -17.055 4.098 470 HG2 GLN 73 1HG GLN 73 9.358 -14.094 3.939 471 HG3 GLN 73 2HG GLN 73 10.384 -15.263 4.769 472 HE21 GLN 73 1HE2 GLN 73 9.068 -14.364 1.632 473 HE22 GLN 73 2HE2 GLN 73 10.350 -15.046 0.694 474 H GLU 74 H GLU 74 5.792 -15.640 5.055 475 HA GLU 74 HA GLU 74 4.382 -18.133 4.416 476 HB2 GLU 74 1HB GLU 74 4.490 -16.506 6.961 477 HB3 GLU 74 2HB GLU 74 3.488 -17.934 6.745 478 HG2 GLU 74 1HG GLU 74 6.475 -17.952 6.423 479 HG3 GLU 74 2HG GLU 74 5.655 -18.298 7.945 480 HA PRO 75 HA PRO 75 0.806 -15.956 3.066 481 HB2 PRO 75 1HB PRO 75 -1.073 -17.854 3.551 482 HB3 PRO 75 2HB PRO 75 0.084 -17.966 2.221 483 HG2 PRO 75 1HG PRO 75 0.159 -19.275 4.911 484 HG3 PRO 75 2HG PRO 75 0.538 -19.964 3.322 485 HD2 PRO 75 1HD PRO 75 2.456 -19.142 5.048 486 HD3 PRO 75 2HD PRO 75 2.650 -19.042 3.285 487 H GLY 76 H GLY 76 -1.004 -14.842 3.838 488 HA2 GLY 76 1HA GLY 76 -2.547 -15.079 5.997 489 HA3 GLY 76 2HA GLY 76 -1.054 -14.510 6.730 490 H ASN 77 H ASN 77 -2.955 -12.880 7.258 491 HA ASN 77 HA ASN 77 -3.320 -10.899 5.167 492 HB2 ASN 77 1HB ASN 77 -4.264 -10.802 8.039 493 HB3 ASN 77 2HB ASN 77 -4.833 -9.805 6.703 494 HD21 ASN 77 1HD2 ASN 77 -6.850 -10.369 6.316 495 HD22 ASN 77 2HD2 ASN 77 -7.432 -11.986 6.130 496 H TYR 78 H TYR 78 -1.685 -9.550 4.799 497 HA TYR 78 HA TYR 78 -0.076 -8.606 7.066 498 HB2 TYR 78 1HB TYR 78 0.451 -8.732 4.103 499 HB3 TYR 78 2HB TYR 78 1.452 -7.771 5.184 500 HD1 TYR 78 2HD TYR 78 0.210 -11.238 4.640 501 HD2 TYR 78 1HD TYR 78 3.235 -8.761 6.319 502 HE1 TYR 78 2HE TYR 78 1.544 -13.236 5.168 503 HE2 TYR 78 1HE TYR 78 4.578 -10.752 6.851 504 HH TYR 78 HH TYR 78 4.135 -13.677 5.524 505 H GLU 79 H GLU 79 -0.671 -6.723 7.894 506 HA GLU 79 HA GLU 79 -2.214 -4.830 6.338 507 HB2 GLU 79 1HB GLU 79 -2.417 -5.486 8.896 508 HB3 GLU 79 2HB GLU 79 -1.224 -4.209 9.083 509 HG2 GLU 79 1HG GLU 79 -2.922 -2.861 7.597 510 HG3 GLU 79 2HG GLU 79 -4.064 -4.046 8.230 511 H VAL 80 H VAL 80 -1.262 -3.387 5.075 512 HA VAL 80 HA VAL 80 1.496 -2.585 5.602 513 HB VAL 80 HB VAL 80 -0.250 -1.942 3.222 514 HG11 VAL 80 1HG1 VAL 80 1.850 -1.325 2.132 515 HG12 VAL 80 2HG1 VAL 80 1.557 -0.335 3.563 516 HG13 VAL 80 3HG1 VAL 80 2.725 -1.655 3.627 517 HG21 VAL 80 3HG2 VAL 80 0.221 -3.942 2.372 518 HG22 VAL 80 1HG2 VAL 80 1.941 -3.734 2.701 519 HG23 VAL 80 2HG2 VAL 80 0.879 -4.395 3.944 520 H SER 81 H SER 81 1.929 -0.775 6.659 521 HA SER 81 HA SER 81 -0.165 1.210 7.050 522 HB2 SER 81 1HB SER 81 1.344 2.174 8.727 523 HB3 SER 81 2HB SER 81 1.134 0.445 9.000 524 HG SER 81 HG SER 81 3.142 0.167 7.835 525 H ILE 82 H ILE 82 -0.356 2.849 5.689 526 HA ILE 82 HA ILE 82 2.078 3.902 4.400 527 HB ILE 82 HB ILE 82 -0.740 3.845 3.314 528 HG12 ILE 82 1HG1 ILE 82 1.778 2.507 2.301 529 HG13 ILE 82 2HG1 ILE 82 0.519 1.694 3.224 530 HG21 ILE 82 1HG2 ILE 82 1.743 4.913 1.983 531 HG22 ILE 82 2HG2 ILE 82 0.093 4.952 1.362 532 HG23 ILE 82 3HG2 ILE 82 0.529 5.920 2.770 533 HD11 ILE 82 3HD1 ILE 82 0.673 1.822 0.503 534 HD12 ILE 82 1HD1 ILE 82 -0.778 1.449 1.432 535 HD13 ILE 82 2HD1 ILE 82 -0.486 3.097 0.879 536 H LYS 83 H LYS 83 2.631 5.847 5.093 537 HA LYS 83 HA LYS 83 0.504 7.701 5.943 538 HB2 LYS 83 1HB LYS 83 3.120 7.017 7.203 539 HB3 LYS 83 2HB LYS 83 2.542 8.672 7.339 540 HG2 LYS 83 1HG LYS 83 0.322 7.436 8.095 541 HG3 LYS 83 2HG LYS 83 1.480 6.182 8.542 542 HD2 LYS 83 1HD LYS 83 2.068 8.984 9.344 543 HD3 LYS 83 2HD LYS 83 0.803 8.118 10.218 544 HE2 LYS 83 1HE LYS 83 2.672 7.602 11.466 545 HE3 LYS 83 2HE LYS 83 2.588 6.226 10.368 546 HZ1 LYS 83 3HZ LYS 83 4.829 7.385 10.695 547 HZ2 LYS 83 1HZ LYS 83 4.207 8.599 9.694 548 HZ3 LYS 83 2HZ LYS 83 4.351 7.018 9.114 549 H PHE 84 H PHE 84 0.408 9.560 4.867 550 HA PHE 84 HA PHE 84 2.672 10.277 3.135 551 HB2 PHE 84 1HB PHE 84 0.626 9.915 1.901 552 HB3 PHE 84 2HB PHE 84 -0.258 11.004 2.966 553 HD1 PHE 84 2HD PHE 84 2.130 10.770 0.210 554 HD2 PHE 84 1HD PHE 84 -0.038 13.397 2.762 555 HE1 PHE 84 2HE PHE 84 2.645 12.649 -1.292 556 HE2 PHE 84 1HE PHE 84 0.474 15.280 1.263 557 HZ PHE 84 HZ PHE 84 1.818 14.908 -0.767 558 H ASN 85 H ASN 85 3.961 11.744 4.032 559 HA ASN 85 HA ASN 85 4.698 13.640 5.051 560 HB2 ASN 85 1HB ASN 85 1.971 14.426 4.115 561 HB3 ASN 85 2HB ASN 85 2.827 15.508 5.212 562 HD21 ASN 85 1HD2 ASN 85 2.070 15.930 2.449 563 HD22 ASN 85 2HD2 ASN 85 3.532 16.243 1.585 564 H ASP 86 H ASP 86 3.874 11.553 6.703 565 HA ASP 86 HA ASP 86 3.529 11.114 8.910 566 HB2 ASP 86 1HB ASP 86 3.285 14.058 9.461 567 HB3 ASP 86 2HB ASP 86 3.936 12.791 10.497 568 H GLU 87 H GLU 87 1.330 11.161 7.149 569 HA GLU 87 HA GLU 87 -0.811 11.655 9.074 570 HB2 GLU 87 1HB GLU 87 -0.526 12.960 6.410 571 HB3 GLU 87 2HB GLU 87 -2.135 12.465 6.913 572 HG2 GLU 87 1HG GLU 87 -1.807 13.769 9.009 573 HG3 GLU 87 2HG GLU 87 -0.294 14.369 8.333 574 H HIS 88 H HIS 88 -2.430 10.173 9.007 575 HA HIS 88 HA HIS 88 -1.999 7.853 7.318 576 HB2 HIS 88 1HB HIS 88 -3.550 8.444 9.784 577 HB3 HIS 88 2HB HIS 88 -4.167 7.166 8.740 578 HD2 HIS 88 2HD HIS 88 -1.078 7.883 11.027 579 HE1 HIS 88 1HE HIS 88 -1.024 3.792 9.906 580 HE2 HIS 88 2HE HIS 88 -0.029 5.550 11.410 581 H ILE 89 H ILE 89 -2.836 7.851 5.341 582 HA ILE 89 HA ILE 89 -4.948 9.530 4.499 583 HB ILE 89 HB ILE 89 -4.966 7.784 2.521 584 HG12 ILE 89 1HG1 ILE 89 -2.163 7.314 3.451 585 HG13 ILE 89 2HG1 ILE 89 -3.450 6.301 4.096 586 HG21 ILE 89 1HG2 ILE 89 -2.410 9.274 2.696 587 HG22 ILE 89 2HG2 ILE 89 -3.610 9.229 1.405 588 HG23 ILE 89 3HG2 ILE 89 -3.904 10.197 2.850 589 HD11 ILE 89 3HD1 ILE 89 -2.149 5.510 2.025 590 HD12 ILE 89 1HD1 ILE 89 -3.906 5.355 2.036 591 HD13 ILE 89 2HD1 ILE 89 -3.142 6.675 1.148 592 HA PRO 90 HA PRO 90 -8.600 7.278 5.423 593 HB2 PRO 90 1HB PRO 90 -10.116 7.721 3.215 594 HB3 PRO 90 2HB PRO 90 -9.779 8.974 4.415 595 HG2 PRO 90 1HG PRO 90 -8.471 8.486 1.768 596 HG3 PRO 90 2HG PRO 90 -8.975 10.020 2.501 597 HD2 PRO 90 1HD PRO 90 -6.404 9.170 2.525 598 HD3 PRO 90 2HD PRO 90 -7.100 10.143 3.836 599 H GLU 91 H GLU 91 -6.444 6.198 3.182 600 HA GLU 91 HA GLU 91 -8.072 3.827 2.541 601 HB2 GLU 91 1HB GLU 91 -5.825 5.110 0.984 602 HB3 GLU 91 2HB GLU 91 -6.483 3.523 0.608 603 HG2 GLU 91 1HG GLU 91 -8.162 6.012 0.701 604 HG3 GLU 91 2HG GLU 91 -7.360 5.440 -0.761 605 H SER 92 H SER 92 -5.754 4.854 4.566 606 HA SER 92 HA SER 92 -4.469 2.204 4.659 607 HB2 SER 92 1HB SER 92 -2.367 3.098 4.961 608 HB3 SER 92 2HB SER 92 -3.070 4.337 3.921 609 HG SER 92 HG SER 92 -2.417 4.432 6.620 610 HA PRO 93 HA PRO 93 -2.701 1.518 6.110 611 HB2 PRO 93 1HB PRO 93 -2.988 -0.771 7.541 612 HB3 PRO 93 2HB PRO 93 -2.114 0.639 8.150 613 HG2 PRO 93 1HG PRO 93 -4.916 -0.246 8.722 614 HG3 PRO 93 2HG PRO 93 -3.689 0.376 9.841 615 HD2 PRO 93 1HD PRO 93 -5.697 1.917 8.879 616 HD3 PRO 93 2HD PRO 93 -4.091 2.570 9.261 617 H TYR 94 H TYR 94 -2.613 -0.555 4.931 618 HA TYR 94 HA TYR 94 -5.240 -1.188 3.773 619 HB2 TYR 94 1HB TYR 94 -2.449 -1.492 2.655 620 HB3 TYR 94 2HB TYR 94 -3.897 -2.092 1.853 621 HD1 TYR 94 2HD TYR 94 -2.467 1.055 3.262 622 HD2 TYR 94 1HD TYR 94 -4.992 -0.725 0.337 623 HE1 TYR 94 2HE TYR 94 -2.787 3.254 2.208 624 HE2 TYR 94 1HE TYR 94 -5.318 1.469 -0.726 625 HH TYR 94 HH TYR 94 -4.312 3.614 -0.866 626 H LEU 95 H LEU 95 -5.824 -3.351 3.364 627 HA LEU 95 HA LEU 95 -4.350 -5.325 4.980 628 HB2 LEU 95 1HB LEU 95 -6.577 -4.709 5.866 629 HB3 LEU 95 2HB LEU 95 -7.300 -5.278 4.363 630 HG LEU 95 HG LEU 95 -6.824 -7.526 4.861 631 HD11 LEU 95 1HD1 LEU 95 -4.656 -7.668 5.593 632 HD12 LEU 95 2HD1 LEU 95 -5.532 -7.973 7.094 633 HD13 LEU 95 3HD1 LEU 95 -4.853 -6.376 6.778 634 HD21 LEU 95 3HD2 LEU 95 -7.598 -7.661 7.363 635 HD22 LEU 95 1HD2 LEU 95 -8.694 -7.073 6.113 636 HD23 LEU 95 2HD2 LEU 95 -7.853 -5.927 7.157 637 H VAL 96 H VAL 96 -3.222 -6.581 3.642 638 HA VAL 96 HA VAL 96 -4.492 -7.463 1.135 639 HB VAL 96 HB VAL 96 -1.549 -7.682 1.694 640 HG11 VAL 96 1HG1 VAL 96 -3.188 -8.521 -0.388 641 HG12 VAL 96 2HG1 VAL 96 -2.382 -7.079 -1.008 642 HG13 VAL 96 3HG1 VAL 96 -1.428 -8.432 -0.397 643 HG21 VAL 96 3HG2 VAL 96 -2.104 -5.349 2.060 644 HG22 VAL 96 1HG2 VAL 96 -1.241 -5.532 0.533 645 HG23 VAL 96 2HG2 VAL 96 -2.989 -5.296 0.535 646 HA PRO 97 HA PRO 97 -4.651 -11.332 3.473 647 HB2 PRO 97 1HB PRO 97 -6.441 -12.511 1.806 648 HB3 PRO 97 2HB PRO 97 -6.913 -11.369 3.070 649 HG2 PRO 97 1HG PRO 97 -6.531 -10.899 0.139 650 HG3 PRO 97 2HG PRO 97 -7.817 -10.310 1.208 651 HD2 PRO 97 1HD PRO 97 -5.721 -8.765 0.462 652 HD3 PRO 97 2HD PRO 97 -6.514 -8.601 2.043 653 H VAL 98 H VAL 98 -2.473 -11.858 2.887 654 HA VAL 98 HA VAL 98 -1.884 -12.922 0.282 655 HB VAL 98 HB VAL 98 -0.218 -13.119 2.793 656 HG11 VAL 98 1HG1 VAL 98 0.191 -13.842 -0.036 657 HG12 VAL 98 2HG1 VAL 98 1.533 -13.012 0.753 658 HG13 VAL 98 3HG1 VAL 98 0.909 -14.518 1.425 659 HG21 VAL 98 3HG2 VAL 98 0.785 -11.154 1.029 660 HG22 VAL 98 1HG2 VAL 98 -0.932 -10.825 1.255 661 HG23 VAL 98 2HG2 VAL 98 0.137 -10.931 2.653 662 H ILE 99 H ILE 99 -1.639 -15.033 -0.321 663 HA ILE 99 HA ILE 99 -2.084 -17.123 1.681 664 HB ILE 99 HB ILE 99 -3.700 -18.283 0.268 665 HG12 ILE 99 1HG1 ILE 99 -4.023 -15.847 -1.440 666 HG13 ILE 99 2HG1 ILE 99 -2.756 -17.003 -1.832 667 HG21 ILE 99 1HG2 ILE 99 -4.162 -15.738 1.562 668 HG22 ILE 99 2HG2 ILE 99 -5.352 -16.053 0.300 669 HG23 ILE 99 3HG2 ILE 99 -5.123 -17.216 1.606 670 HD11 ILE 99 3HD1 ILE 99 -4.729 -17.478 -3.118 671 HD12 ILE 99 1HD1 ILE 99 -4.460 -18.775 -1.955 672 HD13 ILE 99 2HD1 ILE 99 -5.706 -17.563 -1.653 673 H ALA 100 H ALA 100 -1.531 -19.287 0.892 674 HA ALA 100 HA ALA 100 0.874 -19.207 -0.689 675 HB1 ALA 100 3HB ALA 100 0.533 -20.629 1.365 676 HB2 ALA 100 1HB ALA 100 -0.496 -21.664 0.376 677 HB3 ALA 100 2HB ALA 100 1.206 -21.458 -0.038 678 HA PRO 101 HA PRO 101 -1.360 -19.967 -4.489 679 HB2 PRO 101 1HB PRO 101 0.831 -19.893 -6.089 680 HB3 PRO 101 2HB PRO 101 0.054 -18.437 -5.457 681 HG2 PRO 101 1HG PRO 101 2.491 -19.866 -4.465 682 HG3 PRO 101 2HG PRO 101 2.214 -18.126 -4.654 683 HD2 PRO 101 1HD PRO 101 2.029 -19.379 -2.261 684 HD3 PRO 101 2HD PRO 101 1.032 -17.972 -2.681 685 H SER 102 H SER 102 -2.037 -21.946 -4.997 686 HA SER 102 HA SER 102 -0.375 -24.261 -4.561 687 HB2 SER 102 1HB SER 102 -2.841 -24.215 -4.083 688 HB3 SER 102 2HB SER 102 -3.123 -24.146 -5.823 689 HG SER 102 HG SER 102 -2.931 -26.227 -5.805 690 H ASP 103 H ASP 103 1.251 -23.469 -6.160 691 HA ASP 103 HA ASP 103 0.523 -23.749 -8.956 692 HB2 ASP 103 1HB ASP 103 2.258 -22.092 -7.832 693 HB3 ASP 103 2HB ASP 103 3.358 -23.447 -8.070 694 H ASP 104 H ASP 104 1.978 -25.091 -10.377 695 HA ASP 104 HA ASP 104 2.384 -27.713 -9.108 696 HB2 ASP 104 1HB ASP 104 0.744 -27.352 -11.088 697 HB3 ASP 104 2HB ASP 104 2.199 -27.277 -12.076 698 H ALA 105 H ALA 105 4.471 -27.648 -8.417 699 HA ALA 105 HA ALA 105 6.516 -27.519 -10.511 700 HB1 ALA 105 3HB ALA 105 6.797 -26.082 -7.875 701 HB2 ALA 105 1HB ALA 105 7.971 -26.124 -9.191 702 HB3 ALA 105 2HB ALA 105 6.425 -25.303 -9.414 Start of MODEL 6 1 H1 GLY 1 H GLY 1 11.684 30.249 -4.579 2 HA2 GLY 1 1HA GLY 1 13.264 29.596 -6.718 3 HA3 GLY 1 2HA GLY 1 12.862 28.046 -5.992 4 H SER 2 H SER 2 10.981 27.115 -6.517 5 HA SER 2 HA SER 2 8.995 28.763 -7.942 6 HB2 SER 2 1HB SER 2 8.462 26.799 -9.315 7 HB3 SER 2 2HB SER 2 10.164 27.228 -9.474 8 HG SER 2 HG SER 2 9.074 25.161 -7.861 9 H SER 3 H SER 3 9.484 25.880 -5.938 10 HA SER 3 HA SER 3 6.937 26.406 -4.620 11 HB2 SER 3 1HB SER 3 6.596 24.757 -6.552 12 HB3 SER 3 2HB SER 3 7.548 23.619 -5.600 13 HG SER 3 HG SER 3 4.964 24.230 -5.360 14 H GLY 4 H GLY 4 6.749 25.447 -2.547 15 HA2 GLY 4 1HA GLY 4 8.838 23.805 -1.471 16 HA3 GLY 4 2HA GLY 4 8.973 25.477 -0.946 17 H SER 5 H SER 5 7.025 26.425 0.086 18 HA SER 5 HA SER 5 5.746 24.401 1.788 19 HB2 SER 5 1HB SER 5 5.442 26.144 3.433 20 HB3 SER 5 2HB SER 5 7.119 26.181 2.892 21 HG SER 5 HG SER 5 6.497 27.898 1.465 22 H SER 6 H SER 6 4.712 24.745 -0.776 23 HA SER 6 HA SER 6 2.531 26.577 -0.816 24 HB2 SER 6 1HB SER 6 3.699 25.529 -2.832 25 HB3 SER 6 2HB SER 6 2.754 24.079 -2.496 26 HG SER 6 HG SER 6 1.908 25.815 -4.016 27 H GLY 7 H GLY 7 0.266 26.041 -0.822 28 HA2 GLY 7 1HA GLY 7 -0.339 23.976 1.163 29 HA3 GLY 7 2HA GLY 7 -1.403 25.286 0.672 30 H GLU 8 H GLU 8 -0.101 22.153 -0.256 31 HA GLU 8 HA GLU 8 -2.231 21.901 -2.268 32 HB2 GLU 8 1HB GLU 8 0.411 20.493 -1.933 33 HB3 GLU 8 2HB GLU 8 -0.847 19.874 -2.995 34 HG2 GLU 8 1HG GLU 8 0.725 22.410 -3.231 35 HG3 GLU 8 2HG GLU 8 0.565 21.092 -4.391 36 H GLY 9 H GLY 9 -3.900 21.397 -0.806 37 HA2 GLY 9 1HA GLY 9 -5.093 20.097 0.697 38 HA3 GLY 9 2HA GLY 9 -4.628 18.832 -0.431 39 H GLY 10 H GLY 10 -3.672 17.135 0.457 40 HA2 GLY 10 1HA GLY 10 -1.495 17.259 2.222 41 HA3 GLY 10 2HA GLY 10 -2.953 17.016 3.173 42 H ALA 11 H ALA 11 -3.249 14.963 3.688 43 HA ALA 11 HA ALA 11 -2.076 12.863 2.056 44 HB1 ALA 11 3HB ALA 11 -2.224 13.121 4.716 45 HB2 ALA 11 1HB ALA 11 -3.679 12.163 4.438 46 HB3 ALA 11 2HB ALA 11 -2.108 11.560 3.905 47 H HIS 12 H HIS 12 -5.289 13.613 3.410 48 HA HIS 12 HA HIS 12 -6.878 11.689 2.475 49 HB2 HIS 12 1HB HIS 12 -8.655 13.373 2.099 50 HB3 HIS 12 2HB HIS 12 -7.779 13.645 3.602 51 HD1 HIS 12 1HD HIS 12 -5.763 15.525 3.320 52 HD2 HIS 12 2HD HIS 12 -8.890 15.600 0.585 53 HE1 HIS 12 1HE HIS 12 -5.700 17.818 2.290 54 H LYS 13 H LYS 13 -5.405 14.182 0.469 55 HA LYS 13 HA LYS 13 -6.754 13.559 -1.930 56 HB2 LYS 13 1HB LYS 13 -4.072 14.853 -1.425 57 HB3 LYS 13 2HB LYS 13 -4.804 14.728 -3.018 58 HG2 LYS 13 1HG LYS 13 -6.395 15.957 -0.831 59 HG3 LYS 13 2HG LYS 13 -5.075 16.887 -1.543 60 HD2 LYS 13 1HD LYS 13 -6.784 17.513 -2.928 61 HD3 LYS 13 2HD LYS 13 -6.202 16.092 -3.798 62 HE2 LYS 13 1HE LYS 13 -8.012 14.820 -3.205 63 HE3 LYS 13 2HE LYS 13 -8.290 15.716 -1.713 64 HZ1 LYS 13 3HZ LYS 13 -9.632 16.013 -4.101 65 HZ2 LYS 13 1HZ LYS 13 -8.657 17.390 -3.973 66 HZ3 LYS 13 2HZ LYS 13 -9.748 17.009 -2.738 67 H VAL 14 H VAL 14 -3.450 12.704 -0.884 68 HA VAL 14 HA VAL 14 -2.623 11.129 -2.930 69 HB VAL 14 HB VAL 14 -2.255 10.508 0.004 70 HG11 VAL 14 1HG1 VAL 14 -0.714 8.931 -0.517 71 HG12 VAL 14 2HG1 VAL 14 -1.707 8.787 -1.969 72 HG13 VAL 14 3HG1 VAL 14 -0.224 9.742 -2.004 73 HG21 VAL 14 3HG2 VAL 14 -0.316 11.925 -1.800 74 HG22 VAL 14 1HG2 VAL 14 -1.553 12.796 -0.893 75 HG23 VAL 14 2HG2 VAL 14 -0.333 11.853 -0.037 76 H ARG 15 H ARG 15 -3.452 9.445 -3.960 77 HA ARG 15 HA ARG 15 -5.191 7.594 -2.462 78 HB2 ARG 15 1HB ARG 15 -6.210 9.096 -4.317 79 HB3 ARG 15 2HB ARG 15 -5.396 8.005 -5.429 80 HG2 ARG 15 1HG ARG 15 -6.667 6.152 -4.689 81 HG3 ARG 15 2HG ARG 15 -7.298 7.053 -3.308 82 HD2 ARG 15 1HD ARG 15 -8.970 6.859 -5.075 83 HD3 ARG 15 2HD ARG 15 -8.502 8.540 -4.822 84 HE ARG 15 HE ARG 15 -7.026 7.220 -6.908 85 HH11 ARG 15 1HH1 ARG 15 -9.907 9.009 -6.121 86 HH12 ARG 15 2HH1 ARG 15 -10.149 9.581 -7.739 87 HH21 ARG 15 1HH2 ARG 15 -7.334 7.968 -9.041 88 HH22 ARG 15 2HH2 ARG 15 -8.687 8.987 -9.399 89 H ALA 16 H ALA 16 -5.005 5.388 -2.885 90 HA ALA 16 HA ALA 16 -2.709 4.579 -4.542 91 HB1 ALA 16 3HB ALA 16 -2.853 2.700 -2.498 92 HB2 ALA 16 1HB ALA 16 -1.635 3.961 -2.697 93 HB3 ALA 16 2HB ALA 16 -3.056 4.255 -1.693 94 H GLY 17 H GLY 17 -2.767 2.283 -5.189 95 HA2 GLY 17 1HA GLY 17 -4.813 0.496 -4.899 96 HA3 GLY 17 2HA GLY 17 -5.390 1.598 -6.140 97 H GLY 18 H GLY 18 -3.710 -1.222 -5.575 98 HA2 GLY 18 1HA GLY 18 -2.711 -1.205 -8.343 99 HA3 GLY 18 2HA GLY 18 -1.633 -1.694 -7.043 100 HA PRO 19 HA PRO 19 -4.211 -5.302 -8.736 101 HB2 PRO 19 1HB PRO 19 -2.212 -6.605 -10.030 102 HB3 PRO 19 2HB PRO 19 -3.235 -5.395 -10.813 103 HG2 PRO 19 1HG PRO 19 -0.481 -5.098 -9.678 104 HG3 PRO 19 2HG PRO 19 -1.139 -4.464 -11.197 105 HD2 PRO 19 1HD PRO 19 -0.871 -2.939 -8.975 106 HD3 PRO 19 2HD PRO 19 -2.177 -2.690 -10.152 107 H GLY 20 H GLY 20 -1.766 -4.623 -6.622 108 HA2 GLY 20 1HA GLY 20 -1.462 -7.437 -5.790 109 HA3 GLY 20 2HA GLY 20 -0.328 -6.150 -5.404 110 H LEU 21 H LEU 21 -2.240 -4.200 -4.609 111 HA LEU 21 HA LEU 21 -2.487 -4.764 -1.898 112 HB2 LEU 21 1HB LEU 21 -4.088 -2.837 -3.575 113 HB3 LEU 21 2HB LEU 21 -4.020 -2.833 -1.814 114 HG LEU 21 HG LEU 21 -1.678 -2.321 -3.649 115 HD11 LEU 21 1HD1 LEU 21 -2.227 -0.170 -3.689 116 HD12 LEU 21 2HD1 LEU 21 -2.497 -0.139 -1.948 117 HD13 LEU 21 3HD1 LEU 21 -3.798 -0.630 -3.033 118 HD21 LEU 21 3HD2 LEU 21 -1.917 -2.862 -0.800 119 HD22 LEU 21 1HD2 LEU 21 -1.109 -1.332 -1.141 120 HD23 LEU 21 2HD2 LEU 21 -0.486 -2.830 -1.832 121 H GLU 22 H GLU 22 -4.683 -5.389 -4.550 122 HA GLU 22 HA GLU 22 -7.007 -5.923 -3.062 123 HB2 GLU 22 1HB GLU 22 -7.770 -7.155 -5.052 124 HB3 GLU 22 2HB GLU 22 -7.080 -5.592 -5.470 125 HG2 GLU 22 1HG GLU 22 -5.068 -6.603 -6.246 126 HG3 GLU 22 2HG GLU 22 -5.556 -8.179 -5.624 127 H ARG 23 H ARG 23 -4.244 -7.920 -3.914 128 HA ARG 23 HA ARG 23 -4.733 -9.734 -1.788 129 HB2 ARG 23 1HB ARG 23 -6.366 -10.359 -3.773 130 HB3 ARG 23 2HB ARG 23 -4.921 -11.121 -4.425 131 HG2 ARG 23 1HG ARG 23 -4.763 -12.229 -2.083 132 HG3 ARG 23 2HG ARG 23 -6.469 -11.796 -1.965 133 HD2 ARG 23 1HD ARG 23 -6.839 -12.970 -4.135 134 HD3 ARG 23 2HD ARG 23 -5.163 -13.517 -4.068 135 HE ARG 23 HE ARG 23 -6.129 -14.366 -1.712 136 HH11 ARG 23 1HH1 ARG 23 -7.333 -14.648 -4.967 137 HH12 ARG 23 2HH1 ARG 23 -8.133 -16.158 -4.680 138 HH21 ARG 23 1HH2 ARG 23 -7.178 -16.354 -1.322 139 HH22 ARG 23 2HH2 ARG 23 -8.045 -17.127 -2.606 140 H GLY 24 H GLY 24 -3.004 -11.174 -1.447 141 HA2 GLY 24 1HA GLY 24 -0.714 -10.811 -3.278 142 HA3 GLY 24 2HA GLY 24 -0.524 -10.704 -1.534 143 H GLU 25 H GLU 25 1.099 -12.430 -2.639 144 HA GLU 25 HA GLU 25 -0.100 -15.045 -2.024 145 HB2 GLU 25 1HB GLU 25 1.545 -14.242 -4.389 146 HB3 GLU 25 2HB GLU 25 1.691 -15.878 -3.763 147 HG2 GLU 25 1HG GLU 25 0.071 -16.172 -5.338 148 HG3 GLU 25 2HG GLU 25 -0.918 -15.849 -3.915 149 H ALA 26 H ALA 26 1.466 -16.676 -1.335 150 HA ALA 26 HA ALA 26 3.397 -15.527 0.477 151 HB1 ALA 26 3HB ALA 26 3.484 -17.603 1.509 152 HB2 ALA 26 1HB ALA 26 1.829 -17.535 0.903 153 HB3 ALA 26 2HB ALA 26 3.049 -18.467 0.034 154 H GLY 27 H GLY 27 5.463 -15.176 0.013 155 HA2 GLY 27 1HA GLY 27 7.573 -15.472 -0.865 156 HA3 GLY 27 2HA GLY 27 7.052 -17.046 -1.450 157 H VAL 28 H VAL 28 5.402 -14.072 -2.274 158 HA VAL 28 HA VAL 28 6.547 -14.210 -4.983 159 HB VAL 28 HB VAL 28 3.634 -13.725 -4.341 160 HG11 VAL 28 1HG1 VAL 28 5.018 -12.743 -6.458 161 HG12 VAL 28 2HG1 VAL 28 4.463 -14.291 -7.101 162 HG13 VAL 28 3HG1 VAL 28 3.296 -13.122 -6.480 163 HG21 VAL 28 3HG2 VAL 28 5.139 -16.136 -5.264 164 HG22 VAL 28 1HG2 VAL 28 3.851 -16.007 -4.067 165 HG23 VAL 28 2HG2 VAL 28 3.473 -15.890 -5.786 166 HA PRO 29 HA PRO 29 7.322 -9.917 -4.170 167 HB2 PRO 29 1HB PRO 29 8.227 -9.290 -6.652 168 HB3 PRO 29 2HB PRO 29 9.198 -10.178 -5.472 169 HG2 PRO 29 1HG PRO 29 7.609 -11.220 -7.784 170 HG3 PRO 29 2HG PRO 29 9.230 -11.687 -7.240 171 HD2 PRO 29 1HD PRO 29 7.026 -13.151 -6.670 172 HD3 PRO 29 2HD PRO 29 8.415 -13.051 -5.571 173 H ALA 30 H ALA 30 5.347 -8.947 -3.893 174 HA ALA 30 HA ALA 30 3.840 -8.259 -6.330 175 HB1 ALA 30 3HB ALA 30 2.678 -9.655 -4.586 176 HB2 ALA 30 1HB ALA 30 2.757 -8.251 -3.522 177 HB3 ALA 30 2HB ALA 30 1.856 -8.161 -5.036 178 H GLU 31 H GLU 31 4.441 -6.286 -6.975 179 HA GLU 31 HA GLU 31 4.742 -4.183 -4.935 180 HB2 GLU 31 1HB GLU 31 6.056 -2.971 -6.696 181 HB3 GLU 31 2HB GLU 31 6.797 -4.458 -6.122 182 HG2 GLU 31 1HG GLU 31 5.079 -4.546 -8.550 183 HG3 GLU 31 2HG GLU 31 6.712 -3.894 -8.671 184 H PHE 32 H PHE 32 3.811 -2.146 -5.297 185 HA PHE 32 HA PHE 32 1.826 -2.012 -7.463 186 HB2 PHE 32 1HB PHE 32 0.277 -0.878 -5.840 187 HB3 PHE 32 2HB PHE 32 0.560 -2.584 -5.508 188 HD1 PHE 32 1HD PHE 32 1.164 0.842 -4.383 189 HD2 PHE 32 2HD PHE 32 1.787 -3.287 -3.556 190 HE1 PHE 32 1HE PHE 32 1.848 1.408 -2.088 191 HE2 PHE 32 2HE PHE 32 2.471 -2.726 -1.260 192 HZ PHE 32 HZ PHE 32 2.500 -0.378 -0.523 193 H SER 33 H SER 33 1.364 0.053 -8.258 194 HA SER 33 HA SER 33 3.435 2.037 -7.662 195 HB2 SER 33 1HB SER 33 1.514 1.842 -9.994 196 HB3 SER 33 2HB SER 33 2.759 3.076 -9.805 197 HG SER 33 HG SER 33 4.229 1.157 -9.641 198 H ILE 34 H ILE 34 3.000 3.946 -6.739 199 HA ILE 34 HA ILE 34 0.184 4.552 -6.138 200 HB ILE 34 HB ILE 34 2.644 5.552 -4.703 201 HG12 ILE 34 1HG1 ILE 34 0.649 3.453 -3.830 202 HG13 ILE 34 2HG1 ILE 34 2.259 3.103 -4.449 203 HG21 ILE 34 1HG2 ILE 34 1.315 6.823 -3.410 204 HG22 ILE 34 2HG2 ILE 34 0.202 6.716 -4.773 205 HG23 ILE 34 3HG2 ILE 34 0.015 5.630 -3.396 206 HD11 ILE 34 3HD1 ILE 34 1.609 3.386 -1.827 207 HD12 ILE 34 1HD1 ILE 34 3.231 3.565 -2.496 208 HD13 ILE 34 2HD1 ILE 34 2.228 4.990 -2.222 209 H TRP 35 H TRP 35 -0.722 6.296 -7.008 210 HA TRP 35 HA TRP 35 0.956 8.132 -8.535 211 HB2 TRP 35 1HB TRP 35 -1.984 7.520 -8.500 212 HB3 TRP 35 2HB TRP 35 -1.389 9.001 -9.245 213 HD1 TRP 35 HD TRP 35 0.461 8.602 -11.303 214 HE1 TRP 35 1HE TRP 35 0.491 6.749 -13.089 215 HE3 TRP 35 3HE TRP 35 -2.561 5.192 -8.985 216 HZ2 TRP 35 2HZ TRP 35 -0.619 4.183 -13.466 217 HZ3 TRP 35 3HZ TRP 35 -3.028 3.062 -10.126 218 HH2 TRP 35 HH TRP 35 -2.076 2.570 -12.320 219 H THR 36 H THR 36 1.710 9.849 -7.493 220 HA THR 36 HA THR 36 0.057 11.080 -5.395 221 HB THR 36 HB THR 36 2.923 11.827 -5.802 222 HG1 THR 36 1HG THR 36 3.488 9.821 -5.446 223 HG21 THR 36 3HG2 THR 36 2.860 12.419 -3.553 224 HG22 THR 36 1HG2 THR 36 1.502 11.349 -3.207 225 HG23 THR 36 2HG2 THR 36 1.241 12.841 -4.110 226 H ARG 37 H ARG 37 -0.764 11.658 -7.929 227 HA ARG 37 HA ARG 37 0.458 14.056 -8.923 228 HB2 ARG 37 1HB ARG 37 -1.943 12.425 -9.632 229 HB3 ARG 37 2HB ARG 37 -1.843 14.078 -10.227 230 HG2 ARG 37 1HG ARG 37 0.431 12.175 -10.622 231 HG3 ARG 37 2HG ARG 37 -0.965 12.162 -11.703 232 HD2 ARG 37 1HD ARG 37 0.370 14.757 -11.102 233 HD3 ARG 37 2HD ARG 37 1.150 13.640 -12.222 234 HE ARG 37 HE ARG 37 -1.630 14.174 -12.785 235 HH11 ARG 37 1HH1 ARG 37 1.673 15.117 -13.345 236 HH12 ARG 37 2HH1 ARG 37 1.328 15.920 -14.841 237 HH21 ARG 37 1HH2 ARG 37 -2.099 15.228 -14.752 238 HH22 ARG 37 2HH2 ARG 37 -0.818 15.983 -15.640 239 H GLU 38 H GLU 38 -2.622 13.322 -7.294 240 HA GLU 38 HA GLU 38 -3.644 15.889 -7.139 241 HB2 GLU 38 1HB GLU 38 -3.902 13.568 -5.228 242 HB3 GLU 38 2HB GLU 38 -4.819 15.057 -5.055 243 HG2 GLU 38 1HG GLU 38 -4.904 13.601 -7.649 244 HG3 GLU 38 2HG GLU 38 -5.835 12.987 -6.284 245 H ALA 39 H ALA 39 -1.652 14.208 -4.708 246 HA ALA 39 HA ALA 39 -1.390 16.512 -3.048 247 HB1 ALA 39 3HB ALA 39 -0.264 13.769 -3.081 248 HB2 ALA 39 1HB ALA 39 0.598 14.999 -2.157 249 HB3 ALA 39 2HB ALA 39 -1.089 14.640 -1.790 250 H GLY 40 H GLY 40 0.191 18.030 -2.950 251 HA2 GLY 40 1HA GLY 40 1.671 18.688 -5.209 252 HA3 GLY 40 2HA GLY 40 1.993 19.297 -3.592 253 H ALA 41 H ALA 41 3.779 18.629 -2.542 254 HA ALA 41 HA ALA 41 5.201 16.265 -3.524 255 HB1 ALA 41 3HB ALA 41 6.868 17.405 -4.443 256 HB2 ALA 41 1HB ALA 41 5.989 18.902 -4.133 257 HB3 ALA 41 2HB ALA 41 7.132 18.287 -2.940 258 H GLY 42 H GLY 42 5.874 15.021 -1.898 259 HA2 GLY 42 1HA GLY 42 6.904 16.101 0.550 260 HA3 GLY 42 2HA GLY 42 5.298 15.416 0.751 261 H GLY 43 H GLY 43 6.694 14.082 2.286 262 HA2 GLY 43 1HA GLY 43 8.205 11.976 0.941 263 HA3 GLY 43 2HA GLY 43 8.104 12.237 2.677 264 H LEU 44 H LEU 44 7.890 9.723 2.032 265 HA LEU 44 HA LEU 44 5.096 9.113 2.563 266 HB2 LEU 44 1HB LEU 44 6.566 8.324 0.104 267 HB3 LEU 44 2HB LEU 44 5.471 7.147 0.828 268 HG LEU 44 HG LEU 44 4.608 9.925 0.049 269 HD11 LEU 44 1HD1 LEU 44 4.900 7.456 -1.585 270 HD12 LEU 44 2HD1 LEU 44 5.129 9.146 -2.035 271 HD13 LEU 44 3HD1 LEU 44 3.501 8.493 -1.861 272 HD21 LEU 44 3HD2 LEU 44 2.981 9.141 1.458 273 HD22 LEU 44 1HD2 LEU 44 3.272 7.454 1.036 274 HD23 LEU 44 2HD2 LEU 44 2.400 8.503 -0.081 275 H SER 45 H SER 45 4.810 7.313 3.809 276 HA SER 45 HA SER 45 7.197 5.699 4.412 277 HB2 SER 45 1HB SER 45 5.320 7.066 6.322 278 HB3 SER 45 2HB SER 45 6.187 5.610 6.808 279 HG SER 45 HG SER 45 7.572 7.169 7.348 280 H ILE 46 H ILE 46 6.881 3.540 4.601 281 HA ILE 46 HA ILE 46 4.127 2.528 4.664 282 HB ILE 46 HB ILE 46 6.234 1.530 2.743 283 HG12 ILE 46 1HG1 ILE 46 3.639 2.865 2.005 284 HG13 ILE 46 2HG1 ILE 46 5.103 3.802 2.280 285 HG21 ILE 46 1HG2 ILE 46 5.032 -0.346 2.791 286 HG22 ILE 46 2HG2 ILE 46 3.749 0.413 3.733 287 HG23 ILE 46 3HG2 ILE 46 3.759 0.564 1.977 288 HD11 ILE 46 3HD1 ILE 46 5.822 3.360 0.240 289 HD12 ILE 46 1HD1 ILE 46 5.652 1.626 0.502 290 HD13 ILE 46 2HD1 ILE 46 4.282 2.568 -0.084 291 H ALA 47 H ALA 47 3.840 0.717 5.857 292 HA ALA 47 HA ALA 47 6.200 -0.780 6.743 293 HB1 ALA 47 3HB ALA 47 4.613 -0.713 9.005 294 HB2 ALA 47 1HB ALA 47 6.112 0.182 8.750 295 HB3 ALA 47 2HB ALA 47 4.558 0.943 8.401 296 H VAL 48 H VAL 48 5.877 -2.849 6.296 297 HA VAL 48 HA VAL 48 3.135 -3.862 6.084 298 HB VAL 48 HB VAL 48 5.754 -5.045 5.151 299 HG11 VAL 48 1HG1 VAL 48 4.467 -6.817 4.137 300 HG12 VAL 48 2HG1 VAL 48 4.130 -6.771 5.869 301 HG13 VAL 48 3HG1 VAL 48 2.963 -6.107 4.725 302 HG21 VAL 48 3HG2 VAL 48 3.839 -4.637 3.082 303 HG22 VAL 48 1HG2 VAL 48 4.005 -3.141 4.000 304 HG23 VAL 48 2HG2 VAL 48 5.426 -3.895 3.279 305 H GLU 49 H GLU 49 2.384 -4.589 7.977 306 HA GLU 49 HA GLU 49 4.143 -6.316 9.591 307 HB2 GLU 49 1HB GLU 49 1.838 -4.581 10.493 308 HB3 GLU 49 2HB GLU 49 2.737 -5.677 11.532 309 HG2 GLU 49 1HG GLU 49 3.478 -3.380 11.809 310 HG3 GLU 49 2HG GLU 49 4.767 -4.397 11.166 311 H GLY 50 H GLY 50 3.233 -8.180 10.558 312 HA2 GLY 50 1HA GLY 50 0.549 -8.986 10.234 313 HA3 GLY 50 2HA GLY 50 1.508 -9.655 8.923 314 HA PRO 51 HA PRO 51 1.671 -12.701 12.373 315 HB2 PRO 51 1HB PRO 51 1.486 -14.871 10.752 316 HB3 PRO 51 2HB PRO 51 0.072 -13.990 11.343 317 HG2 PRO 51 1HG PRO 51 1.445 -13.807 8.689 318 HG3 PRO 51 2HG PRO 51 -0.291 -13.848 9.050 319 HD2 PRO 51 1HD PRO 51 1.028 -11.550 8.492 320 HD3 PRO 51 2HD PRO 51 -0.355 -11.611 9.602 321 H SER 52 H SER 52 3.498 -12.103 9.512 322 HA SER 52 HA SER 52 5.866 -13.231 10.777 323 HB2 SER 52 1HB SER 52 4.946 -14.041 8.009 324 HB3 SER 52 2HB SER 52 6.535 -14.403 8.682 325 HG SER 52 HG SER 52 4.948 -16.109 8.913 326 H LYS 53 H LYS 53 7.871 -12.627 9.560 327 HA LYS 53 HA LYS 53 7.818 -9.838 8.976 328 HB2 LYS 53 1HB LYS 53 9.913 -11.965 9.056 329 HB3 LYS 53 2HB LYS 53 10.283 -10.457 8.230 330 HG2 LYS 53 1HG LYS 53 9.999 -9.192 10.202 331 HG3 LYS 53 2HG LYS 53 9.252 -10.549 11.049 332 HD2 LYS 53 1HD LYS 53 11.462 -11.768 10.715 333 HD3 LYS 53 2HD LYS 53 12.132 -10.203 10.248 334 HE2 LYS 53 1HE LYS 53 12.570 -10.580 12.584 335 HE3 LYS 53 2HE LYS 53 11.382 -9.288 12.425 336 HZ1 LYS 53 3HZ LYS 53 9.790 -10.516 13.399 337 HZ2 LYS 53 1HZ LYS 53 11.094 -11.364 14.062 338 HZ3 LYS 53 2HZ LYS 53 10.301 -11.967 12.696 339 H ALA 54 H ALA 54 8.227 -8.774 7.035 340 HA ALA 54 HA ALA 54 8.150 -10.411 4.594 341 HB1 ALA 54 3HB ALA 54 5.994 -9.774 4.419 342 HB2 ALA 54 1HB ALA 54 6.205 -8.383 5.481 343 HB3 ALA 54 2HB ALA 54 6.705 -8.287 3.793 344 H GLU 55 H GLU 55 9.364 -9.672 2.905 345 HA GLU 55 HA GLU 55 11.367 -7.710 3.505 346 HB2 GLU 55 1HB GLU 55 11.544 -9.874 2.056 347 HB3 GLU 55 2HB GLU 55 10.931 -8.850 0.767 348 HG2 GLU 55 1HG GLU 55 12.850 -7.258 1.434 349 HG3 GLU 55 2HG GLU 55 13.522 -8.673 2.242 350 H ILE 56 H ILE 56 11.807 -5.803 2.283 351 HA ILE 56 HA ILE 56 9.625 -4.750 0.650 352 HB ILE 56 HB ILE 56 10.712 -3.327 3.082 353 HG12 ILE 56 1HG1 ILE 56 7.833 -3.970 2.480 354 HG13 ILE 56 2HG1 ILE 56 8.877 -5.132 3.292 355 HG21 ILE 56 1HG2 ILE 56 10.402 -1.500 1.803 356 HG22 ILE 56 2HG2 ILE 56 9.359 -2.347 0.661 357 HG23 ILE 56 3HG2 ILE 56 8.701 -1.759 2.189 358 HD11 ILE 56 3HD1 ILE 56 7.745 -4.018 5.002 359 HD12 ILE 56 1HD1 ILE 56 9.350 -3.288 4.972 360 HD13 ILE 56 2HD1 ILE 56 7.982 -2.440 4.250 361 H THR 57 H THR 57 10.328 -3.579 -1.033 362 HA THR 57 HA THR 57 13.128 -2.659 -1.007 363 HB THR 57 HB THR 57 11.661 -3.802 -3.392 364 HG1 THR 57 1HG THR 57 12.381 -5.320 -1.701 365 HG21 THR 57 3HG2 THR 57 13.710 -1.996 -3.405 366 HG22 THR 57 1HG2 THR 57 13.378 -3.152 -4.695 367 HG23 THR 57 2HG2 THR 57 14.580 -3.528 -3.461 368 H PHE 58 H PHE 58 13.231 -0.524 -1.143 369 HA PHE 58 HA PHE 58 11.034 0.932 -2.430 370 HB2 PHE 58 1HB PHE 58 11.856 1.413 -0.018 371 HB3 PHE 58 2HB PHE 58 13.214 2.212 -0.804 372 HD1 PHE 58 1HD PHE 58 9.495 2.170 -0.751 373 HD2 PHE 58 2HD PHE 58 13.039 4.432 -1.417 374 HE1 PHE 58 1HE PHE 58 8.142 4.211 -0.999 375 HE2 PHE 58 2HE PHE 58 11.692 6.476 -1.665 376 HZ PHE 58 HZ PHE 58 9.240 6.367 -1.456 377 H ASP 59 H ASP 59 11.314 1.823 -4.359 378 HA ASP 59 HA ASP 59 14.032 1.996 -5.445 379 HB2 ASP 59 1HB ASP 59 11.477 2.323 -7.011 380 HB3 ASP 59 2HB ASP 59 13.080 1.902 -7.611 381 H ASP 60 H ASP 60 14.844 3.919 -4.770 382 HA ASP 60 HA ASP 60 13.273 6.330 -4.788 383 HB2 ASP 60 1HB ASP 60 15.291 7.430 -4.010 384 HB3 ASP 60 2HB ASP 60 15.067 5.924 -3.121 385 H HIS 61 H HIS 61 12.697 7.110 -6.723 386 HA HIS 61 HA HIS 61 14.804 7.915 -8.557 387 HB2 HIS 61 1HB HIS 61 12.462 6.289 -9.560 388 HB3 HIS 61 2HB HIS 61 13.821 6.890 -10.504 389 HD1 HIS 61 1HD HIS 61 16.082 5.631 -10.260 390 HD2 HIS 61 2HD HIS 61 12.937 3.943 -8.133 391 HE1 HIS 61 1HE HIS 61 16.878 3.344 -9.582 392 H LYS 62 H LYS 62 14.355 9.792 -9.584 393 HA LYS 62 HA LYS 62 11.761 11.026 -8.989 394 HB2 LYS 62 1HB LYS 62 14.514 12.064 -9.441 395 HB3 LYS 62 2HB LYS 62 13.171 13.087 -9.933 396 HG2 LYS 62 1HG LYS 62 12.298 12.539 -7.513 397 HG3 LYS 62 2HG LYS 62 14.010 12.230 -7.214 398 HD2 LYS 62 1HD LYS 62 13.803 14.479 -6.689 399 HD3 LYS 62 2HD LYS 62 14.371 14.527 -8.359 400 HE2 LYS 62 1HE LYS 62 12.022 14.767 -9.103 401 HE3 LYS 62 2HE LYS 62 11.522 14.826 -7.413 402 HZ1 LYS 62 3HZ LYS 62 11.686 17.044 -8.145 403 HZ2 LYS 62 1HZ LYS 62 13.188 16.788 -8.880 404 HZ3 LYS 62 2HZ LYS 62 13.059 16.780 -7.194 405 H ASN 63 H ASN 63 14.126 11.013 -11.664 406 HA ASN 63 HA ASN 63 12.223 11.887 -13.588 407 HB2 ASN 63 1HB ASN 63 14.962 10.642 -13.882 408 HB3 ASN 63 2HB ASN 63 14.012 11.238 -15.241 409 HD21 ASN 63 1HD2 ASN 63 15.759 12.117 -12.357 410 HD22 ASN 63 2HD2 ASN 63 15.919 13.798 -12.728 411 H GLY 64 H GLY 64 13.302 8.761 -12.460 412 HA2 GLY 64 1HA GLY 64 12.112 7.293 -14.633 413 HA3 GLY 64 2HA GLY 64 12.781 6.614 -13.156 414 H SER 65 H SER 65 11.416 5.884 -11.645 415 HA SER 65 HA SER 65 8.758 6.940 -11.343 416 HB2 SER 65 1HB SER 65 9.245 4.369 -12.771 417 HB3 SER 65 2HB SER 65 7.889 4.437 -11.644 418 HG SER 65 HG SER 65 6.967 6.031 -12.842 419 H CYS 66 H CYS 66 7.798 6.348 -9.403 420 HA CYS 66 HA CYS 66 9.618 5.103 -7.491 421 HB2 CYS 66 1HB CYS 66 8.117 6.024 -5.775 422 HB3 CYS 66 2HB CYS 66 8.659 7.272 -6.889 423 HG CYS 66 HG CYS 66 5.561 6.094 -6.337 424 H GLY 67 H GLY 67 9.391 3.058 -6.885 425 HA2 GLY 67 1HA GLY 67 6.701 1.862 -6.932 426 HA3 GLY 67 2HA GLY 67 8.036 1.037 -7.723 427 H VAL 68 H VAL 68 6.397 0.059 -5.557 428 HA VAL 68 HA VAL 68 8.535 -0.433 -3.605 429 HB VAL 68 HB VAL 68 5.653 0.085 -2.859 430 HG11 VAL 68 1HG1 VAL 68 8.078 -0.676 -1.252 431 HG12 VAL 68 2HG1 VAL 68 6.649 0.060 -0.526 432 HG13 VAL 68 3HG1 VAL 68 6.521 -1.499 -1.342 433 HG21 VAL 68 3HG2 VAL 68 6.538 2.193 -3.345 434 HG22 VAL 68 1HG2 VAL 68 6.759 2.030 -1.602 435 HG23 VAL 68 2HG2 VAL 68 8.123 1.781 -2.692 436 H SER 69 H SER 69 8.924 -2.533 -3.450 437 HA SER 69 HA SER 69 6.755 -4.418 -4.101 438 HB2 SER 69 1HB SER 69 8.280 -5.845 -5.107 439 HB3 SER 69 2HB SER 69 8.972 -4.274 -5.508 440 HG SER 69 HG SER 69 10.616 -5.510 -4.698 441 H TYR 70 H TYR 70 6.467 -6.251 -2.818 442 HA TYR 70 HA TYR 70 8.065 -6.505 -0.390 443 HB2 TYR 70 1HB TYR 70 6.190 -6.424 1.098 444 HB3 TYR 70 2HB TYR 70 6.133 -4.971 0.107 445 HD1 TYR 70 2HD TYR 70 4.558 -4.979 -1.913 446 HD2 TYR 70 1HD TYR 70 4.344 -7.856 1.215 447 HE1 TYR 70 2HE TYR 70 2.249 -5.515 -2.571 448 HE2 TYR 70 1HE TYR 70 2.035 -8.400 0.565 449 HH TYR 70 HH TYR 70 0.099 -6.772 -0.884 450 H ILE 71 H ILE 71 8.248 -8.568 0.328 451 HA ILE 71 HA ILE 71 6.626 -10.615 -1.041 452 HB ILE 71 HB ILE 71 9.569 -10.627 -0.420 453 HG12 ILE 71 1HG1 ILE 71 8.132 -11.422 -2.951 454 HG13 ILE 71 2HG1 ILE 71 8.614 -9.761 -2.623 455 HG21 ILE 71 1HG2 ILE 71 9.398 -13.051 -1.302 456 HG22 ILE 71 2HG2 ILE 71 9.007 -12.726 0.386 457 HG23 ILE 71 3HG2 ILE 71 7.714 -12.943 -0.793 458 HD11 ILE 71 3HD1 ILE 71 10.745 -10.162 -3.136 459 HD12 ILE 71 1HD1 ILE 71 10.764 -11.704 -2.281 460 HD13 ILE 71 2HD1 ILE 71 10.122 -11.613 -3.921 461 H ALA 72 H ALA 72 5.520 -11.926 0.254 462 HA ALA 72 HA ALA 72 6.192 -11.949 3.117 463 HB1 ALA 72 3HB ALA 72 4.031 -11.535 3.409 464 HB2 ALA 72 1HB ALA 72 3.716 -11.729 1.684 465 HB3 ALA 72 2HB ALA 72 3.679 -13.134 2.751 466 H GLN 73 H GLN 73 7.628 -13.597 3.346 467 HA GLN 73 HA GLN 73 7.848 -15.951 1.990 468 HB2 GLN 73 1HB GLN 73 8.243 -15.585 4.965 469 HB3 GLN 73 2HB GLN 73 8.906 -16.896 3.997 470 HG2 GLN 73 1HG GLN 73 9.607 -13.978 3.878 471 HG3 GLN 73 2HG GLN 73 10.641 -15.327 4.345 472 HE21 GLN 73 1HE2 GLN 73 10.919 -13.259 2.247 473 HE22 GLN 73 2HE2 GLN 73 11.163 -14.133 0.777 474 H GLU 74 H GLU 74 5.849 -15.411 4.886 475 HA GLU 74 HA GLU 74 4.471 -17.948 4.326 476 HB2 GLU 74 1HB GLU 74 4.515 -16.288 6.854 477 HB3 GLU 74 2HB GLU 74 3.660 -17.810 6.651 478 HG2 GLU 74 1HG GLU 74 6.641 -17.459 6.437 479 HG3 GLU 74 2HG GLU 74 5.784 -18.060 7.854 480 HA PRO 75 HA PRO 75 0.863 -15.803 3.008 481 HB2 PRO 75 1HB PRO 75 -0.996 -17.709 3.537 482 HB3 PRO 75 2HB PRO 75 0.144 -17.825 2.190 483 HG2 PRO 75 1HG PRO 75 0.267 -19.110 4.891 484 HG3 PRO 75 2HG PRO 75 0.626 -19.810 3.301 485 HD2 PRO 75 1HD PRO 75 2.563 -18.961 4.992 486 HD3 PRO 75 2HD PRO 75 2.731 -18.874 3.226 487 H GLY 76 H GLY 76 -0.941 -14.693 3.798 488 HA2 GLY 76 1HA GLY 76 -2.432 -14.942 6.007 489 HA3 GLY 76 2HA GLY 76 -0.938 -14.305 6.677 490 H ASN 77 H ASN 77 -2.971 -12.765 7.174 491 HA ASN 77 HA ASN 77 -3.381 -10.828 5.051 492 HB2 ASN 77 1HB ASN 77 -4.415 -10.897 7.895 493 HB3 ASN 77 2HB ASN 77 -4.894 -9.725 6.670 494 HD21 ASN 77 1HD2 ASN 77 -7.041 -10.565 7.205 495 HD22 ASN 77 2HD2 ASN 77 -7.606 -11.972 6.379 496 H TYR 78 H TYR 78 -1.496 -9.728 4.729 497 HA TYR 78 HA TYR 78 -0.051 -8.613 6.990 498 HB2 TYR 78 1HB TYR 78 0.452 -8.651 4.018 499 HB3 TYR 78 2HB TYR 78 1.437 -7.695 5.120 500 HD1 TYR 78 2HD TYR 78 0.264 -11.181 4.523 501 HD2 TYR 78 1HD TYR 78 3.273 -8.665 6.172 502 HE1 TYR 78 2HE TYR 78 1.654 -13.156 4.982 503 HE2 TYR 78 1HE TYR 78 4.673 -10.635 6.634 504 HH TYR 78 HH TYR 78 3.464 -13.871 6.286 505 H GLU 79 H GLU 79 -0.648 -6.748 7.851 506 HA GLU 79 HA GLU 79 -2.275 -4.879 6.340 507 HB2 GLU 79 1HB GLU 79 -2.480 -5.603 8.875 508 HB3 GLU 79 2HB GLU 79 -1.316 -4.307 9.109 509 HG2 GLU 79 1HG GLU 79 -2.989 -2.903 7.706 510 HG3 GLU 79 2HG GLU 79 -4.138 -4.163 8.154 511 H VAL 80 H VAL 80 -1.345 -3.402 5.099 512 HA VAL 80 HA VAL 80 1.362 -2.480 5.725 513 HB VAL 80 HB VAL 80 -0.268 -1.929 3.243 514 HG11 VAL 80 1HG1 VAL 80 1.417 -0.646 2.566 515 HG12 VAL 80 2HG1 VAL 80 2.085 -0.765 4.195 516 HG13 VAL 80 3HG1 VAL 80 2.599 -1.898 2.945 517 HG21 VAL 80 3HG2 VAL 80 0.983 -3.698 2.167 518 HG22 VAL 80 1HG2 VAL 80 1.869 -4.018 3.657 519 HG23 VAL 80 2HG2 VAL 80 0.138 -4.344 3.573 520 H SER 81 H SER 81 1.395 -0.803 7.084 521 HA SER 81 HA SER 81 -0.718 1.185 7.051 522 HB2 SER 81 1HB SER 81 1.693 0.744 8.812 523 HB3 SER 81 2HB SER 81 0.682 2.182 8.948 524 HG SER 81 HG SER 81 -0.620 1.015 10.091 525 H ILE 82 H ILE 82 -0.642 2.817 5.669 526 HA ILE 82 HA ILE 82 1.984 3.839 4.821 527 HB ILE 82 HB ILE 82 -0.694 4.106 3.449 528 HG12 ILE 82 1HG1 ILE 82 1.761 2.544 2.621 529 HG13 ILE 82 2HG1 ILE 82 0.340 1.834 3.379 530 HG21 ILE 82 1HG2 ILE 82 0.168 5.702 2.167 531 HG22 ILE 82 2HG2 ILE 82 1.549 5.757 3.262 532 HG23 ILE 82 3HG2 ILE 82 1.601 4.730 1.829 533 HD11 ILE 82 3HD1 ILE 82 0.571 3.087 0.665 534 HD12 ILE 82 1HD1 ILE 82 0.115 1.435 1.080 535 HD13 ILE 82 2HD1 ILE 82 -0.983 2.769 1.436 536 H LYS 83 H LYS 83 2.539 5.909 5.189 537 HA LYS 83 HA LYS 83 0.482 7.746 6.208 538 HB2 LYS 83 1HB LYS 83 3.059 6.941 7.469 539 HB3 LYS 83 2HB LYS 83 2.552 8.617 7.634 540 HG2 LYS 83 1HG LYS 83 0.277 7.478 8.356 541 HG3 LYS 83 2HG LYS 83 1.364 6.149 8.770 542 HD2 LYS 83 1HD LYS 83 2.017 8.927 9.659 543 HD3 LYS 83 2HD LYS 83 0.806 7.992 10.538 544 HE2 LYS 83 1HE LYS 83 2.696 7.407 11.692 545 HE3 LYS 83 2HE LYS 83 2.665 6.135 10.472 546 HZ1 LYS 83 3HZ LYS 83 4.169 7.605 9.129 547 HZ2 LYS 83 1HZ LYS 83 4.855 6.960 10.535 548 HZ3 LYS 83 2HZ LYS 83 4.348 8.574 10.506 549 H PHE 84 H PHE 84 0.433 9.617 5.154 550 HA PHE 84 HA PHE 84 2.733 10.324 3.468 551 HB2 PHE 84 1HB PHE 84 0.842 10.143 2.087 552 HB3 PHE 84 2HB PHE 84 -0.208 10.912 3.271 553 HD1 PHE 84 2HD PHE 84 2.387 11.489 0.736 554 HD2 PHE 84 1HD PHE 84 -0.415 13.282 3.390 555 HE1 PHE 84 2HE PHE 84 2.699 13.648 -0.401 556 HE2 PHE 84 1HE PHE 84 -0.110 15.445 2.256 557 HZ PHE 84 HZ PHE 84 1.449 15.630 0.360 558 H ASN 85 H ASN 85 4.056 11.683 4.493 559 HA ASN 85 HA ASN 85 4.832 13.533 5.564 560 HB2 ASN 85 1HB ASN 85 2.069 14.614 4.962 561 HB3 ASN 85 2HB ASN 85 3.434 15.576 5.520 562 HD21 ASN 85 1HD2 ASN 85 3.633 16.861 3.758 563 HD22 ASN 85 2HD2 ASN 85 4.087 16.285 2.193 564 H ASP 86 H ASP 86 3.809 11.433 7.123 565 HA ASP 86 HA ASP 86 3.411 10.979 9.321 566 HB2 ASP 86 1HB ASP 86 4.785 13.121 9.621 567 HB3 ASP 86 2HB ASP 86 3.243 13.943 9.846 568 H GLU 87 H GLU 87 1.286 11.233 7.402 569 HA GLU 87 HA GLU 87 -0.925 11.699 9.270 570 HB2 GLU 87 1HB GLU 87 -0.493 13.013 6.631 571 HB3 GLU 87 2HB GLU 87 -2.135 12.553 7.058 572 HG2 GLU 87 1HG GLU 87 -1.813 13.823 9.205 573 HG3 GLU 87 2HG GLU 87 -0.312 14.440 8.518 574 H HIS 88 H HIS 88 -2.510 10.203 9.176 575 HA HIS 88 HA HIS 88 -2.089 7.923 7.433 576 HB2 HIS 88 1HB HIS 88 -3.645 8.464 9.906 577 HB3 HIS 88 2HB HIS 88 -4.265 7.215 8.830 578 HD2 HIS 88 2HD HIS 88 -1.148 7.870 11.107 579 HE1 HIS 88 1HE HIS 88 -1.172 3.788 9.954 580 HE2 HIS 88 2HE HIS 88 -0.130 5.518 11.458 581 H ILE 89 H ILE 89 -2.944 7.922 5.467 582 HA ILE 89 HA ILE 89 -5.045 9.649 4.660 583 HB ILE 89 HB ILE 89 -5.048 7.937 2.639 584 HG12 ILE 89 1HG1 ILE 89 -2.260 7.510 3.684 585 HG13 ILE 89 2HG1 ILE 89 -3.558 6.392 4.086 586 HG21 ILE 89 1HG2 ILE 89 -4.300 10.291 2.617 587 HG22 ILE 89 2HG2 ILE 89 -2.713 9.764 3.180 588 HG23 ILE 89 3HG2 ILE 89 -3.305 9.246 1.602 589 HD11 ILE 89 3HD1 ILE 89 -3.644 5.530 2.000 590 HD12 ILE 89 1HD1 ILE 89 -3.192 7.052 1.230 591 HD13 ILE 89 2HD1 ILE 89 -1.959 6.050 1.998 592 HA PRO 90 HA PRO 90 -8.696 7.361 5.490 593 HB2 PRO 90 1HB PRO 90 -10.192 7.837 3.275 594 HB3 PRO 90 2HB PRO 90 -9.874 9.069 4.502 595 HG2 PRO 90 1HG PRO 90 -8.535 8.638 1.859 596 HG3 PRO 90 2HG PRO 90 -9.056 10.155 2.616 597 HD2 PRO 90 1HD PRO 90 -6.480 9.318 2.651 598 HD3 PRO 90 2HD PRO 90 -7.195 10.262 3.974 599 H GLU 91 H GLU 91 -6.521 6.349 3.222 600 HA GLU 91 HA GLU 91 -8.139 4.004 2.478 601 HB2 GLU 91 1HB GLU 91 -5.739 5.213 1.096 602 HB3 GLU 91 2HB GLU 91 -6.512 3.710 0.614 603 HG2 GLU 91 1HG GLU 91 -8.030 6.289 0.771 604 HG3 GLU 91 2HG GLU 91 -7.124 5.819 -0.668 605 H SER 92 H SER 92 -5.623 5.051 4.427 606 HA SER 92 HA SER 92 -4.509 2.329 4.612 607 HB2 SER 92 1HB SER 92 -2.404 3.178 5.005 608 HB3 SER 92 2HB SER 92 -3.047 4.451 3.969 609 HG SER 92 HG SER 92 -2.113 4.710 6.402 610 HA PRO 93 HA PRO 93 -2.802 1.593 6.117 611 HB2 PRO 93 1HB PRO 93 -3.173 -0.718 7.493 612 HB3 PRO 93 2HB PRO 93 -2.304 0.670 8.161 613 HG2 PRO 93 1HG PRO 93 -5.137 -0.186 8.612 614 HG3 PRO 93 2HG PRO 93 -3.944 0.399 9.787 615 HD2 PRO 93 1HD PRO 93 -5.893 1.984 8.779 616 HD3 PRO 93 2HD PRO 93 -4.295 2.609 9.233 617 H TYR 94 H TYR 94 -2.733 -0.658 5.096 618 HA TYR 94 HA TYR 94 -5.318 -1.184 3.783 619 HB2 TYR 94 1HB TYR 94 -2.504 -1.473 2.716 620 HB3 TYR 94 2HB TYR 94 -3.937 -2.054 1.876 621 HD1 TYR 94 2HD TYR 94 -2.545 1.068 3.379 622 HD2 TYR 94 1HD TYR 94 -4.981 -0.660 0.349 623 HE1 TYR 94 2HE TYR 94 -2.838 3.286 2.359 624 HE2 TYR 94 1HE TYR 94 -5.279 1.553 -0.681 625 HH TYR 94 HH TYR 94 -4.765 3.708 -0.598 626 H LEU 95 H LEU 95 -5.888 -3.342 3.331 627 HA LEU 95 HA LEU 95 -4.434 -5.339 4.938 628 HB2 LEU 95 1HB LEU 95 -6.664 -4.741 5.821 629 HB3 LEU 95 2HB LEU 95 -7.380 -5.272 4.301 630 HG LEU 95 HG LEU 95 -6.885 -7.538 4.747 631 HD11 LEU 95 1HD1 LEU 95 -4.934 -6.398 6.657 632 HD12 LEU 95 2HD1 LEU 95 -4.792 -7.785 5.578 633 HD13 LEU 95 3HD1 LEU 95 -5.686 -7.934 7.090 634 HD21 LEU 95 3HD2 LEU 95 -8.820 -6.938 5.931 635 HD22 LEU 95 1HD2 LEU 95 -7.902 -6.074 7.164 636 HD23 LEU 95 2HD2 LEU 95 -7.839 -7.835 7.091 637 H VAL 96 H VAL 96 -3.381 -6.725 3.689 638 HA VAL 96 HA VAL 96 -4.615 -7.539 1.138 639 HB VAL 96 HB VAL 96 -1.662 -7.669 1.702 640 HG11 VAL 96 1HG1 VAL 96 -3.207 -8.723 -0.316 641 HG12 VAL 96 2HG1 VAL 96 -2.581 -7.234 -1.026 642 HG13 VAL 96 3HG1 VAL 96 -1.468 -8.443 -0.384 643 HG21 VAL 96 3HG2 VAL 96 -3.287 -5.368 0.663 644 HG22 VAL 96 1HG2 VAL 96 -2.061 -5.374 1.930 645 HG23 VAL 96 2HG2 VAL 96 -1.585 -5.567 0.244 646 HA PRO 97 HA PRO 97 -4.703 -11.417 3.464 647 HB2 PRO 97 1HB PRO 97 -6.485 -12.617 1.805 648 HB3 PRO 97 2HB PRO 97 -6.966 -11.485 3.074 649 HG2 PRO 97 1HG PRO 97 -6.608 -11.001 0.142 650 HG3 PRO 97 2HG PRO 97 -7.896 -10.434 1.220 651 HD2 PRO 97 1HD PRO 97 -5.828 -8.858 0.467 652 HD3 PRO 97 2HD PRO 97 -6.612 -8.710 2.052 653 H VAL 98 H VAL 98 -2.523 -11.915 2.867 654 HA VAL 98 HA VAL 98 -1.912 -12.940 0.257 655 HB VAL 98 HB VAL 98 -0.279 -13.182 2.786 656 HG11 VAL 98 1HG1 VAL 98 1.143 -12.971 0.268 657 HG12 VAL 98 2HG1 VAL 98 1.308 -14.158 1.562 658 HG13 VAL 98 3HG1 VAL 98 0.079 -14.376 0.315 659 HG21 VAL 98 3HG2 VAL 98 0.585 -11.099 2.465 660 HG22 VAL 98 1HG2 VAL 98 0.325 -11.139 0.722 661 HG23 VAL 98 2HG2 VAL 98 -1.029 -10.828 1.809 662 H ILE 99 H ILE 99 -1.936 -14.992 -0.444 663 HA ILE 99 HA ILE 99 -2.386 -17.132 1.529 664 HB ILE 99 HB ILE 99 -3.897 -18.256 -0.018 665 HG12 ILE 99 1HG1 ILE 99 -4.093 -15.819 -1.732 666 HG13 ILE 99 2HG1 ILE 99 -2.759 -16.932 -2.014 667 HG21 ILE 99 1HG2 ILE 99 -5.719 -16.388 -0.037 668 HG22 ILE 99 2HG2 ILE 99 -5.125 -17.031 1.493 669 HG23 ILE 99 3HG2 ILE 99 -4.523 -15.485 0.893 670 HD11 ILE 99 3HD1 ILE 99 -5.001 -17.181 -3.314 671 HD12 ILE 99 1HD1 ILE 99 -4.137 -18.608 -2.742 672 HD13 ILE 99 2HD1 ILE 99 -5.530 -18.002 -1.846 673 H ALA 100 H ALA 100 -1.743 -19.272 0.811 674 HA ALA 100 HA ALA 100 0.737 -19.176 -0.667 675 HB1 ALA 100 3HB ALA 100 -0.629 -21.571 0.550 676 HB2 ALA 100 1HB ALA 100 1.056 -21.447 0.045 677 HB3 ALA 100 2HB ALA 100 0.475 -20.500 1.416 678 HA PRO 101 HA PRO 101 -1.355 -20.182 -4.492 679 HB2 PRO 101 1HB PRO 101 0.881 -20.100 -6.029 680 HB3 PRO 101 2HB PRO 101 0.035 -18.646 -5.487 681 HG2 PRO 101 1HG PRO 101 2.488 -19.941 -4.361 682 HG3 PRO 101 2HG PRO 101 2.158 -18.221 -4.637 683 HD2 PRO 101 1HD PRO 101 1.942 -19.372 -2.196 684 HD3 PRO 101 2HD PRO 101 0.910 -18.023 -2.708 685 H SER 102 H SER 102 -1.869 -22.149 -5.206 686 HA SER 102 HA SER 102 -0.290 -24.435 -4.439 687 HB2 SER 102 1HB SER 102 -2.826 -24.360 -4.442 688 HB3 SER 102 2HB SER 102 -2.745 -24.426 -6.203 689 HG SER 102 HG SER 102 -1.284 -26.367 -5.633 690 H ASP 103 H ASP 103 1.348 -25.188 -5.587 691 HA ASP 103 HA ASP 103 2.017 -24.277 -8.167 692 HB2 ASP 103 1HB ASP 103 3.035 -26.882 -7.077 693 HB3 ASP 103 2HB ASP 103 3.887 -25.668 -8.029 694 H ASP 104 H ASP 104 0.690 -27.390 -7.070 695 HA ASP 104 HA ASP 104 0.377 -28.379 -9.743 696 HB2 ASP 104 1HB ASP 104 0.681 -29.713 -7.524 697 HB3 ASP 104 2HB ASP 104 -1.063 -29.516 -7.367 698 H ALA 105 H ALA 105 -1.980 -27.539 -7.197 699 HA ALA 105 HA ALA 105 -4.105 -27.396 -9.168 700 HB1 ALA 105 3HB ALA 105 -4.697 -26.505 -6.437 701 HB2 ALA 105 1HB ALA 105 -5.525 -27.685 -7.454 702 HB3 ALA 105 2HB ALA 105 -4.079 -28.153 -6.559 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -3.987 35.782 -10.703 2 HA2 GLY 1 1HA GLY 1 -5.710 34.915 -8.470 3 HA3 GLY 1 2HA GLY 1 -5.678 34.021 -9.983 4 H SER 2 H SER 2 -3.398 35.286 -7.551 5 HA SER 2 HA SER 2 -1.353 33.436 -8.127 6 HB2 SER 2 1HB SER 2 -1.271 35.652 -6.765 7 HB3 SER 2 2HB SER 2 -1.718 34.635 -5.395 8 HG SER 2 HG SER 2 0.140 33.378 -5.816 9 H SER 3 H SER 3 -1.553 31.306 -7.959 10 HA SER 3 HA SER 3 -3.452 29.848 -6.649 11 HB2 SER 3 1HB SER 3 -0.559 29.050 -7.063 12 HB3 SER 3 2HB SER 3 -1.889 27.941 -6.730 13 HG SER 3 HG SER 3 -2.817 29.105 -8.720 14 H GLY 4 H GLY 4 -0.300 30.853 -5.351 15 HA2 GLY 4 1HA GLY 4 -0.709 31.583 -2.891 16 HA3 GLY 4 2HA GLY 4 -1.122 29.886 -2.702 17 H SER 5 H SER 5 0.998 31.369 -1.395 18 HA SER 5 HA SER 5 3.520 30.943 -2.497 19 HB2 SER 5 1HB SER 5 2.495 31.251 0.298 20 HB3 SER 5 2HB SER 5 4.176 30.780 0.050 21 HG SER 5 HG SER 5 3.778 33.093 0.183 22 H SER 6 H SER 6 1.738 28.879 -0.202 23 HA SER 6 HA SER 6 2.860 26.506 -1.408 24 HB2 SER 6 1HB SER 6 3.682 27.458 1.318 25 HB3 SER 6 2HB SER 6 3.598 25.730 0.977 26 HG SER 6 HG SER 6 5.214 25.910 -0.446 27 H GLY 7 H GLY 7 1.717 24.626 -0.909 28 HA2 GLY 7 1HA GLY 7 0.141 23.516 0.640 29 HA3 GLY 7 2HA GLY 7 -0.708 25.053 0.727 30 H GLU 8 H GLU 8 -0.578 22.057 -0.773 31 HA GLU 8 HA GLU 8 -2.465 22.972 -2.839 32 HB2 GLU 8 1HB GLU 8 -1.596 21.222 -4.339 33 HB3 GLU 8 2HB GLU 8 -0.367 22.410 -3.926 34 HG2 GLU 8 1HG GLU 8 -0.632 19.787 -2.492 35 HG3 GLU 8 2HG GLU 8 0.354 19.993 -3.939 36 H GLY 9 H GLY 9 -1.553 20.567 -0.491 37 HA2 GLY 9 1HA GLY 9 -4.161 19.728 0.026 38 HA3 GLY 9 2HA GLY 9 -3.482 18.602 -1.140 39 H GLY 10 H GLY 10 -3.979 17.147 0.764 40 HA2 GLY 10 1HA GLY 10 -1.514 16.874 2.334 41 HA3 GLY 10 2HA GLY 10 -3.049 16.912 3.188 42 H ALA 11 H ALA 11 -3.087 14.864 3.979 43 HA ALA 11 HA ALA 11 -2.371 12.575 2.437 44 HB1 ALA 11 3HB ALA 11 -2.697 13.065 5.103 45 HB2 ALA 11 1HB ALA 11 -4.120 12.092 4.730 46 HB3 ALA 11 2HB ALA 11 -2.507 11.469 4.378 47 H HIS 12 H HIS 12 -5.531 13.492 3.826 48 HA HIS 12 HA HIS 12 -7.216 11.744 2.727 49 HB2 HIS 12 1HB HIS 12 -8.944 13.431 2.686 50 HB3 HIS 12 2HB HIS 12 -7.892 13.736 4.065 51 HD1 HIS 12 1HD HIS 12 -6.022 15.675 3.609 52 HD2 HIS 12 2HD HIS 12 -9.317 15.584 1.077 53 HE1 HIS 12 1HE HIS 12 -6.096 17.941 2.519 54 H LYS 13 H LYS 13 -5.729 14.417 0.959 55 HA LYS 13 HA LYS 13 -7.108 14.085 -1.464 56 HB2 LYS 13 1HB LYS 13 -4.492 15.320 -0.692 57 HB3 LYS 13 2HB LYS 13 -4.886 15.130 -2.395 58 HG2 LYS 13 1HG LYS 13 -6.864 16.420 -0.577 59 HG3 LYS 13 2HG LYS 13 -5.465 17.339 -1.137 60 HD2 LYS 13 1HD LYS 13 -6.963 17.833 -2.797 61 HD3 LYS 13 2HD LYS 13 -6.208 16.391 -3.483 62 HE2 LYS 13 1HE LYS 13 -8.045 15.068 -3.066 63 HE3 LYS 13 2HE LYS 13 -8.608 16.084 -1.739 64 HZ1 LYS 13 3HZ LYS 13 -10.033 16.933 -3.195 65 HZ2 LYS 13 1HZ LYS 13 -9.261 16.206 -4.514 66 HZ3 LYS 13 2HZ LYS 13 -8.723 17.702 -3.938 67 H VAL 14 H VAL 14 -3.925 12.845 -0.453 68 HA VAL 14 HA VAL 14 -3.167 11.485 -2.702 69 HB VAL 14 HB VAL 14 -2.834 10.576 0.159 70 HG11 VAL 14 1HG1 VAL 14 -2.072 8.680 -0.745 71 HG12 VAL 14 2HG1 VAL 14 -2.032 9.368 -2.370 72 HG13 VAL 14 3HG1 VAL 14 -0.683 9.633 -1.265 73 HG21 VAL 14 3HG2 VAL 14 -0.634 11.622 -0.004 74 HG22 VAL 14 1HG2 VAL 14 -0.995 12.142 -1.650 75 HG23 VAL 14 2HG2 VAL 14 -1.915 12.798 -0.295 76 H ARG 15 H ARG 15 -3.607 9.545 -3.658 77 HA ARG 15 HA ARG 15 -5.558 7.761 -2.416 78 HB2 ARG 15 1HB ARG 15 -5.904 9.131 -5.075 79 HB3 ARG 15 2HB ARG 15 -6.729 7.626 -4.691 80 HG2 ARG 15 1HG ARG 15 -7.846 8.682 -2.819 81 HG3 ARG 15 2HG ARG 15 -6.973 10.185 -3.124 82 HD2 ARG 15 1HD ARG 15 -8.914 8.847 -5.006 83 HD3 ARG 15 2HD ARG 15 -9.245 10.271 -4.022 84 HE ARG 15 HE ARG 15 -6.992 10.773 -5.615 85 HH11 ARG 15 1HH1 ARG 15 -10.428 10.298 -5.915 86 HH12 ARG 15 2HH1 ARG 15 -10.570 11.275 -7.339 87 HH21 ARG 15 1HH2 ARG 15 -7.167 12.062 -7.489 88 HH22 ARG 15 2HH2 ARG 15 -8.714 12.277 -8.234 89 H ALA 16 H ALA 16 -4.924 5.717 -2.603 90 HA ALA 16 HA ALA 16 -2.843 5.071 -4.568 91 HB1 ALA 16 3HB ALA 16 -3.427 2.975 -2.657 92 HB2 ALA 16 1HB ALA 16 -1.906 3.798 -3.001 93 HB3 ALA 16 2HB ALA 16 -3.054 4.506 -1.863 94 H GLY 17 H GLY 17 -3.079 3.469 -6.072 95 HA2 GLY 17 1HA GLY 17 -5.382 1.713 -6.023 96 HA3 GLY 17 2HA GLY 17 -5.417 2.924 -7.296 97 H GLY 18 H GLY 18 -5.161 -0.081 -7.303 98 HA2 GLY 18 1HA GLY 18 -3.999 -0.768 -9.511 99 HA3 GLY 18 2HA GLY 18 -2.544 -0.348 -8.618 100 HA PRO 19 HA PRO 19 -3.639 -4.869 -7.991 101 HB2 PRO 19 1HB PRO 19 -1.315 -5.869 -8.975 102 HB3 PRO 19 2HB PRO 19 -2.728 -5.550 -9.987 103 HG2 PRO 19 1HG PRO 19 -0.272 -3.887 -9.585 104 HG3 PRO 19 2HG PRO 19 -1.141 -4.253 -11.087 105 HD2 PRO 19 1HD PRO 19 -1.435 -1.906 -9.769 106 HD3 PRO 19 2HD PRO 19 -2.755 -2.655 -10.690 107 H GLY 20 H GLY 20 -2.091 -6.526 -6.880 108 HA2 GLY 20 1HA GLY 20 -0.553 -7.033 -5.216 109 HA3 GLY 20 2HA GLY 20 -0.007 -5.364 -5.253 110 H LEU 21 H LEU 21 -2.489 -4.105 -4.780 111 HA LEU 21 HA LEU 21 -2.637 -4.443 -1.925 112 HB2 LEU 21 1HB LEU 21 -4.107 -2.618 -3.817 113 HB3 LEU 21 2HB LEU 21 -4.280 -2.576 -2.064 114 HG LEU 21 HG LEU 21 -1.751 -1.991 -3.604 115 HD11 LEU 21 1HD1 LEU 21 -2.093 0.296 -3.007 116 HD12 LEU 21 2HD1 LEU 21 -3.509 -0.111 -2.040 117 HD13 LEU 21 3HD1 LEU 21 -3.559 -0.285 -3.794 118 HD21 LEU 21 3HD2 LEU 21 -0.967 -2.796 -1.592 119 HD22 LEU 21 1HD2 LEU 21 -2.377 -2.232 -0.694 120 HD23 LEU 21 2HD2 LEU 21 -1.157 -1.078 -1.235 121 H GLU 22 H GLU 22 -4.432 -5.492 -4.678 122 HA GLU 22 HA GLU 22 -6.914 -5.965 -3.369 123 HB2 GLU 22 1HB GLU 22 -5.741 -7.129 -5.900 124 HB3 GLU 22 2HB GLU 22 -7.390 -7.409 -5.357 125 HG2 GLU 22 1HG GLU 22 -6.455 -4.604 -5.650 126 HG3 GLU 22 2HG GLU 22 -6.814 -5.534 -7.105 127 H ARG 23 H ARG 23 -4.312 -8.178 -4.398 128 HA ARG 23 HA ARG 23 -4.690 -9.794 -2.039 129 HB2 ARG 23 1HB ARG 23 -6.367 -10.494 -3.960 130 HB3 ARG 23 2HB ARG 23 -4.944 -11.300 -4.606 131 HG2 ARG 23 1HG ARG 23 -4.724 -12.359 -2.284 132 HG3 ARG 23 2HG ARG 23 -6.385 -11.817 -2.034 133 HD2 ARG 23 1HD ARG 23 -6.442 -14.079 -2.817 134 HD3 ARG 23 2HD ARG 23 -7.025 -13.032 -4.110 135 HE ARG 23 HE ARG 23 -4.263 -13.446 -4.427 136 HH11 ARG 23 1HH1 ARG 23 -7.286 -15.156 -4.672 137 HH12 ARG 23 2HH1 ARG 23 -6.712 -16.262 -5.877 138 HH21 ARG 23 1HH2 ARG 23 -3.496 -14.896 -6.013 139 HH22 ARG 23 2HH2 ARG 23 -4.556 -16.113 -6.639 140 H GLY 24 H GLY 24 -2.936 -11.126 -1.594 141 HA2 GLY 24 1HA GLY 24 -0.683 -10.910 -3.495 142 HA3 GLY 24 2HA GLY 24 -0.472 -10.738 -1.759 143 H GLU 25 H GLU 25 1.088 -12.538 -2.960 144 HA GLU 25 HA GLU 25 -0.065 -15.092 -2.076 145 HB2 GLU 25 1HB GLU 25 1.179 -14.431 -4.696 146 HB3 GLU 25 2HB GLU 25 1.557 -15.999 -3.996 147 HG2 GLU 25 1HG GLU 25 -0.270 -16.420 -5.360 148 HG3 GLU 25 2HG GLU 25 -0.970 -16.291 -3.747 149 H ALA 26 H ALA 26 1.135 -16.045 -0.576 150 HA ALA 26 HA ALA 26 3.456 -14.999 0.501 151 HB1 ALA 26 3HB ALA 26 2.899 -17.940 0.609 152 HB2 ALA 26 1HB ALA 26 3.562 -16.885 1.857 153 HB3 ALA 26 2HB ALA 26 1.852 -16.786 1.434 154 H GLY 27 H GLY 27 5.486 -14.894 -0.193 155 HA2 GLY 27 1HA GLY 27 7.496 -15.930 -0.968 156 HA3 GLY 27 2HA GLY 27 6.517 -17.049 -1.906 157 H VAL 28 H VAL 28 4.798 -14.892 -2.937 158 HA VAL 28 HA VAL 28 6.612 -13.980 -5.045 159 HB VAL 28 HB VAL 28 3.592 -13.975 -4.955 160 HG11 VAL 28 1HG1 VAL 28 3.540 -13.040 -7.033 161 HG12 VAL 28 2HG1 VAL 28 5.005 -12.273 -6.417 162 HG13 VAL 28 3HG1 VAL 28 5.122 -13.675 -7.481 163 HG21 VAL 28 3HG2 VAL 28 5.465 -16.055 -5.490 164 HG22 VAL 28 1HG2 VAL 28 3.703 -16.109 -5.554 165 HG23 VAL 28 2HG2 VAL 28 4.624 -15.651 -6.987 166 HA PRO 29 HA PRO 29 6.620 -9.862 -3.439 167 HB2 PRO 29 1HB PRO 29 7.591 -8.618 -5.647 168 HB3 PRO 29 2HB PRO 29 8.599 -9.597 -4.574 169 HG2 PRO 29 1HG PRO 29 7.347 -10.334 -7.192 170 HG3 PRO 29 2HG PRO 29 8.979 -10.688 -6.593 171 HD2 PRO 29 1HD PRO 29 6.981 -12.514 -6.542 172 HD3 PRO 29 2HD PRO 29 8.260 -12.464 -5.312 173 H ALA 30 H ALA 30 5.276 -8.122 -3.434 174 HA ALA 30 HA ALA 30 3.359 -7.874 -5.658 175 HB1 ALA 30 3HB ALA 30 1.671 -7.177 -3.927 176 HB2 ALA 30 1HB ALA 30 2.134 -8.879 -3.892 177 HB3 ALA 30 2HB ALA 30 2.799 -7.759 -2.703 178 H GLU 31 H GLU 31 4.130 -6.091 -6.658 179 HA GLU 31 HA GLU 31 4.736 -3.727 -5.022 180 HB2 GLU 31 1HB GLU 31 5.884 -2.857 -7.010 181 HB3 GLU 31 2HB GLU 31 6.524 -4.422 -6.529 182 HG2 GLU 31 1HG GLU 31 6.368 -4.761 -8.762 183 HG3 GLU 31 2HG GLU 31 4.756 -5.290 -8.285 184 H PHE 32 H PHE 32 3.801 -1.726 -5.472 185 HA PHE 32 HA PHE 32 1.605 -1.679 -7.412 186 HB2 PHE 32 1HB PHE 32 0.272 -0.391 -5.623 187 HB3 PHE 32 2HB PHE 32 0.379 -2.141 -5.465 188 HD1 PHE 32 2HD PHE 32 2.050 -3.107 -3.847 189 HD2 PHE 32 1HD PHE 32 1.041 1.028 -3.931 190 HE1 PHE 32 2HE PHE 32 2.946 -2.845 -1.570 191 HE2 PHE 32 1HE PHE 32 1.937 1.296 -1.654 192 HZ PHE 32 HZ PHE 32 2.888 -0.642 -0.470 193 H SER 33 H SER 33 0.867 0.503 -7.930 194 HA SER 33 HA SER 33 3.101 2.395 -7.817 195 HB2 SER 33 1HB SER 33 1.981 3.528 -9.697 196 HB3 SER 33 2HB SER 33 2.258 1.823 -10.051 197 HG SER 33 HG SER 33 0.153 1.435 -9.942 198 H ILE 34 H ILE 34 2.906 4.450 -7.022 199 HA ILE 34 HA ILE 34 0.359 5.100 -5.686 200 HB ILE 34 HB ILE 34 3.107 5.885 -4.716 201 HG12 ILE 34 1HG1 ILE 34 1.293 3.877 -3.398 202 HG13 ILE 34 2HG1 ILE 34 2.463 3.386 -4.619 203 HG21 ILE 34 1HG2 ILE 34 0.847 7.191 -4.217 204 HG22 ILE 34 2HG2 ILE 34 0.700 5.934 -2.990 205 HG23 ILE 34 3HG2 ILE 34 2.109 6.995 -3.001 206 HD11 ILE 34 3HD1 ILE 34 4.271 4.268 -3.252 207 HD12 ILE 34 1HD1 ILE 34 3.106 4.788 -2.035 208 HD13 ILE 34 2HD1 ILE 34 3.325 3.070 -2.369 209 H TRP 35 H TRP 35 -0.586 6.703 -6.758 210 HA TRP 35 HA TRP 35 1.048 8.713 -8.109 211 HB2 TRP 35 1HB TRP 35 -1.935 8.745 -8.220 212 HB3 TRP 35 2HB TRP 35 -0.761 9.145 -9.471 213 HD1 TRP 35 HD TRP 35 -2.416 6.090 -7.811 214 HE1 TRP 35 1HE TRP 35 -2.251 4.100 -9.435 215 HE3 TRP 35 3HE TRP 35 0.499 8.231 -11.423 216 HZ2 TRP 35 2HZ TRP 35 -1.045 3.516 -11.920 217 HZ3 TRP 35 3HZ TRP 35 1.114 6.889 -13.391 218 HH2 TRP 35 HH TRP 35 0.357 4.580 -13.633 219 H THR 36 H THR 36 0.689 10.965 -7.820 220 HA THR 36 HA THR 36 -0.678 11.702 -5.322 221 HB THR 36 HB THR 36 1.143 13.340 -4.861 222 HG1 THR 36 1HG THR 36 1.950 13.244 -7.109 223 HG21 THR 36 3HG2 THR 36 1.206 11.346 -3.583 224 HG22 THR 36 1HG2 THR 36 2.850 11.593 -4.170 225 HG23 THR 36 2HG2 THR 36 1.807 10.404 -4.948 226 H ARG 37 H ARG 37 -2.291 13.006 -5.880 227 HA ARG 37 HA ARG 37 -1.790 15.042 -7.952 228 HB2 ARG 37 1HB ARG 37 -3.530 13.104 -8.331 229 HB3 ARG 37 2HB ARG 37 -4.556 14.105 -7.311 230 HG2 ARG 37 1HG ARG 37 -3.181 15.279 -9.691 231 HG3 ARG 37 2HG ARG 37 -4.681 14.367 -9.873 232 HD2 ARG 37 1HD ARG 37 -5.861 15.877 -8.456 233 HD3 ARG 37 2HD ARG 37 -4.367 16.682 -7.975 234 HE ARG 37 HE ARG 37 -4.421 17.897 -9.925 235 HH11 ARG 37 1HH1 ARG 37 -6.744 15.309 -10.091 236 HH12 ARG 37 2HH1 ARG 37 -7.491 15.897 -11.539 237 HH21 ARG 37 1HH2 ARG 37 -5.397 18.682 -11.832 238 HH22 ARG 37 2HH2 ARG 37 -6.723 17.816 -12.529 239 H GLU 38 H GLU 38 -1.627 16.996 -7.088 240 HA GLU 38 HA GLU 38 -1.828 18.744 -5.632 241 HB2 GLU 38 1HB GLU 38 -4.678 17.776 -5.842 242 HB3 GLU 38 2HB GLU 38 -4.233 19.261 -5.015 243 HG2 GLU 38 1HG GLU 38 -3.632 18.677 -7.904 244 HG3 GLU 38 2HG GLU 38 -5.023 19.597 -7.335 245 H ALA 39 H ALA 39 -0.868 16.495 -4.359 246 HA ALA 39 HA ALA 39 -2.219 16.587 -1.740 247 HB1 ALA 39 3HB ALA 39 -0.392 14.379 -1.986 248 HB2 ALA 39 1HB ALA 39 -2.119 14.372 -1.628 249 HB3 ALA 39 2HB ALA 39 -1.565 14.363 -3.303 250 H GLY 40 H GLY 40 0.947 16.400 -3.342 251 HA2 GLY 40 1HA GLY 40 2.455 18.230 -2.337 252 HA3 GLY 40 2HA GLY 40 2.202 17.333 -0.848 253 H ALA 41 H ALA 41 2.249 14.729 -2.128 254 HA ALA 41 HA ALA 41 3.855 13.093 -2.290 255 HB1 ALA 41 3HB ALA 41 3.417 14.080 -4.639 256 HB2 ALA 41 1HB ALA 41 5.039 14.756 -4.478 257 HB3 ALA 41 2HB ALA 41 4.800 13.010 -4.406 258 H GLY 42 H GLY 42 4.561 14.809 -0.249 259 HA2 GLY 42 1HA GLY 42 7.481 15.090 -0.618 260 HA3 GLY 42 2HA GLY 42 6.527 16.132 0.428 261 H GLY 43 H GLY 43 5.899 12.713 0.299 262 HA2 GLY 43 1HA GLY 43 7.621 11.697 2.194 263 HA3 GLY 43 2HA GLY 43 6.324 12.450 3.111 264 H LEU 44 H LEU 44 7.272 9.570 2.447 265 HA LEU 44 HA LEU 44 4.601 8.470 2.373 266 HB2 LEU 44 1HB LEU 44 6.542 8.163 0.128 267 HB3 LEU 44 2HB LEU 44 5.466 6.826 0.530 268 HG LEU 44 HG LEU 44 4.516 9.601 -0.172 269 HD11 LEU 44 1HD1 LEU 44 4.072 7.423 -2.079 270 HD12 LEU 44 2HD1 LEU 44 5.755 7.920 -1.914 271 HD13 LEU 44 3HD1 LEU 44 4.525 9.104 -2.357 272 HD21 LEU 44 3HD2 LEU 44 3.172 6.970 0.342 273 HD22 LEU 44 1HD2 LEU 44 2.406 8.215 -0.645 274 HD23 LEU 44 2HD2 LEU 44 2.819 8.554 1.036 275 H SER 45 H SER 45 4.674 7.189 4.095 276 HA SER 45 HA SER 45 7.059 5.502 4.485 277 HB2 SER 45 1HB SER 45 5.104 6.433 6.600 278 HB3 SER 45 2HB SER 45 6.588 5.521 6.871 279 HG SER 45 HG SER 45 7.250 7.538 7.200 280 H ILE 46 H ILE 46 6.762 3.408 4.163 281 HA ILE 46 HA ILE 46 4.055 2.297 4.516 282 HB ILE 46 HB ILE 46 6.154 1.425 2.528 283 HG12 ILE 46 1HG1 ILE 46 3.417 2.531 1.924 284 HG13 ILE 46 2HG1 ILE 46 4.817 3.583 2.111 285 HG21 ILE 46 1HG2 ILE 46 5.109 -0.529 2.439 286 HG22 ILE 46 2HG2 ILE 46 3.979 0.001 3.685 287 HG23 ILE 46 3HG2 ILE 46 3.618 0.297 1.985 288 HD11 ILE 46 3HD1 ILE 46 4.353 3.078 -0.228 289 HD12 ILE 46 1HD1 ILE 46 5.927 2.458 0.271 290 HD13 ILE 46 2HD1 ILE 46 4.558 1.358 0.102 291 H ALA 47 H ALA 47 3.851 0.676 5.920 292 HA ALA 47 HA ALA 47 6.243 -0.865 6.665 293 HB1 ALA 47 3HB ALA 47 5.325 -0.851 9.034 294 HB2 ALA 47 1HB ALA 47 6.057 0.645 8.455 295 HB3 ALA 47 2HB ALA 47 4.301 0.489 8.515 296 H VAL 48 H VAL 48 5.880 -2.923 6.185 297 HA VAL 48 HA VAL 48 3.145 -3.943 6.107 298 HB VAL 48 HB VAL 48 5.732 -5.240 5.235 299 HG11 VAL 48 1HG1 VAL 48 4.587 -7.100 4.614 300 HG12 VAL 48 2HG1 VAL 48 3.552 -6.601 5.954 301 HG13 VAL 48 3HG1 VAL 48 3.098 -6.212 4.294 302 HG21 VAL 48 3HG2 VAL 48 4.137 -3.246 4.005 303 HG22 VAL 48 1HG2 VAL 48 5.536 -4.092 3.345 304 HG23 VAL 48 2HG2 VAL 48 3.916 -4.743 3.100 305 H GLU 49 H GLU 49 2.359 -4.738 7.941 306 HA GLU 49 HA GLU 49 4.123 -6.411 9.605 307 HB2 GLU 49 1HB GLU 49 1.941 -4.537 10.537 308 HB3 GLU 49 2HB GLU 49 2.825 -5.646 11.575 309 HG2 GLU 49 1HG GLU 49 4.842 -4.462 11.294 310 HG3 GLU 49 2HG GLU 49 4.192 -3.525 9.951 311 H GLY 50 H GLY 50 3.486 -8.456 9.674 312 HA2 GLY 50 1HA GLY 50 0.613 -9.054 9.732 313 HA3 GLY 50 2HA GLY 50 1.598 -9.809 8.486 314 HA PRO 51 HA PRO 51 1.510 -12.721 12.051 315 HB2 PRO 51 1HB PRO 51 1.321 -14.946 10.505 316 HB3 PRO 51 2HB PRO 51 -0.085 -13.996 10.998 317 HG2 PRO 51 1HG PRO 51 1.409 -13.962 8.404 318 HG3 PRO 51 2HG PRO 51 -0.342 -13.930 8.688 319 HD2 PRO 51 1HD PRO 51 1.079 -11.701 8.104 320 HD3 PRO 51 2HD PRO 51 -0.354 -11.673 9.152 321 H SER 52 H SER 52 3.553 -12.090 9.418 322 HA SER 52 HA SER 52 5.787 -13.338 10.775 323 HB2 SER 52 1HB SER 52 4.902 -14.201 8.018 324 HB3 SER 52 2HB SER 52 6.532 -14.476 8.631 325 HG SER 52 HG SER 52 4.917 -16.214 8.934 326 H LYS 53 H LYS 53 7.868 -12.719 9.823 327 HA LYS 53 HA LYS 53 8.016 -9.984 9.277 328 HB2 LYS 53 1HB LYS 53 9.823 -11.753 10.063 329 HB3 LYS 53 2HB LYS 53 10.198 -11.798 8.345 330 HG2 LYS 53 1HG LYS 53 10.947 -9.622 8.312 331 HG3 LYS 53 2HG LYS 53 10.016 -9.168 9.742 332 HD2 LYS 53 1HD LYS 53 12.199 -11.196 9.979 333 HD3 LYS 53 2HD LYS 53 12.606 -9.480 9.901 334 HE2 LYS 53 1HE LYS 53 10.609 -10.612 11.848 335 HE3 LYS 53 2HE LYS 53 12.325 -10.454 12.216 336 HZ1 LYS 53 3HZ LYS 53 12.045 -8.033 11.624 337 HZ2 LYS 53 1HZ LYS 53 11.300 -8.535 13.058 338 HZ3 LYS 53 2HZ LYS 53 10.374 -8.297 11.663 339 H ALA 54 H ALA 54 8.110 -8.788 7.446 340 HA ALA 54 HA ALA 54 7.871 -10.232 4.886 341 HB1 ALA 54 3HB ALA 54 6.720 -7.526 5.027 342 HB2 ALA 54 1HB ALA 54 6.110 -8.984 4.242 343 HB3 ALA 54 2HB ALA 54 5.892 -8.758 5.978 344 H GLU 55 H GLU 55 8.975 -9.427 3.118 345 HA GLU 55 HA GLU 55 11.167 -7.614 3.764 346 HB2 GLU 55 1HB GLU 55 11.388 -9.889 2.537 347 HB3 GLU 55 2HB GLU 55 10.809 -9.010 1.129 348 HG2 GLU 55 1HG GLU 55 12.730 -7.347 1.769 349 HG3 GLU 55 2HG GLU 55 13.382 -8.760 2.596 350 H ILE 56 H ILE 56 11.711 -5.820 2.432 351 HA ILE 56 HA ILE 56 9.667 -4.869 0.577 352 HB ILE 56 HB ILE 56 10.600 -3.264 2.959 353 HG12 ILE 56 1HG1 ILE 56 7.750 -3.892 2.249 354 HG13 ILE 56 2HG1 ILE 56 8.719 -5.062 3.139 355 HG21 ILE 56 1HG2 ILE 56 10.480 -1.719 1.206 356 HG22 ILE 56 2HG2 ILE 56 9.062 -2.493 0.502 357 HG23 ILE 56 3HG2 ILE 56 8.915 -1.590 2.010 358 HD11 ILE 56 3HD1 ILE 56 7.902 -3.994 4.926 359 HD12 ILE 56 1HD1 ILE 56 9.178 -2.827 4.583 360 HD13 ILE 56 2HD1 ILE 56 7.534 -2.530 4.016 361 H THR 57 H THR 57 10.474 -3.705 -1.089 362 HA THR 57 HA THR 57 13.274 -2.818 -0.929 363 HB THR 57 HB THR 57 12.016 -4.325 -3.229 364 HG1 THR 57 1HG THR 57 12.876 -5.507 -1.342 365 HG21 THR 57 3HG2 THR 57 14.114 -2.386 -3.236 366 HG22 THR 57 1HG2 THR 57 13.487 -3.339 -4.580 367 HG23 THR 57 2HG2 THR 57 14.800 -3.972 -3.589 368 H PHE 58 H PHE 58 13.599 -0.794 -1.606 369 HA PHE 58 HA PHE 58 11.605 0.439 -3.379 370 HB2 PHE 58 1HB PHE 58 11.491 1.037 -0.823 371 HB3 PHE 58 2HB PHE 58 12.872 2.060 -1.204 372 HD1 PHE 58 2HD PHE 58 12.081 2.904 -3.964 373 HD2 PHE 58 1HD PHE 58 9.841 2.626 -0.355 374 HE1 PHE 58 2HE PHE 58 10.558 4.656 -4.778 375 HE2 PHE 58 1HE PHE 58 8.314 4.376 -1.164 376 HZ PHE 58 HZ PHE 58 8.672 5.395 -3.378 377 H ASP 59 H ASP 59 12.599 1.005 -5.189 378 HA ASP 59 HA ASP 59 15.374 1.988 -5.024 379 HB2 ASP 59 1HB ASP 59 14.095 0.777 -7.474 380 HB3 ASP 59 2HB ASP 59 15.806 1.079 -7.180 381 H ASP 60 H ASP 60 15.473 4.114 -5.256 382 HA ASP 60 HA ASP 60 13.571 5.423 -7.086 383 HB2 ASP 60 1HB ASP 60 13.198 6.196 -4.842 384 HB3 ASP 60 2HB ASP 60 14.919 6.476 -4.596 385 H HIS 61 H HIS 61 14.636 5.590 -8.976 386 HA HIS 61 HA HIS 61 17.421 6.494 -8.967 387 HB2 HIS 61 1HB HIS 61 15.678 5.183 -11.039 388 HB3 HIS 61 2HB HIS 61 17.184 5.978 -11.489 389 HD1 HIS 61 1HD HIS 61 16.518 2.842 -11.636 390 HD2 HIS 61 2HD HIS 61 18.847 4.769 -8.787 391 HE1 HIS 61 1HE HIS 61 18.043 1.072 -10.706 392 H LYS 62 H LYS 62 14.373 7.217 -10.669 393 HA LYS 62 HA LYS 62 15.246 10.024 -10.837 394 HB2 LYS 62 1HB LYS 62 13.852 8.413 -12.982 395 HB3 LYS 62 2HB LYS 62 14.094 10.154 -13.046 396 HG2 LYS 62 1HG LYS 62 16.372 8.215 -12.785 397 HG3 LYS 62 2HG LYS 62 15.728 8.731 -14.346 398 HD2 LYS 62 1HD LYS 62 16.120 11.109 -13.570 399 HD3 LYS 62 2HD LYS 62 17.028 10.423 -12.220 400 HE2 LYS 62 1HE LYS 62 18.613 9.427 -13.702 401 HE3 LYS 62 2HE LYS 62 17.634 9.830 -15.111 402 HZ1 LYS 62 3HZ LYS 62 17.981 12.216 -14.474 403 HZ2 LYS 62 1HZ LYS 62 19.366 11.405 -15.009 404 HZ3 LYS 62 2HZ LYS 62 19.137 11.686 -13.357 405 H ASN 63 H ASN 63 12.330 8.091 -11.550 406 HA ASN 63 HA ASN 63 10.804 9.963 -9.863 407 HB2 ASN 63 1HB ASN 63 10.102 8.721 -12.514 408 HB3 ASN 63 2HB ASN 63 8.850 9.301 -11.418 409 HD21 ASN 63 1HD2 ASN 63 8.120 11.160 -12.138 410 HD22 ASN 63 2HD2 ASN 63 9.078 12.476 -12.715 411 H GLY 64 H GLY 64 12.087 7.395 -9.173 412 HA2 GLY 64 1HA GLY 64 11.578 5.343 -8.226 413 HA3 GLY 64 2HA GLY 64 10.380 6.316 -7.387 414 H SER 65 H SER 65 10.584 5.296 -10.786 415 HA SER 65 HA SER 65 7.841 4.770 -11.022 416 HB2 SER 65 1HB SER 65 10.259 4.110 -12.649 417 HB3 SER 65 2HB SER 65 8.741 3.301 -13.032 418 HG SER 65 HG SER 65 9.510 5.810 -13.605 419 H CYS 66 H CYS 66 10.573 2.557 -10.512 420 HA CYS 66 HA CYS 66 9.448 0.116 -10.616 421 HB2 CYS 66 1HB CYS 66 11.306 1.144 -8.463 422 HB3 CYS 66 2HB CYS 66 10.947 -0.559 -8.723 423 HG CYS 66 HG CYS 66 12.925 -0.883 -10.314 424 H GLY 67 H GLY 67 9.036 2.432 -7.977 425 HA2 GLY 67 1HA GLY 67 7.160 2.632 -6.598 426 HA3 GLY 67 2HA GLY 67 6.574 1.093 -7.211 427 H VAL 68 H VAL 68 6.087 0.302 -5.160 428 HA VAL 68 HA VAL 68 8.442 -0.337 -3.502 429 HB VAL 68 HB VAL 68 5.625 0.187 -2.540 430 HG11 VAL 68 1HG1 VAL 68 7.706 -1.342 -1.384 431 HG12 VAL 68 2HG1 VAL 68 7.561 0.150 -0.453 432 HG13 VAL 68 3HG1 VAL 68 6.156 -0.891 -0.674 433 HG21 VAL 68 3HG2 VAL 68 8.013 1.875 -2.824 434 HG22 VAL 68 1HG2 VAL 68 6.309 2.322 -2.721 435 HG23 VAL 68 2HG2 VAL 68 7.219 1.966 -1.252 436 H SER 69 H SER 69 8.885 -2.431 -3.567 437 HA SER 69 HA SER 69 6.701 -4.337 -4.048 438 HB2 SER 69 1HB SER 69 8.292 -5.825 -4.973 439 HB3 SER 69 2HB SER 69 8.745 -4.238 -5.592 440 HG SER 69 HG SER 69 10.604 -4.530 -4.685 441 H TYR 70 H TYR 70 6.407 -6.126 -2.737 442 HA TYR 70 HA TYR 70 8.100 -6.425 -0.380 443 HB2 TYR 70 1HB TYR 70 6.377 -6.190 1.202 444 HB3 TYR 70 2HB TYR 70 6.135 -4.841 0.099 445 HD1 TYR 70 1HD TYR 70 4.822 -8.071 1.237 446 HD2 TYR 70 2HD TYR 70 4.205 -4.757 -1.358 447 HE1 TYR 70 1HE TYR 70 2.503 -8.802 0.867 448 HE2 TYR 70 2HE TYR 70 1.883 -5.477 -1.735 449 HH TYR 70 HH TYR 70 0.178 -6.821 -0.682 450 H ILE 71 H ILE 71 8.072 -8.479 0.519 451 HA ILE 71 HA ILE 71 6.432 -10.486 -0.879 452 HB ILE 71 HB ILE 71 9.355 -10.697 -0.157 453 HG12 ILE 71 1HG1 ILE 71 8.034 -11.140 -2.833 454 HG13 ILE 71 2HG1 ILE 71 8.607 -9.557 -2.320 455 HG21 ILE 71 1HG2 ILE 71 7.317 -12.786 -0.728 456 HG22 ILE 71 2HG2 ILE 71 8.946 -13.006 -1.367 457 HG23 ILE 71 3HG2 ILE 71 8.699 -12.821 0.369 458 HD11 ILE 71 3HD1 ILE 71 10.610 -10.075 -3.087 459 HD12 ILE 71 1HD1 ILE 71 10.719 -11.364 -1.889 460 HD13 ILE 71 2HD1 ILE 71 10.064 -11.702 -3.490 461 H ALA 72 H ALA 72 5.581 -12.108 0.352 462 HA ALA 72 HA ALA 72 6.083 -11.946 3.252 463 HB1 ALA 72 3HB ALA 72 3.864 -11.263 2.928 464 HB2 ALA 72 1HB ALA 72 3.564 -12.515 1.723 465 HB3 ALA 72 2HB ALA 72 3.745 -12.952 3.422 466 H GLN 73 H GLN 73 7.506 -13.543 3.666 467 HA GLN 73 HA GLN 73 7.877 -15.915 2.325 468 HB2 GLN 73 1HB GLN 73 8.260 -15.304 5.257 469 HB3 GLN 73 2HB GLN 73 8.835 -16.777 4.486 470 HG2 GLN 73 1HG GLN 73 9.627 -14.146 3.342 471 HG3 GLN 73 2HG GLN 73 10.413 -14.719 4.813 472 HE21 GLN 73 1HE2 GLN 73 9.700 -15.553 1.470 473 HE22 GLN 73 2HE2 GLN 73 11.067 -16.584 1.243 474 H GLU 74 H GLU 74 5.665 -15.252 5.009 475 HA GLU 74 HA GLU 74 4.446 -17.897 4.567 476 HB2 GLU 74 1HB GLU 74 4.108 -16.209 7.040 477 HB3 GLU 74 2HB GLU 74 3.739 -17.916 6.833 478 HG2 GLU 74 1HG GLU 74 6.334 -18.032 6.322 479 HG3 GLU 74 2HG GLU 74 6.336 -16.578 7.318 480 HA PRO 75 HA PRO 75 0.807 -15.916 3.087 481 HB2 PRO 75 1HB PRO 75 -1.003 -17.866 3.629 482 HB3 PRO 75 2HB PRO 75 0.175 -17.987 2.316 483 HG2 PRO 75 1HG PRO 75 0.267 -19.182 5.059 484 HG3 PRO 75 2HG PRO 75 0.692 -19.918 3.503 485 HD2 PRO 75 1HD PRO 75 2.555 -18.952 5.214 486 HD3 PRO 75 2HD PRO 75 2.767 -18.915 3.452 487 H GLY 76 H GLY 76 -1.133 -14.928 3.784 488 HA2 GLY 76 1HA GLY 76 -2.691 -15.083 5.895 489 HA3 GLY 76 2HA GLY 76 -1.228 -14.503 6.679 490 H ASN 77 H ASN 77 -3.052 -12.837 7.169 491 HA ASN 77 HA ASN 77 -3.410 -10.894 5.035 492 HB2 ASN 77 1HB ASN 77 -4.434 -10.986 7.879 493 HB3 ASN 77 2HB ASN 77 -4.796 -9.689 6.743 494 HD21 ASN 77 1HD2 ASN 77 -6.968 -10.648 7.549 495 HD22 ASN 77 2HD2 ASN 77 -7.676 -11.823 6.499 496 H TYR 78 H TYR 78 -1.740 -9.588 4.653 497 HA TYR 78 HA TYR 78 -0.086 -8.667 6.885 498 HB2 TYR 78 1HB TYR 78 0.287 -8.705 3.900 499 HB3 TYR 78 2HB TYR 78 1.305 -7.703 4.928 500 HD1 TYR 78 2HD TYR 78 0.246 -11.207 4.310 501 HD2 TYR 78 1HD TYR 78 3.136 -8.631 6.079 502 HE1 TYR 78 2HE TYR 78 1.697 -13.144 4.749 503 HE2 TYR 78 1HE TYR 78 4.593 -10.562 6.522 504 HH TYR 78 HH TYR 78 3.507 -13.813 6.134 505 H GLU 79 H GLU 79 -0.758 -6.870 7.847 506 HA GLU 79 HA GLU 79 -2.332 -4.902 6.424 507 HB2 GLU 79 1HB GLU 79 -2.498 -5.719 8.940 508 HB3 GLU 79 2HB GLU 79 -1.324 -4.435 9.194 509 HG2 GLU 79 1HG GLU 79 -3.048 -3.016 7.822 510 HG3 GLU 79 2HG GLU 79 -4.172 -4.264 8.356 511 H VAL 80 H VAL 80 -1.358 -3.447 5.185 512 HA VAL 80 HA VAL 80 1.346 -2.546 5.864 513 HB VAL 80 HB VAL 80 -0.226 -2.013 3.341 514 HG11 VAL 80 1HG1 VAL 80 2.696 -1.665 4.002 515 HG12 VAL 80 2HG1 VAL 80 1.978 -1.439 2.407 516 HG13 VAL 80 3HG1 VAL 80 1.520 -0.378 3.739 517 HG21 VAL 80 3HG2 VAL 80 2.056 -3.914 3.410 518 HG22 VAL 80 1HG2 VAL 80 0.502 -4.463 4.037 519 HG23 VAL 80 2HG2 VAL 80 0.631 -3.894 2.372 520 H SER 81 H SER 81 1.536 -0.747 7.008 521 HA SER 81 HA SER 81 -0.637 1.194 7.052 522 HB2 SER 81 1HB SER 81 0.383 0.441 9.184 523 HB3 SER 81 2HB SER 81 1.924 1.128 8.668 524 HG SER 81 HG SER 81 1.169 2.848 9.625 525 H ILE 82 H ILE 82 -0.639 2.809 5.650 526 HA ILE 82 HA ILE 82 1.938 3.818 4.646 527 HB ILE 82 HB ILE 82 -0.801 4.052 3.392 528 HG12 ILE 82 1HG1 ILE 82 1.593 2.330 2.725 529 HG13 ILE 82 2HG1 ILE 82 -0.003 1.783 3.227 530 HG21 ILE 82 1HG2 ILE 82 1.573 4.611 1.771 531 HG22 ILE 82 2HG2 ILE 82 0.036 5.468 1.868 532 HG23 ILE 82 3HG2 ILE 82 1.289 5.769 3.070 533 HD11 ILE 82 3HD1 ILE 82 0.469 1.524 0.804 534 HD12 ILE 82 1HD1 ILE 82 -0.965 2.484 1.164 535 HD13 ILE 82 2HD1 ILE 82 0.531 3.282 0.678 536 H LYS 83 H LYS 83 2.570 5.743 5.336 537 HA LYS 83 HA LYS 83 0.522 7.652 6.260 538 HB2 LYS 83 1HB LYS 83 3.151 6.861 7.428 539 HB3 LYS 83 2HB LYS 83 2.627 8.529 7.617 540 HG2 LYS 83 1HG LYS 83 0.401 7.394 8.432 541 HG3 LYS 83 2HG LYS 83 1.482 6.038 8.762 542 HD2 LYS 83 1HD LYS 83 1.890 8.853 9.768 543 HD3 LYS 83 2HD LYS 83 1.177 7.541 10.708 544 HE2 LYS 83 1HE LYS 83 3.877 7.235 9.446 545 HE3 LYS 83 2HE LYS 83 3.694 8.067 10.989 546 HZ1 LYS 83 3HZ LYS 83 3.815 5.320 10.523 547 HZ2 LYS 83 1HZ LYS 83 2.254 5.659 11.082 548 HZ3 LYS 83 2HZ LYS 83 3.600 6.116 12.000 549 H PHE 84 H PHE 84 0.391 9.432 5.077 550 HA PHE 84 HA PHE 84 2.647 10.155 3.351 551 HB2 PHE 84 1HB PHE 84 0.642 9.909 2.097 552 HB3 PHE 84 2HB PHE 84 -0.290 10.838 3.267 553 HD1 PHE 84 2HD PHE 84 2.400 11.108 0.735 554 HD2 PHE 84 1HD PHE 84 -0.539 13.149 3.041 555 HE1 PHE 84 2HE PHE 84 2.788 13.149 -0.584 556 HE2 PHE 84 1HE PHE 84 -0.157 15.193 1.725 557 HZ PHE 84 HZ PHE 84 1.509 15.195 -0.089 558 H ASN 85 H ASN 85 3.936 11.752 3.956 559 HA ASN 85 HA ASN 85 4.767 13.568 5.050 560 HB2 ASN 85 1HB ASN 85 1.940 14.513 4.548 561 HB3 ASN 85 2HB ASN 85 3.229 15.555 5.144 562 HD21 ASN 85 1HD2 ASN 85 3.432 16.898 3.444 563 HD22 ASN 85 2HD2 ASN 85 3.905 16.399 1.860 564 H ASP 86 H ASP 86 3.730 11.427 6.676 565 HA ASP 86 HA ASP 86 3.555 11.009 8.917 566 HB2 ASP 86 1HB ASP 86 3.410 13.977 9.422 567 HB3 ASP 86 2HB ASP 86 3.961 12.710 10.515 568 H GLU 87 H GLU 87 1.305 11.088 7.226 569 HA GLU 87 HA GLU 87 -0.769 11.601 9.215 570 HB2 GLU 87 1HB GLU 87 -0.551 12.917 6.551 571 HB3 GLU 87 2HB GLU 87 -2.151 12.445 7.106 572 HG2 GLU 87 1HG GLU 87 -1.847 13.768 9.131 573 HG3 GLU 87 2HG GLU 87 -0.237 14.235 8.586 574 H HIS 88 H HIS 88 -2.459 10.179 9.148 575 HA HIS 88 HA HIS 88 -2.091 7.844 7.460 576 HB2 HIS 88 1HB HIS 88 -3.567 8.462 9.956 577 HB3 HIS 88 2HB HIS 88 -4.269 7.226 8.918 578 HD2 HIS 88 2HD HIS 88 -1.054 7.789 11.083 579 HE1 HIS 88 1HE HIS 88 -1.277 3.696 9.994 580 HE2 HIS 88 2HE HIS 88 -0.118 5.404 11.437 581 H ILE 89 H ILE 89 -2.904 7.970 5.468 582 HA ILE 89 HA ILE 89 -5.039 9.650 4.699 583 HB ILE 89 HB ILE 89 -5.056 8.006 2.650 584 HG12 ILE 89 1HG1 ILE 89 -2.308 7.419 3.737 585 HG13 ILE 89 2HG1 ILE 89 -3.666 6.338 4.029 586 HG21 ILE 89 1HG2 ILE 89 -3.186 9.238 1.681 587 HG22 ILE 89 2HG2 ILE 89 -4.225 10.304 2.626 588 HG23 ILE 89 3HG2 ILE 89 -2.685 9.757 3.290 589 HD11 ILE 89 3HD1 ILE 89 -3.301 7.089 1.226 590 HD12 ILE 89 1HD1 ILE 89 -1.969 6.169 1.926 591 HD13 ILE 89 2HD1 ILE 89 -3.606 5.513 1.955 592 HA PRO 90 HA PRO 90 -8.666 7.337 5.565 593 HB2 PRO 90 1HB PRO 90 -10.204 7.861 3.389 594 HB3 PRO 90 2HB PRO 90 -9.864 9.065 4.639 595 HG2 PRO 90 1HG PRO 90 -8.576 8.698 1.962 596 HG3 PRO 90 2HG PRO 90 -9.084 10.196 2.763 597 HD2 PRO 90 1HD PRO 90 -6.508 9.363 2.730 598 HD3 PRO 90 2HD PRO 90 -7.199 10.275 4.087 599 H GLU 91 H GLU 91 -6.514 6.356 3.283 600 HA GLU 91 HA GLU 91 -8.153 4.042 2.485 601 HB2 GLU 91 1HB GLU 91 -5.856 5.423 1.112 602 HB3 GLU 91 2HB GLU 91 -6.352 3.795 0.674 603 HG2 GLU 91 1HG GLU 91 -7.356 5.361 -0.833 604 HG3 GLU 91 2HG GLU 91 -8.611 4.648 0.179 605 H SER 92 H SER 92 -5.585 5.043 4.412 606 HA SER 92 HA SER 92 -4.508 2.303 4.552 607 HB2 SER 92 1HB SER 92 -2.391 3.123 4.924 608 HB3 SER 92 2HB SER 92 -3.035 4.433 3.934 609 HG SER 92 HG SER 92 -1.971 4.785 6.189 610 HA PRO 93 HA PRO 93 -2.781 1.541 6.032 611 HB2 PRO 93 1HB PRO 93 -3.145 -0.786 7.381 612 HB3 PRO 93 2HB PRO 93 -2.265 0.589 8.059 613 HG2 PRO 93 1HG PRO 93 -5.097 -0.265 8.526 614 HG3 PRO 93 2HG PRO 93 -3.891 0.300 9.697 615 HD2 PRO 93 1HD PRO 93 -5.846 1.906 8.729 616 HD3 PRO 93 2HD PRO 93 -4.241 2.518 9.177 617 H TYR 94 H TYR 94 -2.774 -0.826 5.122 618 HA TYR 94 HA TYR 94 -5.360 -1.291 3.786 619 HB2 TYR 94 1HB TYR 94 -2.574 -1.617 2.655 620 HB3 TYR 94 2HB TYR 94 -4.052 -2.100 1.831 621 HD1 TYR 94 2HD TYR 94 -2.421 0.884 3.362 622 HD2 TYR 94 1HD TYR 94 -5.121 -0.593 0.424 623 HE1 TYR 94 2HE TYR 94 -2.631 3.148 2.425 624 HE2 TYR 94 1HE TYR 94 -5.337 1.668 -0.522 625 HH TYR 94 HH TYR 94 -4.494 3.756 -0.512 626 H LEU 95 H LEU 95 -5.926 -3.449 3.319 627 HA LEU 95 HA LEU 95 -4.449 -5.449 4.900 628 HB2 LEU 95 1HB LEU 95 -6.717 -4.833 5.747 629 HB3 LEU 95 2HB LEU 95 -7.389 -5.466 4.246 630 HG LEU 95 HG LEU 95 -6.768 -7.690 4.810 631 HD11 LEU 95 1HD1 LEU 95 -4.997 -6.342 6.763 632 HD12 LEU 95 2HD1 LEU 95 -4.707 -7.759 5.756 633 HD13 LEU 95 3HD1 LEU 95 -5.674 -7.904 7.223 634 HD21 LEU 95 3HD2 LEU 95 -7.969 -6.186 7.119 635 HD22 LEU 95 1HD2 LEU 95 -7.851 -7.945 7.083 636 HD23 LEU 95 2HD2 LEU 95 -8.798 -7.099 5.858 637 H VAL 96 H VAL 96 -3.333 -6.726 3.582 638 HA VAL 96 HA VAL 96 -4.569 -7.542 1.032 639 HB VAL 96 HB VAL 96 -1.626 -7.544 1.717 640 HG11 VAL 96 1HG1 VAL 96 -2.323 -7.522 -1.086 641 HG12 VAL 96 2HG1 VAL 96 -1.287 -8.636 -0.191 642 HG13 VAL 96 3HG1 VAL 96 -3.028 -8.911 -0.261 643 HG21 VAL 96 3HG2 VAL 96 -2.680 -5.685 -0.317 644 HG22 VAL 96 1HG2 VAL 96 -3.075 -5.304 1.359 645 HG23 VAL 96 2HG2 VAL 96 -1.390 -5.464 0.864 646 HA PRO 97 HA PRO 97 -4.726 -11.461 3.278 647 HB2 PRO 97 1HB PRO 97 -6.468 -12.624 1.551 648 HB3 PRO 97 2HB PRO 97 -6.978 -11.513 2.826 649 HG2 PRO 97 1HG PRO 97 -6.539 -10.980 -0.086 650 HG3 PRO 97 2HG PRO 97 -7.853 -10.425 0.967 651 HD2 PRO 97 1HD PRO 97 -5.759 -8.846 0.297 652 HD3 PRO 97 2HD PRO 97 -6.586 -8.721 1.863 653 H VAL 98 H VAL 98 -2.530 -11.950 2.727 654 HA VAL 98 HA VAL 98 -1.908 -12.995 0.111 655 HB VAL 98 HB VAL 98 -0.256 -12.995 2.642 656 HG11 VAL 98 1HG1 VAL 98 1.617 -13.581 1.303 657 HG12 VAL 98 2HG1 VAL 98 0.332 -14.729 0.916 658 HG13 VAL 98 3HG1 VAL 98 0.691 -13.401 -0.187 659 HG21 VAL 98 3HG2 VAL 98 0.045 -11.191 0.253 660 HG22 VAL 98 1HG2 VAL 98 -0.923 -10.756 1.662 661 HG23 VAL 98 2HG2 VAL 98 0.808 -11.044 1.837 662 H ILE 99 H ILE 99 -1.451 -15.119 -0.425 663 HA ILE 99 HA ILE 99 -1.945 -17.178 1.599 664 HB ILE 99 HB ILE 99 -3.368 -18.456 0.056 665 HG12 ILE 99 1HG1 ILE 99 -3.734 -16.015 -1.637 666 HG13 ILE 99 2HG1 ILE 99 -2.374 -17.085 -1.960 667 HG21 ILE 99 1HG2 ILE 99 -4.203 -16.692 1.758 668 HG22 ILE 99 2HG2 ILE 99 -4.637 -15.762 0.325 669 HG23 ILE 99 3HG2 ILE 99 -5.338 -17.359 0.585 670 HD11 ILE 99 3HD1 ILE 99 -4.035 -18.963 -2.115 671 HD12 ILE 99 1HD1 ILE 99 -5.301 -17.736 -2.074 672 HD13 ILE 99 2HD1 ILE 99 -4.127 -17.748 -3.390 673 H ALA 100 H ALA 100 -1.037 -19.222 1.120 674 HA ALA 100 HA ALA 100 1.358 -19.064 -0.469 675 HB1 ALA 100 3HB ALA 100 0.303 -20.793 1.614 676 HB2 ALA 100 1HB ALA 100 1.118 -21.692 0.334 677 HB3 ALA 100 2HB ALA 100 1.973 -20.413 1.196 678 HA PRO 101 HA PRO 101 -0.796 -20.570 -4.104 679 HB2 PRO 101 1HB PRO 101 1.330 -20.296 -5.771 680 HB3 PRO 101 2HB PRO 101 0.317 -18.935 -5.275 681 HG2 PRO 101 1HG PRO 101 2.978 -19.801 -4.212 682 HG3 PRO 101 2HG PRO 101 2.398 -18.166 -4.577 683 HD2 PRO 101 1HD PRO 101 2.464 -19.159 -2.060 684 HD3 PRO 101 2HD PRO 101 1.229 -18.002 -2.597 685 H SER 102 H SER 102 -1.135 -22.702 -4.195 686 HA SER 102 HA SER 102 0.598 -24.713 -3.410 687 HB2 SER 102 1HB SER 102 -0.880 -26.259 -4.602 688 HB3 SER 102 2HB SER 102 -1.828 -25.034 -3.757 689 HG SER 102 HG SER 102 -1.086 -24.566 -6.416 690 H ASP 103 H ASP 103 2.602 -24.943 -4.181 691 HA ASP 103 HA ASP 103 3.413 -24.281 -6.803 692 HB2 ASP 103 1HB ASP 103 5.049 -24.278 -5.049 693 HB3 ASP 103 2HB ASP 103 4.718 -25.964 -4.661 694 H ASP 104 H ASP 104 2.242 -25.309 -8.373 695 HA ASP 104 HA ASP 104 2.057 -28.221 -8.330 696 HB2 ASP 104 1HB ASP 104 0.589 -27.924 -10.307 697 HB3 ASP 104 2HB ASP 104 0.027 -27.019 -8.904 698 H ALA 105 H ALA 105 3.051 -29.561 -9.774 699 HA ALA 105 HA ALA 105 4.999 -28.301 -11.595 700 HB1 ALA 105 3HB ALA 105 6.401 -30.294 -11.284 701 HB2 ALA 105 1HB ALA 105 6.108 -29.445 -9.767 702 HB3 ALA 105 2HB ALA 105 5.226 -30.928 -10.131 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -13.782 31.446 -9.758 2 HA2 GLY 1 1HA GLY 1 -11.285 32.126 -9.520 3 HA3 GLY 1 2HA GLY 1 -12.498 33.357 -9.203 4 H SER 2 H SER 2 -11.199 30.581 -7.379 5 HA SER 2 HA SER 2 -10.958 32.349 -5.045 6 HB2 SER 2 1HB SER 2 -10.891 29.324 -5.111 7 HB3 SER 2 2HB SER 2 -10.997 30.350 -3.680 8 HG SER 2 HG SER 2 -13.023 31.123 -4.602 9 H SER 3 H SER 3 -8.986 33.312 -5.419 10 HA SER 3 HA SER 3 -6.659 31.515 -5.599 11 HB2 SER 3 1HB SER 3 -7.146 34.298 -6.618 12 HB3 SER 3 2HB SER 3 -5.500 33.741 -6.314 13 HG SER 3 HG SER 3 -6.045 33.292 -8.443 14 H GLY 4 H GLY 4 -5.275 31.436 -3.945 15 HA2 GLY 4 1HA GLY 4 -3.961 32.781 -2.323 16 HA3 GLY 4 2HA GLY 4 -5.483 33.545 -1.884 17 H SER 5 H SER 5 -4.706 30.122 -2.425 18 HA SER 5 HA SER 5 -5.961 29.481 0.124 19 HB2 SER 5 1HB SER 5 -5.690 27.109 -0.663 20 HB3 SER 5 2HB SER 5 -6.656 28.120 -1.737 21 HG SER 5 HG SER 5 -4.926 26.734 -2.689 22 H SER 6 H SER 6 -4.918 28.731 1.886 23 HA SER 6 HA SER 6 -1.990 28.463 1.695 24 HB2 SER 6 1HB SER 6 -3.036 30.387 3.081 25 HB3 SER 6 2HB SER 6 -3.445 29.127 4.244 26 HG SER 6 HG SER 6 -0.820 29.405 3.247 27 H GLY 7 H GLY 7 -2.188 26.217 1.201 28 HA2 GLY 7 1HA GLY 7 -1.561 24.240 2.587 29 HA3 GLY 7 2HA GLY 7 -3.008 24.581 3.523 30 H GLU 8 H GLU 8 -2.113 24.090 0.103 31 HA GLU 8 HA GLU 8 -4.674 22.807 -0.386 32 HB2 GLU 8 1HB GLU 8 -4.048 22.826 -2.719 33 HB3 GLU 8 2HB GLU 8 -3.724 24.408 -2.024 34 HG2 GLU 8 1HG GLU 8 -1.577 22.332 -2.247 35 HG3 GLU 8 2HG GLU 8 -1.982 23.396 -3.594 36 H GLY 9 H GLY 9 -4.987 20.668 -0.838 37 HA2 GLY 9 1HA GLY 9 -4.058 18.529 -1.583 38 HA3 GLY 9 2HA GLY 9 -2.610 18.923 -0.669 39 H GLY 10 H GLY 10 -2.463 17.483 0.930 40 HA2 GLY 10 1HA GLY 10 -3.162 17.011 3.204 41 HA3 GLY 10 2HA GLY 10 -4.828 17.144 2.661 42 H ALA 11 H ALA 11 -3.135 14.965 3.976 43 HA ALA 11 HA ALA 11 -2.606 12.801 2.435 44 HB1 ALA 11 3HB ALA 11 -2.574 11.634 4.353 45 HB2 ALA 11 1HB ALA 11 -2.865 13.202 5.105 46 HB3 ALA 11 2HB ALA 11 -4.214 12.111 4.791 47 H HIS 12 H HIS 12 -5.819 13.869 3.471 48 HA HIS 12 HA HIS 12 -7.360 11.756 2.596 49 HB2 HIS 12 1HB HIS 12 -9.206 13.350 2.395 50 HB3 HIS 12 2HB HIS 12 -8.260 13.673 3.845 51 HD1 HIS 12 1HD HIS 12 -6.661 15.790 3.741 52 HD2 HIS 12 2HD HIS 12 -9.372 15.435 0.613 53 HE1 HIS 12 1HE HIS 12 -6.719 18.051 2.642 54 H LYS 13 H LYS 13 -6.086 14.472 0.726 55 HA LYS 13 HA LYS 13 -7.404 13.989 -1.684 56 HB2 LYS 13 1HB LYS 13 -4.692 15.185 -1.113 57 HB3 LYS 13 2HB LYS 13 -5.403 15.149 -2.721 58 HG2 LYS 13 1HG LYS 13 -6.953 16.328 -0.464 59 HG3 LYS 13 2HG LYS 13 -5.652 17.258 -1.212 60 HD2 LYS 13 1HD LYS 13 -7.628 17.866 -2.358 61 HD3 LYS 13 2HD LYS 13 -6.763 16.767 -3.435 62 HE2 LYS 13 1HE LYS 13 -8.280 15.069 -3.140 63 HE3 LYS 13 2HE LYS 13 -8.772 15.639 -1.546 64 HZ1 LYS 13 3HZ LYS 13 -10.210 17.163 -2.433 65 HZ2 LYS 13 1HZ LYS 13 -10.339 15.926 -3.579 66 HZ3 LYS 13 2HZ LYS 13 -9.380 17.281 -3.903 67 H VAL 14 H VAL 14 -4.169 12.893 -0.664 68 HA VAL 14 HA VAL 14 -3.363 11.467 -2.832 69 HB VAL 14 HB VAL 14 -3.095 10.584 0.046 70 HG11 VAL 14 1HG1 VAL 14 -0.874 9.679 -1.208 71 HG12 VAL 14 2HG1 VAL 14 -2.319 8.705 -0.925 72 HG13 VAL 14 3HG1 VAL 14 -2.074 9.488 -2.486 73 HG21 VAL 14 3HG2 VAL 14 -1.332 12.297 -1.703 74 HG22 VAL 14 1HG2 VAL 14 -2.214 12.803 -0.262 75 HG23 VAL 14 2HG2 VAL 14 -0.870 11.672 -0.120 76 H ARG 15 H ARG 15 -3.836 9.577 -3.823 77 HA ARG 15 HA ARG 15 -5.780 7.773 -2.576 78 HB2 ARG 15 1HB ARG 15 -7.094 9.231 -4.016 79 HB3 ARG 15 2HB ARG 15 -6.015 8.908 -5.368 80 HG2 ARG 15 1HG ARG 15 -6.886 6.835 -5.751 81 HG3 ARG 15 2HG ARG 15 -7.356 6.601 -4.066 82 HD2 ARG 15 1HD ARG 15 -9.116 8.351 -4.412 83 HD3 ARG 15 2HD ARG 15 -8.714 8.326 -6.127 84 HE ARG 15 HE ARG 15 -9.285 5.713 -5.192 85 HH11 ARG 15 1HH1 ARG 15 -10.808 8.721 -6.059 86 HH12 ARG 15 2HH1 ARG 15 -12.309 7.982 -6.509 87 HH21 ARG 15 1HH2 ARG 15 -11.256 4.729 -5.782 88 HH22 ARG 15 2HH2 ARG 15 -12.563 5.711 -6.350 89 H ALA 16 H ALA 16 -4.979 5.788 -2.584 90 HA ALA 16 HA ALA 16 -2.991 5.068 -4.626 91 HB1 ALA 16 3HB ALA 16 -2.496 3.169 -2.985 92 HB2 ALA 16 1HB ALA 16 -2.015 4.801 -2.518 93 HB3 ALA 16 2HB ALA 16 -3.473 4.081 -1.835 94 H GLY 17 H GLY 17 -3.073 2.978 -5.607 95 HA2 GLY 17 1HA GLY 17 -4.933 0.994 -5.284 96 HA3 GLY 17 2HA GLY 17 -5.743 2.184 -6.293 97 H GLY 18 H GLY 18 -3.424 -0.345 -6.171 98 HA2 GLY 18 1HA GLY 18 -3.213 -0.252 -9.086 99 HA3 GLY 18 2HA GLY 18 -1.713 -0.197 -8.172 100 HA PRO 19 HA PRO 19 -3.008 -4.634 -9.028 101 HB2 PRO 19 1HB PRO 19 -0.802 -5.318 -10.456 102 HB3 PRO 19 2HB PRO 19 -2.254 -4.636 -11.198 103 HG2 PRO 19 1HG PRO 19 0.306 -3.279 -10.449 104 HG3 PRO 19 2HG PRO 19 -0.668 -3.095 -11.919 105 HD2 PRO 19 1HD PRO 19 -0.759 -1.316 -9.880 106 HD3 PRO 19 2HD PRO 19 -2.168 -1.674 -10.899 107 H GLY 20 H GLY 20 -2.663 -5.670 -7.155 108 HA2 GLY 20 1HA GLY 20 -0.801 -7.150 -6.225 109 HA3 GLY 20 2HA GLY 20 0.055 -5.630 -6.013 110 H LEU 21 H LEU 21 -2.278 -4.122 -5.214 111 HA LEU 21 HA LEU 21 -2.239 -4.760 -2.423 112 HB2 LEU 21 1HB LEU 21 -3.673 -2.686 -4.058 113 HB3 LEU 21 2HB LEU 21 -3.928 -2.855 -2.322 114 HG LEU 21 HG LEU 21 -1.192 -2.394 -3.472 115 HD11 LEU 21 1HD1 LEU 21 -2.759 -0.121 -2.388 116 HD12 LEU 21 2HD1 LEU 21 -3.097 -0.641 -4.039 117 HD13 LEU 21 3HD1 LEU 21 -1.468 -0.140 -3.588 118 HD21 LEU 21 3HD2 LEU 21 -0.606 -2.556 -1.339 119 HD22 LEU 21 1HD2 LEU 21 -2.289 -2.793 -0.866 120 HD23 LEU 21 2HD2 LEU 21 -1.623 -1.163 -0.969 121 H GLU 22 H GLU 22 -4.390 -5.371 -5.081 122 HA GLU 22 HA GLU 22 -6.785 -5.838 -3.738 123 HB2 GLU 22 1HB GLU 22 -7.298 -7.387 -5.656 124 HB3 GLU 22 2HB GLU 22 -6.803 -5.766 -6.118 125 HG2 GLU 22 1HG GLU 22 -5.536 -6.951 -7.569 126 HG3 GLU 22 2HG GLU 22 -4.421 -6.910 -6.205 127 H ARG 23 H ARG 23 -4.184 -8.135 -4.532 128 HA ARG 23 HA ARG 23 -4.798 -9.676 -2.162 129 HB2 ARG 23 1HB ARG 23 -6.267 -10.476 -4.156 130 HB3 ARG 23 2HB ARG 23 -4.773 -11.183 -4.756 131 HG2 ARG 23 1HG ARG 23 -4.677 -12.175 -2.309 132 HG3 ARG 23 2HG ARG 23 -6.423 -11.935 -2.409 133 HD2 ARG 23 1HD ARG 23 -4.843 -13.381 -4.523 134 HD3 ARG 23 2HD ARG 23 -5.560 -14.200 -3.136 135 HE ARG 23 HE ARG 23 -6.914 -13.281 -5.472 136 HH11 ARG 23 1HH1 ARG 23 -7.277 -13.839 -2.055 137 HH12 ARG 23 2HH1 ARG 23 -8.993 -14.066 -2.141 138 HH21 ARG 23 1HH2 ARG 23 -9.173 -13.577 -5.600 139 HH22 ARG 23 2HH2 ARG 23 -10.069 -13.918 -4.158 140 H GLY 24 H GLY 24 -3.121 -11.085 -1.542 141 HA2 GLY 24 1HA GLY 24 -0.622 -10.721 -3.080 142 HA3 GLY 24 2HA GLY 24 -0.676 -10.739 -1.323 143 H GLU 25 H GLU 25 1.077 -12.403 -2.403 144 HA GLU 25 HA GLU 25 -0.111 -15.023 -1.882 145 HB2 GLU 25 1HB GLU 25 1.248 -14.177 -4.400 146 HB3 GLU 25 2HB GLU 25 1.520 -15.812 -3.816 147 HG2 GLU 25 1HG GLU 25 -0.622 -16.467 -4.216 148 HG3 GLU 25 2HG GLU 25 -1.279 -14.848 -3.984 149 H ALA 26 H ALA 26 1.239 -16.458 -0.868 150 HA ALA 26 HA ALA 26 3.496 -15.377 0.489 151 HB1 ALA 26 3HB ALA 26 2.986 -18.314 0.379 152 HB2 ALA 26 1HB ALA 26 3.508 -17.309 1.733 153 HB3 ALA 26 2HB ALA 26 1.829 -17.262 1.195 154 H GLY 27 H GLY 27 5.433 -15.080 -0.389 155 HA2 GLY 27 1HA GLY 27 7.474 -15.888 -1.263 156 HA3 GLY 27 2HA GLY 27 6.604 -17.228 -1.994 157 H VAL 28 H VAL 28 5.027 -14.296 -2.503 158 HA VAL 28 HA VAL 28 6.296 -13.994 -5.147 159 HB VAL 28 HB VAL 28 3.363 -13.674 -4.498 160 HG11 VAL 28 1HG1 VAL 28 3.147 -13.419 -6.978 161 HG12 VAL 28 2HG1 VAL 28 3.962 -12.079 -6.170 162 HG13 VAL 28 3HG1 VAL 28 4.904 -13.280 -7.056 163 HG21 VAL 28 3HG2 VAL 28 3.131 -15.589 -6.108 164 HG22 VAL 28 1HG2 VAL 28 4.881 -15.791 -6.007 165 HG23 VAL 28 2HG2 VAL 28 3.884 -15.995 -4.566 166 HA PRO 29 HA PRO 29 6.989 -9.838 -3.760 167 HB2 PRO 29 1HB PRO 29 7.915 -8.870 -6.120 168 HB3 PRO 29 2HB PRO 29 8.885 -9.894 -5.056 169 HG2 PRO 29 1HG PRO 29 7.344 -10.639 -7.511 170 HG3 PRO 29 2HG PRO 29 8.965 -11.152 -7.010 171 HD2 PRO 29 1HD PRO 29 6.776 -12.710 -6.676 172 HD3 PRO 29 2HD PRO 29 8.149 -12.739 -5.551 173 H ALA 30 H ALA 30 5.028 -8.892 -3.383 174 HA ALA 30 HA ALA 30 3.222 -8.291 -5.568 175 HB1 ALA 30 3HB ALA 30 2.017 -8.896 -3.701 176 HB2 ALA 30 1HB ALA 30 3.098 -8.045 -2.595 177 HB3 ALA 30 2HB ALA 30 1.964 -7.136 -3.596 178 H GLU 31 H GLU 31 3.844 -6.659 -6.853 179 HA GLU 31 HA GLU 31 4.875 -4.205 -5.601 180 HB2 GLU 31 1HB GLU 31 5.036 -4.977 -8.516 181 HB3 GLU 31 2HB GLU 31 5.881 -3.659 -7.716 182 HG2 GLU 31 1HG GLU 31 6.996 -5.453 -6.295 183 HG3 GLU 31 2HG GLU 31 6.368 -6.606 -7.471 184 H PHE 32 H PHE 32 3.684 -2.414 -5.620 185 HA PHE 32 HA PHE 32 1.428 -2.245 -7.504 186 HB2 PHE 32 1HB PHE 32 0.136 -1.099 -5.696 187 HB3 PHE 32 2HB PHE 32 0.487 -2.790 -5.353 188 HD1 PHE 32 2HD PHE 32 2.311 -3.357 -3.747 189 HD2 PHE 32 1HD PHE 32 0.900 0.621 -4.285 190 HE1 PHE 32 2HE PHE 32 3.324 -2.711 -1.600 191 HE2 PHE 32 1HE PHE 32 1.911 1.274 -2.140 192 HZ PHE 32 HZ PHE 32 3.124 -0.393 -0.793 193 H SER 33 H SER 33 0.977 -0.239 -8.357 194 HA SER 33 HA SER 33 3.117 1.726 -8.086 195 HB2 SER 33 1HB SER 33 2.125 2.761 -10.094 196 HB3 SER 33 2HB SER 33 2.471 1.051 -10.351 197 HG SER 33 HG SER 33 0.374 0.610 -10.392 198 H ILE 34 H ILE 34 2.888 3.684 -7.174 199 HA ILE 34 HA ILE 34 0.206 4.672 -6.546 200 HB ILE 34 HB ILE 34 1.343 5.391 -4.259 201 HG12 ILE 34 1HG1 ILE 34 2.519 2.656 -4.474 202 HG13 ILE 34 2HG1 ILE 34 3.421 4.005 -5.152 203 HG21 ILE 34 1HG2 ILE 34 0.083 3.725 -3.195 204 HG22 ILE 34 2HG2 ILE 34 -0.730 3.984 -4.736 205 HG23 ILE 34 3HG2 ILE 34 0.317 2.582 -4.517 206 HD11 ILE 34 3HD1 ILE 34 2.390 4.324 -2.401 207 HD12 ILE 34 1HD1 ILE 34 3.720 3.191 -2.646 208 HD13 ILE 34 2HD1 ILE 34 3.899 4.880 -3.123 209 H TRP 35 H TRP 35 0.030 6.729 -7.121 210 HA TRP 35 HA TRP 35 2.449 8.411 -7.099 211 HB2 TRP 35 1HB TRP 35 1.455 7.622 -9.400 212 HB3 TRP 35 2HB TRP 35 0.266 8.885 -9.094 213 HD1 TRP 35 HD TRP 35 1.777 11.311 -8.192 214 HE1 TRP 35 1HE TRP 35 3.619 12.434 -9.596 215 HE3 TRP 35 3HE TRP 35 3.023 7.370 -11.201 216 HZ2 TRP 35 2HZ TRP 35 5.368 11.742 -11.700 217 HZ3 TRP 35 3HZ TRP 35 4.790 7.683 -12.884 218 HH2 TRP 35 HH TRP 35 5.936 9.825 -13.128 219 H THR 36 H THR 36 2.259 10.392 -6.201 220 HA THR 36 HA THR 36 -0.366 11.091 -5.079 221 HB THR 36 HB THR 36 0.889 12.547 -3.514 222 HG1 THR 36 1HG THR 36 2.768 12.612 -5.092 223 HG21 THR 36 3HG2 THR 36 2.265 10.481 -2.510 224 HG22 THR 36 1HG2 THR 36 1.269 9.611 -3.676 225 HG23 THR 36 2HG2 THR 36 0.507 10.588 -2.420 226 H ARG 37 H ARG 37 -0.553 11.772 -7.536 227 HA ARG 37 HA ARG 37 0.578 14.389 -8.074 228 HB2 ARG 37 1HB ARG 37 -0.626 14.201 -10.227 229 HB3 ARG 37 2HB ARG 37 0.425 12.825 -9.917 230 HG2 ARG 37 1HG ARG 37 -1.443 11.452 -9.321 231 HG3 ARG 37 2HG ARG 37 -2.539 12.832 -9.400 232 HD2 ARG 37 1HD ARG 37 -0.926 12.032 -11.791 233 HD3 ARG 37 2HD ARG 37 -2.420 11.183 -11.398 234 HE ARG 37 HE ARG 37 -2.156 13.876 -12.411 235 HH11 ARG 37 1HH1 ARG 37 -4.207 11.564 -10.808 236 HH12 ARG 37 2HH1 ARG 37 -5.677 12.372 -11.241 237 HH21 ARG 37 1HH2 ARG 37 -4.085 14.949 -12.987 238 HH22 ARG 37 2HH2 ARG 37 -5.606 14.297 -12.482 239 H GLU 38 H GLU 38 -2.060 13.220 -6.408 240 HA GLU 38 HA GLU 38 -3.858 15.400 -7.098 241 HB2 GLU 38 1HB GLU 38 -4.473 12.916 -6.498 242 HB3 GLU 38 2HB GLU 38 -4.360 13.497 -4.842 243 HG2 GLU 38 1HG GLU 38 -6.163 14.925 -5.079 244 HG3 GLU 38 2HG GLU 38 -6.033 14.960 -6.836 245 H ALA 39 H ALA 39 -1.739 14.402 -4.487 246 HA ALA 39 HA ALA 39 -2.446 16.835 -2.993 247 HB1 ALA 39 3HB ALA 39 -2.548 14.482 -1.935 248 HB2 ALA 39 1HB ALA 39 -0.791 14.609 -1.869 249 HB3 ALA 39 2HB ALA 39 -1.792 15.791 -1.027 250 H GLY 40 H GLY 40 -1.127 17.975 -4.677 251 HA2 GLY 40 1HA GLY 40 0.865 18.848 -5.480 252 HA3 GLY 40 2HA GLY 40 1.167 19.045 -3.761 253 H ALA 41 H ALA 41 2.741 17.870 -2.804 254 HA ALA 41 HA ALA 41 3.745 15.428 -3.894 255 HB1 ALA 41 3HB ALA 41 5.185 16.289 -5.361 256 HB2 ALA 41 1HB ALA 41 4.960 17.925 -4.741 257 HB3 ALA 41 2HB ALA 41 6.117 16.840 -3.969 258 H GLY 42 H GLY 42 5.130 14.350 -2.481 259 HA2 GLY 42 1HA GLY 42 6.436 15.530 -0.282 260 HA3 GLY 42 2HA GLY 42 4.866 14.940 0.244 261 H GLY 43 H GLY 43 6.713 13.762 1.569 262 HA2 GLY 43 1HA GLY 43 7.906 11.509 0.236 263 HA3 GLY 43 2HA GLY 43 7.930 11.835 1.964 264 H LEU 44 H LEU 44 7.632 9.286 1.297 265 HA LEU 44 HA LEU 44 4.905 8.725 2.141 266 HB2 LEU 44 1HB LEU 44 6.093 7.877 -0.458 267 HB3 LEU 44 2HB LEU 44 4.999 6.776 0.379 268 HG LEU 44 HG LEU 44 4.122 9.583 -0.135 269 HD11 LEU 44 1HD1 LEU 44 3.100 8.254 -2.268 270 HD12 LEU 44 2HD1 LEU 44 4.721 7.566 -2.178 271 HD13 LEU 44 3HD1 LEU 44 4.513 9.310 -2.327 272 HD21 LEU 44 3HD2 LEU 44 1.952 8.616 -0.121 273 HD22 LEU 44 1HD2 LEU 44 2.827 7.937 1.250 274 HD23 LEU 44 2HD2 LEU 44 2.608 6.980 -0.216 275 H SER 45 H SER 45 4.985 7.345 3.776 276 HA SER 45 HA SER 45 7.338 5.595 4.023 277 HB2 SER 45 1HB SER 45 5.454 6.655 6.143 278 HB3 SER 45 2HB SER 45 6.762 5.512 6.451 279 HG SER 45 HG SER 45 7.174 7.872 6.761 280 H ILE 46 H ILE 46 7.109 3.425 4.253 281 HA ILE 46 HA ILE 46 4.386 2.332 4.425 282 HB ILE 46 HB ILE 46 6.485 1.250 2.548 283 HG12 ILE 46 1HG1 ILE 46 3.983 2.639 1.649 284 HG13 ILE 46 2HG1 ILE 46 5.417 3.581 2.041 285 HG21 ILE 46 1HG2 ILE 46 5.158 -0.554 2.830 286 HG22 ILE 46 2HG2 ILE 46 3.789 0.407 3.390 287 HG23 ILE 46 3HG2 ILE 46 4.136 0.288 1.666 288 HD11 ILE 46 3HD1 ILE 46 5.216 3.090 -0.354 289 HD12 ILE 46 1HD1 ILE 46 6.685 2.416 0.354 290 HD13 ILE 46 2HD1 ILE 46 5.310 1.367 0.008 291 H ALA 47 H ALA 47 4.175 0.701 5.827 292 HA ALA 47 HA ALA 47 6.546 -0.828 6.622 293 HB1 ALA 47 3HB ALA 47 4.789 0.785 8.430 294 HB2 ALA 47 1HB ALA 47 5.614 -0.655 9.028 295 HB3 ALA 47 2HB ALA 47 6.549 0.690 8.375 296 H VAL 48 H VAL 48 6.041 -2.856 6.119 297 HA VAL 48 HA VAL 48 3.299 -3.782 6.167 298 HB VAL 48 HB VAL 48 5.839 -5.282 5.513 299 HG11 VAL 48 1HG1 VAL 48 4.303 -6.939 6.056 300 HG12 VAL 48 2HG1 VAL 48 2.940 -6.028 5.403 301 HG13 VAL 48 3HG1 VAL 48 4.108 -6.773 4.311 302 HG21 VAL 48 3HG2 VAL 48 5.556 -4.741 3.300 303 HG22 VAL 48 1HG2 VAL 48 3.825 -4.456 3.478 304 HG23 VAL 48 2HG2 VAL 48 4.981 -3.261 4.068 305 H GLU 49 H GLU 49 2.353 -4.845 7.780 306 HA GLU 49 HA GLU 49 4.022 -6.240 9.748 307 HB2 GLU 49 1HB GLU 49 1.785 -4.319 10.419 308 HB3 GLU 49 2HB GLU 49 2.615 -5.347 11.580 309 HG2 GLU 49 1HG GLU 49 4.633 -4.163 11.345 310 HG3 GLU 49 2HG GLU 49 4.071 -3.339 9.892 311 H GLY 50 H GLY 50 3.375 -8.275 9.922 312 HA2 GLY 50 1HA GLY 50 0.522 -8.893 9.955 313 HA3 GLY 50 2HA GLY 50 1.470 -9.631 8.672 314 HA PRO 51 HA PRO 51 1.494 -12.557 12.240 315 HB2 PRO 51 1HB PRO 51 1.169 -14.774 10.707 316 HB3 PRO 51 2HB PRO 51 -0.187 -13.796 11.282 317 HG2 PRO 51 1HG PRO 51 1.154 -13.788 8.605 318 HG3 PRO 51 2HG PRO 51 -0.576 -13.722 8.991 319 HD2 PRO 51 1HD PRO 51 0.853 -11.520 8.326 320 HD3 PRO 51 2HD PRO 51 -0.515 -11.465 9.457 321 H SER 52 H SER 52 3.391 -11.966 9.490 322 HA SER 52 HA SER 52 5.666 -13.288 10.711 323 HB2 SER 52 1HB SER 52 4.402 -14.207 8.172 324 HB3 SER 52 2HB SER 52 6.164 -14.192 8.251 325 HG SER 52 HG SER 52 5.722 -15.336 10.381 326 H LYS 53 H LYS 53 7.712 -12.732 9.595 327 HA LYS 53 HA LYS 53 7.792 -9.948 9.015 328 HB2 LYS 53 1HB LYS 53 9.627 -11.150 10.157 329 HB3 LYS 53 2HB LYS 53 9.953 -12.037 8.673 330 HG2 LYS 53 1HG LYS 53 10.257 -9.691 7.625 331 HG3 LYS 53 2HG LYS 53 10.436 -9.156 9.298 332 HD2 LYS 53 1HD LYS 53 12.009 -11.515 8.392 333 HD3 LYS 53 2HD LYS 53 12.518 -9.913 7.854 334 HE2 LYS 53 1HE LYS 53 11.912 -10.347 10.741 335 HE3 LYS 53 2HE LYS 53 13.435 -10.952 10.090 336 HZ1 LYS 53 3HZ LYS 53 13.598 -8.557 9.132 337 HZ2 LYS 53 1HZ LYS 53 14.013 -8.850 10.746 338 HZ3 LYS 53 2HZ LYS 53 12.507 -8.179 10.368 339 H ALA 54 H ALA 54 7.862 -8.889 7.117 340 HA ALA 54 HA ALA 54 7.955 -10.505 4.653 341 HB1 ALA 54 3HB ALA 54 5.913 -9.778 4.180 342 HB2 ALA 54 1HB ALA 54 5.907 -8.727 5.597 343 HB3 ALA 54 2HB ALA 54 6.567 -8.143 4.069 344 H GLU 55 H GLU 55 9.243 -9.804 3.018 345 HA GLU 55 HA GLU 55 11.270 -7.896 3.638 346 HB2 GLU 55 1HB GLU 55 11.393 -10.010 2.128 347 HB3 GLU 55 2HB GLU 55 10.769 -8.949 0.873 348 HG2 GLU 55 1HG GLU 55 13.156 -8.109 2.445 349 HG3 GLU 55 2HG GLU 55 13.332 -9.301 1.158 350 H ILE 56 H ILE 56 11.671 -5.890 2.711 351 HA ILE 56 HA ILE 56 9.591 -4.742 1.000 352 HB ILE 56 HB ILE 56 10.557 -3.470 3.563 353 HG12 ILE 56 1HG1 ILE 56 7.688 -3.971 2.895 354 HG13 ILE 56 2HG1 ILE 56 8.671 -5.324 3.442 355 HG21 ILE 56 1HG2 ILE 56 8.415 -2.034 2.409 356 HG22 ILE 56 2HG2 ILE 56 10.074 -1.499 2.667 357 HG23 ILE 56 3HG2 ILE 56 9.624 -2.277 1.150 358 HD11 ILE 56 3HD1 ILE 56 8.600 -2.776 4.999 359 HD12 ILE 56 1HD1 ILE 56 7.316 -3.973 5.164 360 HD13 ILE 56 2HD1 ILE 56 8.983 -4.409 5.541 361 H THR 57 H THR 57 10.376 -3.470 -0.569 362 HA THR 57 HA THR 57 13.117 -2.436 -0.301 363 HB THR 57 HB THR 57 12.020 -3.705 -2.817 364 HG1 THR 57 1HG THR 57 12.706 -5.059 -0.858 365 HG21 THR 57 3HG2 THR 57 13.589 -2.032 -3.418 366 HG22 THR 57 1HG2 THR 57 14.462 -3.562 -3.484 367 HG23 THR 57 2HG2 THR 57 14.680 -2.481 -2.108 368 H PHE 58 H PHE 58 13.056 -0.300 -0.457 369 HA PHE 58 HA PHE 58 11.044 0.926 -2.225 370 HB2 PHE 58 1HB PHE 58 10.877 1.394 0.265 371 HB3 PHE 58 2HB PHE 58 12.395 2.272 0.114 372 HD1 PHE 58 1HD PHE 58 9.034 2.118 -1.495 373 HD2 PHE 58 2HD PHE 58 12.298 4.538 -0.227 374 HE1 PHE 58 1HE PHE 58 7.793 4.136 -2.164 375 HE2 PHE 58 2HE PHE 58 11.063 6.559 -0.893 376 HZ PHE 58 HZ PHE 58 8.808 6.360 -1.862 377 H ASP 59 H ASP 59 11.707 2.223 -3.832 378 HA ASP 59 HA ASP 59 14.461 3.222 -3.819 379 HB2 ASP 59 1HB ASP 59 13.220 1.774 -6.169 380 HB3 ASP 59 2HB ASP 59 14.824 2.501 -6.124 381 H ASP 60 H ASP 60 14.631 5.264 -4.518 382 HA ASP 60 HA ASP 60 12.320 6.431 -5.926 383 HB2 ASP 60 1HB ASP 60 13.928 7.440 -3.621 384 HB3 ASP 60 2HB ASP 60 13.288 8.610 -4.772 385 H HIS 61 H HIS 61 12.706 7.717 -7.672 386 HA HIS 61 HA HIS 61 13.861 8.226 -9.597 387 HB2 HIS 61 1HB HIS 61 15.470 9.599 -7.438 388 HB3 HIS 61 2HB HIS 61 15.646 9.937 -9.157 389 HD1 HIS 61 1HD HIS 61 13.309 10.778 -10.336 390 HD2 HIS 61 2HD HIS 61 13.613 11.139 -6.208 391 HE1 HIS 61 1HE HIS 61 11.547 12.445 -9.676 392 H LYS 62 H LYS 62 14.500 5.682 -9.052 393 HA LYS 62 HA LYS 62 17.428 5.544 -9.340 394 HB2 LYS 62 1HB LYS 62 15.423 3.663 -8.148 395 HB3 LYS 62 2HB LYS 62 16.935 3.033 -8.787 396 HG2 LYS 62 1HG LYS 62 16.837 5.245 -6.759 397 HG3 LYS 62 2HG LYS 62 16.872 3.538 -6.313 398 HD2 LYS 62 1HD LYS 62 18.923 4.767 -8.137 399 HD3 LYS 62 2HD LYS 62 19.105 4.762 -6.382 400 HE2 LYS 62 1HE LYS 62 18.563 2.241 -7.920 401 HE3 LYS 62 2HE LYS 62 20.200 2.862 -7.713 402 HZ1 LYS 62 3HZ LYS 62 18.425 1.630 -5.770 403 HZ2 LYS 62 1HZ LYS 62 19.337 2.939 -5.207 404 HZ3 LYS 62 2HZ LYS 62 20.112 1.592 -5.873 405 H ASN 63 H ASN 63 14.376 4.180 -10.532 406 HA ASN 63 HA ASN 63 15.772 3.476 -13.030 407 HB2 ASN 63 1HB ASN 63 13.489 2.065 -11.643 408 HB3 ASN 63 2HB ASN 63 13.973 1.721 -13.301 409 HD21 ASN 63 1HD2 ASN 63 14.397 -0.429 -12.623 410 HD22 ASN 63 2HD2 ASN 63 15.860 -0.817 -11.791 411 H GLY 64 H GLY 64 13.123 5.106 -11.536 412 HA2 GLY 64 1HA GLY 64 11.967 6.888 -12.579 413 HA3 GLY 64 2HA GLY 64 12.366 6.198 -14.145 414 H SER 65 H SER 65 11.488 3.595 -13.818 415 HA SER 65 HA SER 65 8.583 4.015 -13.599 416 HB2 SER 65 1HB SER 65 10.184 2.039 -15.236 417 HB3 SER 65 2HB SER 65 8.429 1.974 -15.074 418 HG SER 65 HG SER 65 8.474 3.296 -16.710 419 H CYS 66 H CYS 66 10.158 3.516 -11.294 420 HA CYS 66 HA CYS 66 9.284 0.793 -10.584 421 HB2 CYS 66 1HB CYS 66 11.131 0.536 -9.176 422 HB3 CYS 66 2HB CYS 66 11.805 1.384 -10.563 423 HG CYS 66 HG CYS 66 12.891 3.209 -9.137 424 H GLY 67 H GLY 67 8.992 0.605 -8.097 425 HA2 GLY 67 1HA GLY 67 7.930 3.018 -6.865 426 HA3 GLY 67 2HA GLY 67 6.750 1.767 -7.230 427 H VAL 68 H VAL 68 6.385 0.279 -5.722 428 HA VAL 68 HA VAL 68 8.464 -0.203 -3.695 429 HB VAL 68 HB VAL 68 5.523 -0.110 -3.042 430 HG11 VAL 68 1HG1 VAL 68 7.819 0.190 -1.140 431 HG12 VAL 68 2HG1 VAL 68 6.156 -0.300 -0.809 432 HG13 VAL 68 3HG1 VAL 68 7.254 -1.404 -1.639 433 HG21 VAL 68 3HG2 VAL 68 7.301 2.085 -3.534 434 HG22 VAL 68 1HG2 VAL 68 5.594 2.109 -3.090 435 HG23 VAL 68 2HG2 VAL 68 6.832 2.064 -1.834 436 H SER 69 H SER 69 8.671 -2.289 -2.965 437 HA SER 69 HA SER 69 6.807 -4.299 -4.012 438 HB2 SER 69 1HB SER 69 8.614 -5.724 -4.763 439 HB3 SER 69 2HB SER 69 8.792 -4.144 -5.525 440 HG SER 69 HG SER 69 10.448 -3.666 -4.142 441 H TYR 70 H TYR 70 6.772 -6.277 -2.841 442 HA TYR 70 HA TYR 70 8.337 -6.557 -0.440 443 HB2 TYR 70 1HB TYR 70 6.616 -6.358 1.163 444 HB3 TYR 70 2HB TYR 70 6.427 -4.952 0.121 445 HD1 TYR 70 2HD TYR 70 4.604 -4.935 -1.594 446 HD2 TYR 70 1HD TYR 70 4.893 -7.976 1.368 447 HE1 TYR 70 2HE TYR 70 2.259 -5.552 -2.007 448 HE2 TYR 70 1HE TYR 70 2.549 -8.602 0.962 449 HH TYR 70 HH TYR 70 0.681 -8.128 -0.139 450 H ILE 71 H ILE 71 8.313 -8.636 0.376 451 HA ILE 71 HA ILE 71 6.622 -10.576 -1.059 452 HB ILE 71 HB ILE 71 9.555 -10.765 -0.413 453 HG12 ILE 71 1HG1 ILE 71 8.088 -11.396 -2.975 454 HG13 ILE 71 2HG1 ILE 71 8.707 -9.791 -2.603 455 HG21 ILE 71 1HG2 ILE 71 8.834 -12.842 0.346 456 HG22 ILE 71 2HG2 ILE 71 7.577 -12.963 -0.884 457 HG23 ILE 71 3HG2 ILE 71 9.272 -13.154 -1.334 458 HD11 ILE 71 3HD1 ILE 71 10.381 -12.285 -2.767 459 HD12 ILE 71 1HD1 ILE 71 10.202 -11.092 -4.053 460 HD13 ILE 71 2HD1 ILE 71 10.960 -10.637 -2.527 461 H ALA 72 H ALA 72 5.551 -12.001 0.172 462 HA ALA 72 HA ALA 72 6.080 -11.967 3.063 463 HB1 ALA 72 3HB ALA 72 3.890 -11.662 3.244 464 HB2 ALA 72 1HB ALA 72 3.676 -11.871 1.506 465 HB3 ALA 72 2HB ALA 72 3.646 -13.275 2.574 466 H GLN 73 H GLN 73 7.314 -13.607 3.707 467 HA GLN 73 HA GLN 73 7.787 -15.966 2.292 468 HB2 GLN 73 1HB GLN 73 8.074 -15.413 5.249 469 HB3 GLN 73 2HB GLN 73 8.736 -16.822 4.429 470 HG2 GLN 73 1HG GLN 73 9.563 -13.959 4.231 471 HG3 GLN 73 2HG GLN 73 10.541 -15.387 4.570 472 HE21 GLN 73 1HE2 GLN 73 10.659 -13.181 2.514 473 HE22 GLN 73 2HE2 GLN 73 10.825 -14.013 1.009 474 H GLU 74 H GLU 74 5.719 -15.457 5.150 475 HA GLU 74 HA GLU 74 4.413 -18.026 4.579 476 HB2 GLU 74 1HB GLU 74 4.280 -16.354 7.093 477 HB3 GLU 74 2HB GLU 74 3.600 -17.959 6.874 478 HG2 GLU 74 1HG GLU 74 6.535 -17.348 6.663 479 HG3 GLU 74 2HG GLU 74 5.744 -17.881 8.145 480 HA PRO 75 HA PRO 75 0.767 -16.002 3.179 481 HB2 PRO 75 1HB PRO 75 -1.052 -17.945 3.714 482 HB3 PRO 75 2HB PRO 75 0.111 -18.055 2.386 483 HG2 PRO 75 1HG PRO 75 0.226 -19.291 5.110 484 HG3 PRO 75 2HG PRO 75 0.627 -20.008 3.539 485 HD2 PRO 75 1HD PRO 75 2.517 -19.081 5.242 486 HD3 PRO 75 2HD PRO 75 2.708 -19.021 3.478 487 H GLY 76 H GLY 76 -0.853 -14.730 3.968 488 HA2 GLY 76 1HA GLY 76 -2.458 -15.032 6.144 489 HA3 GLY 76 2HA GLY 76 -0.978 -14.373 6.824 490 H ASN 77 H ASN 77 -2.940 -12.801 7.315 491 HA ASN 77 HA ASN 77 -3.419 -10.928 5.149 492 HB2 ASN 77 1HB ASN 77 -4.331 -10.819 8.033 493 HB3 ASN 77 2HB ASN 77 -4.911 -9.799 6.720 494 HD21 ASN 77 1HD2 ASN 77 -6.912 -10.363 6.279 495 HD22 ASN 77 2HD2 ASN 77 -7.494 -11.979 6.084 496 H TYR 78 H TYR 78 -1.558 -9.831 4.720 497 HA TYR 78 HA TYR 78 -0.032 -8.651 6.898 498 HB2 TYR 78 1HB TYR 78 0.393 -8.802 3.917 499 HB3 TYR 78 2HB TYR 78 1.420 -7.830 4.966 500 HD1 TYR 78 2HD TYR 78 0.135 -11.316 4.604 501 HD2 TYR 78 1HD TYR 78 3.308 -8.796 5.903 502 HE1 TYR 78 2HE TYR 78 1.505 -13.300 5.091 503 HE2 TYR 78 1HE TYR 78 4.686 -10.773 6.392 504 HH TYR 78 HH TYR 78 3.375 -14.006 6.257 505 H GLU 79 H GLU 79 -0.497 -6.711 7.668 506 HA GLU 79 HA GLU 79 -2.153 -4.892 6.099 507 HB2 GLU 79 1HB GLU 79 -2.393 -5.545 8.656 508 HB3 GLU 79 2HB GLU 79 -1.234 -4.239 8.861 509 HG2 GLU 79 1HG GLU 79 -2.919 -2.922 7.351 510 HG3 GLU 79 2HG GLU 79 -4.054 -4.142 7.922 511 H VAL 80 H VAL 80 -1.210 -3.422 4.861 512 HA VAL 80 HA VAL 80 1.531 -2.588 5.418 513 HB VAL 80 HB VAL 80 -0.226 -1.961 3.041 514 HG11 VAL 80 1HG1 VAL 80 1.343 -0.549 2.350 515 HG12 VAL 80 2HG1 VAL 80 2.136 -0.729 3.917 516 HG13 VAL 80 3HG1 VAL 80 2.597 -1.768 2.569 517 HG21 VAL 80 3HG2 VAL 80 0.783 -4.395 3.661 518 HG22 VAL 80 1HG2 VAL 80 0.506 -3.826 2.016 519 HG23 VAL 80 2HG2 VAL 80 2.115 -3.713 2.729 520 H SER 81 H SER 81 1.842 -0.872 6.662 521 HA SER 81 HA SER 81 -0.242 1.115 7.001 522 HB2 SER 81 1HB SER 81 2.511 1.065 8.251 523 HB3 SER 81 2HB SER 81 1.111 1.989 8.793 524 HG SER 81 HG SER 81 1.779 -0.607 9.286 525 H ILE 82 H ILE 82 -0.401 2.831 5.736 526 HA ILE 82 HA ILE 82 2.049 3.890 4.483 527 HB ILE 82 HB ILE 82 -0.778 3.956 3.425 528 HG12 ILE 82 1HG1 ILE 82 1.712 2.524 2.480 529 HG13 ILE 82 2HG1 ILE 82 0.265 1.779 3.149 530 HG21 ILE 82 1HG2 ILE 82 0.671 4.819 1.364 531 HG22 ILE 82 2HG2 ILE 82 -0.023 5.912 2.560 532 HG23 ILE 82 3HG2 ILE 82 1.672 5.438 2.676 533 HD11 ILE 82 3HD1 ILE 82 -0.772 3.175 1.069 534 HD12 ILE 82 1HD1 ILE 82 0.817 2.735 0.441 535 HD13 ILE 82 2HD1 ILE 82 -0.287 1.480 1.006 536 H LYS 83 H LYS 83 2.558 5.968 4.819 537 HA LYS 83 HA LYS 83 0.524 7.747 5.974 538 HB2 LYS 83 1HB LYS 83 3.240 7.085 7.037 539 HB3 LYS 83 2HB LYS 83 2.604 8.707 7.277 540 HG2 LYS 83 1HG LYS 83 0.495 7.372 8.139 541 HG3 LYS 83 2HG LYS 83 1.708 6.124 8.431 542 HD2 LYS 83 1HD LYS 83 2.182 8.931 9.356 543 HD3 LYS 83 2HD LYS 83 1.162 7.844 10.302 544 HE2 LYS 83 1HE LYS 83 3.907 7.035 9.397 545 HE3 LYS 83 2HE LYS 83 3.663 7.968 10.873 546 HZ1 LYS 83 3HZ LYS 83 2.065 5.544 10.501 547 HZ2 LYS 83 1HZ LYS 83 2.677 6.226 11.923 548 HZ3 LYS 83 2HZ LYS 83 3.700 5.358 10.894 549 H PHE 84 H PHE 84 0.327 9.577 4.873 550 HA PHE 84 HA PHE 84 2.428 10.305 2.968 551 HB2 PHE 84 1HB PHE 84 0.298 10.154 1.924 552 HB3 PHE 84 2HB PHE 84 -0.479 11.073 3.208 553 HD1 PHE 84 2HD PHE 84 1.819 11.306 0.332 554 HD2 PHE 84 1HD PHE 84 -0.555 13.432 3.155 555 HE1 PHE 84 2HE PHE 84 2.131 13.373 -0.967 556 HE2 PHE 84 1HE PHE 84 -0.247 15.501 1.860 557 HZ PHE 84 HZ PHE 84 1.098 15.474 -0.203 558 H ASN 85 H ASN 85 3.933 11.555 3.901 559 HA ASN 85 HA ASN 85 4.910 13.353 4.894 560 HB2 ASN 85 1HB ASN 85 2.236 14.408 4.108 561 HB3 ASN 85 2HB ASN 85 3.199 15.372 5.225 562 HD21 ASN 85 1HD2 ASN 85 2.491 16.233 2.681 563 HD22 ASN 85 2HD2 ASN 85 3.922 16.368 1.722 564 H ASP 86 H ASP 86 4.104 11.342 6.578 565 HA ASP 86 HA ASP 86 3.892 10.900 8.802 566 HB2 ASP 86 1HB ASP 86 3.814 13.880 9.275 567 HB3 ASP 86 2HB ASP 86 4.313 12.619 10.400 568 H GLU 87 H GLU 87 1.592 11.070 7.139 569 HA GLU 87 HA GLU 87 -0.422 11.571 9.200 570 HB2 GLU 87 1HB GLU 87 -0.245 12.912 6.549 571 HB3 GLU 87 2HB GLU 87 -1.841 12.436 7.113 572 HG2 GLU 87 1HG GLU 87 -1.357 13.685 9.232 573 HG3 GLU 87 2HG GLU 87 0.096 14.304 8.449 574 H HIS 88 H HIS 88 -2.111 10.154 9.185 575 HA HIS 88 HA HIS 88 -1.829 7.841 7.448 576 HB2 HIS 88 1HB HIS 88 -3.196 8.426 10.019 577 HB3 HIS 88 2HB HIS 88 -3.927 7.193 8.995 578 HD2 HIS 88 2HD HIS 88 -0.730 7.732 11.157 579 HE1 HIS 88 1HE HIS 88 -0.788 3.706 9.821 580 HE2 HIS 88 2HE HIS 88 0.291 5.365 11.377 581 H ILE 89 H ILE 89 -2.898 7.681 5.602 582 HA ILE 89 HA ILE 89 -5.008 9.491 4.913 583 HB ILE 89 HB ILE 89 -5.149 7.817 2.882 584 HG12 ILE 89 1HG1 ILE 89 -2.293 7.311 3.588 585 HG13 ILE 89 2HG1 ILE 89 -3.525 6.293 4.325 586 HG21 ILE 89 1HG2 ILE 89 -2.573 9.216 2.814 587 HG22 ILE 89 2HG2 ILE 89 -3.985 9.381 1.771 588 HG23 ILE 89 3HG2 ILE 89 -3.938 10.207 3.328 589 HD11 ILE 89 3HD1 ILE 89 -4.188 5.409 2.281 590 HD12 ILE 89 1HD1 ILE 89 -3.430 6.712 1.365 591 HD13 ILE 89 2HD1 ILE 89 -2.431 5.495 2.161 592 HA PRO 90 HA PRO 90 -8.586 7.193 5.997 593 HB2 PRO 90 1HB PRO 90 -10.243 7.701 3.909 594 HB3 PRO 90 2HB PRO 90 -9.832 8.915 5.125 595 HG2 PRO 90 1HG PRO 90 -8.697 8.522 2.384 596 HG3 PRO 90 2HG PRO 90 -9.156 10.028 3.199 597 HD2 PRO 90 1HD PRO 90 -6.587 9.189 3.028 598 HD3 PRO 90 2HD PRO 90 -7.200 10.115 4.413 599 H GLU 91 H GLU 91 -6.578 6.201 3.582 600 HA GLU 91 HA GLU 91 -8.231 3.832 2.992 601 HB2 GLU 91 1HB GLU 91 -6.051 5.041 1.280 602 HB3 GLU 91 2HB GLU 91 -6.995 3.611 0.886 603 HG2 GLU 91 1HG GLU 91 -8.300 6.262 1.375 604 HG3 GLU 91 2HG GLU 91 -7.648 5.826 -0.204 605 H SER 92 H SER 92 -5.872 4.758 4.940 606 HA SER 92 HA SER 92 -4.514 2.153 4.804 607 HB2 SER 92 1HB SER 92 -2.404 3.057 4.945 608 HB3 SER 92 2HB SER 92 -3.201 4.332 4.024 609 HG SER 92 HG SER 92 -2.640 4.274 6.799 610 HA PRO 93 HA PRO 93 -2.616 1.457 6.087 611 HB2 PRO 93 1HB PRO 93 -2.752 -0.874 7.471 612 HB3 PRO 93 2HB PRO 93 -1.851 0.532 8.046 613 HG2 PRO 93 1HG PRO 93 -4.583 -0.413 8.820 614 HG3 PRO 93 2HG PRO 93 -3.277 0.199 9.852 615 HD2 PRO 93 1HD PRO 93 -5.379 1.731 9.102 616 HD3 PRO 93 2HD PRO 93 -3.757 2.401 9.370 617 H TYR 94 H TYR 94 -2.610 -0.441 4.726 618 HA TYR 94 HA TYR 94 -5.303 -1.109 3.789 619 HB2 TYR 94 1HB TYR 94 -2.593 -1.433 2.485 620 HB3 TYR 94 2HB TYR 94 -4.109 -1.958 1.762 621 HD1 TYR 94 2HD TYR 94 -2.517 1.097 3.204 622 HD2 TYR 94 1HD TYR 94 -5.225 -0.510 0.342 623 HE1 TYR 94 2HE TYR 94 -2.831 3.342 2.249 624 HE2 TYR 94 1HE TYR 94 -5.546 1.730 -0.621 625 HH TYR 94 HH TYR 94 -3.544 4.389 0.206 626 H LEU 95 H LEU 95 -5.929 -3.258 3.368 627 HA LEU 95 HA LEU 95 -4.421 -5.258 4.916 628 HB2 LEU 95 1HB LEU 95 -6.674 -4.697 5.768 629 HB3 LEU 95 2HB LEU 95 -7.357 -5.237 4.236 630 HG LEU 95 HG LEU 95 -6.904 -7.486 4.694 631 HD11 LEU 95 1HD1 LEU 95 -4.849 -6.380 6.516 632 HD12 LEU 95 2HD1 LEU 95 -4.769 -7.752 5.411 633 HD13 LEU 95 3HD1 LEU 95 -5.587 -7.918 6.964 634 HD21 LEU 95 3HD2 LEU 95 -8.730 -7.187 6.002 635 HD22 LEU 95 1HD2 LEU 95 -7.973 -5.914 6.960 636 HD23 LEU 95 2HD2 LEU 95 -7.581 -7.604 7.276 637 H VAL 96 H VAL 96 -3.274 -6.528 3.616 638 HA VAL 96 HA VAL 96 -4.460 -7.355 1.049 639 HB VAL 96 HB VAL 96 -1.543 -7.671 1.602 640 HG11 VAL 96 1HG1 VAL 96 -2.555 -6.697 -0.983 641 HG12 VAL 96 2HG1 VAL 96 -1.372 -7.957 -0.626 642 HG13 VAL 96 3HG1 VAL 96 -3.097 -8.308 -0.515 643 HG21 VAL 96 3HG2 VAL 96 -2.984 -5.105 1.312 644 HG22 VAL 96 1HG2 VAL 96 -1.455 -5.465 2.113 645 HG23 VAL 96 2HG2 VAL 96 -1.513 -5.299 0.358 646 HA PRO 97 HA PRO 97 -4.654 -11.267 3.309 647 HB2 PRO 97 1HB PRO 97 -6.384 -12.429 1.569 648 HB3 PRO 97 2HB PRO 97 -6.903 -11.315 2.839 649 HG2 PRO 97 1HG PRO 97 -6.438 -10.787 -0.071 650 HG3 PRO 97 2HG PRO 97 -7.761 -10.228 0.971 651 HD2 PRO 97 1HD PRO 97 -5.656 -8.655 0.315 652 HD3 PRO 97 2HD PRO 97 -6.495 -8.526 1.874 653 H VAL 98 H VAL 98 -2.594 -12.052 2.927 654 HA VAL 98 HA VAL 98 -1.890 -13.000 0.266 655 HB VAL 98 HB VAL 98 -0.245 -13.193 2.790 656 HG11 VAL 98 1HG1 VAL 98 1.603 -13.128 0.987 657 HG12 VAL 98 2HG1 VAL 98 0.710 -14.630 1.232 658 HG13 VAL 98 3HG1 VAL 98 0.313 -13.578 -0.129 659 HG21 VAL 98 3HG2 VAL 98 0.381 -11.049 2.617 660 HG22 VAL 98 1HG2 VAL 98 0.481 -11.126 0.857 661 HG23 VAL 98 2HG2 VAL 98 -1.074 -10.847 1.641 662 H ILE 99 H ILE 99 -1.665 -15.110 -0.321 663 HA ILE 99 HA ILE 99 -2.114 -17.181 1.705 664 HB ILE 99 HB ILE 99 -3.653 -18.383 0.188 665 HG12 ILE 99 1HG1 ILE 99 -4.048 -15.849 -1.359 666 HG13 ILE 99 2HG1 ILE 99 -2.756 -16.950 -1.825 667 HG21 ILE 99 1HG2 ILE 99 -4.335 -16.697 2.025 668 HG22 ILE 99 2HG2 ILE 99 -4.817 -15.669 0.677 669 HG23 ILE 99 3HG2 ILE 99 -5.558 -17.256 0.885 670 HD11 ILE 99 3HD1 ILE 99 -5.677 -17.237 -2.074 671 HD12 ILE 99 1HD1 ILE 99 -4.382 -17.791 -3.134 672 HD13 ILE 99 2HD1 ILE 99 -4.770 -18.693 -1.670 673 H ALA 100 H ALA 100 -1.483 -19.332 1.000 674 HA ALA 100 HA ALA 100 0.907 -19.234 -0.626 675 HB1 ALA 100 3HB ALA 100 1.568 -21.012 0.552 676 HB2 ALA 100 1HB ALA 100 0.167 -20.694 1.577 677 HB3 ALA 100 2HB ALA 100 0.056 -21.873 0.269 678 HA PRO 101 HA PRO 101 -1.445 -20.396 -4.261 679 HB2 PRO 101 1HB PRO 101 0.654 -20.211 -5.974 680 HB3 PRO 101 2HB PRO 101 -0.234 -18.800 -5.385 681 HG2 PRO 101 1HG PRO 101 2.375 -19.925 -4.442 682 HG3 PRO 101 2HG PRO 101 1.920 -18.233 -4.714 683 HD2 PRO 101 1HD PRO 101 1.969 -19.350 -2.248 684 HD3 PRO 101 2HD PRO 101 0.819 -18.073 -2.695 685 H SER 102 H SER 102 -1.876 -22.387 -4.972 686 HA SER 102 HA SER 102 -0.227 -24.599 -4.208 687 HB2 SER 102 1HB SER 102 -2.822 -24.296 -5.683 688 HB3 SER 102 2HB SER 102 -1.979 -25.845 -5.707 689 HG SER 102 HG SER 102 -1.922 -25.311 -3.248 690 H ASP 103 H ASP 103 1.549 -25.173 -5.254 691 HA ASP 103 HA ASP 103 1.575 -24.977 -8.194 692 HB2 ASP 103 1HB ASP 103 3.063 -23.330 -6.831 693 HB3 ASP 103 2HB ASP 103 4.086 -24.739 -6.566 694 H ASP 104 H ASP 104 2.699 -26.602 -9.319 695 HA ASP 104 HA ASP 104 3.400 -28.973 -7.718 696 HB2 ASP 104 1HB ASP 104 1.194 -29.235 -8.843 697 HB3 ASP 104 2HB ASP 104 1.993 -29.004 -10.395 698 H ALA 105 H ALA 105 5.141 -30.185 -8.409 699 HA ALA 105 HA ALA 105 7.061 -28.800 -10.032 700 HB1 ALA 105 3HB ALA 105 7.506 -31.616 -9.194 701 HB2 ALA 105 1HB ALA 105 8.615 -30.244 -9.193 702 HB3 ALA 105 2HB ALA 105 7.381 -30.382 -7.939 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -22.718 20.346 7.314 2 HA2 GLY 1 1HA GLY 1 -20.558 18.851 6.701 3 HA3 GLY 1 2HA GLY 1 -21.112 19.365 5.115 4 H SER 2 H SER 2 -18.905 20.040 7.359 5 HA SER 2 HA SER 2 -19.104 22.950 7.206 6 HB2 SER 2 1HB SER 2 -18.512 21.688 9.353 7 HB3 SER 2 2HB SER 2 -16.944 21.377 8.608 8 HG SER 2 HG SER 2 -16.412 23.289 9.265 9 H SER 3 H SER 3 -17.668 24.243 6.137 10 HA SER 3 HA SER 3 -15.324 23.115 4.866 11 HB2 SER 3 1HB SER 3 -15.993 23.838 2.595 12 HB3 SER 3 2HB SER 3 -17.051 22.575 3.225 13 HG SER 3 HG SER 3 -17.934 24.667 2.207 14 H GLY 4 H GLY 4 -13.732 24.577 4.801 15 HA2 GLY 4 1HA GLY 4 -13.435 27.047 4.038 16 HA3 GLY 4 2HA GLY 4 -14.417 27.355 5.462 17 H SER 5 H SER 5 -11.448 25.659 4.477 18 HA SER 5 HA SER 5 -10.002 26.883 6.659 19 HB2 SER 5 1HB SER 5 -9.196 24.655 7.523 20 HB3 SER 5 2HB SER 5 -10.888 25.010 7.871 21 HG SER 5 HG SER 5 -10.090 22.854 6.830 22 H SER 6 H SER 6 -8.052 27.400 5.935 23 HA SER 6 HA SER 6 -7.128 26.709 3.381 24 HB2 SER 6 1HB SER 6 -4.983 27.753 4.107 25 HB3 SER 6 2HB SER 6 -6.390 28.752 4.464 26 HG SER 6 HG SER 6 -6.259 28.150 6.601 27 H GLY 7 H GLY 7 -5.150 25.555 2.817 28 HA2 GLY 7 1HA GLY 7 -3.401 24.001 3.655 29 HA3 GLY 7 2HA GLY 7 -4.669 23.266 4.625 30 H GLU 8 H GLU 8 -4.816 24.309 1.243 31 HA GLU 8 HA GLU 8 -6.103 21.943 0.401 32 HB2 GLU 8 1HB GLU 8 -4.770 24.205 -1.065 33 HB3 GLU 8 2HB GLU 8 -5.425 22.822 -1.929 34 HG2 GLU 8 1HG GLU 8 -7.610 23.329 -1.356 35 HG3 GLU 8 2HG GLU 8 -7.122 24.333 0.009 36 H GLY 9 H GLY 9 -5.356 20.057 -0.393 37 HA2 GLY 9 1HA GLY 9 -3.835 18.563 -1.349 38 HA3 GLY 9 2HA GLY 9 -2.595 19.806 -1.263 39 H GLY 10 H GLY 10 -3.974 17.055 0.247 40 HA2 GLY 10 1HA GLY 10 -1.794 17.052 2.188 41 HA3 GLY 10 2HA GLY 10 -3.426 17.016 2.838 42 H ALA 11 H ALA 11 -3.220 14.985 3.757 43 HA ALA 11 HA ALA 11 -2.295 12.716 2.300 44 HB1 ALA 11 3HB ALA 11 -2.701 11.482 4.217 45 HB2 ALA 11 1HB ALA 11 -2.392 13.096 4.858 46 HB3 ALA 11 2HB ALA 11 -4.048 12.506 4.715 47 H HIS 12 H HIS 12 -5.542 13.696 3.405 48 HA HIS 12 HA HIS 12 -7.048 11.673 2.338 49 HB2 HIS 12 1HB HIS 12 -8.916 13.242 2.261 50 HB3 HIS 12 2HB HIS 12 -7.966 13.495 3.722 51 HD1 HIS 12 1HD HIS 12 -6.178 15.566 3.505 52 HD2 HIS 12 2HD HIS 12 -9.369 15.507 0.845 53 HE1 HIS 12 1HE HIS 12 -6.348 17.909 2.605 54 H LYS 13 H LYS 13 -5.828 14.548 0.676 55 HA LYS 13 HA LYS 13 -7.128 14.207 -1.769 56 HB2 LYS 13 1HB LYS 13 -4.488 15.463 -1.042 57 HB3 LYS 13 2HB LYS 13 -5.087 15.454 -2.696 58 HG2 LYS 13 1HG LYS 13 -6.839 16.485 -0.515 59 HG3 LYS 13 2HG LYS 13 -5.528 17.494 -1.134 60 HD2 LYS 13 1HD LYS 13 -7.353 18.102 -2.451 61 HD3 LYS 13 2HD LYS 13 -6.487 16.940 -3.460 62 HE2 LYS 13 1HE LYS 13 -8.084 15.310 -3.185 63 HE3 LYS 13 2HE LYS 13 -8.624 15.951 -1.634 64 HZ1 LYS 13 3HZ LYS 13 -9.807 16.337 -4.092 65 HZ2 LYS 13 1HZ LYS 13 -9.089 17.821 -3.716 66 HZ3 LYS 13 2HZ LYS 13 -10.193 17.122 -2.644 67 H VAL 14 H VAL 14 -4.153 12.779 -0.533 68 HA VAL 14 HA VAL 14 -3.260 11.605 -2.928 69 HB VAL 14 HB VAL 14 -2.827 10.672 -0.086 70 HG11 VAL 14 1HG1 VAL 14 -2.403 8.933 -1.808 71 HG12 VAL 14 2HG1 VAL 14 -1.222 10.013 -2.553 72 HG13 VAL 14 3HG1 VAL 14 -0.958 9.409 -0.916 73 HG21 VAL 14 3HG2 VAL 14 -1.423 12.642 -1.850 74 HG22 VAL 14 1HG2 VAL 14 -1.915 12.803 -0.164 75 HG23 VAL 14 2HG2 VAL 14 -0.540 11.783 -0.589 76 H ARG 15 H ARG 15 -3.442 9.488 -3.716 77 HA ARG 15 HA ARG 15 -5.500 7.782 -2.524 78 HB2 ARG 15 1HB ARG 15 -5.471 8.614 -5.432 79 HB3 ARG 15 2HB ARG 15 -6.543 7.411 -4.727 80 HG2 ARG 15 1HG ARG 15 -7.598 9.090 -3.356 81 HG3 ARG 15 2HG ARG 15 -6.460 10.311 -3.927 82 HD2 ARG 15 1HD ARG 15 -7.318 9.795 -6.263 83 HD3 ARG 15 2HD ARG 15 -8.618 8.902 -5.476 84 HE ARG 15 HE ARG 15 -8.362 11.558 -4.460 85 HH11 ARG 15 1HH1 ARG 15 -9.649 9.662 -7.082 86 HH12 ARG 15 2HH1 ARG 15 -10.899 10.800 -7.464 87 HH21 ARG 15 1HH2 ARG 15 -10.003 13.064 -4.954 88 HH22 ARG 15 2HH2 ARG 15 -11.098 12.735 -6.254 89 H ALA 16 H ALA 16 -5.288 5.583 -2.989 90 HA ALA 16 HA ALA 16 -3.047 4.747 -4.668 91 HB1 ALA 16 3HB ALA 16 -2.893 3.131 -2.364 92 HB2 ALA 16 1HB ALA 16 -1.704 4.288 -2.964 93 HB3 ALA 16 2HB ALA 16 -2.938 4.807 -1.815 94 H GLY 17 H GLY 17 -3.618 3.076 -5.900 95 HA2 GLY 17 1HA GLY 17 -5.102 0.848 -4.969 96 HA3 GLY 17 2HA GLY 17 -6.151 1.925 -5.879 97 H GLY 18 H GLY 18 -5.163 -0.837 -6.430 98 HA2 GLY 18 1HA GLY 18 -5.129 -1.033 -9.071 99 HA3 GLY 18 2HA GLY 18 -3.495 -0.449 -8.794 100 HA PRO 19 HA PRO 19 -3.305 -5.053 -8.723 101 HB2 PRO 19 1HB PRO 19 -0.969 -5.195 -10.099 102 HB3 PRO 19 2HB PRO 19 -2.546 -5.085 -10.892 103 HG2 PRO 19 1HG PRO 19 -0.539 -2.927 -10.359 104 HG3 PRO 19 2HG PRO 19 -1.494 -3.231 -11.821 105 HD2 PRO 19 1HD PRO 19 -2.164 -1.332 -10.010 106 HD3 PRO 19 2HD PRO 19 -3.376 -2.224 -10.952 107 H GLY 20 H GLY 20 -2.463 -6.036 -6.997 108 HA2 GLY 20 1HA GLY 20 -0.336 -6.634 -5.867 109 HA3 GLY 20 2HA GLY 20 0.009 -4.911 -5.829 110 H LEU 21 H LEU 21 -2.344 -3.834 -4.977 111 HA LEU 21 HA LEU 21 -2.305 -4.547 -2.188 112 HB2 LEU 21 1HB LEU 21 -3.916 -2.503 -3.708 113 HB3 LEU 21 2HB LEU 21 -3.923 -2.683 -1.955 114 HG LEU 21 HG LEU 21 -1.456 -2.009 -3.551 115 HD11 LEU 21 1HD1 LEU 21 -3.655 -0.305 -2.539 116 HD12 LEU 21 2HD1 LEU 21 -2.589 -0.080 -3.925 117 HD13 LEU 21 3HD1 LEU 21 -2.007 0.275 -2.299 118 HD21 LEU 21 3HD2 LEU 21 -0.440 -2.424 -1.620 119 HD22 LEU 21 1HD2 LEU 21 -1.979 -2.669 -0.795 120 HD23 LEU 21 2HD2 LEU 21 -1.304 -1.045 -0.938 121 H GLU 22 H GLU 22 -4.495 -4.920 -4.905 122 HA GLU 22 HA GLU 22 -6.846 -5.598 -3.622 123 HB2 GLU 22 1HB GLU 22 -7.292 -7.035 -5.657 124 HB3 GLU 22 2HB GLU 22 -6.886 -5.355 -5.980 125 HG2 GLU 22 1HG GLU 22 -5.561 -6.345 -7.523 126 HG3 GLU 22 2HG GLU 22 -4.447 -6.360 -6.157 127 H ARG 23 H ARG 23 -4.077 -7.667 -4.396 128 HA ARG 23 HA ARG 23 -4.598 -9.386 -2.185 129 HB2 ARG 23 1HB ARG 23 -6.216 -10.048 -4.176 130 HB3 ARG 23 2HB ARG 23 -4.775 -10.863 -4.771 131 HG2 ARG 23 1HG ARG 23 -4.662 -11.919 -2.428 132 HG3 ARG 23 2HG ARG 23 -6.340 -11.390 -2.277 133 HD2 ARG 23 1HD ARG 23 -6.486 -13.584 -3.080 134 HD3 ARG 23 2HD ARG 23 -6.729 -12.575 -4.505 135 HE ARG 23 HE ARG 23 -4.010 -13.159 -4.328 136 HH11 ARG 23 1HH1 ARG 23 -7.023 -14.821 -4.853 137 HH12 ARG 23 2HH1 ARG 23 -6.316 -16.068 -5.825 138 HH21 ARG 23 1HH2 ARG 23 -3.066 -14.797 -5.604 139 HH22 ARG 23 2HH2 ARG 23 -4.065 -16.055 -6.250 140 H GLY 24 H GLY 24 -2.901 -10.862 -1.795 141 HA2 GLY 24 1HA GLY 24 -0.575 -10.551 -3.592 142 HA3 GLY 24 2HA GLY 24 -0.417 -10.456 -1.843 143 H GLU 25 H GLU 25 1.202 -12.205 -2.874 144 HA GLU 25 HA GLU 25 0.003 -14.780 -2.171 145 HB2 GLU 25 1HB GLU 25 1.298 -14.075 -4.765 146 HB3 GLU 25 2HB GLU 25 1.577 -15.681 -4.106 147 HG2 GLU 25 1HG GLU 25 -0.577 -16.341 -4.416 148 HG3 GLU 25 2HG GLU 25 -1.220 -14.710 -4.240 149 H ALA 26 H ALA 26 1.152 -15.597 -0.562 150 HA ALA 26 HA ALA 26 3.533 -14.641 0.432 151 HB1 ALA 26 3HB ALA 26 3.556 -16.457 1.871 152 HB2 ALA 26 1HB ALA 26 1.853 -16.334 1.430 153 HB3 ALA 26 2HB ALA 26 2.877 -17.551 0.666 154 H GLY 27 H GLY 27 5.559 -14.651 -0.283 155 HA2 GLY 27 1HA GLY 27 7.517 -15.783 -1.041 156 HA3 GLY 27 2HA GLY 27 6.489 -16.919 -1.901 157 H VAL 28 H VAL 28 4.841 -14.645 -2.945 158 HA VAL 28 HA VAL 28 6.630 -13.968 -5.167 159 HB VAL 28 HB VAL 28 3.620 -13.772 -4.999 160 HG11 VAL 28 1HG1 VAL 28 5.166 -13.699 -7.548 161 HG12 VAL 28 2HG1 VAL 28 3.575 -13.032 -7.176 162 HG13 VAL 28 3HG1 VAL 28 5.030 -12.232 -6.581 163 HG21 VAL 28 3HG2 VAL 28 5.280 -16.020 -5.363 164 HG22 VAL 28 1HG2 VAL 28 3.529 -15.920 -5.551 165 HG23 VAL 28 2HG2 VAL 28 4.582 -15.642 -6.938 166 HA PRO 29 HA PRO 29 6.912 -9.781 -3.787 167 HB2 PRO 29 1HB PRO 29 7.830 -8.695 -6.100 168 HB3 PRO 29 2HB PRO 29 8.842 -9.672 -5.030 169 HG2 PRO 29 1HG PRO 29 7.423 -10.466 -7.544 170 HG3 PRO 29 2HG PRO 29 9.064 -10.874 -7.008 171 HD2 PRO 29 1HD PRO 29 6.984 -12.591 -6.769 172 HD3 PRO 29 2HD PRO 29 8.326 -12.549 -5.608 173 H ALA 30 H ALA 30 4.980 -8.827 -3.446 174 HA ALA 30 HA ALA 30 3.282 -8.200 -5.758 175 HB1 ALA 30 3HB ALA 30 2.350 -9.456 -3.770 176 HB2 ALA 30 1HB ALA 30 2.508 -7.952 -2.862 177 HB3 ALA 30 2HB ALA 30 1.453 -8.024 -4.274 178 H GLU 31 H GLU 31 4.003 -6.316 -6.604 179 HA GLU 31 HA GLU 31 4.316 -4.035 -4.765 180 HB2 GLU 31 1HB GLU 31 5.807 -3.031 -6.386 181 HB3 GLU 31 2HB GLU 31 6.369 -4.651 -6.000 182 HG2 GLU 31 1HG GLU 31 5.603 -5.511 -8.064 183 HG3 GLU 31 2HG GLU 31 4.691 -4.045 -8.414 184 H PHE 32 H PHE 32 3.187 -2.183 -5.127 185 HA PHE 32 HA PHE 32 1.290 -2.218 -7.382 186 HB2 PHE 32 1HB PHE 32 -0.050 -0.652 -5.768 187 HB3 PHE 32 2HB PHE 32 -0.105 -2.396 -5.537 188 HD1 PHE 32 2HD PHE 32 1.588 -3.390 -3.859 189 HD2 PHE 32 1HD PHE 32 0.531 0.730 -4.011 190 HE1 PHE 32 2HE PHE 32 2.370 -3.108 -1.544 191 HE2 PHE 32 1HE PHE 32 1.313 1.019 -1.696 192 HZ PHE 32 HZ PHE 32 2.233 -0.901 -0.459 193 H SER 33 H SER 33 0.694 -0.157 -8.278 194 HA SER 33 HA SER 33 2.947 1.685 -8.312 195 HB2 SER 33 1HB SER 33 0.458 1.507 -10.024 196 HB3 SER 33 2HB SER 33 1.719 2.722 -10.235 197 HG SER 33 HG SER 33 3.065 1.227 -10.983 198 H ILE 34 H ILE 34 2.977 3.299 -6.904 199 HA ILE 34 HA ILE 34 0.438 4.427 -5.960 200 HB ILE 34 HB ILE 34 3.200 4.868 -4.824 201 HG12 ILE 34 1HG1 ILE 34 1.092 3.145 -3.559 202 HG13 ILE 34 2HG1 ILE 34 2.165 2.472 -4.780 203 HG21 ILE 34 1HG2 ILE 34 1.171 6.494 -4.456 204 HG22 ILE 34 2HG2 ILE 34 0.667 5.255 -3.309 205 HG23 ILE 34 3HG2 ILE 34 2.229 6.050 -3.117 206 HD11 ILE 34 3HD1 ILE 34 2.692 2.417 -2.167 207 HD12 ILE 34 1HD1 ILE 34 3.947 2.475 -3.404 208 HD13 ILE 34 2HD1 ILE 34 3.452 3.954 -2.582 209 H TRP 35 H TRP 35 -0.242 6.256 -6.839 210 HA TRP 35 HA TRP 35 1.759 8.208 -7.764 211 HB2 TRP 35 1HB TRP 35 0.558 8.655 -9.737 212 HB3 TRP 35 2HB TRP 35 0.536 6.898 -9.607 213 HD1 TRP 35 HD TRP 35 -1.738 9.902 -9.717 214 HE1 TRP 35 1HE TRP 35 -4.190 9.122 -9.669 215 HE3 TRP 35 3HE TRP 35 -1.000 4.969 -8.596 216 HZ2 TRP 35 2HZ TRP 35 -5.623 6.733 -9.216 217 HZ3 TRP 35 3HZ TRP 35 -2.964 3.504 -8.372 218 HH2 TRP 35 HH TRP 35 -5.226 4.370 -8.675 219 H THR 36 H THR 36 1.551 10.148 -6.869 220 HA THR 36 HA THR 36 -1.088 10.964 -5.851 221 HB THR 36 HB THR 36 0.266 10.258 -3.941 222 HG1 THR 36 1HG THR 36 -0.399 12.964 -4.310 223 HG21 THR 36 3HG2 THR 36 2.415 10.875 -3.559 224 HG22 THR 36 1HG2 THR 36 2.187 12.486 -4.239 225 HG23 THR 36 2HG2 THR 36 2.427 11.104 -5.308 226 H ARG 37 H ARG 37 -1.517 12.386 -7.500 227 HA ARG 37 HA ARG 37 0.443 14.339 -8.327 228 HB2 ARG 37 1HB ARG 37 -2.398 13.749 -9.112 229 HB3 ARG 37 2HB ARG 37 -1.595 15.215 -9.656 230 HG2 ARG 37 1HG ARG 37 -0.040 14.036 -10.932 231 HG3 ARG 37 2HG ARG 37 -0.366 12.519 -10.090 232 HD2 ARG 37 1HD ARG 37 -2.271 12.106 -11.285 233 HD3 ARG 37 2HD ARG 37 -2.605 13.817 -11.550 234 HE ARG 37 HE ARG 37 -1.180 12.082 -13.281 235 HH11 ARG 37 1HH1 ARG 37 -1.244 15.357 -12.104 236 HH12 ARG 37 2HH1 ARG 37 -0.499 16.020 -13.520 237 HH21 ARG 37 1HH2 ARG 37 -0.199 12.942 -15.152 238 HH22 ARG 37 2HH2 ARG 37 0.094 14.644 -15.255 239 H GLU 38 H GLU 38 -2.924 14.755 -7.229 240 HA GLU 38 HA GLU 38 -2.535 17.437 -6.431 241 HB2 GLU 38 1HB GLU 38 -4.695 15.413 -6.123 242 HB3 GLU 38 2HB GLU 38 -4.733 16.808 -5.054 243 HG2 GLU 38 1HG GLU 38 -4.571 18.245 -7.117 244 HG3 GLU 38 2HG GLU 38 -4.853 16.779 -8.054 245 H ALA 39 H ALA 39 -0.632 17.313 -5.119 246 HA ALA 39 HA ALA 39 -1.206 17.196 -2.337 247 HB1 ALA 39 3HB ALA 39 -0.758 14.728 -3.244 248 HB2 ALA 39 1HB ALA 39 0.911 15.225 -2.966 249 HB3 ALA 39 2HB ALA 39 -0.252 15.261 -1.640 250 H GLY 40 H GLY 40 0.726 17.704 -1.006 251 HA2 GLY 40 1HA GLY 40 2.364 19.643 -2.408 252 HA3 GLY 40 2HA GLY 40 2.303 19.387 -0.670 253 H ALA 41 H ALA 41 4.640 19.589 -0.776 254 HA ALA 41 HA ALA 41 6.107 17.448 -2.074 255 HB1 ALA 41 3HB ALA 41 8.039 18.647 -1.625 256 HB2 ALA 41 1HB ALA 41 6.835 19.919 -1.837 257 HB3 ALA 41 2HB ALA 41 7.341 19.443 -0.215 258 H GLY 42 H GLY 42 4.246 16.708 0.022 259 HA2 GLY 42 1HA GLY 42 5.561 16.204 2.469 260 HA3 GLY 42 2HA GLY 42 4.134 15.365 1.881 261 H GLY 43 H GLY 43 5.358 13.613 3.105 262 HA2 GLY 43 1HA GLY 43 7.176 12.257 1.210 263 HA3 GLY 43 2HA GLY 43 7.422 12.205 2.949 264 H LEU 44 H LEU 44 7.398 9.826 2.034 265 HA LEU 44 HA LEU 44 4.709 8.789 2.608 266 HB2 LEU 44 1HB LEU 44 6.454 8.231 0.269 267 HB3 LEU 44 2HB LEU 44 5.523 6.894 0.942 268 HG LEU 44 HG LEU 44 4.269 9.483 0.049 269 HD11 LEU 44 1HD1 LEU 44 3.818 7.210 -1.679 270 HD12 LEU 44 2HD1 LEU 44 5.523 7.653 -1.614 271 HD13 LEU 44 3HD1 LEU 44 4.318 8.853 -2.081 272 HD21 LEU 44 3HD2 LEU 44 3.263 6.796 0.905 273 HD22 LEU 44 1HD2 LEU 44 2.301 7.823 -0.158 274 HD23 LEU 44 2HD2 LEU 44 2.764 8.399 1.444 275 H SER 45 H SER 45 4.629 6.993 3.882 276 HA SER 45 HA SER 45 7.168 5.709 4.612 277 HB2 SER 45 1HB SER 45 5.146 6.946 6.467 278 HB3 SER 45 2HB SER 45 6.202 5.642 7.011 279 HG SER 45 HG SER 45 7.362 7.814 5.693 280 H ILE 46 H ILE 46 6.937 3.668 3.987 281 HA ILE 46 HA ILE 46 4.327 2.360 4.341 282 HB ILE 46 HB ILE 46 6.642 1.497 2.603 283 HG12 ILE 46 1HG1 ILE 46 3.981 2.564 1.674 284 HG13 ILE 46 2HG1 ILE 46 5.356 3.625 1.962 285 HG21 ILE 46 1HG2 ILE 46 5.628 -0.483 2.596 286 HG22 ILE 46 2HG2 ILE 46 4.259 0.149 3.510 287 HG23 ILE 46 3HG2 ILE 46 4.283 0.283 1.752 288 HD11 ILE 46 3HD1 ILE 46 6.569 2.733 0.201 289 HD12 ILE 46 1HD1 ILE 46 5.598 1.262 0.148 290 HD13 ILE 46 2HD1 ILE 46 4.919 2.788 -0.421 291 H ALA 47 H ALA 47 4.117 0.535 5.546 292 HA ALA 47 HA ALA 47 6.466 -0.850 6.543 293 HB1 ALA 47 3HB ALA 47 6.535 0.230 8.485 294 HB2 ALA 47 1HB ALA 47 5.039 1.094 8.128 295 HB3 ALA 47 2HB ALA 47 4.979 -0.504 8.870 296 H VAL 48 H VAL 48 5.966 -2.875 6.009 297 HA VAL 48 HA VAL 48 3.218 -3.806 6.086 298 HB VAL 48 HB VAL 48 5.747 -5.257 5.291 299 HG11 VAL 48 1HG1 VAL 48 3.566 -6.514 6.110 300 HG12 VAL 48 2HG1 VAL 48 3.043 -6.165 4.461 301 HG13 VAL 48 3HG1 VAL 48 4.515 -7.097 4.742 302 HG21 VAL 48 3HG2 VAL 48 4.214 -4.956 3.043 303 HG22 VAL 48 1HG2 VAL 48 3.951 -3.430 3.888 304 HG23 VAL 48 2HG2 VAL 48 5.589 -3.943 3.483 305 H GLU 49 H GLU 49 2.342 -4.746 7.801 306 HA GLU 49 HA GLU 49 4.090 -6.215 9.657 307 HB2 GLU 49 1HB GLU 49 1.797 -4.392 10.405 308 HB3 GLU 49 2HB GLU 49 2.697 -5.400 11.530 309 HG2 GLU 49 1HG GLU 49 4.587 -4.090 11.407 310 HG3 GLU 49 2HG GLU 49 4.146 -3.418 9.838 311 H GLY 50 H GLY 50 3.466 -8.241 10.033 312 HA2 GLY 50 1HA GLY 50 0.649 -8.957 9.994 313 HA3 GLY 50 2HA GLY 50 1.629 -9.684 8.728 314 HA PRO 51 HA PRO 51 1.727 -12.575 12.312 315 HB2 PRO 51 1HB PRO 51 1.550 -14.815 10.787 316 HB3 PRO 51 2HB PRO 51 0.133 -13.901 11.320 317 HG2 PRO 51 1HG PRO 51 1.543 -13.843 8.679 318 HG3 PRO 51 2HG PRO 51 -0.197 -13.859 9.018 319 HD2 PRO 51 1HD PRO 51 1.141 -11.595 8.376 320 HD3 PRO 51 2HD PRO 51 -0.258 -11.600 9.469 321 H SER 52 H SER 52 3.563 -12.206 9.395 322 HA SER 52 HA SER 52 5.898 -13.343 10.749 323 HB2 SER 52 1HB SER 52 4.988 -14.052 7.953 324 HB3 SER 52 2HB SER 52 6.594 -14.416 8.583 325 HG SER 52 HG SER 52 4.205 -15.664 9.053 326 H LYS 53 H LYS 53 7.950 -12.779 9.540 327 HA LYS 53 HA LYS 53 7.990 -9.959 9.090 328 HB2 LYS 53 1HB LYS 53 9.828 -11.514 10.091 329 HB3 LYS 53 2HB LYS 53 10.277 -11.780 8.411 330 HG2 LYS 53 1HG LYS 53 10.681 -9.417 8.105 331 HG3 LYS 53 2HG LYS 53 10.126 -9.086 9.749 332 HD2 LYS 53 1HD LYS 53 12.381 -10.996 9.271 333 HD3 LYS 53 2HD LYS 53 12.673 -9.254 9.270 334 HE2 LYS 53 1HE LYS 53 13.055 -9.766 11.478 335 HE3 LYS 53 2HE LYS 53 11.346 -9.332 11.522 336 HZ1 LYS 53 3HZ LYS 53 11.612 -12.077 10.938 337 HZ2 LYS 53 1HZ LYS 53 10.859 -11.344 12.264 338 HZ3 LYS 53 2HZ LYS 53 12.508 -11.719 12.327 339 H ALA 54 H ALA 54 8.078 -8.829 7.225 340 HA ALA 54 HA ALA 54 8.114 -10.368 4.710 341 HB1 ALA 54 3HB ALA 54 5.880 -9.419 5.307 342 HB2 ALA 54 1HB ALA 54 6.591 -7.810 5.170 343 HB3 ALA 54 2HB ALA 54 6.520 -8.867 3.758 344 H GLU 55 H GLU 55 9.313 -9.577 3.020 345 HA GLU 55 HA GLU 55 11.353 -7.647 3.715 346 HB2 GLU 55 1HB GLU 55 11.623 -9.855 2.357 347 HB3 GLU 55 2HB GLU 55 11.061 -8.889 1.001 348 HG2 GLU 55 1HG GLU 55 12.936 -7.541 1.009 349 HG3 GLU 55 2HG GLU 55 13.332 -7.929 2.683 350 H ILE 56 H ILE 56 11.794 -5.730 2.581 351 HA ILE 56 HA ILE 56 9.698 -4.751 0.779 352 HB ILE 56 HB ILE 56 10.735 -3.239 3.178 353 HG12 ILE 56 1HG1 ILE 56 7.881 -3.967 2.532 354 HG13 ILE 56 2HG1 ILE 56 8.923 -5.023 3.480 355 HG21 ILE 56 1HG2 ILE 56 8.588 -1.890 1.945 356 HG22 ILE 56 2HG2 ILE 56 10.264 -1.366 2.087 357 HG23 ILE 56 3HG2 ILE 56 9.745 -2.288 0.676 358 HD11 ILE 56 3HD1 ILE 56 9.279 -2.808 4.875 359 HD12 ILE 56 1HD1 ILE 56 7.701 -2.422 4.191 360 HD13 ILE 56 2HD1 ILE 56 7.910 -3.884 5.157 361 H THR 57 H THR 57 10.505 -3.803 -0.975 362 HA THR 57 HA THR 57 13.288 -2.834 -0.885 363 HB THR 57 HB THR 57 11.900 -4.098 -3.256 364 HG1 THR 57 1HG THR 57 13.709 -5.088 -1.321 365 HG21 THR 57 3HG2 THR 57 14.657 -4.098 -3.633 366 HG22 THR 57 1HG2 THR 57 14.298 -2.498 -2.985 367 HG23 THR 57 2HG2 THR 57 13.482 -3.062 -4.443 368 H PHE 58 H PHE 58 13.381 -0.705 -1.099 369 HA PHE 58 HA PHE 58 11.281 0.660 -2.640 370 HB2 PHE 58 1HB PHE 58 11.833 1.206 -0.141 371 HB3 PHE 58 2HB PHE 58 13.193 2.091 -0.825 372 HD1 PHE 58 1HD PHE 58 9.544 1.708 -1.529 373 HD2 PHE 58 2HD PHE 58 12.862 4.336 -1.085 374 HE1 PHE 58 1HE PHE 58 8.071 3.633 -1.952 375 HE2 PHE 58 2HE PHE 58 11.395 6.266 -1.507 376 HZ PHE 58 HZ PHE 58 8.997 5.916 -1.941 377 H ASP 59 H ASP 59 12.071 0.565 -4.704 378 HA ASP 59 HA ASP 59 14.809 1.397 -5.238 379 HB2 ASP 59 1HB ASP 59 12.648 0.518 -7.165 380 HB3 ASP 59 2HB ASP 59 14.353 0.745 -7.547 381 H ASP 60 H ASP 60 15.112 3.536 -5.156 382 HA ASP 60 HA ASP 60 13.185 5.258 -6.573 383 HB2 ASP 60 1HB ASP 60 13.148 5.811 -4.238 384 HB3 ASP 60 2HB ASP 60 14.908 5.849 -4.164 385 H HIS 61 H HIS 61 13.923 6.128 -8.383 386 HA HIS 61 HA HIS 61 16.582 7.205 -8.569 387 HB2 HIS 61 1HB HIS 61 16.639 4.636 -9.112 388 HB3 HIS 61 2HB HIS 61 15.959 5.147 -10.654 389 HD1 HIS 61 1HD HIS 61 19.097 5.167 -8.663 390 HD2 HIS 61 2HD HIS 61 17.707 6.660 -12.283 391 HE1 HIS 61 1HE HIS 61 21.148 5.900 -9.921 392 H LYS 62 H LYS 62 16.962 8.096 -10.844 393 HA LYS 62 HA LYS 62 14.860 9.835 -11.501 394 HB2 LYS 62 1HB LYS 62 17.312 10.197 -11.954 395 HB3 LYS 62 2HB LYS 62 17.165 9.071 -13.297 396 HG2 LYS 62 1HG LYS 62 16.980 11.150 -14.305 397 HG3 LYS 62 2HG LYS 62 15.302 10.628 -14.134 398 HD2 LYS 62 1HD LYS 62 14.855 12.157 -12.479 399 HD3 LYS 62 2HD LYS 62 16.536 12.230 -11.944 400 HE2 LYS 62 1HE LYS 62 17.113 13.459 -13.994 401 HE3 LYS 62 2HE LYS 62 15.420 13.412 -14.486 402 HZ1 LYS 62 3HZ LYS 62 16.409 14.688 -11.994 403 HZ2 LYS 62 1HZ LYS 62 14.828 14.732 -12.592 404 HZ3 LYS 62 2HZ LYS 62 16.068 15.521 -13.427 405 H ASN 63 H ASN 63 16.186 7.147 -13.443 406 HA ASN 63 HA ASN 63 13.760 7.130 -15.057 407 HB2 ASN 63 1HB ASN 63 16.163 5.328 -15.367 408 HB3 ASN 63 2HB ASN 63 14.941 5.718 -16.574 409 HD21 ASN 63 1HD2 ASN 63 17.846 6.702 -15.028 410 HD22 ASN 63 2HD2 ASN 63 18.149 8.098 -16.000 411 H GLY 64 H GLY 64 15.398 5.219 -12.629 412 HA2 GLY 64 1HA GLY 64 14.039 2.789 -12.938 413 HA3 GLY 64 2HA GLY 64 14.741 3.373 -11.436 414 H SER 65 H SER 65 13.445 4.373 -9.912 415 HA SER 65 HA SER 65 11.516 4.509 -8.686 416 HB2 SER 65 1HB SER 65 10.071 6.173 -9.442 417 HB3 SER 65 2HB SER 65 11.537 6.515 -10.359 418 HG SER 65 HG SER 65 10.389 4.929 -11.921 419 H CYS 66 H CYS 66 11.790 1.978 -9.735 420 HA CYS 66 HA CYS 66 9.730 0.952 -11.264 421 HB2 CYS 66 1HB CYS 66 11.216 -0.300 -8.948 422 HB3 CYS 66 2HB CYS 66 10.136 -1.194 -10.013 423 HG CYS 66 HG CYS 66 13.286 -0.740 -10.379 424 H GLY 67 H GLY 67 9.847 1.214 -7.708 425 HA2 GLY 67 1HA GLY 67 7.545 2.196 -6.964 426 HA3 GLY 67 2HA GLY 67 6.964 0.673 -7.622 427 H VAL 68 H VAL 68 6.139 0.277 -5.467 428 HA VAL 68 HA VAL 68 8.221 -0.491 -3.532 429 HB VAL 68 HB VAL 68 5.287 0.036 -3.040 430 HG11 VAL 68 1HG1 VAL 68 5.545 -0.622 -0.894 431 HG12 VAL 68 2HG1 VAL 68 6.846 -1.601 -1.577 432 HG13 VAL 68 3HG1 VAL 68 7.212 -0.056 -0.808 433 HG21 VAL 68 3HG2 VAL 68 5.772 2.177 -2.619 434 HG22 VAL 68 1HG2 VAL 68 7.224 1.754 -1.712 435 HG23 VAL 68 2HG2 VAL 68 7.288 1.881 -3.470 436 H SER 69 H SER 69 8.634 -2.582 -3.348 437 HA SER 69 HA SER 69 6.498 -4.503 -4.010 438 HB2 SER 69 1HB SER 69 8.208 -6.050 -4.775 439 HB3 SER 69 2HB SER 69 8.409 -4.510 -5.611 440 HG SER 69 HG SER 69 9.816 -4.865 -3.234 441 H TYR 70 H TYR 70 6.287 -6.354 -2.728 442 HA TYR 70 HA TYR 70 7.945 -6.600 -0.348 443 HB2 TYR 70 1HB TYR 70 6.186 -6.422 1.223 444 HB3 TYR 70 2HB TYR 70 5.991 -5.038 0.153 445 HD1 TYR 70 1HD TYR 70 4.742 -8.492 0.750 446 HD2 TYR 70 2HD TYR 70 3.955 -4.663 -0.928 447 HE1 TYR 70 1HE TYR 70 2.420 -9.172 0.305 448 HE2 TYR 70 2HE TYR 70 1.630 -5.330 -1.377 449 HH TYR 70 HH TYR 70 0.003 -7.258 -0.169 450 H ILE 71 H ILE 71 8.058 -8.661 0.446 451 HA ILE 71 HA ILE 71 6.383 -10.689 -0.881 452 HB ILE 71 HB ILE 71 9.337 -10.834 -0.291 453 HG12 ILE 71 1HG1 ILE 71 7.881 -11.286 -2.896 454 HG13 ILE 71 2HG1 ILE 71 8.499 -9.711 -2.411 455 HG21 ILE 71 1HG2 ILE 71 8.510 -13.143 -1.657 456 HG22 ILE 71 2HG2 ILE 71 9.124 -13.025 -0.009 457 HG23 ILE 71 3HG2 ILE 71 7.390 -12.936 -0.311 458 HD11 ILE 71 3HD1 ILE 71 10.627 -11.497 -2.094 459 HD12 ILE 71 1HD1 ILE 71 9.868 -11.906 -3.632 460 HD13 ILE 71 2HD1 ILE 71 10.428 -10.260 -3.335 461 H ALA 72 H ALA 72 5.507 -12.228 0.394 462 HA ALA 72 HA ALA 72 6.208 -12.153 3.256 463 HB1 ALA 72 3HB ALA 72 3.581 -12.562 1.873 464 HB2 ALA 72 1HB ALA 72 3.841 -13.111 3.529 465 HB3 ALA 72 2HB ALA 72 4.006 -11.400 3.130 466 H GLN 73 H GLN 73 7.655 -13.793 3.450 467 HA GLN 73 HA GLN 73 7.854 -16.141 2.079 468 HB2 GLN 73 1HB GLN 73 8.336 -15.781 5.042 469 HB3 GLN 73 2HB GLN 73 8.982 -17.081 4.051 470 HG2 GLN 73 1HG GLN 73 10.776 -15.693 4.081 471 HG3 GLN 73 2HG GLN 73 9.951 -15.077 2.649 472 HE21 GLN 73 1HE2 GLN 73 10.006 -12.960 2.566 473 HE22 GLN 73 2HE2 GLN 73 9.868 -11.878 3.907 474 H GLU 74 H GLU 74 5.714 -15.441 4.796 475 HA GLU 74 HA GLU 74 4.410 -18.045 4.351 476 HB2 GLU 74 1HB GLU 74 4.594 -16.404 6.882 477 HB3 GLU 74 2HB GLU 74 3.605 -17.847 6.706 478 HG2 GLU 74 1HG GLU 74 6.571 -17.852 6.248 479 HG3 GLU 74 2HG GLU 74 5.846 -18.139 7.829 480 HA PRO 75 HA PRO 75 0.786 -15.876 3.118 481 HB2 PRO 75 1HB PRO 75 -1.072 -17.776 3.675 482 HB3 PRO 75 2HB PRO 75 0.039 -17.891 2.305 483 HG2 PRO 75 1HG PRO 75 0.210 -19.191 4.996 484 HG3 PRO 75 2HG PRO 75 0.534 -19.883 3.396 485 HD2 PRO 75 1HD PRO 75 2.510 -19.054 5.051 486 HD3 PRO 75 2HD PRO 75 2.642 -18.959 3.283 487 H GLY 76 H GLY 76 -1.058 -14.821 3.942 488 HA2 GLY 76 1HA GLY 76 -2.457 -15.079 6.211 489 HA3 GLY 76 2HA GLY 76 -0.959 -14.383 6.813 490 H ASN 77 H ASN 77 -2.969 -12.876 7.386 491 HA ASN 77 HA ASN 77 -3.544 -10.998 5.240 492 HB2 ASN 77 1HB ASN 77 -5.107 -9.979 6.772 493 HB3 ASN 77 2HB ASN 77 -5.316 -11.726 6.845 494 HD21 ASN 77 1HD2 ASN 77 -6.056 -9.755 8.807 495 HD22 ASN 77 2HD2 ASN 77 -5.200 -10.148 10.256 496 H TYR 78 H TYR 78 -1.796 -9.759 4.804 497 HA TYR 78 HA TYR 78 -0.226 -8.620 6.969 498 HB2 TYR 78 1HB TYR 78 0.055 -8.631 3.972 499 HB3 TYR 78 2HB TYR 78 1.057 -7.601 4.987 500 HD1 TYR 78 2HD TYR 78 0.160 -11.129 4.294 501 HD2 TYR 78 1HD TYR 78 2.937 -8.472 6.117 502 HE1 TYR 78 2HE TYR 78 1.707 -13.006 4.661 503 HE2 TYR 78 1HE TYR 78 4.492 -10.342 6.488 504 HH TYR 78 HH TYR 78 3.585 -13.665 5.720 505 H GLU 79 H GLU 79 -0.577 -6.676 7.802 506 HA GLU 79 HA GLU 79 -2.415 -4.863 6.409 507 HB2 GLU 79 1HB GLU 79 -2.622 -5.706 8.914 508 HB3 GLU 79 2HB GLU 79 -1.513 -4.374 9.211 509 HG2 GLU 79 1HG GLU 79 -3.137 -2.878 8.030 510 HG3 GLU 79 2HG GLU 79 -4.265 -4.232 8.013 511 H VAL 80 H VAL 80 -1.363 -3.486 5.125 512 HA VAL 80 HA VAL 80 1.289 -2.533 5.775 513 HB VAL 80 HB VAL 80 -0.528 -1.812 3.471 514 HG11 VAL 80 1HG1 VAL 80 1.026 -0.390 2.697 515 HG12 VAL 80 2HG1 VAL 80 1.594 -0.358 4.368 516 HG13 VAL 80 3HG1 VAL 80 2.363 -1.427 3.194 517 HG21 VAL 80 3HG2 VAL 80 -0.016 -3.891 2.805 518 HG22 VAL 80 1HG2 VAL 80 1.575 -3.222 2.448 519 HG23 VAL 80 2HG2 VAL 80 1.289 -4.048 3.980 520 H SER 81 H SER 81 1.803 -0.642 6.687 521 HA SER 81 HA SER 81 -0.389 1.229 7.276 522 HB2 SER 81 1HB SER 81 0.746 0.258 9.245 523 HB3 SER 81 2HB SER 81 2.278 0.919 8.675 524 HG SER 81 HG SER 81 1.322 3.010 8.852 525 H ILE 82 H ILE 82 -0.420 2.675 5.646 526 HA ILE 82 HA ILE 82 2.114 3.875 4.779 527 HB ILE 82 HB ILE 82 -0.628 3.978 3.520 528 HG12 ILE 82 1HG1 ILE 82 1.934 2.644 2.616 529 HG13 ILE 82 2HG1 ILE 82 0.543 1.815 3.307 530 HG21 ILE 82 1HG2 ILE 82 0.147 5.947 2.729 531 HG22 ILE 82 2HG2 ILE 82 1.832 5.531 3.039 532 HG23 ILE 82 3HG2 ILE 82 1.018 4.902 1.607 533 HD11 ILE 82 3HD1 ILE 82 1.052 2.415 0.610 534 HD12 ILE 82 1HD1 ILE 82 -0.376 1.650 1.307 535 HD13 ILE 82 2HD1 ILE 82 -0.323 3.402 1.106 536 H LYS 83 H LYS 83 2.663 5.842 5.435 537 HA LYS 83 HA LYS 83 0.549 7.638 6.425 538 HB2 LYS 83 1HB LYS 83 3.190 6.912 7.619 539 HB3 LYS 83 2HB LYS 83 2.567 8.537 7.872 540 HG2 LYS 83 1HG LYS 83 0.394 7.233 8.581 541 HG3 LYS 83 2HG LYS 83 1.551 5.934 8.881 542 HD2 LYS 83 1HD LYS 83 1.902 8.715 9.976 543 HD3 LYS 83 2HD LYS 83 1.031 7.450 10.844 544 HE2 LYS 83 1HE LYS 83 3.852 7.124 9.847 545 HE3 LYS 83 2HE LYS 83 3.465 7.740 11.453 546 HZ1 LYS 83 3HZ LYS 83 2.187 5.241 10.686 547 HZ2 LYS 83 1HZ LYS 83 2.833 5.716 12.176 548 HZ3 LYS 83 2HZ LYS 83 3.858 5.173 10.945 549 H PHE 84 H PHE 84 0.359 9.352 5.157 550 HA PHE 84 HA PHE 84 2.647 10.224 3.558 551 HB2 PHE 84 1HB PHE 84 0.434 9.820 2.466 552 HB3 PHE 84 2HB PHE 84 -0.227 11.153 3.408 553 HD1 PHE 84 2HD PHE 84 2.636 10.447 1.121 554 HD2 PHE 84 1HD PHE 84 -0.326 13.217 2.416 555 HE1 PHE 84 2HE PHE 84 3.360 12.029 -0.618 556 HE2 PHE 84 1HE PHE 84 0.393 14.803 0.678 557 HZ PHE 84 HZ PHE 84 2.238 14.211 -0.841 558 H ASN 85 H ASN 85 3.789 11.979 4.040 559 HA ASN 85 HA ASN 85 4.556 13.754 5.260 560 HB2 ASN 85 1HB ASN 85 3.127 15.719 5.178 561 HB3 ASN 85 2HB ASN 85 3.003 14.837 3.658 562 HD21 ASN 85 1HD2 ASN 85 1.021 14.932 2.915 563 HD22 ASN 85 2HD2 ASN 85 -0.427 14.786 3.846 564 H ASP 86 H ASP 86 3.557 11.569 6.841 565 HA ASP 86 HA ASP 86 3.317 11.127 9.068 566 HB2 ASP 86 1HB ASP 86 2.993 14.043 9.694 567 HB3 ASP 86 2HB ASP 86 3.733 12.773 10.666 568 H GLU 87 H GLU 87 1.127 11.056 7.362 569 HA GLU 87 HA GLU 87 -1.026 11.536 9.270 570 HB2 GLU 87 1HB GLU 87 -0.765 12.843 6.610 571 HB3 GLU 87 2HB GLU 87 -2.364 12.292 7.087 572 HG2 GLU 87 1HG GLU 87 -2.145 13.610 9.171 573 HG3 GLU 87 2HG GLU 87 -0.611 14.235 8.570 574 H HIS 88 H HIS 88 -2.532 9.960 9.272 575 HA HIS 88 HA HIS 88 -2.069 7.663 7.576 576 HB2 HIS 88 1HB HIS 88 -3.596 8.223 10.054 577 HB3 HIS 88 2HB HIS 88 -4.226 6.945 9.020 578 HD2 HIS 88 2HD HIS 88 -1.100 7.675 11.251 579 HE1 HIS 88 1HE HIS 88 -1.039 3.589 10.114 580 HE2 HIS 88 2HE HIS 88 -0.028 5.348 11.606 581 H ILE 89 H ILE 89 -2.752 8.130 5.525 582 HA ILE 89 HA ILE 89 -4.926 9.579 4.695 583 HB ILE 89 HB ILE 89 -4.969 8.048 2.673 584 HG12 ILE 89 1HG1 ILE 89 -2.724 6.748 4.228 585 HG13 ILE 89 2HG1 ILE 89 -4.219 5.990 3.690 586 HG21 ILE 89 1HG2 ILE 89 -3.017 8.997 1.769 587 HG22 ILE 89 2HG2 ILE 89 -3.548 10.131 3.010 588 HG23 ILE 89 3HG2 ILE 89 -2.208 9.031 3.336 589 HD11 ILE 89 3HD1 ILE 89 -3.244 6.815 1.331 590 HD12 ILE 89 1HD1 ILE 89 -1.740 6.554 2.214 591 HD13 ILE 89 2HD1 ILE 89 -2.901 5.237 2.037 592 HA PRO 90 HA PRO 90 -8.592 7.397 5.732 593 HB2 PRO 90 1HB PRO 90 -10.168 7.951 3.592 594 HB3 PRO 90 2HB PRO 90 -9.758 9.155 4.820 595 HG2 PRO 90 1HG PRO 90 -8.552 8.722 2.114 596 HG3 PRO 90 2HG PRO 90 -8.990 10.243 2.913 597 HD2 PRO 90 1HD PRO 90 -6.444 9.325 2.822 598 HD3 PRO 90 2HD PRO 90 -7.070 10.272 4.188 599 H GLU 91 H GLU 91 -6.524 6.311 3.432 600 HA GLU 91 HA GLU 91 -8.249 4.026 2.731 601 HB2 GLU 91 1HB GLU 91 -6.356 3.806 0.877 602 HB3 GLU 91 2HB GLU 91 -7.773 4.822 0.647 603 HG2 GLU 91 1HG GLU 91 -6.484 6.773 1.369 604 HG3 GLU 91 2HG GLU 91 -5.063 5.750 1.572 605 H SER 92 H SER 92 -5.656 4.993 4.578 606 HA SER 92 HA SER 92 -4.563 2.255 4.651 607 HB2 SER 92 1HB SER 92 -2.418 3.052 4.874 608 HB3 SER 92 2HB SER 92 -3.106 4.360 3.915 609 HG SER 92 HG SER 92 -2.528 4.288 6.669 610 HA PRO 93 HA PRO 93 -2.749 1.504 6.038 611 HB2 PRO 93 1HB PRO 93 -3.048 -0.798 7.446 612 HB3 PRO 93 2HB PRO 93 -2.120 0.582 8.046 613 HG2 PRO 93 1HG PRO 93 -4.924 -0.242 8.696 614 HG3 PRO 93 2HG PRO 93 -3.646 0.333 9.783 615 HD2 PRO 93 1HD PRO 93 -5.645 1.936 8.907 616 HD3 PRO 93 2HD PRO 93 -4.012 2.544 9.247 617 H TYR 94 H TYR 94 -2.757 -0.631 4.902 618 HA TYR 94 HA TYR 94 -5.442 -1.182 3.825 619 HB2 TYR 94 1HB TYR 94 -2.739 -1.565 2.522 620 HB3 TYR 94 2HB TYR 94 -4.288 -1.956 1.785 621 HD1 TYR 94 2HD TYR 94 -2.280 0.863 3.133 622 HD2 TYR 94 1HD TYR 94 -5.505 -0.320 0.623 623 HE1 TYR 94 2HE TYR 94 -2.436 3.158 2.262 624 HE2 TYR 94 1HE TYR 94 -5.670 1.972 -0.256 625 HH TYR 94 HH TYR 94 -3.309 4.241 0.078 626 H LEU 95 H LEU 95 -6.090 -3.313 3.469 627 HA LEU 95 HA LEU 95 -4.520 -5.330 4.934 628 HB2 LEU 95 1HB LEU 95 -6.779 -4.655 5.849 629 HB3 LEU 95 2HB LEU 95 -7.483 -5.409 4.421 630 HG LEU 95 HG LEU 95 -6.575 -7.572 5.107 631 HD11 LEU 95 1HD1 LEU 95 -4.581 -6.827 6.263 632 HD12 LEU 95 2HD1 LEU 95 -5.566 -7.822 7.334 633 HD13 LEU 95 3HD1 LEU 95 -5.563 -6.068 7.517 634 HD21 LEU 95 3HD2 LEU 95 -8.121 -6.188 7.298 635 HD22 LEU 95 1HD2 LEU 95 -8.006 -7.930 7.050 636 HD23 LEU 95 2HD2 LEU 95 -8.810 -6.921 5.849 637 H VAL 96 H VAL 96 -3.454 -6.557 3.520 638 HA VAL 96 HA VAL 96 -4.856 -7.416 1.073 639 HB VAL 96 HB VAL 96 -1.870 -7.454 1.482 640 HG11 VAL 96 1HG1 VAL 96 -3.476 -8.623 -0.433 641 HG12 VAL 96 2HG1 VAL 96 -2.916 -7.141 -1.211 642 HG13 VAL 96 3HG1 VAL 96 -1.748 -8.302 -0.578 643 HG21 VAL 96 3HG2 VAL 96 -1.871 -5.390 0.048 644 HG22 VAL 96 1HG2 VAL 96 -3.607 -5.276 0.338 645 HG23 VAL 96 2HG2 VAL 96 -2.477 -5.161 1.688 646 HA PRO 97 HA PRO 97 -4.788 -11.361 3.232 647 HB2 PRO 97 1HB PRO 97 -6.423 -12.614 1.466 648 HB3 PRO 97 2HB PRO 97 -7.023 -11.533 2.730 649 HG2 PRO 97 1HG PRO 97 -6.548 -10.972 -0.172 650 HG3 PRO 97 2HG PRO 97 -7.914 -10.492 0.852 651 HD2 PRO 97 1HD PRO 97 -5.893 -8.800 0.230 652 HD3 PRO 97 2HD PRO 97 -6.761 -8.723 1.777 653 H VAL 98 H VAL 98 -2.562 -11.745 2.740 654 HA VAL 98 HA VAL 98 -1.781 -12.695 0.141 655 HB VAL 98 HB VAL 98 -0.279 -12.767 2.762 656 HG11 VAL 98 1HG1 VAL 98 1.076 -14.164 1.660 657 HG12 VAL 98 2HG1 VAL 98 0.322 -13.813 0.104 658 HG13 VAL 98 3HG1 VAL 98 1.573 -12.744 0.741 659 HG21 VAL 98 3HG2 VAL 98 0.784 -10.764 2.098 660 HG22 VAL 98 1HG2 VAL 98 0.121 -10.864 0.467 661 HG23 VAL 98 2HG2 VAL 98 -0.939 -10.504 1.829 662 H ILE 99 H ILE 99 -1.746 -14.727 -0.586 663 HA ILE 99 HA ILE 99 -2.188 -16.903 1.353 664 HB ILE 99 HB ILE 99 -3.442 -18.111 -0.378 665 HG12 ILE 99 1HG1 ILE 99 -3.619 -15.600 -2.002 666 HG13 ILE 99 2HG1 ILE 99 -2.247 -16.679 -2.229 667 HG21 ILE 99 1HG2 ILE 99 -5.386 -16.354 -0.503 668 HG22 ILE 99 2HG2 ILE 99 -4.911 -17.065 1.038 669 HG23 ILE 99 3HG2 ILE 99 -4.353 -15.450 0.603 670 HD11 ILE 99 3HD1 ILE 99 -3.834 -17.278 -3.852 671 HD12 ILE 99 1HD1 ILE 99 -3.929 -18.522 -2.606 672 HD13 ILE 99 2HD1 ILE 99 -5.155 -17.256 -2.684 673 H ALA 100 H ALA 100 -1.273 -18.954 0.822 674 HA ALA 100 HA ALA 100 1.300 -18.726 -0.451 675 HB1 ALA 100 3HB ALA 100 0.933 -21.400 0.124 676 HB2 ALA 100 1HB ALA 100 1.700 -20.204 1.168 677 HB3 ALA 100 2HB ALA 100 -0.013 -20.575 1.362 678 HA PRO 101 HA PRO 101 -0.348 -19.934 -4.431 679 HB2 PRO 101 1HB PRO 101 2.013 -19.720 -5.755 680 HB3 PRO 101 2HB PRO 101 1.022 -18.321 -5.326 681 HG2 PRO 101 1HG PRO 101 3.440 -19.423 -3.948 682 HG3 PRO 101 2HG PRO 101 3.020 -17.734 -4.291 683 HD2 PRO 101 1HD PRO 101 2.654 -18.861 -1.855 684 HD3 PRO 101 2HD PRO 101 1.585 -17.594 -2.492 685 H SER 102 H SER 102 -0.700 -21.966 -5.043 686 HA SER 102 HA SER 102 0.536 -24.209 -4.013 687 HB2 SER 102 1HB SER 102 -0.893 -23.884 -6.661 688 HB3 SER 102 2HB SER 102 -0.474 -25.438 -5.942 689 HG SER 102 HG SER 102 -2.305 -25.247 -4.940 690 H ASP 103 H ASP 103 2.345 -25.318 -4.426 691 HA ASP 103 HA ASP 103 4.179 -24.251 -6.419 692 HB2 ASP 103 1HB ASP 103 4.502 -26.228 -4.163 693 HB3 ASP 103 2HB ASP 103 5.778 -25.915 -5.336 694 H ASP 104 H ASP 104 3.689 -24.979 -8.414 695 HA ASP 104 HA ASP 104 2.641 -27.529 -9.007 696 HB2 ASP 104 1HB ASP 104 4.005 -25.427 -10.682 697 HB3 ASP 104 2HB ASP 104 3.462 -26.954 -11.373 698 H ALA 105 H ALA 105 5.923 -26.244 -9.571 699 HA ALA 105 HA ALA 105 7.003 -28.913 -9.053 700 HB1 ALA 105 3HB ALA 105 7.568 -29.327 -11.157 701 HB2 ALA 105 1HB ALA 105 6.736 -27.853 -11.654 702 HB3 ALA 105 2HB ALA 105 8.452 -27.804 -11.247 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -17.017 24.832 4.105 2 HA2 GLY 1 1HA GLY 1 -15.748 23.322 1.927 3 HA3 GLY 1 2HA GLY 1 -15.359 25.025 2.118 4 H SER 2 H SER 2 -13.222 24.801 2.631 5 HA SER 2 HA SER 2 -12.639 23.365 5.140 6 HB2 SER 2 1HB SER 2 -11.605 22.388 3.046 7 HB3 SER 2 2HB SER 2 -10.661 23.871 2.909 8 HG SER 2 HG SER 2 -10.178 21.728 4.422 9 H SER 3 H SER 3 -10.871 24.260 6.424 10 HA SER 3 HA SER 3 -11.199 26.868 7.152 11 HB2 SER 3 1HB SER 3 -8.663 25.224 7.315 12 HB3 SER 3 2HB SER 3 -8.933 26.730 8.189 13 HG SER 3 HG SER 3 -9.448 24.536 9.203 14 H GLY 4 H GLY 4 -8.478 25.711 5.145 15 HA2 GLY 4 1HA GLY 4 -8.093 28.465 4.202 16 HA3 GLY 4 2HA GLY 4 -6.926 27.158 4.063 17 H SER 5 H SER 5 -8.305 29.078 2.116 18 HA SER 5 HA SER 5 -9.441 27.084 0.280 19 HB2 SER 5 1HB SER 5 -10.181 29.173 -1.002 20 HB3 SER 5 2HB SER 5 -10.965 28.879 0.550 21 HG SER 5 HG SER 5 -8.697 30.550 0.267 22 H SER 6 H SER 6 -6.700 26.999 0.603 23 HA SER 6 HA SER 6 -5.830 27.544 -2.099 24 HB2 SER 6 1HB SER 6 -4.812 29.077 0.252 25 HB3 SER 6 2HB SER 6 -3.657 28.609 -0.997 26 HG SER 6 HG SER 6 -4.569 29.954 -2.365 27 H GLY 7 H GLY 7 -4.297 26.125 -2.785 28 HA2 GLY 7 1HA GLY 7 -3.228 24.073 -2.751 29 HA3 GLY 7 2HA GLY 7 -2.296 24.856 -1.482 30 H GLU 8 H GLU 8 -5.557 23.431 -1.772 31 HA GLU 8 HA GLU 8 -5.384 22.395 0.918 32 HB2 GLU 8 1HB GLU 8 -7.656 21.527 0.477 33 HB3 GLU 8 2HB GLU 8 -7.515 23.247 0.142 34 HG2 GLU 8 1HG GLU 8 -7.553 22.909 -2.180 35 HG3 GLU 8 2HG GLU 8 -7.254 21.180 -2.014 36 H GLY 9 H GLY 9 -3.350 21.331 -0.609 37 HA2 GLY 9 1HA GLY 9 -4.232 18.617 -1.309 38 HA3 GLY 9 2HA GLY 9 -2.696 19.344 -1.758 39 H GLY 10 H GLY 10 -3.823 16.913 -0.059 40 HA2 GLY 10 1HA GLY 10 -1.528 16.877 1.709 41 HA3 GLY 10 2HA GLY 10 -3.082 16.922 2.530 42 H ALA 11 H ALA 11 -2.987 14.906 3.439 43 HA ALA 11 HA ALA 11 -2.227 12.567 2.013 44 HB1 ALA 11 3HB ALA 11 -2.461 11.485 3.984 45 HB2 ALA 11 1HB ALA 11 -2.472 13.129 4.623 46 HB3 ALA 11 2HB ALA 11 -3.992 12.273 4.363 47 H HIS 12 H HIS 12 -5.424 13.372 3.384 48 HA HIS 12 HA HIS 12 -7.006 11.522 2.272 49 HB2 HIS 12 1HB HIS 12 -8.836 13.135 2.244 50 HB3 HIS 12 2HB HIS 12 -7.835 13.379 3.672 51 HD1 HIS 12 1HD HIS 12 -5.704 15.231 2.825 52 HD2 HIS 12 2HD HIS 12 -9.582 15.572 1.374 53 HE1 HIS 12 1HE HIS 12 -5.925 17.612 2.049 54 H LYS 13 H LYS 13 -5.509 14.179 0.549 55 HA LYS 13 HA LYS 13 -6.929 13.621 -1.907 56 HB2 LYS 13 1HB LYS 13 -4.619 15.480 -1.318 57 HB3 LYS 13 2HB LYS 13 -5.461 15.384 -2.860 58 HG2 LYS 13 1HG LYS 13 -7.017 15.929 -0.376 59 HG3 LYS 13 2HG LYS 13 -6.080 17.225 -1.122 60 HD2 LYS 13 1HD LYS 13 -8.133 17.472 -2.152 61 HD3 LYS 13 2HD LYS 13 -7.272 16.454 -3.308 62 HE2 LYS 13 1HE LYS 13 -8.510 14.594 -2.797 63 HE3 LYS 13 2HE LYS 13 -8.841 15.134 -1.152 64 HZ1 LYS 13 3HZ LYS 13 -10.857 15.553 -2.025 65 HZ2 LYS 13 1HZ LYS 13 -10.284 15.687 -3.612 66 HZ3 LYS 13 2HZ LYS 13 -10.132 16.991 -2.544 67 H VAL 14 H VAL 14 -5.477 11.410 -0.862 68 HA VAL 14 HA VAL 14 -3.614 10.974 -3.090 69 HB VAL 14 HB VAL 14 -3.099 10.265 -0.202 70 HG11 VAL 14 1HG1 VAL 14 -1.921 8.517 -0.901 71 HG12 VAL 14 2HG1 VAL 14 -2.276 8.905 -2.585 72 HG13 VAL 14 3HG1 VAL 14 -0.872 9.618 -1.792 73 HG21 VAL 14 3HG2 VAL 14 -1.213 11.698 -0.350 74 HG22 VAL 14 1HG2 VAL 14 -1.390 11.861 -2.097 75 HG23 VAL 14 2HG2 VAL 14 -2.577 12.594 -1.018 76 H ARG 15 H ARG 15 -4.322 9.327 -4.260 77 HA ARG 15 HA ARG 15 -5.810 7.173 -2.909 78 HB2 ARG 15 1HB ARG 15 -6.066 8.384 -5.644 79 HB3 ARG 15 2HB ARG 15 -6.631 6.746 -5.340 80 HG2 ARG 15 1HG ARG 15 -8.365 7.435 -4.031 81 HG3 ARG 15 2HG ARG 15 -7.528 8.895 -3.499 82 HD2 ARG 15 1HD ARG 15 -9.355 9.509 -4.943 83 HD3 ARG 15 2HD ARG 15 -7.830 9.844 -5.762 84 HE ARG 15 HE ARG 15 -8.961 7.269 -6.380 85 HH11 ARG 15 1HH1 ARG 15 -8.864 10.647 -7.213 86 HH12 ARG 15 2HH1 ARG 15 -9.381 10.393 -8.847 87 HH21 ARG 15 1HH2 ARG 15 -9.642 6.922 -8.530 88 HH22 ARG 15 2HH2 ARG 15 -9.823 8.274 -9.595 89 H ALA 16 H ALA 16 -4.904 5.227 -2.863 90 HA ALA 16 HA ALA 16 -2.575 4.726 -4.578 91 HB1 ALA 16 3HB ALA 16 -1.861 3.112 -2.977 92 HB2 ALA 16 1HB ALA 16 -2.333 4.563 -2.091 93 HB3 ALA 16 2HB ALA 16 -3.413 3.169 -2.141 94 H GLY 17 H GLY 17 -2.673 3.288 -6.182 95 HA2 GLY 17 1HA GLY 17 -4.712 1.174 -6.078 96 HA3 GLY 17 2HA GLY 17 -4.658 2.233 -7.480 97 H GLY 18 H GLY 18 -4.432 -0.253 -8.166 98 HA2 GLY 18 1HA GLY 18 -2.732 -1.029 -9.775 99 HA3 GLY 18 2HA GLY 18 -1.534 -0.698 -8.533 100 HA PRO 19 HA PRO 19 -3.045 -5.186 -8.431 101 HB2 PRO 19 1HB PRO 19 -0.748 -6.349 -9.291 102 HB3 PRO 19 2HB PRO 19 -2.039 -5.845 -10.388 103 HG2 PRO 19 1HG PRO 19 0.516 -4.445 -9.700 104 HG3 PRO 19 2HG PRO 19 -0.258 -4.649 -11.283 105 HD2 PRO 19 1HD PRO 19 -0.445 -2.356 -9.856 106 HD3 PRO 19 2HD PRO 19 -1.747 -2.928 -10.918 107 H GLY 20 H GLY 20 -2.564 -6.584 -6.758 108 HA2 GLY 20 1HA GLY 20 -0.974 -7.486 -5.157 109 HA3 GLY 20 2HA GLY 20 -0.223 -5.899 -5.095 110 H LEU 21 H LEU 21 -1.978 -4.125 -4.500 111 HA LEU 21 HA LEU 21 -2.594 -4.425 -1.831 112 HB2 LEU 21 1HB LEU 21 -3.838 -2.659 -3.925 113 HB3 LEU 21 2HB LEU 21 -4.227 -2.535 -2.211 114 HG LEU 21 HG LEU 21 -1.426 -2.221 -3.267 115 HD11 LEU 21 1HD1 LEU 21 -3.687 -0.321 -3.268 116 HD12 LEU 21 2HD1 LEU 21 -2.262 -0.396 -4.303 117 HD13 LEU 21 3HD1 LEU 21 -2.139 0.291 -2.684 118 HD21 LEU 21 3HD2 LEU 21 -0.867 -1.497 -1.164 119 HD22 LEU 21 1HD2 LEU 21 -2.100 -2.697 -0.777 120 HD23 LEU 21 2HD2 LEU 21 -2.511 -0.982 -0.783 121 H GLU 22 H GLU 22 -4.622 -5.091 -4.646 122 HA GLU 22 HA GLU 22 -7.021 -5.600 -3.281 123 HB2 GLU 22 1HB GLU 22 -7.667 -6.873 -5.311 124 HB3 GLU 22 2HB GLU 22 -7.009 -5.285 -5.675 125 HG2 GLU 22 1HG GLU 22 -4.861 -6.297 -6.234 126 HG3 GLU 22 2HG GLU 22 -5.516 -7.891 -5.866 127 H ARG 23 H ARG 23 -4.360 -7.753 -4.197 128 HA ARG 23 HA ARG 23 -4.930 -9.514 -2.012 129 HB2 ARG 23 1HB ARG 23 -6.507 -10.087 -4.064 130 HB3 ARG 23 2HB ARG 23 -5.064 -10.903 -4.650 131 HG2 ARG 23 1HG ARG 23 -5.023 -12.041 -2.347 132 HG3 ARG 23 2HG ARG 23 -6.691 -11.485 -2.207 133 HD2 ARG 23 1HD ARG 23 -6.705 -13.722 -3.072 134 HD3 ARG 23 2HD ARG 23 -7.188 -12.621 -4.361 135 HE ARG 23 HE ARG 23 -4.523 -12.884 -4.740 136 HH11 ARG 23 1HH1 ARG 23 -7.126 -15.167 -4.369 137 HH12 ARG 23 2HH1 ARG 23 -6.379 -16.377 -5.361 138 HH21 ARG 23 1HH2 ARG 23 -3.531 -14.469 -6.047 139 HH22 ARG 23 2HH2 ARG 23 -4.335 -15.978 -6.314 140 H GLY 24 H GLY 24 -3.156 -10.684 -1.437 141 HA2 GLY 24 1HA GLY 24 -0.833 -10.504 -3.257 142 HA3 GLY 24 2HA GLY 24 -0.706 -10.377 -1.509 143 H GLU 25 H GLU 25 0.917 -12.148 -2.613 144 HA GLU 25 HA GLU 25 -0.282 -14.716 -1.855 145 HB2 GLU 25 1HB GLU 25 1.161 -14.056 -4.395 146 HB3 GLU 25 2HB GLU 25 1.289 -15.675 -3.721 147 HG2 GLU 25 1HG GLU 25 -0.487 -15.983 -5.094 148 HG3 GLU 25 2HG GLU 25 -1.338 -15.474 -3.636 149 H ALA 26 H ALA 26 1.185 -16.257 -1.015 150 HA ALA 26 HA ALA 26 3.373 -15.089 0.426 151 HB1 ALA 26 3HB ALA 26 3.124 -18.025 0.389 152 HB2 ALA 26 1HB ALA 26 3.266 -16.910 1.749 153 HB3 ALA 26 2HB ALA 26 1.707 -17.141 0.957 154 H GLY 27 H GLY 27 5.487 -15.113 -0.053 155 HA2 GLY 27 1HA GLY 27 7.473 -15.644 -1.091 156 HA3 GLY 27 2HA GLY 27 6.710 -17.114 -1.677 157 H VAL 28 H VAL 28 5.027 -14.247 -2.423 158 HA VAL 28 HA VAL 28 6.205 -14.212 -5.125 159 HB VAL 28 HB VAL 28 3.286 -13.935 -4.399 160 HG11 VAL 28 1HG1 VAL 28 3.653 -14.140 -7.190 161 HG12 VAL 28 2HG1 VAL 28 3.013 -12.774 -6.271 162 HG13 VAL 28 3HG1 VAL 28 4.741 -12.877 -6.615 163 HG21 VAL 28 3HG2 VAL 28 3.709 -16.215 -4.410 164 HG22 VAL 28 1HG2 VAL 28 3.206 -15.912 -6.074 165 HG23 VAL 28 2HG2 VAL 28 4.917 -16.087 -5.689 166 HA PRO 29 HA PRO 29 6.854 -9.928 -4.139 167 HB2 PRO 29 1HB PRO 29 7.807 -9.202 -6.576 168 HB3 PRO 29 2HB PRO 29 8.771 -10.097 -5.394 169 HG2 PRO 29 1HG PRO 29 7.277 -11.115 -7.780 170 HG3 PRO 29 2HG PRO 29 8.896 -11.551 -7.204 171 HD2 PRO 29 1HD PRO 29 6.720 -13.094 -6.739 172 HD3 PRO 29 2HD PRO 29 8.075 -12.986 -5.598 173 H ALA 30 H ALA 30 5.137 -8.630 -3.966 174 HA ALA 30 HA ALA 30 3.514 -8.129 -6.377 175 HB1 ALA 30 3HB ALA 30 1.584 -7.793 -4.958 176 HB2 ALA 30 1HB ALA 30 2.286 -9.381 -4.647 177 HB3 ALA 30 2HB ALA 30 2.564 -8.056 -3.516 178 H GLU 31 H GLU 31 3.960 -6.178 -7.155 179 HA GLU 31 HA GLU 31 4.477 -3.991 -5.249 180 HB2 GLU 31 1HB GLU 31 5.731 -2.894 -7.076 181 HB3 GLU 31 2HB GLU 31 6.425 -4.443 -6.618 182 HG2 GLU 31 1HG GLU 31 6.507 -4.608 -8.887 183 HG3 GLU 31 2HG GLU 31 4.935 -5.340 -8.576 184 H PHE 32 H PHE 32 3.567 -1.947 -5.666 185 HA PHE 32 HA PHE 32 1.480 -1.842 -7.725 186 HB2 PHE 32 1HB PHE 32 -0.041 -0.744 -6.054 187 HB3 PHE 32 2HB PHE 32 0.268 -2.450 -5.745 188 HD1 PHE 32 2HD PHE 32 2.010 -3.051 -4.003 189 HD2 PHE 32 1HD PHE 32 0.400 0.866 -4.429 190 HE1 PHE 32 2HE PHE 32 2.743 -2.506 -1.719 191 HE2 PHE 32 1HE PHE 32 1.132 1.418 -2.146 192 HZ PHE 32 HZ PHE 32 2.303 -0.270 -0.787 193 H SER 33 H SER 33 0.804 0.315 -8.284 194 HA SER 33 HA SER 33 2.962 2.259 -7.875 195 HB2 SER 33 1HB SER 33 2.243 3.316 -9.905 196 HB3 SER 33 2HB SER 33 2.290 1.580 -10.213 197 HG SER 33 HG SER 33 0.189 1.558 -10.450 198 H ILE 34 H ILE 34 2.611 4.272 -7.050 199 HA ILE 34 HA ILE 34 -0.077 4.775 -5.956 200 HB ILE 34 HB ILE 34 2.555 5.835 -4.927 201 HG12 ILE 34 1HG1 ILE 34 0.798 3.814 -3.553 202 HG13 ILE 34 2HG1 ILE 34 2.053 3.315 -4.682 203 HG21 ILE 34 1HG2 ILE 34 0.472 7.222 -4.578 204 HG22 ILE 34 2HG2 ILE 34 -0.129 5.904 -3.574 205 HG23 ILE 34 3HG2 ILE 34 1.346 6.757 -3.118 206 HD11 ILE 34 3HD1 ILE 34 3.005 5.191 -2.674 207 HD12 ILE 34 1HD1 ILE 34 2.368 3.695 -1.991 208 HD13 ILE 34 2HD1 ILE 34 3.666 3.638 -3.185 209 H TRP 35 H TRP 35 -1.162 6.435 -6.766 210 HA TRP 35 HA TRP 35 0.295 8.431 -8.350 211 HB2 TRP 35 1HB TRP 35 -2.644 7.715 -8.289 212 HB3 TRP 35 2HB TRP 35 -1.946 8.989 -9.285 213 HD1 TRP 35 HD TRP 35 0.516 7.599 -10.544 214 HE1 TRP 35 1HE TRP 35 0.244 5.629 -12.178 215 HE3 TRP 35 3HE TRP 35 -4.171 6.065 -9.194 216 HZ2 TRP 35 2HZ TRP 35 -1.700 3.682 -12.812 217 HZ3 TRP 35 3HZ TRP 35 -5.164 4.141 -10.363 218 HH2 TRP 35 HH TRP 35 -3.954 2.977 -12.135 219 H THR 36 H THR 36 0.832 10.197 -7.253 220 HA THR 36 HA THR 36 -1.167 11.368 -5.432 221 HB THR 36 HB THR 36 0.679 12.222 -4.032 222 HG1 THR 36 1HG THR 36 2.369 10.480 -5.518 223 HG21 THR 36 3HG2 THR 36 -0.475 9.887 -3.781 224 HG22 THR 36 1HG2 THR 36 0.930 10.287 -2.793 225 HG23 THR 36 2HG2 THR 36 1.118 9.271 -4.223 226 H ARG 37 H ARG 37 -1.941 12.856 -6.903 227 HA ARG 37 HA ARG 37 0.003 14.862 -7.844 228 HB2 ARG 37 1HB ARG 37 -0.933 13.725 -9.742 229 HB3 ARG 37 2HB ARG 37 -2.565 13.914 -9.117 230 HG2 ARG 37 1HG ARG 37 -2.671 16.143 -9.686 231 HG3 ARG 37 2HG ARG 37 -0.917 16.332 -9.693 232 HD2 ARG 37 1HD ARG 37 -0.787 14.961 -11.723 233 HD3 ARG 37 2HD ARG 37 -2.543 14.796 -11.716 234 HE ARG 37 HE ARG 37 -1.797 17.527 -11.705 235 HH11 ARG 37 1HH1 ARG 37 -1.975 14.735 -13.777 236 HH12 ARG 37 2HH1 ARG 37 -2.169 15.663 -15.228 237 HH21 ARG 37 1HH2 ARG 37 -2.052 18.760 -13.608 238 HH22 ARG 37 2HH2 ARG 37 -2.212 17.951 -15.131 239 H GLU 38 H GLU 38 -3.461 14.501 -7.060 240 HA GLU 38 HA GLU 38 -4.084 17.170 -6.721 241 HB2 GLU 38 1HB GLU 38 -5.167 14.735 -5.306 242 HB3 GLU 38 2HB GLU 38 -5.866 16.338 -5.134 243 HG2 GLU 38 1HG GLU 38 -5.719 14.643 -7.606 244 HG3 GLU 38 2HG GLU 38 -7.156 15.193 -6.745 245 H ALA 39 H ALA 39 -2.096 15.180 -4.777 246 HA ALA 39 HA ALA 39 -2.164 17.147 -2.586 247 HB1 ALA 39 3HB ALA 39 -1.174 14.298 -2.530 248 HB2 ALA 39 1HB ALA 39 -1.220 15.411 -1.162 249 HB3 ALA 39 2HB ALA 39 -2.723 14.866 -1.906 250 H GLY 40 H GLY 40 -0.812 18.205 -4.527 251 HA2 GLY 40 1HA GLY 40 1.268 18.756 -5.410 252 HA3 GLY 40 2HA GLY 40 1.633 18.910 -3.698 253 H ALA 41 H ALA 41 3.181 17.655 -2.870 254 HA ALA 41 HA ALA 41 3.719 15.006 -3.682 255 HB1 ALA 41 3HB ALA 41 4.998 17.089 -5.236 256 HB2 ALA 41 1HB ALA 41 6.174 16.025 -4.464 257 HB3 ALA 41 2HB ALA 41 4.932 15.348 -5.517 258 H GLY 42 H GLY 42 4.946 13.983 -2.179 259 HA2 GLY 42 1HA GLY 42 6.836 15.417 -0.535 260 HA3 GLY 42 2HA GLY 42 5.371 14.953 0.319 261 H GLY 43 H GLY 43 6.684 13.638 1.698 262 HA2 GLY 43 1HA GLY 43 8.138 11.417 0.558 263 HA3 GLY 43 2HA GLY 43 7.907 11.749 2.268 264 H LEU 44 H LEU 44 7.744 9.197 1.617 265 HA LEU 44 HA LEU 44 4.932 8.597 2.046 266 HB2 LEU 44 1HB LEU 44 6.472 7.825 -0.370 267 HB3 LEU 44 2HB LEU 44 5.387 6.622 0.324 268 HG LEU 44 HG LEU 44 4.350 9.358 -0.281 269 HD11 LEU 44 1HD1 LEU 44 5.187 9.037 -2.383 270 HD12 LEU 44 2HD1 LEU 44 3.656 8.174 -2.526 271 HD13 LEU 44 3HD1 LEU 44 5.150 7.278 -2.252 272 HD21 LEU 44 3HD2 LEU 44 3.157 7.354 0.920 273 HD22 LEU 44 1HD2 LEU 44 2.924 6.780 -0.732 274 HD23 LEU 44 2HD2 LEU 44 2.289 8.352 -0.247 275 H SER 45 H SER 45 4.952 7.440 3.849 276 HA SER 45 HA SER 45 7.192 5.603 4.340 277 HB2 SER 45 1HB SER 45 6.538 7.447 6.017 278 HB3 SER 45 2HB SER 45 5.143 6.433 6.388 279 HG SER 45 HG SER 45 7.805 5.470 6.462 280 H ILE 46 H ILE 46 6.894 3.460 4.428 281 HA ILE 46 HA ILE 46 4.158 2.415 4.626 282 HB ILE 46 HB ILE 46 6.179 1.383 2.637 283 HG12 ILE 46 1HG1 ILE 46 3.653 2.928 2.041 284 HG13 ILE 46 2HG1 ILE 46 5.242 3.679 2.127 285 HG21 ILE 46 1HG2 ILE 46 3.530 0.615 2.030 286 HG22 ILE 46 2HG2 ILE 46 4.875 -0.407 2.530 287 HG23 ILE 46 3HG2 ILE 46 3.795 0.282 3.741 288 HD11 ILE 46 3HD1 ILE 46 5.324 1.399 0.394 289 HD12 ILE 46 1HD1 ILE 46 4.028 2.493 -0.088 290 HD13 ILE 46 2HD1 ILE 46 5.683 3.090 0.044 291 H ALA 47 H ALA 47 3.966 0.785 6.024 292 HA ALA 47 HA ALA 47 6.373 -0.746 6.746 293 HB1 ALA 47 3HB ALA 47 6.120 0.778 8.539 294 HB2 ALA 47 1HB ALA 47 4.378 0.511 8.614 295 HB3 ALA 47 2HB ALA 47 5.489 -0.767 9.109 296 H VAL 48 H VAL 48 6.006 -2.761 6.091 297 HA VAL 48 HA VAL 48 3.303 -3.835 6.045 298 HB VAL 48 HB VAL 48 5.906 -5.075 5.141 299 HG11 VAL 48 1HG1 VAL 48 3.932 -6.588 5.837 300 HG12 VAL 48 2HG1 VAL 48 3.171 -6.010 4.353 301 HG13 VAL 48 3HG1 VAL 48 4.710 -6.871 4.281 302 HG21 VAL 48 3HG2 VAL 48 5.546 -4.248 3.056 303 HG22 VAL 48 1HG2 VAL 48 3.791 -4.271 3.231 304 HG23 VAL 48 2HG2 VAL 48 4.735 -2.979 3.973 305 H GLU 49 H GLU 49 2.500 -4.821 7.768 306 HA GLU 49 HA GLU 49 4.329 -6.373 9.480 307 HB2 GLU 49 1HB GLU 49 2.065 -4.544 10.224 308 HB3 GLU 49 2HB GLU 49 2.565 -5.839 11.302 309 HG2 GLU 49 1HG GLU 49 4.562 -3.883 10.247 310 HG3 GLU 49 2HG GLU 49 3.543 -3.477 11.626 311 H GLY 50 H GLY 50 3.475 -8.273 10.449 312 HA2 GLY 50 1HA GLY 50 0.848 -9.217 10.003 313 HA3 GLY 50 2HA GLY 50 1.921 -9.869 8.773 314 HA PRO 51 HA PRO 51 1.996 -12.758 12.384 315 HB2 PRO 51 1HB PRO 51 1.824 -15.009 10.877 316 HB3 PRO 51 2HB PRO 51 0.405 -14.102 11.415 317 HG2 PRO 51 1HG PRO 51 1.791 -14.053 8.762 318 HG3 PRO 51 2HG PRO 51 0.054 -14.078 9.116 319 HD2 PRO 51 1HD PRO 51 1.371 -11.809 8.446 320 HD3 PRO 51 2HD PRO 51 -0.019 -11.816 9.552 321 H SER 52 H SER 52 3.827 -12.331 9.487 322 HA SER 52 HA SER 52 6.166 -13.496 10.810 323 HB2 SER 52 1HB SER 52 5.032 -15.070 9.066 324 HB3 SER 52 2HB SER 52 5.752 -13.987 7.875 325 HG SER 52 HG SER 52 6.923 -15.908 9.401 326 H LYS 53 H LYS 53 8.158 -13.031 9.227 327 HA LYS 53 HA LYS 53 8.272 -10.159 9.038 328 HB2 LYS 53 1HB LYS 53 10.143 -11.701 9.848 329 HB3 LYS 53 2HB LYS 53 10.405 -12.098 8.154 330 HG2 LYS 53 1HG LYS 53 10.857 -9.749 7.667 331 HG3 LYS 53 2HG LYS 53 10.584 -9.344 9.364 332 HD2 LYS 53 1HD LYS 53 12.545 -10.338 10.054 333 HD3 LYS 53 2HD LYS 53 12.597 -11.437 8.674 334 HE2 LYS 53 1HE LYS 53 12.937 -8.469 8.358 335 HE3 LYS 53 2HE LYS 53 14.296 -9.525 8.739 336 HZ1 LYS 53 3HZ LYS 53 13.442 -10.845 6.700 337 HZ2 LYS 53 1HZ LYS 53 14.365 -9.448 6.459 338 HZ3 LYS 53 2HZ LYS 53 12.683 -9.392 6.284 339 H ALA 54 H ALA 54 8.227 -8.921 7.246 340 HA ALA 54 HA ALA 54 7.996 -10.303 4.652 341 HB1 ALA 54 3HB ALA 54 6.467 -8.574 3.923 342 HB2 ALA 54 1HB ALA 54 5.869 -9.320 5.406 343 HB3 ALA 54 2HB ALA 54 6.641 -7.735 5.465 344 H GLU 55 H GLU 55 9.026 -9.411 2.876 345 HA GLU 55 HA GLU 55 11.188 -7.560 3.524 346 HB2 GLU 55 1HB GLU 55 11.428 -9.805 2.230 347 HB3 GLU 55 2HB GLU 55 10.825 -8.887 0.858 348 HG2 GLU 55 1HG GLU 55 13.103 -7.781 2.413 349 HG3 GLU 55 2HG GLU 55 13.397 -9.136 1.324 350 H ILE 56 H ILE 56 11.623 -5.690 2.295 351 HA ILE 56 HA ILE 56 9.543 -4.769 0.461 352 HB ILE 56 HB ILE 56 10.403 -3.220 2.906 353 HG12 ILE 56 1HG1 ILE 56 7.588 -3.929 2.127 354 HG13 ILE 56 2HG1 ILE 56 8.587 -5.077 3.012 355 HG21 ILE 56 1HG2 ILE 56 9.111 -2.388 0.374 356 HG22 ILE 56 2HG2 ILE 56 8.491 -1.690 1.869 357 HG23 ILE 56 3HG2 ILE 56 10.192 -1.495 1.444 358 HD11 ILE 56 3HD1 ILE 56 7.911 -4.094 4.872 359 HD12 ILE 56 1HD1 ILE 56 8.848 -2.677 4.396 360 HD13 ILE 56 2HD1 ILE 56 7.140 -2.790 3.970 361 H THR 57 H THR 57 10.670 -4.357 -1.323 362 HA THR 57 HA THR 57 13.364 -3.239 -1.120 363 HB THR 57 HB THR 57 11.901 -4.219 -3.578 364 HG1 THR 57 1HG THR 57 13.484 -5.503 -1.649 365 HG21 THR 57 3HG2 THR 57 14.725 -3.326 -3.065 366 HG22 THR 57 1HG2 THR 57 13.605 -2.772 -4.308 367 HG23 THR 57 2HG2 THR 57 14.315 -4.382 -4.416 368 H PHE 58 H PHE 58 13.375 -1.086 -0.924 369 HA PHE 58 HA PHE 58 11.863 0.471 -2.906 370 HB2 PHE 58 1HB PHE 58 10.857 0.452 -0.522 371 HB3 PHE 58 2HB PHE 58 12.230 1.467 -0.092 372 HD1 PHE 58 2HD PHE 58 12.592 3.390 -2.042 373 HD2 PHE 58 1HD PHE 58 8.918 1.614 -0.833 374 HE1 PHE 58 2HE PHE 58 11.375 5.374 -2.838 375 HE2 PHE 58 1HE PHE 58 7.695 3.596 -1.628 376 HZ PHE 58 HZ PHE 58 8.924 5.480 -2.631 377 H ASP 59 H ASP 59 13.250 1.551 -4.124 378 HA ASP 59 HA ASP 59 15.668 2.662 -2.859 379 HB2 ASP 59 1HB ASP 59 15.973 0.648 -4.460 380 HB3 ASP 59 2HB ASP 59 15.605 1.801 -5.739 381 H ASP 60 H ASP 60 15.324 4.784 -2.726 382 HA ASP 60 HA ASP 60 13.922 6.158 -4.898 383 HB2 ASP 60 1HB ASP 60 12.997 6.777 -2.829 384 HB3 ASP 60 2HB ASP 60 14.575 6.893 -2.056 385 H HIS 61 H HIS 61 15.006 7.237 -6.399 386 HA HIS 61 HA HIS 61 17.816 7.934 -5.872 387 HB2 HIS 61 1HB HIS 61 17.000 6.375 -7.846 388 HB3 HIS 61 2HB HIS 61 16.674 7.915 -8.633 389 HD1 HIS 61 1HD HIS 61 18.923 5.777 -9.429 390 HD2 HIS 61 2HD HIS 61 19.492 9.348 -7.384 391 HE1 HIS 61 1HE HIS 61 21.330 6.394 -9.811 392 H LYS 62 H LYS 62 14.920 9.134 -7.562 393 HA LYS 62 HA LYS 62 15.824 11.872 -6.964 394 HB2 LYS 62 1HB LYS 62 14.852 10.714 -9.547 395 HB3 LYS 62 2HB LYS 62 14.511 12.401 -9.180 396 HG2 LYS 62 1HG LYS 62 17.280 11.237 -9.110 397 HG3 LYS 62 2HG LYS 62 16.571 11.967 -10.552 398 HD2 LYS 62 1HD LYS 62 16.314 14.078 -9.404 399 HD3 LYS 62 2HD LYS 62 16.877 13.362 -7.893 400 HE2 LYS 62 1HE LYS 62 18.540 14.740 -9.287 401 HE3 LYS 62 2HE LYS 62 19.069 13.185 -8.651 402 HZ1 LYS 62 3HZ LYS 62 18.790 12.182 -10.761 403 HZ2 LYS 62 1HZ LYS 62 19.647 13.617 -11.027 404 HZ3 LYS 62 2HZ LYS 62 17.998 13.537 -11.393 405 H ASN 63 H ASN 63 12.951 10.167 -8.230 406 HA ASN 63 HA ASN 63 11.284 11.865 -6.510 407 HB2 ASN 63 1HB ASN 63 10.345 10.096 -8.772 408 HB3 ASN 63 2HB ASN 63 9.459 11.399 -7.984 409 HD21 ASN 63 1HD2 ASN 63 10.461 10.803 -10.807 410 HD22 ASN 63 2HD2 ASN 63 11.192 12.290 -11.297 411 H GLY 64 H GLY 64 12.327 8.614 -7.027 412 HA2 GLY 64 1HA GLY 64 12.134 7.180 -5.019 413 HA3 GLY 64 2HA GLY 64 10.464 7.718 -4.913 414 H SER 65 H SER 65 11.500 5.002 -5.096 415 HA SER 65 HA SER 65 11.375 3.799 -7.551 416 HB2 SER 65 1HB SER 65 11.687 2.791 -5.152 417 HB3 SER 65 2HB SER 65 9.948 2.517 -5.245 418 HG SER 65 HG SER 65 11.950 1.532 -6.994 419 H CYS 66 H CYS 66 9.923 3.879 -9.119 420 HA CYS 66 HA CYS 66 7.546 5.086 -9.247 421 HB2 CYS 66 1HB CYS 66 8.233 2.436 -10.532 422 HB3 CYS 66 2HB CYS 66 6.859 3.431 -10.996 423 HG CYS 66 HG CYS 66 8.183 4.669 -12.802 424 H GLY 67 H GLY 67 8.056 1.843 -7.937 425 HA2 GLY 67 1HA GLY 67 5.514 2.071 -6.516 426 HA3 GLY 67 2HA GLY 67 5.688 0.709 -7.611 427 H VAL 68 H VAL 68 5.278 0.624 -4.759 428 HA VAL 68 HA VAL 68 7.844 -0.257 -3.683 429 HB VAL 68 HB VAL 68 5.125 -0.007 -2.393 430 HG11 VAL 68 1HG1 VAL 68 6.497 -1.871 -1.464 431 HG12 VAL 68 2HG1 VAL 68 7.740 -0.686 -1.056 432 HG13 VAL 68 3HG1 VAL 68 6.146 -0.588 -0.306 433 HG21 VAL 68 3HG2 VAL 68 6.913 1.618 -1.067 434 HG22 VAL 68 1HG2 VAL 68 7.383 1.791 -2.759 435 HG23 VAL 68 2HG2 VAL 68 5.727 2.142 -2.263 436 H SER 69 H SER 69 8.439 -2.324 -3.511 437 HA SER 69 HA SER 69 6.431 -4.390 -4.128 438 HB2 SER 69 1HB SER 69 8.231 -5.741 -5.045 439 HB3 SER 69 2HB SER 69 8.250 -4.153 -5.810 440 HG SER 69 HG SER 69 10.019 -3.602 -4.633 441 H TYR 70 H TYR 70 6.198 -6.112 -2.787 442 HA TYR 70 HA TYR 70 8.087 -6.465 -0.583 443 HB2 TYR 70 1HB TYR 70 6.426 -6.398 1.114 444 HB3 TYR 70 2HB TYR 70 6.173 -4.957 0.136 445 HD1 TYR 70 2HD TYR 70 4.381 -5.142 -1.738 446 HD2 TYR 70 1HD TYR 70 4.639 -7.816 1.563 447 HE1 TYR 70 2HE TYR 70 2.031 -5.783 -2.081 448 HE2 TYR 70 1HE TYR 70 2.291 -8.465 1.228 449 HH TYR 70 HH TYR 70 0.134 -6.795 -0.384 450 H ILE 71 H ILE 71 7.900 -8.530 0.482 451 HA ILE 71 HA ILE 71 6.333 -10.541 -0.972 452 HB ILE 71 HB ILE 71 9.295 -10.637 -0.445 453 HG12 ILE 71 1HG1 ILE 71 7.742 -11.307 -2.946 454 HG13 ILE 71 2HG1 ILE 71 8.342 -9.690 -2.598 455 HG21 ILE 71 1HG2 ILE 71 9.114 -13.025 -1.286 456 HG22 ILE 71 2HG2 ILE 71 8.572 -12.727 0.364 457 HG23 ILE 71 3HG2 ILE 71 7.391 -12.911 -0.932 458 HD11 ILE 71 3HD1 ILE 71 10.374 -11.769 -2.369 459 HD12 ILE 71 1HD1 ILE 71 9.682 -11.614 -3.983 460 HD13 ILE 71 2HD1 ILE 71 10.421 -10.216 -3.203 461 H ALA 72 H ALA 72 5.248 -11.836 0.354 462 HA ALA 72 HA ALA 72 5.953 -11.831 3.202 463 HB1 ALA 72 3HB ALA 72 3.770 -11.464 3.426 464 HB2 ALA 72 1HB ALA 72 3.461 -11.848 1.733 465 HB3 ALA 72 2HB ALA 72 3.522 -13.139 2.934 466 H GLN 73 H GLN 73 7.450 -13.402 3.503 467 HA GLN 73 HA GLN 73 7.840 -15.753 2.188 468 HB2 GLN 73 1HB GLN 73 8.140 -15.230 5.148 469 HB3 GLN 73 2HB GLN 73 8.790 -16.641 4.326 470 HG2 GLN 73 1HG GLN 73 9.624 -13.781 4.108 471 HG3 GLN 73 2HG GLN 73 10.600 -15.207 4.459 472 HE21 GLN 73 1HE2 GLN 73 10.606 -12.993 2.351 473 HE22 GLN 73 2HE2 GLN 73 10.811 -13.850 0.865 474 H GLU 74 H GLU 74 5.785 -15.362 5.076 475 HA GLU 74 HA GLU 74 4.516 -17.933 4.433 476 HB2 GLU 74 1HB GLU 74 4.156 -16.423 7.009 477 HB3 GLU 74 2HB GLU 74 3.908 -18.135 6.699 478 HG2 GLU 74 1HG GLU 74 6.478 -18.085 6.176 479 HG3 GLU 74 2HG GLU 74 6.430 -16.642 7.187 480 HA PRO 75 HA PRO 75 0.820 -15.918 3.159 481 HB2 PRO 75 1HB PRO 75 -0.959 -17.910 3.644 482 HB3 PRO 75 2HB PRO 75 0.185 -17.950 2.297 483 HG2 PRO 75 1HG PRO 75 0.359 -19.286 4.970 484 HG3 PRO 75 2HG PRO 75 0.749 -19.936 3.367 485 HD2 PRO 75 1HD PRO 75 2.648 -19.043 5.079 486 HD3 PRO 75 2HD PRO 75 2.814 -18.912 3.316 487 H GLY 76 H GLY 76 -0.686 -14.612 4.055 488 HA2 GLY 76 1HA GLY 76 -2.276 -15.074 6.260 489 HA3 GLY 76 2HA GLY 76 -0.802 -14.358 6.895 490 H ASN 77 H ASN 77 -2.637 -12.800 7.543 491 HA ASN 77 HA ASN 77 -3.322 -10.938 5.400 492 HB2 ASN 77 1HB ASN 77 -4.824 -9.905 7.020 493 HB3 ASN 77 2HB ASN 77 -5.092 -11.645 6.973 494 HD21 ASN 77 1HD2 ASN 77 -5.646 -9.659 9.066 495 HD22 ASN 77 2HD2 ASN 77 -4.834 -10.234 10.478 496 H TYR 78 H TYR 78 -1.499 -9.779 4.956 497 HA TYR 78 HA TYR 78 0.038 -8.594 7.119 498 HB2 TYR 78 1HB TYR 78 0.369 -8.638 4.122 499 HB3 TYR 78 2HB TYR 78 1.389 -7.652 5.164 500 HD1 TYR 78 2HD TYR 78 0.332 -11.155 4.516 501 HD2 TYR 78 1HD TYR 78 3.255 -8.586 6.238 502 HE1 TYR 78 2HE TYR 78 1.800 -13.091 4.899 503 HE2 TYR 78 1HE TYR 78 4.731 -10.514 6.626 504 HH TYR 78 HH TYR 78 3.685 -13.812 5.854 505 H GLU 79 H GLU 79 -0.399 -6.666 7.938 506 HA GLU 79 HA GLU 79 -2.208 -4.878 6.501 507 HB2 GLU 79 1HB GLU 79 -2.330 -5.603 9.040 508 HB3 GLU 79 2HB GLU 79 -1.188 -4.283 9.244 509 HG2 GLU 79 1HG GLU 79 -2.914 -2.900 7.905 510 HG3 GLU 79 2HG GLU 79 -4.031 -4.193 8.339 511 H VAL 80 H VAL 80 -1.075 -3.727 5.032 512 HA VAL 80 HA VAL 80 1.520 -2.610 5.692 513 HB VAL 80 HB VAL 80 -0.062 -2.088 3.182 514 HG11 VAL 80 1HG1 VAL 80 2.914 -2.279 3.411 515 HG12 VAL 80 2HG1 VAL 80 1.935 -1.405 2.231 516 HG13 VAL 80 3HG1 VAL 80 2.080 -0.799 3.881 517 HG21 VAL 80 3HG2 VAL 80 1.354 -3.989 2.241 518 HG22 VAL 80 1HG2 VAL 80 1.624 -4.463 3.919 519 HG23 VAL 80 2HG2 VAL 80 -0.013 -4.437 3.262 520 H SER 81 H SER 81 1.561 -0.847 6.926 521 HA SER 81 HA SER 81 -0.605 1.085 6.835 522 HB2 SER 81 1HB SER 81 1.847 0.792 8.567 523 HB3 SER 81 2HB SER 81 0.810 2.216 8.646 524 HG SER 81 HG SER 81 -0.279 1.031 10.004 525 H ILE 82 H ILE 82 -0.584 2.899 5.687 526 HA ILE 82 HA ILE 82 1.992 3.830 4.596 527 HB ILE 82 HB ILE 82 -0.745 4.043 3.335 528 HG12 ILE 82 1HG1 ILE 82 1.695 2.395 2.655 529 HG13 ILE 82 2HG1 ILE 82 0.107 1.801 3.124 530 HG21 ILE 82 1HG2 ILE 82 1.528 5.680 3.005 531 HG22 ILE 82 2HG2 ILE 82 1.402 4.673 1.563 532 HG23 ILE 82 3HG2 ILE 82 0.040 5.679 2.057 533 HD11 ILE 82 3HD1 ILE 82 -0.055 1.501 0.892 534 HD12 ILE 82 1HD1 ILE 82 -0.605 3.176 0.966 535 HD13 ILE 82 2HD1 ILE 82 1.063 2.814 0.520 536 H LYS 83 H LYS 83 2.562 5.893 4.944 537 HA LYS 83 HA LYS 83 0.533 7.748 5.991 538 HB2 LYS 83 1HB LYS 83 3.188 7.014 7.151 539 HB3 LYS 83 2HB LYS 83 2.602 8.660 7.350 540 HG2 LYS 83 1HG LYS 83 0.423 7.423 8.161 541 HG3 LYS 83 2HG LYS 83 1.570 6.123 8.496 542 HD2 LYS 83 1HD LYS 83 1.938 8.953 9.464 543 HD3 LYS 83 2HD LYS 83 1.133 7.700 10.410 544 HE2 LYS 83 1HE LYS 83 3.956 7.551 9.358 545 HE3 LYS 83 2HE LYS 83 3.508 7.966 11.013 546 HZ1 LYS 83 3HZ LYS 83 2.212 5.638 10.627 547 HZ2 LYS 83 1HZ LYS 83 3.724 5.787 11.372 548 HZ3 LYS 83 2HZ LYS 83 3.625 5.387 9.732 549 H PHE 84 H PHE 84 0.420 9.568 4.862 550 HA PHE 84 HA PHE 84 2.674 10.271 3.112 551 HB2 PHE 84 1HB PHE 84 0.634 9.935 1.884 552 HB3 PHE 84 2HB PHE 84 -0.259 10.986 2.979 553 HD1 PHE 84 1HD PHE 84 0.110 13.421 2.930 554 HD2 PHE 84 2HD PHE 84 1.920 10.816 0.093 555 HE1 PHE 84 1HE PHE 84 0.579 15.344 1.467 556 HE2 PHE 84 2HE PHE 84 2.392 12.734 -1.373 557 HZ PHE 84 HZ PHE 84 1.722 15.002 -0.686 558 H ASN 85 H ASN 85 3.996 11.654 4.115 559 HA ASN 85 HA ASN 85 4.760 13.559 5.097 560 HB2 ASN 85 1HB ASN 85 1.974 14.668 4.720 561 HB3 ASN 85 2HB ASN 85 3.468 15.580 4.917 562 HD21 ASN 85 1HD2 ASN 85 2.665 16.598 2.927 563 HD22 ASN 85 2HD2 ASN 85 3.074 15.871 1.413 564 H ASP 86 H ASP 86 3.871 11.488 6.744 565 HA ASP 86 HA ASP 86 3.530 11.071 8.957 566 HB2 ASP 86 1HB ASP 86 3.275 14.025 9.470 567 HB3 ASP 86 2HB ASP 86 3.894 12.769 10.540 568 H GLU 87 H GLU 87 1.351 11.067 7.188 569 HA GLU 87 HA GLU 87 -0.813 11.582 9.081 570 HB2 GLU 87 1HB GLU 87 -0.505 12.851 6.404 571 HB3 GLU 87 2HB GLU 87 -2.118 12.345 6.885 572 HG2 GLU 87 1HG GLU 87 -1.871 13.687 8.951 573 HG3 GLU 87 2HG GLU 87 -0.322 14.268 8.344 574 H HIS 88 H HIS 88 -2.488 10.140 8.960 575 HA HIS 88 HA HIS 88 -2.013 7.792 7.302 576 HB2 HIS 88 1HB HIS 88 -3.538 8.360 9.791 577 HB3 HIS 88 2HB HIS 88 -4.136 7.064 8.760 578 HD2 HIS 88 2HD HIS 88 -1.003 7.876 10.966 579 HE1 HIS 88 1HE HIS 88 -0.928 3.763 9.932 580 HE2 HIS 88 2HE HIS 88 0.088 5.566 11.368 581 H ILE 89 H ILE 89 -2.832 7.916 5.309 582 HA ILE 89 HA ILE 89 -4.983 9.529 4.513 583 HB ILE 89 HB ILE 89 -5.038 7.758 2.550 584 HG12 ILE 89 1HG1 ILE 89 -2.209 7.335 3.420 585 HG13 ILE 89 2HG1 ILE 89 -3.467 6.312 4.106 586 HG21 ILE 89 1HG2 ILE 89 -2.695 9.598 3.014 587 HG22 ILE 89 2HG2 ILE 89 -3.257 8.996 1.456 588 HG23 ILE 89 3HG2 ILE 89 -4.274 10.085 2.400 589 HD11 ILE 89 3HD1 ILE 89 -3.507 6.597 1.180 590 HD12 ILE 89 1HD1 ILE 89 -2.126 5.735 1.858 591 HD13 ILE 89 2HD1 ILE 89 -3.765 5.176 2.191 592 HA PRO 90 HA PRO 90 -8.624 7.293 5.511 593 HB2 PRO 90 1HB PRO 90 -10.176 7.726 3.325 594 HB3 PRO 90 2HB PRO 90 -9.815 8.985 4.513 595 HG2 PRO 90 1HG PRO 90 -8.553 8.479 1.846 596 HG3 PRO 90 2HG PRO 90 -9.041 10.018 2.578 597 HD2 PRO 90 1HD PRO 90 -6.473 9.161 2.565 598 HD3 PRO 90 2HD PRO 90 -7.144 10.143 3.881 599 H GLU 91 H GLU 91 -6.509 6.195 3.238 600 HA GLU 91 HA GLU 91 -8.156 3.828 2.631 601 HB2 GLU 91 1HB GLU 91 -5.875 5.028 1.052 602 HB3 GLU 91 2HB GLU 91 -6.655 3.499 0.667 603 HG2 GLU 91 1HG GLU 91 -8.759 4.636 0.283 604 HG3 GLU 91 2HG GLU 91 -8.030 6.175 0.741 605 H SER 92 H SER 92 -5.725 4.892 4.556 606 HA SER 92 HA SER 92 -4.483 2.220 4.673 607 HB2 SER 92 1HB SER 92 -2.377 3.113 4.947 608 HB3 SER 92 2HB SER 92 -3.091 4.356 3.920 609 HG SER 92 HG SER 92 -2.858 4.411 6.749 610 HA PRO 93 HA PRO 93 -2.700 1.534 6.105 611 HB2 PRO 93 1HB PRO 93 -2.974 -0.754 7.539 612 HB3 PRO 93 2HB PRO 93 -2.093 0.655 8.139 613 HG2 PRO 93 1HG PRO 93 -4.889 -0.226 8.741 614 HG3 PRO 93 2HG PRO 93 -3.650 0.396 9.847 615 HD2 PRO 93 1HD PRO 93 -5.667 1.938 8.904 616 HD3 PRO 93 2HD PRO 93 -4.056 2.589 9.271 617 H TYR 94 H TYR 94 -2.645 -0.706 5.093 618 HA TYR 94 HA TYR 94 -5.282 -1.293 3.919 619 HB2 TYR 94 1HB TYR 94 -2.521 -1.629 2.731 620 HB3 TYR 94 2HB TYR 94 -4.011 -2.159 1.959 621 HD1 TYR 94 2HD TYR 94 -2.254 0.858 3.232 622 HD2 TYR 94 1HD TYR 94 -5.268 -0.673 0.649 623 HE1 TYR 94 2HE TYR 94 -2.518 3.087 2.228 624 HE2 TYR 94 1HE TYR 94 -5.539 1.551 -0.363 625 HH TYR 94 HH TYR 94 -4.633 3.616 -0.543 626 H LEU 95 H LEU 95 -5.854 -3.463 3.534 627 HA LEU 95 HA LEU 95 -4.294 -5.428 5.080 628 HB2 LEU 95 1HB LEU 95 -6.543 -4.697 6.019 629 HB3 LEU 95 2HB LEU 95 -7.266 -5.545 4.653 630 HG LEU 95 HG LEU 95 -6.199 -7.639 5.457 631 HD11 LEU 95 1HD1 LEU 95 -4.355 -6.602 6.700 632 HD12 LEU 95 2HD1 LEU 95 -5.277 -7.726 7.697 633 HD13 LEU 95 3HD1 LEU 95 -5.509 -5.988 7.883 634 HD21 LEU 95 3HD2 LEU 95 -7.870 -6.407 7.628 635 HD22 LEU 95 1HD2 LEU 95 -7.826 -8.087 7.092 636 HD23 LEU 95 2HD2 LEU 95 -8.542 -6.850 6.057 637 H VAL 96 H VAL 96 -3.264 -6.666 3.645 638 HA VAL 96 HA VAL 96 -4.752 -7.596 1.277 639 HB VAL 96 HB VAL 96 -1.752 -7.543 1.609 640 HG11 VAL 96 1HG1 VAL 96 -1.820 -8.871 -0.176 641 HG12 VAL 96 2HG1 VAL 96 -3.559 -8.642 -0.366 642 HG13 VAL 96 3HG1 VAL 96 -2.433 -7.488 -1.081 643 HG21 VAL 96 3HG2 VAL 96 -2.483 -5.268 1.636 644 HG22 VAL 96 1HG2 VAL 96 -1.853 -5.609 0.025 645 HG23 VAL 96 2HG2 VAL 96 -3.594 -5.550 0.296 646 HA PRO 97 HA PRO 97 -4.576 -11.475 3.557 647 HB2 PRO 97 1HB PRO 97 -6.325 -12.767 1.931 648 HB3 PRO 97 2HB PRO 97 -6.838 -11.650 3.202 649 HG2 PRO 97 1HG PRO 97 -6.547 -11.169 0.262 650 HG3 PRO 97 2HG PRO 97 -7.844 -10.654 1.356 651 HD2 PRO 97 1HD PRO 97 -5.861 -8.990 0.562 652 HD3 PRO 97 2HD PRO 97 -6.628 -8.867 2.158 653 H VAL 98 H VAL 98 -2.370 -11.830 2.901 654 HA VAL 98 HA VAL 98 -1.747 -12.847 0.300 655 HB VAL 98 HB VAL 98 -0.083 -13.038 2.812 656 HG11 VAL 98 1HG1 VAL 98 0.318 -14.253 0.397 657 HG12 VAL 98 2HG1 VAL 98 1.241 -12.760 0.221 658 HG13 VAL 98 3HG1 VAL 98 1.582 -13.856 1.560 659 HG21 VAL 98 3HG2 VAL 98 1.023 -10.986 1.992 660 HG22 VAL 98 1HG2 VAL 98 -0.195 -10.866 0.723 661 HG23 VAL 98 2HG2 VAL 98 -0.668 -10.725 2.416 662 H ILE 99 H ILE 99 -2.113 -14.832 -0.413 663 HA ILE 99 HA ILE 99 -2.313 -17.021 1.553 664 HB ILE 99 HB ILE 99 -3.810 -18.171 -0.014 665 HG12 ILE 99 1HG1 ILE 99 -4.111 -15.656 -1.608 666 HG13 ILE 99 2HG1 ILE 99 -2.789 -16.753 -1.989 667 HG21 ILE 99 1HG2 ILE 99 -5.693 -16.350 0.095 668 HG22 ILE 99 2HG2 ILE 99 -5.055 -17.075 1.571 669 HG23 ILE 99 3HG2 ILE 99 -4.502 -15.480 1.061 670 HD11 ILE 99 3HD1 ILE 99 -4.302 -18.519 -2.485 671 HD12 ILE 99 1HD1 ILE 99 -5.672 -17.592 -1.875 672 HD13 ILE 99 2HD1 ILE 99 -4.846 -17.080 -3.347 673 H ALA 100 H ALA 100 -1.568 -19.110 0.881 674 HA ALA 100 HA ALA 100 0.853 -18.959 -0.673 675 HB1 ALA 100 3HB ALA 100 0.029 -20.498 1.447 676 HB2 ALA 100 1HB ALA 100 -0.009 -21.633 0.098 677 HB3 ALA 100 2HB ALA 100 1.479 -20.766 0.480 678 HA PRO 101 HA PRO 101 -1.319 -20.024 -4.444 679 HB2 PRO 101 1HB PRO 101 0.859 -19.810 -6.049 680 HB3 PRO 101 2HB PRO 101 -0.047 -18.408 -5.467 681 HG2 PRO 101 1HG PRO 101 2.506 -19.575 -4.430 682 HG3 PRO 101 2HG PRO 101 2.074 -17.874 -4.679 683 HD2 PRO 101 1HD PRO 101 2.000 -19.054 -2.243 684 HD3 PRO 101 2HD PRO 101 0.880 -17.758 -2.712 685 H SER 102 H SER 102 -1.726 -21.993 -5.230 686 HA SER 102 HA SER 102 -0.240 -24.261 -4.401 687 HB2 SER 102 1HB SER 102 -2.696 -24.258 -4.906 688 HB3 SER 102 2HB SER 102 -2.296 -24.125 -6.618 689 HG SER 102 HG SER 102 -2.660 -26.305 -5.871 690 H ASP 103 H ASP 103 1.644 -24.902 -5.186 691 HA ASP 103 HA ASP 103 2.159 -24.565 -8.066 692 HB2 ASP 103 1HB ASP 103 4.377 -24.477 -6.045 693 HB3 ASP 103 2HB ASP 103 4.359 -23.866 -7.696 694 H ASP 104 H ASP 104 3.981 -26.035 -8.814 695 HA ASP 104 HA ASP 104 4.174 -28.526 -7.310 696 HB2 ASP 104 1HB ASP 104 3.246 -28.508 -10.188 697 HB3 ASP 104 2HB ASP 104 3.426 -29.910 -9.138 698 H ALA 105 H ALA 105 5.592 -30.127 -8.673 699 HA ALA 105 HA ALA 105 8.084 -28.797 -9.113 700 HB1 ALA 105 3HB ALA 105 8.397 -30.872 -8.176 701 HB2 ALA 105 1HB ALA 105 7.156 -31.631 -9.174 702 HB3 ALA 105 2HB ALA 105 8.721 -31.216 -9.875 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -14.410 21.381 -0.660 2 HA2 GLY 1 1HA GLY 1 -11.565 21.957 -0.110 3 HA3 GLY 1 2HA GLY 1 -12.145 21.649 -1.740 4 H SER 2 H SER 2 -11.168 24.034 0.209 5 HA SER 2 HA SER 2 -13.146 26.005 -0.668 6 HB2 SER 2 1HB SER 2 -12.398 25.966 1.722 7 HB3 SER 2 2HB SER 2 -10.780 26.406 1.177 8 HG SER 2 HG SER 2 -11.615 28.340 1.523 9 H SER 3 H SER 3 -12.651 27.741 -1.968 10 HA SER 3 HA SER 3 -10.612 27.365 -3.892 11 HB2 SER 3 1HB SER 3 -12.619 29.503 -3.314 12 HB3 SER 3 2HB SER 3 -11.292 29.871 -4.416 13 HG SER 3 HG SER 3 -13.513 28.390 -4.843 14 H GLY 4 H GLY 4 -8.554 28.010 -3.936 15 HA2 GLY 4 1HA GLY 4 -7.591 30.383 -2.724 16 HA3 GLY 4 2HA GLY 4 -7.226 29.002 -1.701 17 H SER 5 H SER 5 -5.723 30.946 -3.646 18 HA SER 5 HA SER 5 -4.581 29.525 -5.725 19 HB2 SER 5 1HB SER 5 -3.487 31.717 -3.968 20 HB3 SER 5 2HB SER 5 -2.554 31.047 -5.306 21 HG SER 5 HG SER 5 -4.195 31.690 -6.714 22 H SER 6 H SER 6 -3.105 29.999 -2.510 23 HA SER 6 HA SER 6 -0.930 28.426 -2.641 24 HB2 SER 6 1HB SER 6 -2.883 28.405 -0.326 25 HB3 SER 6 2HB SER 6 -1.181 27.952 -0.248 26 HG SER 6 HG SER 6 -2.199 30.343 0.073 27 H GLY 7 H GLY 7 -4.243 27.252 -2.189 28 HA2 GLY 7 1HA GLY 7 -5.132 25.208 -2.838 29 HA3 GLY 7 2HA GLY 7 -3.530 24.714 -3.366 30 H GLU 8 H GLU 8 -5.876 23.835 -1.369 31 HA GLU 8 HA GLU 8 -4.160 23.155 0.902 32 HB2 GLU 8 1HB GLU 8 -6.360 22.321 1.882 33 HB3 GLU 8 2HB GLU 8 -6.210 24.055 1.639 34 HG2 GLU 8 1HG GLU 8 -7.541 23.940 -0.362 35 HG3 GLU 8 2HG GLU 8 -7.602 22.181 -0.258 36 H GLY 9 H GLY 9 -3.154 21.262 0.906 37 HA2 GLY 9 1HA GLY 9 -4.557 18.871 0.022 38 HA3 GLY 9 2HA GLY 9 -3.111 19.287 -0.887 39 H GLY 10 H GLY 10 -3.378 16.879 0.502 40 HA2 GLY 10 1HA GLY 10 -0.973 16.769 1.921 41 HA3 GLY 10 2HA GLY 10 -2.269 16.928 3.097 42 H ALA 11 H ALA 11 -2.901 15.059 3.916 43 HA ALA 11 HA ALA 11 -2.243 12.568 2.649 44 HB1 ALA 11 3HB ALA 11 -2.146 12.835 5.083 45 HB2 ALA 11 1HB ALA 11 -3.891 13.092 5.121 46 HB3 ALA 11 2HB ALA 11 -3.240 11.533 4.613 47 H HIS 12 H HIS 12 -5.377 13.791 3.847 48 HA HIS 12 HA HIS 12 -7.106 12.053 2.749 49 HB2 HIS 12 1HB HIS 12 -8.768 13.809 2.653 50 HB3 HIS 12 2HB HIS 12 -7.744 14.068 4.062 51 HD1 HIS 12 1HD HIS 12 -5.449 15.644 3.007 52 HD2 HIS 12 2HD HIS 12 -9.344 16.267 1.703 53 HE1 HIS 12 1HE HIS 12 -5.484 17.986 2.089 54 H LYS 13 H LYS 13 -5.164 14.339 0.998 55 HA LYS 13 HA LYS 13 -6.574 13.789 -1.502 56 HB2 LYS 13 1HB LYS 13 -4.265 15.655 -0.923 57 HB3 LYS 13 2HB LYS 13 -5.106 15.519 -2.462 58 HG2 LYS 13 1HG LYS 13 -6.704 16.137 -0.036 59 HG3 LYS 13 2HG LYS 13 -5.696 17.408 -0.731 60 HD2 LYS 13 1HD LYS 13 -7.738 17.699 -1.808 61 HD3 LYS 13 2HD LYS 13 -6.803 16.751 -2.968 62 HE2 LYS 13 1HE LYS 13 -8.040 14.854 -2.621 63 HE3 LYS 13 2HE LYS 13 -8.468 15.304 -0.971 64 HZ1 LYS 13 3HZ LYS 13 -9.513 16.921 -3.182 65 HZ2 LYS 13 1HZ LYS 13 -10.196 16.593 -1.670 66 HZ3 LYS 13 2HZ LYS 13 -10.220 15.415 -2.882 67 H VAL 14 H VAL 14 -5.190 11.627 -0.284 68 HA VAL 14 HA VAL 14 -3.286 11.036 -2.428 69 HB VAL 14 HB VAL 14 -2.711 10.791 0.516 70 HG11 VAL 14 1HG1 VAL 14 -1.862 8.762 0.041 71 HG12 VAL 14 2HG1 VAL 14 -1.818 9.073 -1.695 72 HG13 VAL 14 3HG1 VAL 14 -0.532 9.687 -0.656 73 HG21 VAL 14 3HG2 VAL 14 -2.017 12.678 -1.396 74 HG22 VAL 14 1HG2 VAL 14 -1.269 12.457 0.186 75 HG23 VAL 14 2HG2 VAL 14 -0.578 11.672 -1.234 76 H ARG 15 H ARG 15 -3.952 9.249 -3.400 77 HA ARG 15 HA ARG 15 -5.192 7.134 -1.765 78 HB2 ARG 15 1HB ARG 15 -6.833 8.325 -3.211 79 HB3 ARG 15 2HB ARG 15 -5.900 7.834 -4.618 80 HG2 ARG 15 1HG ARG 15 -6.559 5.646 -4.468 81 HG3 ARG 15 2HG ARG 15 -6.855 5.742 -2.731 82 HD2 ARG 15 1HD ARG 15 -8.793 7.258 -3.257 83 HD3 ARG 15 2HD ARG 15 -8.551 6.854 -4.957 84 HE ARG 15 HE ARG 15 -8.775 4.489 -3.442 85 HH11 ARG 15 1HH1 ARG 15 -10.691 7.151 -4.607 86 HH12 ARG 15 2HH1 ARG 15 -12.163 6.237 -4.662 87 HH21 ARG 15 1HH2 ARG 15 -10.705 3.276 -3.509 88 HH22 ARG 15 2HH2 ARG 15 -12.169 4.033 -4.035 89 H ALA 16 H ALA 16 -4.923 4.956 -2.571 90 HA ALA 16 HA ALA 16 -2.640 4.622 -4.397 91 HB1 ALA 16 3HB ALA 16 -2.409 4.277 -1.703 92 HB2 ALA 16 1HB ALA 16 -2.781 2.641 -2.246 93 HB3 ALA 16 2HB ALA 16 -1.391 3.498 -2.914 94 H GLY 17 H GLY 17 -2.816 2.991 -5.849 95 HA2 GLY 17 1HA GLY 17 -4.597 0.772 -5.477 96 HA3 GLY 17 2HA GLY 17 -5.231 1.952 -6.614 97 H GLY 18 H GLY 18 -4.229 -0.882 -6.902 98 HA2 GLY 18 1HA GLY 18 -3.370 -0.959 -9.439 99 HA3 GLY 18 2HA GLY 18 -1.882 -0.582 -8.585 100 HA PRO 19 HA PRO 19 -2.471 -5.214 -8.797 101 HB2 PRO 19 1HB PRO 19 -0.068 -5.738 -9.945 102 HB3 PRO 19 2HB PRO 19 -1.522 -5.382 -10.883 103 HG2 PRO 19 1HG PRO 19 0.743 -3.571 -10.142 104 HG3 PRO 19 2HG PRO 19 -0.104 -3.727 -11.692 105 HD2 PRO 19 1HD PRO 19 -0.632 -1.733 -9.935 106 HD3 PRO 19 2HD PRO 19 -1.875 -2.426 -10.997 107 H GLY 20 H GLY 20 -2.240 -5.705 -6.671 108 HA2 GLY 20 1HA GLY 20 -0.199 -6.820 -5.462 109 HA3 GLY 20 2HA GLY 20 0.314 -5.144 -5.349 110 H LEU 21 H LEU 21 -2.263 -4.007 -4.922 111 HA LEU 21 HA LEU 21 -2.493 -4.496 -2.097 112 HB2 LEU 21 1HB LEU 21 -3.996 -2.676 -3.969 113 HB3 LEU 21 2HB LEU 21 -4.269 -2.741 -2.228 114 HG LEU 21 HG LEU 21 -1.668 -1.955 -3.542 115 HD11 LEU 21 1HD1 LEU 21 -2.603 0.241 -2.228 116 HD12 LEU 21 2HD1 LEU 21 -4.086 -0.445 -2.889 117 HD13 LEU 21 3HD1 LEU 21 -2.746 -0.041 -3.963 118 HD21 LEU 21 3HD2 LEU 21 -1.344 -2.930 -1.347 119 HD22 LEU 21 1HD2 LEU 21 -2.582 -1.871 -0.668 120 HD23 LEU 21 2HD2 LEU 21 -1.076 -1.188 -1.281 121 H GLU 22 H GLU 22 -4.433 -5.129 -4.971 122 HA GLU 22 HA GLU 22 -6.830 -5.892 -3.853 123 HB2 GLU 22 1HB GLU 22 -5.425 -7.181 -6.200 124 HB3 GLU 22 2HB GLU 22 -7.135 -7.339 -5.826 125 HG2 GLU 22 1HG GLU 22 -5.722 -4.771 -6.514 126 HG3 GLU 22 2HG GLU 22 -6.731 -5.720 -7.606 127 H ARG 23 H ARG 23 -4.149 -8.107 -4.662 128 HA ARG 23 HA ARG 23 -4.524 -9.596 -2.237 129 HB2 ARG 23 1HB ARG 23 -6.284 -10.364 -4.049 130 HB3 ARG 23 2HB ARG 23 -4.907 -11.242 -4.701 131 HG2 ARG 23 1HG ARG 23 -4.684 -12.024 -2.181 132 HG3 ARG 23 2HG ARG 23 -6.411 -11.663 -2.184 133 HD2 ARG 23 1HD ARG 23 -5.050 -13.435 -4.206 134 HD3 ARG 23 2HD ARG 23 -5.839 -14.031 -2.746 135 HE ARG 23 HE ARG 23 -7.520 -12.381 -4.402 136 HH11 ARG 23 1HH1 ARG 23 -6.372 -15.608 -3.781 137 HH12 ARG 23 2HH1 ARG 23 -7.737 -16.377 -4.522 138 HH21 ARG 23 1HH2 ARG 23 -9.323 -13.381 -5.379 139 HH22 ARG 23 2HH2 ARG 23 -9.415 -15.108 -5.431 140 H GLY 24 H GLY 24 -2.731 -10.769 -1.702 141 HA2 GLY 24 1HA GLY 24 -0.530 -10.705 -3.670 142 HA3 GLY 24 2HA GLY 24 -0.305 -10.592 -1.931 143 H GLU 25 H GLU 25 1.262 -12.372 -2.856 144 HA GLU 25 HA GLU 25 0.015 -14.924 -2.160 145 HB2 GLU 25 1HB GLU 25 1.329 -14.262 -4.755 146 HB3 GLU 25 2HB GLU 25 1.588 -15.865 -4.080 147 HG2 GLU 25 1HG GLU 25 -0.575 -16.503 -4.385 148 HG3 GLU 25 2HG GLU 25 -1.197 -14.860 -4.236 149 H ALA 26 H ALA 26 1.153 -15.794 -0.572 150 HA ALA 26 HA ALA 26 3.528 -14.857 0.458 151 HB1 ALA 26 3HB ALA 26 1.872 -16.501 1.484 152 HB2 ALA 26 1HB ALA 26 2.767 -17.756 0.627 153 HB3 ALA 26 2HB ALA 26 3.581 -16.757 1.831 154 H GLY 27 H GLY 27 5.580 -14.910 -0.185 155 HA2 GLY 27 1HA GLY 27 7.531 -16.027 -0.955 156 HA3 GLY 27 2HA GLY 27 6.506 -17.146 -1.841 157 H VAL 28 H VAL 28 4.869 -14.945 -2.942 158 HA VAL 28 HA VAL 28 6.686 -14.233 -5.119 159 HB VAL 28 HB VAL 28 3.679 -13.977 -4.961 160 HG11 VAL 28 1HG1 VAL 28 3.661 -13.247 -7.145 161 HG12 VAL 28 2HG1 VAL 28 5.114 -12.458 -6.530 162 HG13 VAL 28 3HG1 VAL 28 5.249 -13.926 -7.499 163 HG21 VAL 28 3HG2 VAL 28 3.519 -16.108 -5.582 164 HG22 VAL 28 1HG2 VAL 28 4.678 -15.867 -6.890 165 HG23 VAL 28 2HG2 VAL 28 5.247 -16.271 -5.269 166 HA PRO 29 HA PRO 29 7.038 -10.063 -3.700 167 HB2 PRO 29 1HB PRO 29 7.997 -8.978 -5.995 168 HB3 PRO 29 2HB PRO 29 8.980 -9.982 -4.925 169 HG2 PRO 29 1HG PRO 29 7.569 -10.730 -7.457 170 HG3 PRO 29 2HG PRO 29 9.197 -11.173 -6.910 171 HD2 PRO 29 1HD PRO 29 7.082 -12.852 -6.703 172 HD3 PRO 29 2HD PRO 29 8.414 -12.844 -5.528 173 H ALA 30 H ALA 30 5.262 -8.873 -3.391 174 HA ALA 30 HA ALA 30 3.492 -8.329 -5.673 175 HB1 ALA 30 3HB ALA 30 1.746 -7.907 -4.111 176 HB2 ALA 30 1HB ALA 30 2.543 -9.402 -3.616 177 HB3 ALA 30 2HB ALA 30 2.876 -7.897 -2.757 178 H GLU 31 H GLU 31 4.273 -6.547 -6.671 179 HA GLU 31 HA GLU 31 4.804 -4.176 -5.007 180 HB2 GLU 31 1HB GLU 31 6.055 -3.360 -7.072 181 HB3 GLU 31 2HB GLU 31 6.791 -4.678 -6.170 182 HG2 GLU 31 1HG GLU 31 5.860 -6.275 -7.800 183 HG3 GLU 31 2HG GLU 31 5.221 -4.917 -8.725 184 H PHE 32 H PHE 32 3.802 -2.257 -5.465 185 HA PHE 32 HA PHE 32 1.876 -2.241 -7.688 186 HB2 PHE 32 1HB PHE 32 0.408 -0.854 -6.056 187 HB3 PHE 32 2HB PHE 32 0.435 -2.607 -5.890 188 HD1 PHE 32 1HD PHE 32 1.568 0.567 -4.442 189 HD2 PHE 32 2HD PHE 32 1.387 -3.659 -3.966 190 HE1 PHE 32 1HE PHE 32 2.242 0.806 -2.088 191 HE2 PHE 32 2HE PHE 32 2.059 -3.427 -1.611 192 HZ PHE 32 HZ PHE 32 2.488 -1.192 -0.668 193 H SER 33 H SER 33 0.922 0.146 -7.798 194 HA SER 33 HA SER 33 3.216 1.992 -7.660 195 HB2 SER 33 1HB SER 33 2.230 3.086 -9.706 196 HB3 SER 33 2HB SER 33 2.856 1.460 -9.975 197 HG SER 33 HG SER 33 0.774 0.675 -9.974 198 H ILE 34 H ILE 34 2.871 3.995 -6.842 199 HA ILE 34 HA ILE 34 0.157 4.557 -5.849 200 HB ILE 34 HB ILE 34 2.797 5.601 -4.817 201 HG12 ILE 34 1HG1 ILE 34 0.874 3.670 -3.508 202 HG13 ILE 34 2HG1 ILE 34 2.314 3.169 -4.389 203 HG21 ILE 34 1HG2 ILE 34 1.524 7.257 -4.016 204 HG22 ILE 34 2HG2 ILE 34 0.026 6.395 -4.365 205 HG23 ILE 34 3HG2 ILE 34 0.914 6.052 -2.881 206 HD11 ILE 34 3HD1 ILE 34 2.768 5.170 -2.290 207 HD12 ILE 34 1HD1 ILE 34 2.220 3.590 -1.729 208 HD13 ILE 34 2HD1 ILE 34 3.684 3.720 -2.704 209 H TRP 35 H TRP 35 -0.859 6.406 -6.394 210 HA TRP 35 HA TRP 35 0.644 8.359 -8.010 211 HB2 TRP 35 1HB TRP 35 -1.157 8.606 -9.498 212 HB3 TRP 35 2HB TRP 35 -1.058 6.867 -9.234 213 HD1 TRP 35 HD TRP 35 -3.066 9.864 -7.782 214 HE1 TRP 35 1HE TRP 35 -5.446 9.035 -7.260 215 HE3 TRP 35 3HE TRP 35 -2.509 4.943 -9.051 216 HZ2 TRP 35 2HZ TRP 35 -6.896 6.615 -7.372 217 HZ3 TRP 35 3HZ TRP 35 -4.441 3.438 -8.815 218 HH2 TRP 35 HH TRP 35 -6.588 4.258 -7.992 219 H THR 36 H THR 36 0.515 10.433 -7.402 220 HA THR 36 HA THR 36 -1.205 11.072 -5.116 221 HB THR 36 HB THR 36 0.222 13.112 -4.901 222 HG1 THR 36 1HG THR 36 2.122 13.194 -6.157 223 HG21 THR 36 3HG2 THR 36 0.739 10.557 -4.085 224 HG22 THR 36 1HG2 THR 36 1.644 11.981 -3.575 225 HG23 THR 36 2HG2 THR 36 2.240 10.986 -4.904 226 H ARG 37 H ARG 37 -2.929 12.344 -5.321 227 HA ARG 37 HA ARG 37 -3.284 13.799 -7.853 228 HB2 ARG 37 1HB ARG 37 -5.180 12.441 -5.986 229 HB3 ARG 37 2HB ARG 37 -5.758 13.810 -6.927 230 HG2 ARG 37 1HG ARG 37 -4.780 12.538 -8.949 231 HG3 ARG 37 2HG ARG 37 -4.803 11.140 -7.872 232 HD2 ARG 37 1HD ARG 37 -6.870 10.949 -8.840 233 HD3 ARG 37 2HD ARG 37 -7.268 11.931 -7.430 234 HE ARG 37 HE ARG 37 -6.614 13.489 -9.748 235 HH11 ARG 37 1HH1 ARG 37 -9.148 11.767 -8.096 236 HH12 ARG 37 2HH1 ARG 37 -10.425 12.687 -8.821 237 HH21 ARG 37 1HH2 ARG 37 -8.285 14.707 -10.709 238 HH22 ARG 37 2HH2 ARG 37 -9.933 14.359 -10.308 239 H GLU 38 H GLU 38 -2.678 15.857 -7.613 240 HA GLU 38 HA GLU 38 -2.299 17.903 -6.644 241 HB2 GLU 38 1HB GLU 38 -4.786 17.780 -7.366 242 HB3 GLU 38 2HB GLU 38 -5.125 17.696 -5.642 243 HG2 GLU 38 1HG GLU 38 -3.751 19.820 -5.424 244 HG3 GLU 38 2HG GLU 38 -3.847 19.931 -7.181 245 H ALA 39 H ALA 39 -1.175 16.127 -5.008 246 HA ALA 39 HA ALA 39 -2.200 16.457 -2.309 247 HB1 ALA 39 3HB ALA 39 -0.141 15.075 -1.734 248 HB2 ALA 39 1HB ALA 39 -1.382 14.294 -2.716 249 HB3 ALA 39 2HB ALA 39 0.089 14.903 -3.475 250 H GLY 40 H GLY 40 0.894 17.107 -3.973 251 HA2 GLY 40 1HA GLY 40 1.736 19.441 -3.736 252 HA3 GLY 40 2HA GLY 40 1.333 19.293 -2.032 253 H ALA 41 H ALA 41 2.978 18.866 -0.734 254 HA ALA 41 HA ALA 41 5.232 17.291 -1.788 255 HB1 ALA 41 3HB ALA 41 6.218 19.082 0.173 256 HB2 ALA 41 1HB ALA 41 6.613 19.007 -1.544 257 HB3 ALA 41 2HB ALA 41 5.278 20.018 -0.989 258 H GLY 42 H GLY 42 5.482 15.486 -0.654 259 HA2 GLY 42 1HA GLY 42 5.556 15.506 2.213 260 HA3 GLY 42 2HA GLY 42 4.113 14.719 1.590 261 H GLY 43 H GLY 43 5.525 13.098 3.033 262 HA2 GLY 43 1HA GLY 43 7.178 11.549 1.134 263 HA3 GLY 43 2HA GLY 43 7.480 11.596 2.865 264 H LEU 44 H LEU 44 6.865 9.365 0.947 265 HA LEU 44 HA LEU 44 4.416 8.333 2.203 266 HB2 LEU 44 1HB LEU 44 5.784 7.783 -0.394 267 HB3 LEU 44 2HB LEU 44 4.742 6.555 0.321 268 HG LEU 44 HG LEU 44 3.811 9.354 -0.287 269 HD11 LEU 44 1HD1 LEU 44 4.528 7.403 -2.157 270 HD12 LEU 44 2HD1 LEU 44 3.575 8.861 -2.435 271 HD13 LEU 44 3HD1 LEU 44 2.768 7.341 -2.051 272 HD21 LEU 44 3HD2 LEU 44 1.679 8.597 0.179 273 HD22 LEU 44 1HD2 LEU 44 2.640 7.745 1.386 274 HD23 LEU 44 2HD2 LEU 44 2.110 6.905 -0.070 275 H SER 45 H SER 45 4.801 7.114 3.925 276 HA SER 45 HA SER 45 7.210 5.425 3.957 277 HB2 SER 45 1HB SER 45 5.610 6.745 6.123 278 HB3 SER 45 2HB SER 45 6.559 5.306 6.493 279 HG SER 45 HG SER 45 8.275 6.640 5.275 280 H ILE 46 H ILE 46 6.807 3.407 3.350 281 HA ILE 46 HA ILE 46 4.187 2.223 3.880 282 HB ILE 46 HB ILE 46 6.482 1.181 2.217 283 HG12 ILE 46 1HG1 ILE 46 3.829 2.158 1.193 284 HG13 ILE 46 2HG1 ILE 46 5.161 3.276 1.466 285 HG21 ILE 46 1HG2 ILE 46 4.738 -0.425 3.340 286 HG22 ILE 46 2HG2 ILE 46 3.697 0.139 2.034 287 HG23 ILE 46 3HG2 ILE 46 5.226 -0.658 1.662 288 HD11 ILE 46 3HD1 ILE 46 4.660 1.623 -0.777 289 HD12 ILE 46 1HD1 ILE 46 5.973 2.772 -0.522 290 HD13 ILE 46 2HD1 ILE 46 6.162 1.090 -0.024 291 H ALA 47 H ALA 47 3.850 0.589 5.278 292 HA ALA 47 HA ALA 47 6.159 -0.784 6.449 293 HB1 ALA 47 3HB ALA 47 5.984 0.370 8.341 294 HB2 ALA 47 1HB ALA 47 4.491 1.144 7.808 295 HB3 ALA 47 2HB ALA 47 4.435 -0.432 8.601 296 H VAL 48 H VAL 48 5.821 -2.868 6.062 297 HA VAL 48 HA VAL 48 3.088 -3.900 5.944 298 HB VAL 48 HB VAL 48 5.698 -5.227 5.197 299 HG11 VAL 48 1HG1 VAL 48 3.120 -6.275 4.217 300 HG12 VAL 48 2HG1 VAL 48 4.587 -7.131 4.698 301 HG13 VAL 48 3HG1 VAL 48 3.468 -6.536 5.926 302 HG21 VAL 48 3HG2 VAL 48 3.767 -4.725 3.081 303 HG22 VAL 48 1HG2 VAL 48 4.334 -3.243 3.851 304 HG23 VAL 48 2HG2 VAL 48 5.493 -4.370 3.144 305 H GLU 49 H GLU 49 2.308 -4.457 7.881 306 HA GLU 49 HA GLU 49 4.035 -6.059 9.653 307 HB2 GLU 49 1HB GLU 49 1.813 -4.142 10.372 308 HB3 GLU 49 2HB GLU 49 2.596 -5.217 11.521 309 HG2 GLU 49 1HG GLU 49 4.636 -4.080 11.371 310 HG3 GLU 49 2HG GLU 49 4.159 -3.246 9.893 311 H GLY 50 H GLY 50 3.442 -8.109 9.850 312 HA2 GLY 50 1HA GLY 50 0.596 -8.785 9.919 313 HA3 GLY 50 2HA GLY 50 1.571 -9.539 8.665 314 HA PRO 51 HA PRO 51 1.639 -12.380 12.290 315 HB2 PRO 51 1HB PRO 51 1.453 -14.638 10.796 316 HB3 PRO 51 2HB PRO 51 0.041 -13.708 11.309 317 HG2 PRO 51 1HG PRO 51 1.460 -13.697 8.673 318 HG3 PRO 51 2HG PRO 51 -0.282 -13.696 9.007 319 HD2 PRO 51 1HD PRO 51 1.074 -11.450 8.337 320 HD3 PRO 51 2HD PRO 51 -0.329 -11.430 9.426 321 H SER 52 H SER 52 3.431 -12.237 9.288 322 HA SER 52 HA SER 52 5.782 -13.294 10.696 323 HB2 SER 52 1HB SER 52 4.864 -14.083 7.922 324 HB3 SER 52 2HB SER 52 6.454 -14.463 8.582 325 HG SER 52 HG SER 52 3.990 -15.237 9.761 326 H LYS 53 H LYS 53 7.835 -12.743 9.562 327 HA LYS 53 HA LYS 53 7.928 -9.966 9.013 328 HB2 LYS 53 1HB LYS 53 9.755 -11.634 9.932 329 HB3 LYS 53 2HB LYS 53 10.167 -11.785 8.229 330 HG2 LYS 53 1HG LYS 53 10.387 -9.293 8.153 331 HG3 LYS 53 2HG LYS 53 10.201 -9.291 9.908 332 HD2 LYS 53 1HD LYS 53 12.233 -10.336 10.256 333 HD3 LYS 53 2HD LYS 53 12.260 -11.048 8.640 334 HE2 LYS 53 1HE LYS 53 13.897 -9.339 8.644 335 HE3 LYS 53 2HE LYS 53 12.520 -8.706 7.743 336 HZ1 LYS 53 3HZ LYS 53 12.221 -7.087 9.222 337 HZ2 LYS 53 1HZ LYS 53 13.764 -7.462 9.806 338 HZ3 LYS 53 2HZ LYS 53 12.396 -8.121 10.549 339 H ALA 54 H ALA 54 8.058 -8.848 7.131 340 HA ALA 54 HA ALA 54 7.985 -10.401 4.628 341 HB1 ALA 54 3HB ALA 54 6.546 -7.800 4.807 342 HB2 ALA 54 1HB ALA 54 6.224 -9.204 3.787 343 HB3 ALA 54 2HB ALA 54 5.798 -9.241 5.498 344 H GLU 55 H GLU 55 9.308 -9.738 3.027 345 HA GLU 55 HA GLU 55 11.312 -7.788 3.623 346 HB2 GLU 55 1HB GLU 55 11.788 -9.833 2.322 347 HB3 GLU 55 2HB GLU 55 10.752 -9.239 1.031 348 HG2 GLU 55 1HG GLU 55 12.272 -7.249 0.864 349 HG3 GLU 55 2HG GLU 55 13.362 -8.084 1.971 350 H ILE 56 H ILE 56 11.744 -5.846 2.524 351 HA ILE 56 HA ILE 56 9.650 -4.791 0.777 352 HB ILE 56 HB ILE 56 10.628 -3.291 3.209 353 HG12 ILE 56 1HG1 ILE 56 7.828 -4.292 2.711 354 HG13 ILE 56 2HG1 ILE 56 9.019 -5.251 3.582 355 HG21 ILE 56 1HG2 ILE 56 9.938 -2.110 0.975 356 HG22 ILE 56 2HG2 ILE 56 8.306 -2.465 1.534 357 HG23 ILE 56 3HG2 ILE 56 9.383 -1.484 2.528 358 HD11 ILE 56 3HD1 ILE 56 7.285 -3.464 4.696 359 HD12 ILE 56 1HD1 ILE 56 8.766 -4.062 5.446 360 HD13 ILE 56 2HD1 ILE 56 8.774 -2.526 4.578 361 H THR 57 H THR 57 10.470 -3.695 -0.886 362 HA THR 57 HA THR 57 13.206 -2.625 -0.651 363 HB THR 57 HB THR 57 12.048 -3.981 -3.096 364 HG1 THR 57 1HG THR 57 12.609 -5.510 -1.527 365 HG21 THR 57 3HG2 THR 57 13.776 -3.190 -4.274 366 HG22 THR 57 1HG2 THR 57 14.925 -3.581 -2.995 367 HG23 THR 57 2HG2 THR 57 14.036 -2.058 -2.948 368 H PHE 58 H PHE 58 12.944 -0.480 -0.635 369 HA PHE 58 HA PHE 58 11.067 0.714 -2.565 370 HB2 PHE 58 1HB PHE 58 10.740 1.138 -0.071 371 HB3 PHE 58 2HB PHE 58 12.219 2.090 -0.141 372 HD1 PHE 58 2HD PHE 58 12.285 4.016 -1.841 373 HD2 PHE 58 1HD PHE 58 8.699 2.110 -0.566 374 HE1 PHE 58 2HE PHE 58 10.988 5.974 -2.571 375 HE2 PHE 58 1HE PHE 58 7.397 4.066 -1.296 376 HZ PHE 58 HZ PHE 58 8.541 6.002 -2.298 377 H ASP 59 H ASP 59 12.055 1.417 -4.332 378 HA ASP 59 HA ASP 59 14.722 2.642 -4.060 379 HB2 ASP 59 1HB ASP 59 13.518 0.942 -6.219 380 HB3 ASP 59 2HB ASP 59 14.805 2.079 -6.610 381 H ASP 60 H ASP 60 15.127 4.592 -5.047 382 HA ASP 60 HA ASP 60 12.758 6.132 -5.770 383 HB2 ASP 60 1HB ASP 60 14.258 8.091 -5.603 384 HB3 ASP 60 2HB ASP 60 14.260 7.123 -4.132 385 H HIS 61 H HIS 61 12.310 5.387 -7.844 386 HA HIS 61 HA HIS 61 13.814 6.646 -9.936 387 HB2 HIS 61 1HB HIS 61 14.573 4.753 -11.117 388 HB3 HIS 61 2HB HIS 61 15.027 4.444 -9.443 389 HD1 HIS 61 1HD HIS 61 13.110 3.056 -12.238 390 HD2 HIS 61 2HD HIS 61 13.316 2.515 -8.124 391 HE1 HIS 61 1HE HIS 61 11.955 0.867 -11.789 392 H LYS 62 H LYS 62 12.779 6.391 -12.054 393 HA LYS 62 HA LYS 62 10.174 6.974 -12.190 394 HB2 LYS 62 1HB LYS 62 11.784 5.296 -14.106 395 HB3 LYS 62 2HB LYS 62 10.144 5.819 -14.468 396 HG2 LYS 62 1HG LYS 62 11.156 8.185 -13.853 397 HG3 LYS 62 2HG LYS 62 12.656 7.388 -14.334 398 HD2 LYS 62 1HD LYS 62 10.203 7.275 -16.061 399 HD3 LYS 62 2HD LYS 62 11.314 8.645 -16.132 400 HE2 LYS 62 1HE LYS 62 13.142 6.840 -16.424 401 HE3 LYS 62 2HE LYS 62 11.800 5.776 -16.842 402 HZ1 LYS 62 3HZ LYS 62 12.727 6.751 -18.821 403 HZ2 LYS 62 1HZ LYS 62 12.521 8.314 -18.206 404 HZ3 LYS 62 2HZ LYS 62 11.171 7.367 -18.580 405 H ASN 63 H ASN 63 8.404 6.070 -11.392 406 HA ASN 63 HA ASN 63 8.325 3.202 -10.901 407 HB2 ASN 63 1HB ASN 63 6.108 5.129 -10.249 408 HB3 ASN 63 2HB ASN 63 6.522 3.615 -9.450 409 HD21 ASN 63 1HD2 ASN 63 8.381 3.555 -8.108 410 HD22 ASN 63 2HD2 ASN 63 8.988 5.000 -7.380 411 H GLY 64 H GLY 64 8.186 4.298 -13.639 412 HA2 GLY 64 1HA GLY 64 5.799 4.460 -14.877 413 HA3 GLY 64 2HA GLY 64 7.129 3.535 -15.555 414 H SER 65 H SER 65 7.331 1.257 -14.691 415 HA SER 65 HA SER 65 4.771 -0.026 -14.985 416 HB2 SER 65 1HB SER 65 7.008 -0.834 -15.952 417 HB3 SER 65 2HB SER 65 7.366 -1.413 -14.325 418 HG SER 65 HG SER 65 4.908 -2.106 -15.456 419 H CYS 66 H CYS 66 7.303 -0.049 -12.475 420 HA CYS 66 HA CYS 66 5.270 -0.236 -10.417 421 HB2 CYS 66 1HB CYS 66 7.447 -2.317 -10.436 422 HB3 CYS 66 2HB CYS 66 5.991 -2.269 -9.449 423 HG CYS 66 HG CYS 66 5.991 -4.349 -11.455 424 H GLY 67 H GLY 67 6.574 -0.556 -8.188 425 HA2 GLY 67 1HA GLY 67 9.100 0.900 -8.233 426 HA3 GLY 67 2HA GLY 67 7.754 1.707 -7.441 427 H VAL 68 H VAL 68 6.714 0.556 -5.641 428 HA VAL 68 HA VAL 68 8.718 -0.570 -3.904 429 HB VAL 68 HB VAL 68 5.767 -0.158 -3.403 430 HG11 VAL 68 1HG1 VAL 68 7.242 -1.792 -1.971 431 HG12 VAL 68 2HG1 VAL 68 7.825 -0.290 -1.252 432 HG13 VAL 68 3HG1 VAL 68 6.107 -0.687 -1.197 433 HG21 VAL 68 3HG2 VAL 68 8.019 1.683 -3.476 434 HG22 VAL 68 1HG2 VAL 68 6.287 2.014 -3.430 435 HG23 VAL 68 2HG2 VAL 68 7.167 1.708 -1.932 436 H SER 69 H SER 69 8.884 -2.638 -3.174 437 HA SER 69 HA SER 69 6.913 -4.600 -4.118 438 HB2 SER 69 1HB SER 69 8.659 -6.128 -4.826 439 HB3 SER 69 2HB SER 69 8.874 -4.588 -5.660 440 HG SER 69 HG SER 69 10.231 -5.193 -3.255 441 H TYR 70 H TYR 70 6.764 -6.505 -2.863 442 HA TYR 70 HA TYR 70 8.352 -6.761 -0.462 443 HB2 TYR 70 1HB TYR 70 6.647 -6.452 1.128 444 HB3 TYR 70 2HB TYR 70 6.460 -5.097 0.021 445 HD1 TYR 70 1HD TYR 70 5.074 -8.388 0.978 446 HD2 TYR 70 2HD TYR 70 4.466 -4.805 -1.234 447 HE1 TYR 70 1HE TYR 70 2.725 -9.018 0.618 448 HE2 TYR 70 2HE TYR 70 2.114 -5.425 -1.600 449 HH TYR 70 HH TYR 70 0.391 -6.990 -0.254 450 H ILE 71 H ILE 71 8.301 -8.813 0.405 451 HA ILE 71 HA ILE 71 6.562 -10.763 -0.956 452 HB ILE 71 HB ILE 71 9.488 -11.017 -0.290 453 HG12 ILE 71 1HG1 ILE 71 8.027 -11.592 -2.870 454 HG13 ILE 71 2HG1 ILE 71 8.715 -10.017 -2.490 455 HG21 ILE 71 1HG2 ILE 71 8.958 -13.402 -1.356 456 HG22 ILE 71 2HG2 ILE 71 8.900 -13.103 0.380 457 HG23 ILE 71 3HG2 ILE 71 7.410 -13.108 -0.564 458 HD11 ILE 71 3HD1 ILE 71 10.790 -11.786 -2.031 459 HD12 ILE 71 1HD1 ILE 71 9.997 -12.408 -3.477 460 HD13 ILE 71 2HD1 ILE 71 10.580 -10.744 -3.439 461 H ALA 72 H ALA 72 5.739 -12.431 0.273 462 HA ALA 72 HA ALA 72 6.237 -12.253 3.175 463 HB1 ALA 72 3HB ALA 72 3.817 -11.891 1.781 464 HB2 ALA 72 1HB ALA 72 3.694 -13.437 2.622 465 HB3 ALA 72 2HB ALA 72 4.065 -11.968 3.525 466 H GLN 73 H GLN 73 7.627 -13.914 3.501 467 HA GLN 73 HA GLN 73 7.818 -16.304 2.163 468 HB2 GLN 73 1HB GLN 73 8.297 -15.863 5.115 469 HB3 GLN 73 2HB GLN 73 8.933 -17.193 4.158 470 HG2 GLN 73 1HG GLN 73 9.626 -14.278 3.942 471 HG3 GLN 73 2HG GLN 73 10.673 -15.607 4.438 472 HE21 GLN 73 1HE2 GLN 73 10.585 -13.548 2.155 473 HE22 GLN 73 2HE2 GLN 73 10.932 -14.498 0.754 474 H GLU 74 H GLU 74 5.702 -15.484 4.867 475 HA GLU 74 HA GLU 74 4.345 -18.075 4.500 476 HB2 GLU 74 1HB GLU 74 4.455 -16.356 6.985 477 HB3 GLU 74 2HB GLU 74 3.595 -17.883 6.832 478 HG2 GLU 74 1HG GLU 74 6.552 -17.673 6.383 479 HG3 GLU 74 2HG GLU 74 5.859 -17.918 7.984 480 HA PRO 75 HA PRO 75 0.767 -15.869 3.193 481 HB2 PRO 75 1HB PRO 75 -1.123 -17.729 3.778 482 HB3 PRO 75 2HB PRO 75 -0.007 -17.888 2.417 483 HG2 PRO 75 1HG PRO 75 0.130 -19.135 5.134 484 HG3 PRO 75 2HG PRO 75 0.451 -19.866 3.551 485 HD2 PRO 75 1HD PRO 75 2.431 -19.033 5.200 486 HD3 PRO 75 2HD PRO 75 2.574 -18.977 3.430 487 H GLY 76 H GLY 76 -1.148 -14.854 3.981 488 HA2 GLY 76 1HA GLY 76 -2.533 -15.017 6.244 489 HA3 GLY 76 2HA GLY 76 -1.031 -14.332 6.846 490 H ASN 77 H ASN 77 -3.048 -12.798 7.366 491 HA ASN 77 HA ASN 77 -3.563 -10.944 5.187 492 HB2 ASN 77 1HB ASN 77 -5.136 -9.884 6.681 493 HB3 ASN 77 2HB ASN 77 -5.370 -11.627 6.772 494 HD21 ASN 77 1HD2 ASN 77 -5.799 -9.266 8.644 495 HD22 ASN 77 2HD2 ASN 77 -5.094 -9.791 10.132 496 H TYR 78 H TYR 78 -1.789 -9.739 4.760 497 HA TYR 78 HA TYR 78 -0.259 -8.569 6.942 498 HB2 TYR 78 1HB TYR 78 0.115 -8.651 3.953 499 HB3 TYR 78 2HB TYR 78 1.115 -7.639 4.989 500 HD1 TYR 78 2HD TYR 78 0.073 -11.164 4.428 501 HD2 TYR 78 1HD TYR 78 2.989 -8.535 6.069 502 HE1 TYR 78 2HE TYR 78 1.546 -13.083 4.867 503 HE2 TYR 78 1HE TYR 78 4.472 -10.447 6.511 504 HH TYR 78 HH TYR 78 3.434 -13.769 5.846 505 H GLU 79 H GLU 79 -0.539 -6.570 7.676 506 HA GLU 79 HA GLU 79 -2.349 -4.790 6.205 507 HB2 GLU 79 1HB GLU 79 -2.579 -5.516 8.740 508 HB3 GLU 79 2HB GLU 79 -1.434 -4.205 8.986 509 HG2 GLU 79 1HG GLU 79 -3.038 -2.742 7.689 510 HG3 GLU 79 2HG GLU 79 -4.201 -4.057 7.838 511 H VAL 80 H VAL 80 -1.330 -3.418 4.903 512 HA VAL 80 HA VAL 80 1.342 -2.464 5.556 513 HB VAL 80 HB VAL 80 -0.319 -1.826 3.117 514 HG11 VAL 80 1HG1 VAL 80 2.471 -1.262 3.966 515 HG12 VAL 80 2HG1 VAL 80 2.177 -1.610 2.262 516 HG13 VAL 80 3HG1 VAL 80 1.345 -0.266 3.045 517 HG21 VAL 80 3HG2 VAL 80 0.511 -4.324 3.788 518 HG22 VAL 80 1HG2 VAL 80 0.294 -3.754 2.133 519 HG23 VAL 80 2HG2 VAL 80 1.897 -3.738 2.869 520 H SER 81 H SER 81 1.427 -0.812 6.941 521 HA SER 81 HA SER 81 -0.672 1.188 7.008 522 HB2 SER 81 1HB SER 81 0.239 0.371 9.127 523 HB3 SER 81 2HB SER 81 1.851 0.908 8.659 524 HG SER 81 HG SER 81 0.531 3.040 8.396 525 H ILE 82 H ILE 82 -0.629 2.877 5.694 526 HA ILE 82 HA ILE 82 1.981 3.905 4.797 527 HB ILE 82 HB ILE 82 -0.714 4.193 3.463 528 HG12 ILE 82 1HG1 ILE 82 1.702 2.638 2.528 529 HG13 ILE 82 2HG1 ILE 82 0.356 1.907 3.396 530 HG21 ILE 82 1HG2 ILE 82 1.631 4.803 1.868 531 HG22 ILE 82 2HG2 ILE 82 0.157 5.737 2.114 532 HG23 ILE 82 3HG2 ILE 82 1.481 5.862 3.271 533 HD11 ILE 82 3HD1 ILE 82 0.438 1.806 0.811 534 HD12 ILE 82 1HD1 ILE 82 -1.089 2.152 1.624 535 HD13 ILE 82 2HD1 ILE 82 -0.154 3.466 0.906 536 H LYS 83 H LYS 83 2.559 5.915 5.326 537 HA LYS 83 HA LYS 83 0.491 7.752 6.333 538 HB2 LYS 83 1HB LYS 83 3.085 6.946 7.577 539 HB3 LYS 83 2HB LYS 83 2.513 8.592 7.811 540 HG2 LYS 83 1HG LYS 83 0.281 7.334 8.470 541 HG3 LYS 83 2HG LYS 83 1.419 6.035 8.835 542 HD2 LYS 83 1HD LYS 83 2.036 8.767 9.835 543 HD3 LYS 83 2HD LYS 83 0.756 7.855 10.640 544 HE2 LYS 83 1HE LYS 83 3.409 6.579 10.108 545 HE3 LYS 83 2HE LYS 83 3.212 7.665 11.483 546 HZ1 LYS 83 3HZ LYS 83 1.539 5.265 10.975 547 HZ2 LYS 83 1HZ LYS 83 1.468 6.271 12.334 548 HZ3 LYS 83 2HZ LYS 83 2.841 5.322 12.054 549 H PHE 84 H PHE 84 0.379 9.475 5.068 550 HA PHE 84 HA PHE 84 2.703 10.258 3.482 551 HB2 PHE 84 1HB PHE 84 0.528 9.984 2.342 552 HB3 PHE 84 2HB PHE 84 -0.152 11.252 3.357 553 HD1 PHE 84 2HD PHE 84 2.868 10.791 1.206 554 HD2 PHE 84 1HD PHE 84 -0.386 13.286 2.347 555 HE1 PHE 84 2HE PHE 84 3.597 12.482 -0.425 556 HE2 PHE 84 1HE PHE 84 0.337 14.982 0.716 557 HZ PHE 84 HZ PHE 84 2.332 14.580 -0.671 558 H ASN 85 H ASN 85 3.883 12.022 3.881 559 HA ASN 85 HA ASN 85 4.749 13.751 5.104 560 HB2 ASN 85 1HB ASN 85 3.378 15.754 5.092 561 HB3 ASN 85 2HB ASN 85 3.154 14.887 3.576 562 HD21 ASN 85 1HD2 ASN 85 1.141 15.053 2.931 563 HD22 ASN 85 2HD2 ASN 85 -0.265 14.942 3.929 564 H ASP 86 H ASP 86 3.740 11.569 6.693 565 HA ASP 86 HA ASP 86 3.564 11.097 8.920 566 HB2 ASP 86 1HB ASP 86 4.927 13.313 9.077 567 HB3 ASP 86 2HB ASP 86 3.396 14.020 9.586 568 H GLU 87 H GLU 87 1.310 11.089 7.337 569 HA GLU 87 HA GLU 87 -0.743 11.681 9.323 570 HB2 GLU 87 1HB GLU 87 -0.559 12.911 6.617 571 HB3 GLU 87 2HB GLU 87 -2.152 12.447 7.197 572 HG2 GLU 87 1HG GLU 87 -1.631 13.783 9.282 573 HG3 GLU 87 2HG GLU 87 -0.244 14.422 8.402 574 H HIS 88 H HIS 88 -2.456 10.275 9.299 575 HA HIS 88 HA HIS 88 -2.091 7.876 7.699 576 HB2 HIS 88 1HB HIS 88 -3.525 8.577 10.193 577 HB3 HIS 88 2HB HIS 88 -4.267 7.324 9.202 578 HD2 HIS 88 2HD HIS 88 -1.106 7.865 11.415 579 HE1 HIS 88 1HE HIS 88 -1.236 3.794 10.226 580 HE2 HIS 88 2HE HIS 88 -0.151 5.484 11.746 581 H ILE 89 H ILE 89 -2.795 8.283 5.650 582 HA ILE 89 HA ILE 89 -4.967 9.820 4.873 583 HB ILE 89 HB ILE 89 -5.013 8.258 2.829 584 HG12 ILE 89 1HG1 ILE 89 -2.462 7.259 4.107 585 HG13 ILE 89 2HG1 ILE 89 -3.966 6.345 4.075 586 HG21 ILE 89 1HG2 ILE 89 -2.583 9.816 3.672 587 HG22 ILE 89 2HG2 ILE 89 -2.792 9.168 2.046 588 HG23 ILE 89 3HG2 ILE 89 -3.932 10.358 2.674 589 HD11 ILE 89 3HD1 ILE 89 -1.964 6.246 2.203 590 HD12 ILE 89 1HD1 ILE 89 -3.616 5.664 1.991 591 HD13 ILE 89 2HD1 ILE 89 -3.173 7.283 1.446 592 HA PRO 90 HA PRO 90 -8.610 7.572 5.841 593 HB2 PRO 90 1HB PRO 90 -10.184 8.131 3.701 594 HB3 PRO 90 2HB PRO 90 -9.796 9.324 4.947 595 HG2 PRO 90 1HG PRO 90 -8.572 8.943 2.242 596 HG3 PRO 90 2HG PRO 90 -9.034 10.448 3.059 597 HD2 PRO 90 1HD PRO 90 -6.476 9.568 2.968 598 HD3 PRO 90 2HD PRO 90 -7.122 10.488 4.343 599 H GLU 91 H GLU 91 -6.515 6.544 3.541 600 HA GLU 91 HA GLU 91 -8.216 4.269 2.758 601 HB2 GLU 91 1HB GLU 91 -5.828 5.477 1.353 602 HB3 GLU 91 2HB GLU 91 -6.605 3.979 0.862 603 HG2 GLU 91 1HG GLU 91 -7.608 5.470 -0.545 604 HG3 GLU 91 2HG GLU 91 -8.756 5.451 0.793 605 H SER 92 H SER 92 -5.552 5.229 4.598 606 HA SER 92 HA SER 92 -4.535 2.466 4.723 607 HB2 SER 92 1HB SER 92 -2.400 3.251 5.052 608 HB3 SER 92 2HB SER 92 -3.044 4.585 4.095 609 HG SER 92 HG SER 92 -1.954 4.816 6.399 610 HA PRO 93 HA PRO 93 -2.770 1.696 6.174 611 HB2 PRO 93 1HB PRO 93 -3.115 -0.634 7.522 612 HB3 PRO 93 2HB PRO 93 -2.221 0.738 8.189 613 HG2 PRO 93 1HG PRO 93 -5.046 -0.113 8.702 614 HG3 PRO 93 2HG PRO 93 -3.819 0.447 9.854 615 HD2 PRO 93 1HD PRO 93 -5.787 2.057 8.925 616 HD3 PRO 93 2HD PRO 93 -4.174 2.667 9.346 617 H TYR 94 H TYR 94 -2.734 -0.511 5.089 618 HA TYR 94 HA TYR 94 -5.358 -1.017 3.851 619 HB2 TYR 94 1HB TYR 94 -2.577 -1.276 2.697 620 HB3 TYR 94 2HB TYR 94 -4.029 -1.854 1.888 621 HD1 TYR 94 2HD TYR 94 -2.617 1.253 3.403 622 HD2 TYR 94 1HD TYR 94 -5.125 -0.443 0.415 623 HE1 TYR 94 2HE TYR 94 -2.952 3.485 2.428 624 HE2 TYR 94 1HE TYR 94 -5.469 1.785 -0.569 625 HH TYR 94 HH TYR 94 -3.572 4.390 0.072 626 H LEU 95 H LEU 95 -5.942 -3.167 3.367 627 HA LEU 95 HA LEU 95 -4.420 -5.204 4.857 628 HB2 LEU 95 1HB LEU 95 -6.657 -4.515 5.815 629 HB3 LEU 95 2HB LEU 95 -7.392 -5.239 4.386 630 HG LEU 95 HG LEU 95 -6.403 -7.419 5.041 631 HD11 LEU 95 1HD1 LEU 95 -5.480 -7.703 7.260 632 HD12 LEU 95 2HD1 LEU 95 -5.665 -5.981 7.586 633 HD13 LEU 95 3HD1 LEU 95 -4.527 -6.526 6.355 634 HD21 LEU 95 3HD2 LEU 95 -7.974 -7.875 6.819 635 HD22 LEU 95 1HD2 LEU 95 -8.710 -6.784 5.644 636 HD23 LEU 95 2HD2 LEU 95 -8.114 -6.153 7.179 637 H VAL 96 H VAL 96 -3.461 -6.555 3.498 638 HA VAL 96 HA VAL 96 -4.897 -7.334 1.042 639 HB VAL 96 HB VAL 96 -1.911 -7.491 1.286 640 HG11 VAL 96 1HG1 VAL 96 -2.190 -8.397 -0.726 641 HG12 VAL 96 2HG1 VAL 96 -3.902 -7.970 -0.750 642 HG13 VAL 96 3HG1 VAL 96 -2.694 -6.806 -1.295 643 HG21 VAL 96 3HG2 VAL 96 -1.810 -5.277 0.143 644 HG22 VAL 96 1HG2 VAL 96 -3.528 -5.078 0.484 645 HG23 VAL 96 2HG2 VAL 96 -2.373 -5.198 1.811 646 HA PRO 97 HA PRO 97 -4.766 -11.298 3.152 647 HB2 PRO 97 1HB PRO 97 -6.400 -12.552 1.384 648 HB3 PRO 97 2HB PRO 97 -7.002 -11.487 2.660 649 HG2 PRO 97 1HG PRO 97 -6.549 -10.900 -0.240 650 HG3 PRO 97 2HG PRO 97 -7.913 -10.439 0.795 651 HD2 PRO 97 1HD PRO 97 -5.911 -8.725 0.173 652 HD3 PRO 97 2HD PRO 97 -6.771 -8.667 1.726 653 H VAL 98 H VAL 98 -2.739 -12.107 2.841 654 HA VAL 98 HA VAL 98 -1.906 -12.909 0.158 655 HB VAL 98 HB VAL 98 -0.365 -12.935 2.758 656 HG11 VAL 98 1HG1 VAL 98 1.380 -12.927 0.571 657 HG12 VAL 98 2HG1 VAL 98 1.085 -14.249 1.701 658 HG13 VAL 98 3HG1 VAL 98 0.160 -14.146 0.201 659 HG21 VAL 98 3HG2 VAL 98 -0.071 -11.059 0.419 660 HG22 VAL 98 1HG2 VAL 98 -1.007 -10.684 1.865 661 HG23 VAL 98 2HG2 VAL 98 0.730 -10.960 1.986 662 H ILE 99 H ILE 99 -1.855 -14.961 -0.523 663 HA ILE 99 HA ILE 99 -2.264 -17.096 1.468 664 HB ILE 99 HB ILE 99 -3.570 -18.335 -0.209 665 HG12 ILE 99 1HG1 ILE 99 -3.844 -15.849 -1.850 666 HG13 ILE 99 2HG1 ILE 99 -2.446 -16.888 -2.106 667 HG21 ILE 99 1HG2 ILE 99 -5.003 -17.292 1.240 668 HG22 ILE 99 2HG2 ILE 99 -4.449 -15.677 0.798 669 HG23 ILE 99 3HG2 ILE 99 -5.519 -16.569 -0.283 670 HD11 ILE 99 3HD1 ILE 99 -4.067 -17.545 -3.678 671 HD12 ILE 99 1HD1 ILE 99 -4.073 -18.785 -2.425 672 HD13 ILE 99 2HD1 ILE 99 -5.346 -17.565 -2.464 673 H ALA 100 H ALA 100 -1.391 -19.170 0.922 674 HA ALA 100 HA ALA 100 1.146 -18.967 -0.433 675 HB1 ALA 100 3HB ALA 100 -0.171 -20.893 1.361 676 HB2 ALA 100 1HB ALA 100 0.953 -21.587 0.190 677 HB3 ALA 100 2HB ALA 100 1.504 -20.343 1.314 678 HA PRO 101 HA PRO 101 -0.638 -20.250 -4.330 679 HB2 PRO 101 1HB PRO 101 1.678 -20.073 -5.736 680 HB3 PRO 101 2HB PRO 101 0.707 -18.661 -5.302 681 HG2 PRO 101 1HG PRO 101 3.166 -19.747 -3.984 682 HG3 PRO 101 2HG PRO 101 2.741 -18.064 -4.348 683 HD2 PRO 101 1HD PRO 101 2.453 -19.138 -1.879 684 HD3 PRO 101 2HD PRO 101 1.368 -17.880 -2.504 685 H SER 102 H SER 102 -1.045 -22.307 -4.806 686 HA SER 102 HA SER 102 1.015 -24.329 -4.262 687 HB2 SER 102 1HB SER 102 -1.191 -24.609 -3.144 688 HB3 SER 102 2HB SER 102 -1.951 -24.727 -4.730 689 HG SER 102 HG SER 102 0.106 -26.452 -3.808 690 H ASP 103 H ASP 103 1.768 -25.674 -5.828 691 HA ASP 103 HA ASP 103 0.831 -25.147 -8.571 692 HB2 ASP 103 1HB ASP 103 3.557 -26.231 -7.895 693 HB3 ASP 103 2HB ASP 103 3.024 -25.436 -9.375 694 H ASP 104 H ASP 104 -0.236 -26.768 -9.468 695 HA ASP 104 HA ASP 104 -0.232 -29.396 -8.315 696 HB2 ASP 104 1HB ASP 104 -1.743 -29.906 -10.303 697 HB3 ASP 104 2HB ASP 104 -2.315 -28.673 -9.182 698 H ALA 105 H ALA 105 0.903 -27.982 -11.365 699 HA ALA 105 HA ALA 105 1.985 -30.465 -12.316 700 HB1 ALA 105 3HB ALA 105 2.027 -27.639 -13.288 701 HB2 ALA 105 1HB ALA 105 3.098 -28.841 -14.006 702 HB3 ALA 105 2HB ALA 105 1.351 -29.077 -14.053 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.946 30.718 -8.247 2 HA2 GLY 1 1HA GLY 1 -0.778 29.800 -6.037 3 HA3 GLY 1 2HA GLY 1 0.567 28.811 -6.589 4 H SER 2 H SER 2 0.585 29.414 -4.006 5 HA SER 2 HA SER 2 2.723 31.420 -3.798 6 HB2 SER 2 1HB SER 2 0.432 32.207 -2.927 7 HB3 SER 2 2HB SER 2 0.677 31.053 -1.617 8 HG SER 2 HG SER 2 2.665 32.159 -1.174 9 H SER 3 H SER 3 4.249 31.057 -2.124 10 HA SER 3 HA SER 3 4.342 28.250 -1.243 11 HB2 SER 3 1HB SER 3 6.765 28.476 -1.169 12 HB3 SER 3 2HB SER 3 6.177 28.977 -2.753 13 HG SER 3 HG SER 3 6.155 31.173 -1.553 14 H GLY 4 H GLY 4 5.646 27.937 0.823 15 HA2 GLY 4 1HA GLY 4 6.365 28.980 2.919 16 HA3 GLY 4 2HA GLY 4 5.021 30.097 2.738 17 H SER 5 H SER 5 3.297 29.686 3.938 18 HA SER 5 HA SER 5 2.830 26.907 4.799 19 HB2 SER 5 1HB SER 5 2.296 29.449 6.355 20 HB3 SER 5 2HB SER 5 1.897 27.821 6.897 21 HG SER 5 HG SER 5 4.530 28.354 6.126 22 H SER 6 H SER 6 1.748 27.955 2.437 23 HA SER 6 HA SER 6 -1.100 27.828 3.094 24 HB2 SER 6 1HB SER 6 -1.576 29.630 1.427 25 HB3 SER 6 2HB SER 6 -0.701 30.202 2.847 26 HG SER 6 HG SER 6 0.141 29.968 0.206 27 H GLY 7 H GLY 7 -1.842 26.106 2.054 28 HA2 GLY 7 1HA GLY 7 -1.731 25.846 -0.756 29 HA3 GLY 7 2HA GLY 7 -0.546 24.772 -0.028 30 H GLU 8 H GLU 8 -3.302 24.519 -1.444 31 HA GLU 8 HA GLU 8 -4.780 23.027 0.572 32 HB2 GLU 8 1HB GLU 8 -6.503 22.800 -1.174 33 HB3 GLU 8 2HB GLU 8 -6.053 24.478 -0.906 34 HG2 GLU 8 1HG GLU 8 -4.599 24.376 -2.890 35 HG3 GLU 8 2HG GLU 8 -5.143 22.725 -3.176 36 H GLY 9 H GLY 9 -4.773 20.873 0.764 37 HA2 GLY 9 1HA GLY 9 -4.839 18.738 -0.557 38 HA3 GLY 9 2HA GLY 9 -3.381 19.331 -1.338 39 H GLY 10 H GLY 10 -3.836 16.871 0.214 40 HA2 GLY 10 1HA GLY 10 -1.416 16.886 1.693 41 HA3 GLY 10 2HA GLY 10 -2.789 16.964 2.787 42 H ALA 11 H ALA 11 -2.733 14.978 3.695 43 HA ALA 11 HA ALA 11 -2.098 12.587 2.350 44 HB1 ALA 11 3HB ALA 11 -1.872 12.572 4.689 45 HB2 ALA 11 1HB ALA 11 -3.519 13.152 4.936 46 HB3 ALA 11 2HB ALA 11 -3.241 11.510 4.353 47 H HIS 12 H HIS 12 -5.292 13.578 3.607 48 HA HIS 12 HA HIS 12 -6.905 11.700 2.556 49 HB2 HIS 12 1HB HIS 12 -8.697 13.330 2.479 50 HB3 HIS 12 2HB HIS 12 -7.677 13.656 3.877 51 HD1 HIS 12 1HD HIS 12 -5.451 15.281 2.463 52 HD2 HIS 12 2HD HIS 12 -9.524 15.862 1.889 53 HE1 HIS 12 1HE HIS 12 -5.683 17.647 1.644 54 H LYS 13 H LYS 13 -5.153 14.091 0.759 55 HA LYS 13 HA LYS 13 -6.584 13.462 -1.709 56 HB2 LYS 13 1HB LYS 13 -4.384 15.455 -1.141 57 HB3 LYS 13 2HB LYS 13 -5.169 15.247 -2.700 58 HG2 LYS 13 1HG LYS 13 -6.846 15.820 -0.308 59 HG3 LYS 13 2HG LYS 13 -5.927 17.130 -1.053 60 HD2 LYS 13 1HD LYS 13 -7.861 17.300 -2.254 61 HD3 LYS 13 2HD LYS 13 -7.000 16.134 -3.261 62 HE2 LYS 13 1HE LYS 13 -8.317 14.381 -2.594 63 HE3 LYS 13 2HE LYS 13 -8.686 15.110 -1.032 64 HZ1 LYS 13 3HZ LYS 13 -9.698 16.437 -3.435 65 HZ2 LYS 13 1HZ LYS 13 -10.386 16.322 -1.894 66 HZ3 LYS 13 2HZ LYS 13 -10.456 15.004 -2.951 67 H VAL 14 H VAL 14 -5.199 11.306 -0.657 68 HA VAL 14 HA VAL 14 -3.180 10.898 -2.742 69 HB VAL 14 HB VAL 14 -2.777 10.158 0.159 70 HG11 VAL 14 1HG1 VAL 14 -1.922 8.664 -1.866 71 HG12 VAL 14 2HG1 VAL 14 -0.629 9.864 -1.864 72 HG13 VAL 14 3HG1 VAL 14 -0.957 8.919 -0.412 73 HG21 VAL 14 3HG2 VAL 14 -2.276 12.569 -1.137 74 HG22 VAL 14 1HG2 VAL 14 -1.620 12.042 0.412 75 HG23 VAL 14 2HG2 VAL 14 -0.711 11.760 -1.072 76 H ARG 15 H ARG 15 -3.909 9.269 -3.929 77 HA ARG 15 HA ARG 15 -5.430 7.121 -2.626 78 HB2 ARG 15 1HB ARG 15 -6.252 8.518 -4.699 79 HB3 ARG 15 2HB ARG 15 -5.227 7.406 -5.596 80 HG2 ARG 15 1HG ARG 15 -6.536 5.571 -5.078 81 HG3 ARG 15 2HG ARG 15 -7.254 6.357 -3.670 82 HD2 ARG 15 1HD ARG 15 -7.718 7.347 -6.469 83 HD3 ARG 15 2HD ARG 15 -8.720 6.092 -5.741 84 HE ARG 15 HE ARG 15 -8.886 8.875 -5.257 85 HH11 ARG 15 1HH1 ARG 15 -9.130 5.793 -3.657 86 HH12 ARG 15 2HH1 ARG 15 -10.208 6.368 -2.430 87 HH21 ARG 15 1HH2 ARG 15 -10.306 9.645 -3.646 88 HH22 ARG 15 2HH2 ARG 15 -10.878 8.559 -2.425 89 H ALA 16 H ALA 16 -4.939 4.942 -3.023 90 HA ALA 16 HA ALA 16 -2.408 4.371 -4.383 91 HB1 ALA 16 3HB ALA 16 -2.176 4.678 -1.824 92 HB2 ALA 16 1HB ALA 16 -2.950 3.095 -1.732 93 HB3 ALA 16 2HB ALA 16 -1.422 3.280 -2.593 94 H GLY 17 H GLY 17 -2.910 2.942 -5.910 95 HA2 GLY 17 1HA GLY 17 -4.668 0.690 -5.172 96 HA3 GLY 17 2HA GLY 17 -4.892 1.548 -6.689 97 H GLY 18 H GLY 18 -4.614 -0.930 -7.191 98 HA2 GLY 18 1HA GLY 18 -2.763 -1.493 -8.935 99 HA3 GLY 18 2HA GLY 18 -1.768 -1.586 -7.489 100 HA PRO 19 HA PRO 19 -4.127 -5.628 -8.451 101 HB2 PRO 19 1HB PRO 19 -2.124 -7.024 -9.640 102 HB3 PRO 19 2HB PRO 19 -3.282 -6.043 -10.548 103 HG2 PRO 19 1HG PRO 19 -0.490 -5.376 -9.696 104 HG3 PRO 19 2HG PRO 19 -1.288 -5.073 -11.249 105 HD2 PRO 19 1HD PRO 19 -0.992 -3.152 -9.365 106 HD3 PRO 19 2HD PRO 19 -2.384 -3.203 -10.465 107 H GLY 20 H GLY 20 -1.427 -4.478 -6.817 108 HA2 GLY 20 1HA GLY 20 -0.783 -7.035 -5.555 109 HA3 GLY 20 2HA GLY 20 0.078 -5.519 -5.328 110 H LEU 21 H LEU 21 -2.498 -4.082 -4.880 111 HA LEU 21 HA LEU 21 -2.587 -4.424 -2.045 112 HB2 LEU 21 1HB LEU 21 -4.124 -2.716 -3.977 113 HB3 LEU 21 2HB LEU 21 -4.489 -2.738 -2.254 114 HG LEU 21 HG LEU 21 -1.805 -1.981 -3.403 115 HD11 LEU 21 1HD1 LEU 21 -3.024 -0.207 -4.142 116 HD12 LEU 21 2HD1 LEU 21 -2.712 0.329 -2.492 117 HD13 LEU 21 3HD1 LEU 21 -4.265 -0.396 -2.905 118 HD21 LEU 21 3HD2 LEU 21 -1.840 -2.830 -1.071 119 HD22 LEU 21 1HD2 LEU 21 -2.969 -1.541 -0.656 120 HD23 LEU 21 2HD2 LEU 21 -1.338 -1.144 -1.197 121 H GLU 22 H GLU 22 -4.796 -5.147 -4.715 122 HA GLU 22 HA GLU 22 -7.070 -5.890 -3.411 123 HB2 GLU 22 1HB GLU 22 -5.872 -7.497 -5.669 124 HB3 GLU 22 2HB GLU 22 -7.574 -7.342 -5.259 125 HG2 GLU 22 1HG GLU 22 -7.156 -4.807 -5.692 126 HG3 GLU 22 2HG GLU 22 -5.763 -5.393 -6.599 127 H ARG 23 H ARG 23 -4.392 -8.125 -4.171 128 HA ARG 23 HA ARG 23 -4.902 -9.539 -1.672 129 HB2 ARG 23 1HB ARG 23 -5.344 -10.646 -4.394 130 HB3 ARG 23 2HB ARG 23 -4.560 -11.698 -3.222 131 HG2 ARG 23 1HG ARG 23 -6.419 -11.826 -1.884 132 HG3 ARG 23 2HG ARG 23 -7.062 -10.281 -2.447 133 HD2 ARG 23 1HD ARG 23 -7.258 -11.519 -4.734 134 HD3 ARG 23 2HD ARG 23 -7.179 -12.973 -3.739 135 HE ARG 23 HE ARG 23 -9.413 -11.257 -4.050 136 HH11 ARG 23 1HH1 ARG 23 -7.743 -13.203 -1.695 137 HH12 ARG 23 2HH1 ARG 23 -9.158 -13.493 -0.739 138 HH21 ARG 23 1HH2 ARG 23 -11.282 -11.631 -2.800 139 HH22 ARG 23 2HH2 ARG 23 -11.171 -12.599 -1.368 140 H GLY 24 H GLY 24 -3.212 -11.499 -1.622 141 HA2 GLY 24 1HA GLY 24 -0.658 -10.635 -2.776 142 HA3 GLY 24 2HA GLY 24 -0.776 -10.762 -1.028 143 H GLU 25 H GLU 25 1.092 -12.226 -2.417 144 HA GLU 25 HA GLU 25 0.068 -14.957 -2.037 145 HB2 GLU 25 1HB GLU 25 1.619 -13.852 -4.351 146 HB3 GLU 25 2HB GLU 25 1.805 -15.541 -3.900 147 HG2 GLU 25 1HG GLU 25 0.147 -15.743 -5.432 148 HG3 GLU 25 2HG GLU 25 -0.829 -15.494 -3.986 149 H ALA 26 H ALA 26 1.476 -16.413 -1.103 150 HA ALA 26 HA ALA 26 3.563 -15.293 0.500 151 HB1 ALA 26 3HB ALA 26 3.847 -17.559 1.356 152 HB2 ALA 26 1HB ALA 26 2.144 -17.101 1.327 153 HB3 ALA 26 2HB ALA 26 2.789 -18.180 0.089 154 H GLY 27 H GLY 27 5.660 -15.111 0.043 155 HA2 GLY 27 1HA GLY 27 7.722 -15.507 -0.910 156 HA3 GLY 27 2HA GLY 27 7.078 -17.010 -1.552 157 H VAL 28 H VAL 28 5.355 -14.120 -2.269 158 HA VAL 28 HA VAL 28 6.568 -14.044 -4.954 159 HB VAL 28 HB VAL 28 3.633 -13.794 -4.284 160 HG11 VAL 28 1HG1 VAL 28 3.547 -13.819 -6.894 161 HG12 VAL 28 2HG1 VAL 28 3.850 -12.309 -6.032 162 HG13 VAL 28 3HG1 VAL 28 5.191 -13.197 -6.759 163 HG21 VAL 28 3HG2 VAL 28 3.442 -15.789 -5.771 164 HG22 VAL 28 1HG2 VAL 28 5.204 -15.888 -5.778 165 HG23 VAL 28 2HG2 VAL 28 4.315 -16.091 -4.268 166 HA PRO 29 HA PRO 29 7.155 -9.774 -3.860 167 HB2 PRO 29 1HB PRO 29 8.197 -9.002 -6.245 168 HB3 PRO 29 2HB PRO 29 9.122 -9.908 -5.041 169 HG2 PRO 29 1HG PRO 29 7.729 -10.899 -7.499 170 HG3 PRO 29 2HG PRO 29 9.329 -11.333 -6.868 171 HD2 PRO 29 1HD PRO 29 7.149 -12.898 -6.512 172 HD3 PRO 29 2HD PRO 29 8.458 -12.799 -5.317 173 H ALA 30 H ALA 30 5.263 -8.696 -3.689 174 HA ALA 30 HA ALA 30 3.640 -8.270 -6.092 175 HB1 ALA 30 3HB ALA 30 2.863 -9.008 -3.614 176 HB2 ALA 30 1HB ALA 30 2.655 -7.259 -3.510 177 HB3 ALA 30 2HB ALA 30 1.821 -8.173 -4.767 178 H GLU 31 H GLU 31 4.301 -6.544 -7.217 179 HA GLU 31 HA GLU 31 5.305 -4.185 -5.835 180 HB2 GLU 31 1HB GLU 31 5.015 -4.575 -8.813 181 HB3 GLU 31 2HB GLU 31 6.032 -3.410 -7.975 182 HG2 GLU 31 1HG GLU 31 7.184 -5.502 -6.977 183 HG3 GLU 31 2HG GLU 31 6.420 -6.350 -8.321 184 H PHE 32 H PHE 32 4.440 -2.093 -6.135 185 HA PHE 32 HA PHE 32 1.946 -1.719 -7.513 186 HB2 PHE 32 1HB PHE 32 0.567 -1.204 -5.616 187 HB3 PHE 32 2HB PHE 32 1.262 -2.800 -5.353 188 HD1 PHE 32 1HD PHE 32 1.600 0.771 -4.446 189 HD2 PHE 32 2HD PHE 32 2.547 -3.257 -3.450 190 HE1 PHE 32 1HE PHE 32 2.472 1.518 -2.270 191 HE2 PHE 32 2HE PHE 32 3.420 -2.516 -1.273 192 HZ PHE 32 HZ PHE 32 3.383 -0.126 -0.680 193 H SER 33 H SER 33 1.816 0.321 -8.206 194 HA SER 33 HA SER 33 3.755 2.248 -7.168 195 HB2 SER 33 1HB SER 33 3.572 1.752 -9.644 196 HB3 SER 33 2HB SER 33 1.997 2.546 -9.609 197 HG SER 33 HG SER 33 4.550 3.657 -9.142 198 H ILE 34 H ILE 34 3.123 4.456 -6.768 199 HA ILE 34 HA ILE 34 0.299 4.724 -5.964 200 HB ILE 34 HB ILE 34 2.673 5.940 -4.547 201 HG12 ILE 34 1HG1 ILE 34 0.866 3.774 -3.485 202 HG13 ILE 34 2HG1 ILE 34 2.342 3.400 -4.368 203 HG21 ILE 34 1HG2 ILE 34 0.252 5.854 -3.020 204 HG22 ILE 34 2HG2 ILE 34 1.225 7.247 -3.490 205 HG23 ILE 34 3HG2 ILE 34 -0.045 6.657 -4.562 206 HD11 ILE 34 3HD1 ILE 34 2.669 5.308 -2.168 207 HD12 ILE 34 1HD1 ILE 34 2.181 3.683 -1.688 208 HD13 ILE 34 2HD1 ILE 34 3.654 3.920 -2.630 209 H TRP 35 H TRP 35 -0.747 6.335 -6.915 210 HA TRP 35 HA TRP 35 0.770 8.332 -8.406 211 HB2 TRP 35 1HB TRP 35 -2.185 7.684 -8.371 212 HB3 TRP 35 2HB TRP 35 -1.444 8.921 -9.382 213 HD1 TRP 35 HD TRP 35 -2.401 5.366 -9.441 214 HE1 TRP 35 1HE TRP 35 -1.372 4.179 -11.480 215 HE3 TRP 35 3HE TRP 35 0.982 8.936 -10.837 216 HZ2 TRP 35 2HZ TRP 35 0.611 4.689 -13.423 217 HZ3 TRP 35 3HZ TRP 35 2.408 8.508 -12.797 218 HH2 TRP 35 HH TRP 35 2.226 6.428 -14.061 219 H THR 36 H THR 36 1.281 10.165 -7.423 220 HA THR 36 HA THR 36 -0.671 11.352 -5.560 221 HB THR 36 HB THR 36 1.264 12.340 -4.327 222 HG1 THR 36 1HG THR 36 3.126 12.172 -5.312 223 HG21 THR 36 3HG2 THR 36 0.953 10.640 -2.925 224 HG22 THR 36 1HG2 THR 36 2.004 9.621 -3.906 225 HG23 THR 36 2HG2 THR 36 0.274 9.683 -4.242 226 H ARG 37 H ARG 37 -0.614 11.903 -8.312 227 HA ARG 37 HA ARG 37 0.921 14.143 -9.022 228 HB2 ARG 37 1HB ARG 37 -0.460 12.605 -10.533 229 HB3 ARG 37 2HB ARG 37 -1.847 13.583 -10.072 230 HG2 ARG 37 1HG ARG 37 -1.196 14.562 -12.049 231 HG3 ARG 37 2HG ARG 37 -0.384 15.575 -10.854 232 HD2 ARG 37 1HD ARG 37 1.647 14.138 -11.158 233 HD3 ARG 37 2HD ARG 37 0.815 13.353 -12.499 234 HE ARG 37 HE ARG 37 1.281 15.175 -13.796 235 HH11 ARG 37 1HH1 ARG 37 1.663 16.048 -10.447 236 HH12 ARG 37 2HH1 ARG 37 2.318 17.614 -10.795 237 HH21 ARG 37 1HH2 ARG 37 2.142 17.235 -14.267 238 HH22 ARG 37 2HH2 ARG 37 2.589 18.289 -12.967 239 H GLU 38 H GLU 38 -2.464 13.974 -7.910 240 HA GLU 38 HA GLU 38 -2.564 16.846 -7.574 241 HB2 GLU 38 1HB GLU 38 -4.475 15.158 -8.275 242 HB3 GLU 38 2HB GLU 38 -4.697 15.033 -6.535 243 HG2 GLU 38 1HG GLU 38 -4.576 17.724 -7.809 244 HG3 GLU 38 2HG GLU 38 -6.054 16.768 -7.921 245 H ALA 39 H ALA 39 -1.088 17.318 -5.957 246 HA ALA 39 HA ALA 39 -2.033 17.216 -3.306 247 HB1 ALA 39 3HB ALA 39 0.458 15.641 -3.357 248 HB2 ALA 39 1HB ALA 39 -0.955 15.503 -2.311 249 HB3 ALA 39 2HB ALA 39 -0.990 14.816 -3.935 250 H GLY 40 H GLY 40 -1.162 18.883 -2.234 251 HA2 GLY 40 1HA GLY 40 1.110 20.255 -3.459 252 HA3 GLY 40 2HA GLY 40 0.021 20.924 -2.255 253 H ALA 41 H ALA 41 2.025 17.981 -2.321 254 HA ALA 41 HA ALA 41 3.962 18.927 -0.504 255 HB1 ALA 41 3HB ALA 41 1.495 18.028 0.683 256 HB2 ALA 41 1HB ALA 41 2.847 17.021 1.200 257 HB3 ALA 41 2HB ALA 41 2.903 18.767 1.443 258 H GLY 42 H GLY 42 5.400 17.179 0.277 259 HA2 GLY 42 1HA GLY 42 5.175 14.753 -1.394 260 HA3 GLY 42 2HA GLY 42 6.690 15.632 -1.247 261 H GLY 43 H GLY 43 5.029 13.006 -0.161 262 HA2 GLY 43 1HA GLY 43 6.940 12.215 1.700 263 HA3 GLY 43 2HA GLY 43 5.647 12.990 2.605 264 H LEU 44 H LEU 44 6.756 10.084 1.813 265 HA LEU 44 HA LEU 44 4.109 8.871 2.036 266 HB2 LEU 44 1HB LEU 44 6.106 8.308 -0.133 267 HB3 LEU 44 2HB LEU 44 4.881 7.131 0.334 268 HG LEU 44 HG LEU 44 3.999 9.874 -0.419 269 HD11 LEU 44 1HD1 LEU 44 5.702 8.523 -2.099 270 HD12 LEU 44 2HD1 LEU 44 4.529 9.749 -2.580 271 HD13 LEU 44 3HD1 LEU 44 4.106 8.039 -2.674 272 HD21 LEU 44 3HD2 LEU 44 2.865 7.116 -0.875 273 HD22 LEU 44 1HD2 LEU 44 2.074 8.644 -1.267 274 HD23 LEU 44 2HD2 LEU 44 2.398 8.224 0.416 275 H SER 45 H SER 45 4.150 6.681 2.809 276 HA SER 45 HA SER 45 6.665 5.570 3.707 277 HB2 SER 45 1HB SER 45 6.260 7.080 5.543 278 HB3 SER 45 2HB SER 45 4.583 6.549 5.672 279 HG SER 45 HG SER 45 5.920 5.550 7.238 280 H ILE 46 H ILE 46 6.522 3.390 4.305 281 HA ILE 46 HA ILE 46 3.891 2.118 4.144 282 HB ILE 46 HB ILE 46 6.251 1.249 2.471 283 HG12 ILE 46 1HG1 ILE 46 3.580 1.994 1.355 284 HG13 ILE 46 2HG1 ILE 46 4.685 3.281 1.824 285 HG21 ILE 46 1HG2 ILE 46 3.501 0.063 2.376 286 HG22 ILE 46 2HG2 ILE 46 5.019 -0.601 1.776 287 HG23 ILE 46 3HG2 ILE 46 4.713 -0.529 3.511 288 HD11 ILE 46 3HD1 ILE 46 6.271 1.587 0.345 289 HD12 ILE 46 1HD1 ILE 46 4.722 1.552 -0.498 290 HD13 ILE 46 2HD1 ILE 46 5.537 3.091 -0.214 291 H ALA 47 H ALA 47 3.680 0.297 5.373 292 HA ALA 47 HA ALA 47 6.047 -0.937 6.540 293 HB1 ALA 47 3HB ALA 47 4.155 0.763 8.028 294 HB2 ALA 47 1HB ALA 47 4.585 -0.767 8.793 295 HB3 ALA 47 2HB ALA 47 5.846 0.386 8.356 296 H VAL 48 H VAL 48 5.739 -2.997 5.986 297 HA VAL 48 HA VAL 48 3.053 -4.126 5.938 298 HB VAL 48 HB VAL 48 5.709 -5.303 5.107 299 HG11 VAL 48 1HG1 VAL 48 2.921 -6.433 4.996 300 HG12 VAL 48 2HG1 VAL 48 4.260 -7.058 4.031 301 HG13 VAL 48 3HG1 VAL 48 4.338 -7.116 5.792 302 HG21 VAL 48 3HG2 VAL 48 5.388 -4.163 3.225 303 HG22 VAL 48 1HG2 VAL 48 3.930 -5.114 2.947 304 HG23 VAL 48 2HG2 VAL 48 3.828 -3.572 3.798 305 H GLU 49 H GLU 49 2.239 -5.096 7.665 306 HA GLU 49 HA GLU 49 4.059 -6.564 9.451 307 HB2 GLU 49 1HB GLU 49 1.954 -4.550 10.152 308 HB3 GLU 49 2HB GLU 49 2.335 -5.844 11.278 309 HG2 GLU 49 1HG GLU 49 4.532 -4.168 10.157 310 HG3 GLU 49 2HG GLU 49 3.530 -3.546 11.467 311 H GLY 50 H GLY 50 3.211 -8.417 10.442 312 HA2 GLY 50 1HA GLY 50 0.531 -9.254 10.275 313 HA3 GLY 50 2HA GLY 50 1.410 -9.920 8.907 314 HA PRO 51 HA PRO 51 1.819 -12.962 12.336 315 HB2 PRO 51 1HB PRO 51 1.583 -15.133 10.724 316 HB3 PRO 51 2HB PRO 51 0.189 -14.275 11.391 317 HG2 PRO 51 1HG PRO 51 1.416 -14.069 8.668 318 HG3 PRO 51 2HG PRO 51 -0.297 -14.138 9.121 319 HD2 PRO 51 1HD PRO 51 0.953 -11.818 8.497 320 HD3 PRO 51 2HD PRO 51 -0.369 -11.902 9.679 321 H SER 52 H SER 52 3.533 -12.198 9.487 322 HA SER 52 HA SER 52 5.944 -13.411 10.578 323 HB2 SER 52 1HB SER 52 4.813 -15.029 8.927 324 HB3 SER 52 2HB SER 52 5.279 -13.878 7.675 325 HG SER 52 HG SER 52 6.774 -15.713 8.289 326 H LYS 53 H LYS 53 7.879 -12.785 9.123 327 HA LYS 53 HA LYS 53 7.827 -9.928 8.859 328 HB2 LYS 53 1HB LYS 53 9.782 -11.276 9.717 329 HB3 LYS 53 2HB LYS 53 10.051 -11.810 8.063 330 HG2 LYS 53 1HG LYS 53 10.619 -9.647 7.343 331 HG3 LYS 53 2HG LYS 53 9.978 -8.904 8.810 332 HD2 LYS 53 1HD LYS 53 12.249 -10.862 8.924 333 HD3 LYS 53 2HD LYS 53 12.532 -9.154 8.575 334 HE2 LYS 53 1HE LYS 53 10.989 -10.100 10.979 335 HE3 LYS 53 2HE LYS 53 12.735 -9.857 11.000 336 HZ1 LYS 53 3HZ LYS 53 12.169 -7.532 10.132 337 HZ2 LYS 53 1HZ LYS 53 11.888 -7.858 11.768 338 HZ3 LYS 53 2HZ LYS 53 10.599 -7.850 10.674 339 H ALA 54 H ALA 54 8.220 -8.712 6.981 340 HA ALA 54 HA ALA 54 7.932 -10.138 4.428 341 HB1 ALA 54 3HB ALA 54 6.553 -7.794 4.005 342 HB2 ALA 54 1HB ALA 54 5.840 -9.384 4.271 343 HB3 ALA 54 2HB ALA 54 6.050 -8.274 5.626 344 H GLU 55 H GLU 55 9.417 -9.552 2.988 345 HA GLU 55 HA GLU 55 11.346 -7.556 3.570 346 HB2 GLU 55 1HB GLU 55 11.568 -9.702 2.130 347 HB3 GLU 55 2HB GLU 55 10.927 -8.709 0.829 348 HG2 GLU 55 1HG GLU 55 12.774 -7.212 0.956 349 HG3 GLU 55 2HG GLU 55 13.362 -7.977 2.432 350 H ILE 56 H ILE 56 11.777 -5.604 2.485 351 HA ILE 56 HA ILE 56 9.683 -4.538 0.746 352 HB ILE 56 HB ILE 56 10.598 -3.188 3.288 353 HG12 ILE 56 1HG1 ILE 56 7.764 -3.770 2.469 354 HG13 ILE 56 2HG1 ILE 56 8.739 -5.001 3.267 355 HG21 ILE 56 1HG2 ILE 56 8.632 -1.606 2.274 356 HG22 ILE 56 2HG2 ILE 56 10.360 -1.301 2.100 357 HG23 ILE 56 3HG2 ILE 56 9.473 -2.108 0.807 358 HD11 ILE 56 3HD1 ILE 56 7.478 -2.591 4.350 359 HD12 ILE 56 1HD1 ILE 56 7.879 -4.119 5.132 360 HD13 ILE 56 2HD1 ILE 56 9.123 -2.888 4.913 361 H THR 57 H THR 57 10.546 -3.532 -0.940 362 HA THR 57 HA THR 57 13.269 -2.431 -0.680 363 HB THR 57 HB THR 57 12.120 -3.653 -3.192 364 HG1 THR 57 1HG THR 57 13.562 -4.760 -1.056 365 HG21 THR 57 3HG2 THR 57 14.995 -3.541 -2.981 366 HG22 THR 57 1HG2 THR 57 14.290 -1.937 -2.787 367 HG23 THR 57 2HG2 THR 57 13.939 -2.885 -4.231 368 H PHE 58 H PHE 58 12.883 -0.289 -0.511 369 HA PHE 58 HA PHE 58 11.139 0.949 -2.536 370 HB2 PHE 58 1HB PHE 58 10.575 1.209 -0.050 371 HB3 PHE 58 2HB PHE 58 11.995 2.246 0.046 372 HD1 PHE 58 2HD PHE 58 12.082 4.222 -1.628 373 HD2 PHE 58 1HD PHE 58 8.529 2.115 -0.605 374 HE1 PHE 58 2HE PHE 58 10.734 6.138 -2.379 375 HE2 PHE 58 1HE PHE 58 7.174 4.027 -1.358 376 HZ PHE 58 HZ PHE 58 8.277 6.042 -2.245 377 H ASP 59 H ASP 59 12.571 1.317 -4.174 378 HA ASP 59 HA ASP 59 14.865 3.057 -3.543 379 HB2 ASP 59 1HB ASP 59 14.589 0.897 -5.631 380 HB3 ASP 59 2HB ASP 59 15.864 2.111 -5.684 381 H ASP 60 H ASP 60 14.907 4.998 -4.480 382 HA ASP 60 HA ASP 60 12.938 5.543 -6.599 383 HB2 ASP 60 1HB ASP 60 12.358 6.997 -4.900 384 HB3 ASP 60 2HB ASP 60 14.021 7.181 -4.347 385 H HIS 61 H HIS 61 13.917 5.376 -8.520 386 HA HIS 61 HA HIS 61 16.607 6.515 -8.837 387 HB2 HIS 61 1HB HIS 61 15.091 4.561 -10.577 388 HB3 HIS 61 2HB HIS 61 16.697 5.188 -10.935 389 HD1 HIS 61 1HD HIS 61 15.353 2.218 -9.855 390 HD2 HIS 61 2HD HIS 61 18.316 4.660 -8.269 391 HE1 HIS 61 1HE HIS 61 16.718 0.732 -8.355 392 H LYS 62 H LYS 62 17.067 7.956 -10.510 393 HA LYS 62 HA LYS 62 14.816 9.591 -11.321 394 HB2 LYS 62 1HB LYS 62 17.802 9.896 -11.623 395 HB3 LYS 62 2HB LYS 62 16.656 11.032 -12.320 396 HG2 LYS 62 1HG LYS 62 16.622 10.373 -9.397 397 HG3 LYS 62 2HG LYS 62 17.695 11.608 -10.059 398 HD2 LYS 62 1HD LYS 62 14.718 11.596 -10.518 399 HD3 LYS 62 2HD LYS 62 15.483 12.438 -9.168 400 HE2 LYS 62 1HE LYS 62 16.967 13.462 -11.085 401 HE3 LYS 62 2HE LYS 62 15.585 13.028 -12.088 402 HZ1 LYS 62 3HZ LYS 62 15.629 14.865 -9.764 403 HZ2 LYS 62 1HZ LYS 62 14.193 14.279 -10.441 404 HZ3 LYS 62 2HZ LYS 62 15.239 15.230 -11.370 405 H ASN 63 H ASN 63 17.046 7.314 -12.734 406 HA ASN 63 HA ASN 63 16.477 7.985 -15.455 407 HB2 ASN 63 1HB ASN 63 18.502 6.911 -15.346 408 HB3 ASN 63 2HB ASN 63 17.987 5.843 -14.043 409 HD21 ASN 63 1HD2 ASN 63 17.348 6.511 -17.464 410 HD22 ASN 63 2HD2 ASN 63 17.141 4.859 -17.925 411 H GLY 64 H GLY 64 14.843 6.214 -13.045 412 HA2 GLY 64 1HA GLY 64 12.465 5.843 -14.187 413 HA3 GLY 64 2HA GLY 64 13.383 4.541 -14.929 414 H SER 65 H SER 65 12.340 5.866 -11.822 415 HA SER 65 HA SER 65 13.191 3.897 -10.102 416 HB2 SER 65 1HB SER 65 10.634 5.507 -10.076 417 HB3 SER 65 2HB SER 65 11.129 4.467 -8.742 418 HG SER 65 HG SER 65 12.146 6.907 -9.568 419 H CYS 66 H CYS 66 12.319 1.973 -9.304 420 HA CYS 66 HA CYS 66 10.818 0.456 -11.260 421 HB2 CYS 66 1HB CYS 66 12.797 -0.502 -10.096 422 HB3 CYS 66 2HB CYS 66 11.911 -0.423 -8.579 423 HG CYS 66 HG CYS 66 11.500 -2.978 -8.978 424 H GLY 67 H GLY 67 10.477 1.113 -7.765 425 HA2 GLY 67 1HA GLY 67 8.085 2.017 -7.349 426 HA3 GLY 67 2HA GLY 67 7.622 0.451 -7.995 427 H VAL 68 H VAL 68 6.539 0.343 -5.847 428 HA VAL 68 HA VAL 68 8.400 -0.399 -3.694 429 HB VAL 68 HB VAL 68 5.440 0.156 -3.459 430 HG11 VAL 68 1HG1 VAL 68 7.380 0.318 -1.204 431 HG12 VAL 68 2HG1 VAL 68 5.659 -0.070 -1.188 432 HG13 VAL 68 3HG1 VAL 68 6.828 -1.269 -1.741 433 HG21 VAL 68 3HG2 VAL 68 6.606 2.162 -4.196 434 HG22 VAL 68 1HG2 VAL 68 6.091 2.324 -2.516 435 HG23 VAL 68 2HG2 VAL 68 7.779 1.978 -2.891 436 H SER 69 H SER 69 8.782 -2.501 -3.524 437 HA SER 69 HA SER 69 6.603 -4.384 -4.150 438 HB2 SER 69 1HB SER 69 8.587 -4.493 -5.677 439 HB3 SER 69 2HB SER 69 9.575 -4.940 -4.286 440 HG SER 69 HG SER 69 8.367 -6.812 -4.064 441 H TYR 70 H TYR 70 6.637 -6.416 -2.921 442 HA TYR 70 HA TYR 70 8.083 -6.464 -0.423 443 HB2 TYR 70 1HB TYR 70 6.240 -6.321 1.054 444 HB3 TYR 70 2HB TYR 70 6.048 -4.972 -0.059 445 HD1 TYR 70 1HD TYR 70 4.832 -8.377 0.740 446 HD2 TYR 70 2HD TYR 70 4.124 -4.784 -1.426 447 HE1 TYR 70 1HE TYR 70 2.564 -9.158 0.198 448 HE2 TYR 70 2HE TYR 70 1.853 -5.554 -1.972 449 HH TYR 70 HH TYR 70 0.365 -8.136 -0.425 450 H ILE 71 H ILE 71 8.035 -8.484 0.599 451 HA ILE 71 HA ILE 71 6.557 -10.615 -0.781 452 HB ILE 71 HB ILE 71 9.509 -10.578 -0.192 453 HG12 ILE 71 1HG1 ILE 71 8.033 -11.386 -2.700 454 HG13 ILE 71 2HG1 ILE 71 8.582 -9.741 -2.398 455 HG21 ILE 71 1HG2 ILE 71 9.252 -12.698 0.506 456 HG22 ILE 71 2HG2 ILE 71 7.644 -12.843 -0.200 457 HG23 ILE 71 3HG2 ILE 71 9.073 -13.054 -1.211 458 HD11 ILE 71 3HD1 ILE 71 10.056 -12.054 -3.321 459 HD12 ILE 71 1HD1 ILE 71 10.461 -10.340 -3.409 460 HD13 ILE 71 2HD1 ILE 71 10.833 -11.261 -1.951 461 H ALA 72 H ALA 72 5.718 -12.153 0.523 462 HA ALA 72 HA ALA 72 6.431 -12.036 3.382 463 HB1 ALA 72 3HB ALA 72 4.308 -11.271 3.555 464 HB2 ALA 72 1HB ALA 72 3.798 -12.019 2.040 465 HB3 ALA 72 2HB ALA 72 3.935 -12.994 3.504 466 H GLN 73 H GLN 73 7.784 -13.759 3.540 467 HA GLN 73 HA GLN 73 7.936 -16.088 2.222 468 HB2 GLN 73 1HB GLN 73 8.181 -15.684 5.203 469 HB3 GLN 73 2HB GLN 73 8.662 -17.163 4.383 470 HG2 GLN 73 1HG GLN 73 9.770 -14.520 3.535 471 HG3 GLN 73 2HG GLN 73 10.445 -15.385 4.915 472 HE21 GLN 73 1HE2 GLN 73 11.256 -14.734 2.000 473 HE22 GLN 73 2HE2 GLN 73 11.905 -16.234 1.438 474 H GLU 74 H GLU 74 5.838 -15.651 5.073 475 HA GLU 74 HA GLU 74 4.318 -18.018 4.221 476 HB2 GLU 74 1HB GLU 74 4.223 -16.643 6.907 477 HB3 GLU 74 2HB GLU 74 3.535 -18.206 6.488 478 HG2 GLU 74 1HG GLU 74 6.481 -17.631 6.377 479 HG3 GLU 74 2HG GLU 74 5.670 -18.257 7.812 480 HA PRO 75 HA PRO 75 0.867 -15.547 3.077 481 HB2 PRO 75 1HB PRO 75 -1.134 -17.339 3.475 482 HB3 PRO 75 2HB PRO 75 0.001 -17.450 2.125 483 HG2 PRO 75 1HG PRO 75 0.011 -18.916 4.736 484 HG3 PRO 75 2HG PRO 75 0.326 -19.535 3.104 485 HD2 PRO 75 1HD PRO 75 2.312 -18.948 4.849 486 HD3 PRO 75 2HD PRO 75 2.497 -18.759 3.094 487 H GLY 76 H GLY 76 -1.316 -14.844 3.899 488 HA2 GLY 76 1HA GLY 76 -2.608 -15.040 6.153 489 HA3 GLY 76 2HA GLY 76 -1.111 -14.374 6.790 490 H ASN 77 H ASN 77 -3.053 -12.852 7.437 491 HA ASN 77 HA ASN 77 -3.666 -10.913 5.360 492 HB2 ASN 77 1HB ASN 77 -5.168 -9.914 6.967 493 HB3 ASN 77 2HB ASN 77 -5.403 -11.659 6.991 494 HD21 ASN 77 1HD2 ASN 77 -5.914 -9.556 9.011 495 HD22 ASN 77 2HD2 ASN 77 -5.078 -10.079 10.430 496 H TYR 78 H TYR 78 -1.820 -9.785 4.917 497 HA TYR 78 HA TYR 78 -0.251 -8.654 7.086 498 HB2 TYR 78 1HB TYR 78 0.071 -8.731 4.095 499 HB3 TYR 78 2HB TYR 78 1.083 -7.699 5.099 500 HD1 TYR 78 2HD TYR 78 0.082 -11.233 4.549 501 HD2 TYR 78 1HD TYR 78 2.962 -8.574 6.203 502 HE1 TYR 78 2HE TYR 78 1.580 -13.135 4.979 503 HE2 TYR 78 1HE TYR 78 4.470 -10.469 6.637 504 HH TYR 78 HH TYR 78 3.500 -13.799 5.877 505 H GLU 79 H GLU 79 -0.686 -6.740 7.938 506 HA GLU 79 HA GLU 79 -2.447 -4.899 6.514 507 HB2 GLU 79 1HB GLU 79 -2.575 -5.653 9.050 508 HB3 GLU 79 2HB GLU 79 -1.427 -4.339 9.262 509 HG2 GLU 79 1HG GLU 79 -3.164 -2.961 7.906 510 HG3 GLU 79 2HG GLU 79 -4.276 -4.240 8.390 511 H VAL 80 H VAL 80 -1.299 -3.737 5.066 512 HA VAL 80 HA VAL 80 1.326 -2.704 5.714 513 HB VAL 80 HB VAL 80 -0.347 -2.153 3.260 514 HG11 VAL 80 1HG1 VAL 80 2.193 -1.977 2.434 515 HG12 VAL 80 2HG1 VAL 80 1.287 -0.597 3.057 516 HG13 VAL 80 3HG1 VAL 80 2.401 -1.469 4.111 517 HG21 VAL 80 3HG2 VAL 80 1.320 -3.894 2.287 518 HG22 VAL 80 1HG2 VAL 80 1.471 -4.420 3.964 519 HG23 VAL 80 2HG2 VAL 80 -0.102 -4.453 3.167 520 H SER 81 H SER 81 1.389 -1.027 7.076 521 HA SER 81 HA SER 81 -0.701 0.977 7.088 522 HB2 SER 81 1HB SER 81 1.861 0.867 8.700 523 HB3 SER 81 2HB SER 81 0.474 1.912 9.008 524 HG SER 81 HG SER 81 0.503 -0.925 9.117 525 H ILE 82 H ILE 82 -0.681 2.591 5.684 526 HA ILE 82 HA ILE 82 1.903 3.584 4.690 527 HB ILE 82 HB ILE 82 -0.850 3.898 3.491 528 HG12 ILE 82 1HG1 ILE 82 1.511 2.313 2.466 529 HG13 ILE 82 2HG1 ILE 82 0.182 1.606 3.378 530 HG21 ILE 82 1HG2 ILE 82 0.636 5.820 3.069 531 HG22 ILE 82 2HG2 ILE 82 1.825 4.721 2.373 532 HG23 ILE 82 3HG2 ILE 82 0.254 4.924 1.599 533 HD11 ILE 82 3HD1 ILE 82 -1.057 1.442 1.555 534 HD12 ILE 82 1HD1 ILE 82 -0.818 3.145 1.168 535 HD13 ILE 82 2HD1 ILE 82 0.353 1.943 0.623 536 H LYS 83 H LYS 83 2.295 5.819 4.562 537 HA LYS 83 HA LYS 83 0.407 7.628 5.846 538 HB2 LYS 83 1HB LYS 83 3.046 6.831 6.982 539 HB3 LYS 83 2HB LYS 83 2.552 8.511 7.142 540 HG2 LYS 83 1HG LYS 83 0.321 7.419 8.020 541 HG3 LYS 83 2HG LYS 83 1.400 6.067 8.374 542 HD2 LYS 83 1HD LYS 83 2.043 8.874 9.230 543 HD3 LYS 83 2HD LYS 83 1.036 7.810 10.213 544 HE2 LYS 83 1HE LYS 83 3.786 7.058 9.245 545 HE3 LYS 83 2HE LYS 83 3.489 7.844 10.794 546 HZ1 LYS 83 3HZ LYS 83 1.815 5.561 10.397 547 HZ2 LYS 83 1HZ LYS 83 2.837 5.935 11.692 548 HZ3 LYS 83 2HZ LYS 83 3.456 5.159 10.323 549 H PHE 84 H PHE 84 0.398 9.574 4.900 550 HA PHE 84 HA PHE 84 2.563 10.170 2.999 551 HB2 PHE 84 1HB PHE 84 0.527 10.026 1.804 552 HB3 PHE 84 2HB PHE 84 -0.355 10.919 3.038 553 HD1 PHE 84 1HD PHE 84 0.023 13.364 3.287 554 HD2 PHE 84 2HD PHE 84 1.638 11.133 0.043 555 HE1 PHE 84 1HE PHE 84 0.381 15.452 2.034 556 HE2 PHE 84 2HE PHE 84 2.000 13.216 -1.215 557 HZ PHE 84 HZ PHE 84 1.373 15.379 -0.220 558 H ASN 85 H ASN 85 3.981 11.601 3.726 559 HA ASN 85 HA ASN 85 4.908 13.406 4.753 560 HB2 ASN 85 1HB ASN 85 2.111 14.506 4.402 561 HB3 ASN 85 2HB ASN 85 3.506 15.466 4.889 562 HD21 ASN 85 1HD2 ASN 85 4.497 16.501 3.326 563 HD22 ASN 85 2HD2 ASN 85 4.496 16.068 1.653 564 H ASP 86 H ASP 86 4.185 11.371 6.454 565 HA ASP 86 HA ASP 86 3.944 10.903 8.667 566 HB2 ASP 86 1HB ASP 86 4.535 13.826 8.676 567 HB3 ASP 86 2HB ASP 86 3.950 13.099 10.170 568 H GLU 87 H GLU 87 1.621 11.091 7.099 569 HA GLU 87 HA GLU 87 -0.326 11.680 9.191 570 HB2 GLU 87 1HB GLU 87 -0.167 13.034 6.544 571 HB3 GLU 87 2HB GLU 87 -1.764 12.615 7.149 572 HG2 GLU 87 1HG GLU 87 -1.127 13.819 9.279 573 HG3 GLU 87 2HG GLU 87 0.273 14.430 8.398 574 H HIS 88 H HIS 88 -2.040 10.304 9.222 575 HA HIS 88 HA HIS 88 -1.864 7.966 7.534 576 HB2 HIS 88 1HB HIS 88 -3.312 8.720 10.013 577 HB3 HIS 88 2HB HIS 88 -4.074 7.500 8.997 578 HD2 HIS 88 2HD HIS 88 -0.899 7.924 11.233 579 HE1 HIS 88 1HE HIS 88 -1.241 3.846 10.116 580 HE2 HIS 88 2HE HIS 88 -0.068 5.504 11.606 581 H ILE 89 H ILE 89 -2.976 7.631 5.729 582 HA ILE 89 HA ILE 89 -4.945 9.573 4.876 583 HB ILE 89 HB ILE 89 -5.000 7.847 2.860 584 HG12 ILE 89 1HG1 ILE 89 -2.191 7.430 3.852 585 HG13 ILE 89 2HG1 ILE 89 -3.480 6.312 4.286 586 HG21 ILE 89 1HG2 ILE 89 -4.304 10.144 2.658 587 HG22 ILE 89 2HG2 ILE 89 -2.763 9.783 3.435 588 HG23 ILE 89 3HG2 ILE 89 -3.128 9.111 1.846 589 HD11 ILE 89 3HD1 ILE 89 -3.497 5.364 2.265 590 HD12 ILE 89 1HD1 ILE 89 -3.309 6.903 1.428 591 HD13 ILE 89 2HD1 ILE 89 -1.898 6.087 2.100 592 HA PRO 90 HA PRO 90 -8.612 7.330 5.759 593 HB2 PRO 90 1HB PRO 90 -10.130 7.809 3.560 594 HB3 PRO 90 2HB PRO 90 -9.783 9.044 4.776 595 HG2 PRO 90 1HG PRO 90 -8.483 8.583 2.118 596 HG3 PRO 90 2HG PRO 90 -8.977 10.110 2.872 597 HD2 PRO 90 1HD PRO 90 -6.412 9.245 2.880 598 HD3 PRO 90 2HD PRO 90 -7.099 10.206 4.206 599 H GLU 91 H GLU 91 -6.485 6.294 3.444 600 HA GLU 91 HA GLU 91 -8.123 3.933 2.791 601 HB2 GLU 91 1HB GLU 91 -5.846 5.193 1.257 602 HB3 GLU 91 2HB GLU 91 -6.569 3.645 0.845 603 HG2 GLU 91 1HG GLU 91 -8.787 4.986 0.781 604 HG3 GLU 91 2HG GLU 91 -7.728 6.388 0.638 605 H SER 92 H SER 92 -5.865 4.872 4.884 606 HA SER 92 HA SER 92 -4.590 2.219 4.928 607 HB2 SER 92 1HB SER 92 -2.473 3.074 5.222 608 HB3 SER 92 2HB SER 92 -3.159 4.341 4.205 609 HG SER 92 HG SER 92 -2.539 4.371 6.925 610 HA PRO 93 HA PRO 93 -2.818 1.509 6.374 611 HB2 PRO 93 1HB PRO 93 -3.123 -0.785 7.792 612 HB3 PRO 93 2HB PRO 93 -2.235 0.614 8.408 613 HG2 PRO 93 1HG PRO 93 -5.043 -0.247 8.981 614 HG3 PRO 93 2HG PRO 93 -3.808 0.357 10.101 615 HD2 PRO 93 1HD PRO 93 -5.804 1.922 9.150 616 HD3 PRO 93 2HD PRO 93 -4.191 2.558 9.534 617 H TYR 94 H TYR 94 -2.751 -0.536 5.161 618 HA TYR 94 HA TYR 94 -5.389 -1.150 4.021 619 HB2 TYR 94 1HB TYR 94 -2.615 -1.513 2.869 620 HB3 TYR 94 2HB TYR 94 -4.103 -2.001 2.066 621 HD1 TYR 94 2HD TYR 94 -2.458 1.002 3.547 622 HD2 TYR 94 1HD TYR 94 -5.164 -0.515 0.634 623 HE1 TYR 94 2HE TYR 94 -2.666 3.252 2.577 624 HE2 TYR 94 1HE TYR 94 -5.379 1.732 -0.344 625 HH TYR 94 HH TYR 94 -4.697 3.842 -0.276 626 H LEU 95 H LEU 95 -5.984 -3.306 3.591 627 HA LEU 95 HA LEU 95 -4.475 -5.317 5.130 628 HB2 LEU 95 1HB LEU 95 -6.708 -4.586 6.072 629 HB3 LEU 95 2HB LEU 95 -7.447 -5.349 4.666 630 HG LEU 95 HG LEU 95 -6.420 -7.508 5.391 631 HD11 LEU 95 1HD1 LEU 95 -5.514 -7.736 7.587 632 HD12 LEU 95 2HD1 LEU 95 -5.862 -6.049 7.966 633 HD13 LEU 95 3HD1 LEU 95 -4.630 -6.449 6.768 634 HD21 LEU 95 3HD2 LEU 95 -8.188 -6.292 7.502 635 HD22 LEU 95 1HD2 LEU 95 -8.092 -7.982 7.006 636 HD23 LEU 95 2HD2 LEU 95 -8.771 -6.779 5.910 637 H VAL 96 H VAL 96 -3.407 -6.460 3.628 638 HA VAL 96 HA VAL 96 -4.906 -7.392 1.268 639 HB VAL 96 HB VAL 96 -1.906 -7.394 1.511 640 HG11 VAL 96 1HG1 VAL 96 -2.858 -6.983 -1.124 641 HG12 VAL 96 2HG1 VAL 96 -2.014 -8.388 -0.471 642 HG13 VAL 96 3HG1 VAL 96 -3.776 -8.316 -0.425 643 HG21 VAL 96 3HG2 VAL 96 -2.213 -5.297 -0.036 644 HG22 VAL 96 1HG2 VAL 96 -3.748 -5.155 0.820 645 HG23 VAL 96 2HG2 VAL 96 -2.231 -5.128 1.720 646 HA PRO 97 HA PRO 97 -4.585 -11.277 3.556 647 HB2 PRO 97 1HB PRO 97 -6.462 -12.555 2.066 648 HB3 PRO 97 2HB PRO 97 -6.870 -11.449 3.383 649 HG2 PRO 97 1HG PRO 97 -6.818 -10.942 0.434 650 HG3 PRO 97 2HG PRO 97 -8.021 -10.438 1.634 651 HD2 PRO 97 1HD PRO 97 -6.108 -8.766 0.696 652 HD3 PRO 97 2HD PRO 97 -6.743 -8.657 2.351 653 H VAL 98 H VAL 98 -2.537 -11.919 2.895 654 HA VAL 98 HA VAL 98 -2.024 -12.757 0.188 655 HB VAL 98 HB VAL 98 -0.275 -13.306 2.579 656 HG11 VAL 98 1HG1 VAL 98 0.928 -12.600 0.013 657 HG12 VAL 98 2HG1 VAL 98 1.297 -13.931 1.112 658 HG13 VAL 98 3HG1 VAL 98 -0.035 -14.077 -0.036 659 HG21 VAL 98 3HG2 VAL 98 0.734 -11.183 2.368 660 HG22 VAL 98 1HG2 VAL 98 -0.117 -10.844 0.860 661 HG23 VAL 98 2HG2 VAL 98 -1.004 -10.883 2.385 662 H ILE 99 H ILE 99 -1.976 -14.787 -0.623 663 HA ILE 99 HA ILE 99 -2.589 -17.001 1.223 664 HB ILE 99 HB ILE 99 -3.910 -18.057 -0.560 665 HG12 ILE 99 1HG1 ILE 99 -3.911 -15.462 -2.065 666 HG13 ILE 99 2HG1 ILE 99 -2.634 -16.639 -2.354 667 HG21 ILE 99 1HG2 ILE 99 -5.527 -15.778 -0.605 668 HG22 ILE 99 2HG2 ILE 99 -5.581 -17.107 0.552 669 HG23 ILE 99 3HG2 ILE 99 -4.609 -15.677 0.897 670 HD11 ILE 99 3HD1 ILE 99 -4.102 -17.283 -3.952 671 HD12 ILE 99 1HD1 ILE 99 -4.705 -18.263 -2.615 672 HD13 ILE 99 2HD1 ILE 99 -5.510 -16.750 -3.034 673 H ALA 100 H ALA 100 -1.824 -19.092 0.588 674 HA ALA 100 HA ALA 100 0.771 -18.979 -0.655 675 HB1 ALA 100 3HB ALA 100 -0.130 -20.448 1.360 676 HB2 ALA 100 1HB ALA 100 -0.467 -21.583 0.051 677 HB3 ALA 100 2HB ALA 100 1.178 -21.000 0.312 678 HA PRO 101 HA PRO 101 -0.924 -19.868 -4.701 679 HB2 PRO 101 1HB PRO 101 1.456 -19.740 -6.001 680 HB3 PRO 101 2HB PRO 101 0.554 -18.303 -5.505 681 HG2 PRO 101 1HG PRO 101 2.885 -19.628 -4.175 682 HG3 PRO 101 2HG PRO 101 2.577 -17.900 -4.432 683 HD2 PRO 101 1HD PRO 101 2.121 -19.125 -2.060 684 HD3 PRO 101 2HD PRO 101 1.141 -17.760 -2.635 685 H SER 102 H SER 102 -1.445 -21.866 -5.302 686 HA SER 102 HA SER 102 -1.378 -24.181 -5.304 687 HB2 SER 102 1HB SER 102 -0.229 -23.163 -7.436 688 HB3 SER 102 2HB SER 102 1.231 -23.869 -6.745 689 HG SER 102 HG SER 102 0.259 -25.883 -6.816 690 H ASP 103 H ASP 103 -0.292 -23.235 -2.887 691 HA ASP 103 HA ASP 103 1.937 -25.110 -2.438 692 HB2 ASP 103 1HB ASP 103 1.240 -22.486 -1.141 693 HB3 ASP 103 2HB ASP 103 2.271 -23.657 -0.324 694 H ASP 104 H ASP 104 1.311 -26.922 -1.490 695 HA ASP 104 HA ASP 104 -0.492 -26.791 0.801 696 HB2 ASP 104 1HB ASP 104 -1.736 -27.313 -1.431 697 HB3 ASP 104 2HB ASP 104 -0.994 -28.903 -1.271 698 H ALA 105 H ALA 105 -0.577 -28.916 1.965 699 HA ALA 105 HA ALA 105 2.118 -29.993 2.120 700 HB1 ALA 105 3HB ALA 105 0.339 -31.237 3.973 701 HB2 ALA 105 1HB ALA 105 1.674 -30.128 4.288 702 HB3 ALA 105 2HB ALA 105 0.056 -29.497 3.981 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.667 28.194 -12.738 2 HA2 GLY 1 1HA GLY 1 1.785 30.574 -13.510 3 HA3 GLY 1 2HA GLY 1 0.980 30.340 -11.966 4 H SER 2 H SER 2 3.398 31.921 -12.833 5 HA SER 2 HA SER 2 5.729 30.780 -11.772 6 HB2 SER 2 1HB SER 2 4.833 33.546 -12.429 7 HB3 SER 2 2HB SER 2 6.254 33.372 -11.400 8 HG SER 2 HG SER 2 7.304 32.999 -13.170 9 H SER 3 H SER 3 3.333 32.939 -10.279 10 HA SER 3 HA SER 3 4.583 33.080 -7.756 11 HB2 SER 3 1HB SER 3 2.693 34.553 -8.737 12 HB3 SER 3 2HB SER 3 1.605 33.305 -8.131 13 HG SER 3 HG SER 3 2.134 33.802 -6.096 14 H GLY 4 H GLY 4 1.685 31.229 -8.726 15 HA2 GLY 4 1HA GLY 4 1.963 28.763 -8.064 16 HA3 GLY 4 2HA GLY 4 2.196 29.426 -6.453 17 H SER 5 H SER 5 -0.004 27.999 -8.400 18 HA SER 5 HA SER 5 -2.358 29.486 -7.950 19 HB2 SER 5 1HB SER 5 -2.007 27.604 -9.635 20 HB3 SER 5 2HB SER 5 -2.245 26.487 -8.292 21 HG SER 5 HG SER 5 -4.310 27.338 -8.004 22 H SER 6 H SER 6 -4.155 28.928 -6.559 23 HA SER 6 HA SER 6 -3.232 28.225 -3.890 24 HB2 SER 6 1HB SER 6 -4.812 30.216 -4.590 25 HB3 SER 6 2HB SER 6 -6.068 28.982 -4.485 26 HG SER 6 HG SER 6 -4.975 28.559 -2.324 27 H GLY 7 H GLY 7 -3.178 26.114 -3.445 28 HA2 GLY 7 1HA GLY 7 -5.611 24.546 -3.986 29 HA3 GLY 7 2HA GLY 7 -4.041 23.903 -4.444 30 H GLU 8 H GLU 8 -6.305 23.402 -2.300 31 HA GLU 8 HA GLU 8 -4.482 23.104 -0.008 32 HB2 GLU 8 1HB GLU 8 -7.460 23.442 -0.202 33 HB3 GLU 8 2HB GLU 8 -6.732 22.728 1.230 34 HG2 GLU 8 1HG GLU 8 -5.757 24.685 1.887 35 HG3 GLU 8 2HG GLU 8 -5.665 25.319 0.244 36 H GLY 9 H GLY 9 -3.555 21.141 -0.210 37 HA2 GLY 9 1HA GLY 9 -5.382 18.831 -0.399 38 HA3 GLY 9 2HA GLY 9 -3.887 18.882 -1.322 39 H GLY 10 H GLY 10 -3.937 16.742 0.066 40 HA2 GLY 10 1HA GLY 10 -1.805 16.893 1.871 41 HA3 GLY 10 2HA GLY 10 -3.292 16.872 2.808 42 H ALA 11 H ALA 11 -3.464 14.898 3.650 43 HA ALA 11 HA ALA 11 -2.496 12.556 2.309 44 HB1 ALA 11 3HB ALA 11 -2.534 12.913 4.806 45 HB2 ALA 11 1HB ALA 11 -4.272 12.620 4.737 46 HB3 ALA 11 2HB ALA 11 -3.143 11.357 4.244 47 H HIS 12 H HIS 12 -5.761 13.442 3.456 48 HA HIS 12 HA HIS 12 -7.271 11.487 2.371 49 HB2 HIS 12 1HB HIS 12 -9.103 13.129 2.134 50 HB3 HIS 12 2HB HIS 12 -8.242 13.313 3.659 51 HD1 HIS 12 1HD HIS 12 -6.410 15.328 3.657 52 HD2 HIS 12 2HD HIS 12 -9.311 15.416 0.683 53 HE1 HIS 12 1HE HIS 12 -6.406 17.687 2.783 54 H LYS 13 H LYS 13 -5.552 13.939 0.626 55 HA LYS 13 HA LYS 13 -6.943 13.538 -1.860 56 HB2 LYS 13 1HB LYS 13 -4.367 14.966 -1.186 57 HB3 LYS 13 2HB LYS 13 -5.072 14.928 -2.797 58 HG2 LYS 13 1HG LYS 13 -6.740 15.872 -0.519 59 HG3 LYS 13 2HG LYS 13 -5.503 16.942 -1.183 60 HD2 LYS 13 1HD LYS 13 -7.317 17.521 -2.472 61 HD3 LYS 13 2HD LYS 13 -6.586 16.265 -3.474 62 HE2 LYS 13 1HE LYS 13 -8.210 14.707 -2.928 63 HE3 LYS 13 2HE LYS 13 -8.656 15.542 -1.441 64 HZ1 LYS 13 3HZ LYS 13 -9.143 17.252 -3.607 65 HZ2 LYS 13 1HZ LYS 13 -10.261 16.571 -2.534 66 HZ3 LYS 13 2HZ LYS 13 -9.848 15.754 -3.955 67 H VAL 14 H VAL 14 -3.815 12.562 -0.504 68 HA VAL 14 HA VAL 14 -2.715 11.299 -2.705 69 HB VAL 14 HB VAL 14 -2.489 10.635 0.226 70 HG11 VAL 14 1HG1 VAL 14 -1.017 9.424 -2.108 71 HG12 VAL 14 2HG1 VAL 14 -0.482 9.299 -0.430 72 HG13 VAL 14 3HG1 VAL 14 -2.021 8.591 -0.922 73 HG21 VAL 14 3HG2 VAL 14 -1.530 12.749 -0.299 74 HG22 VAL 14 1HG2 VAL 14 -0.197 11.604 -0.137 75 HG23 VAL 14 2HG2 VAL 14 -0.740 12.105 -1.739 76 H ARG 15 H ARG 15 -2.669 9.138 -3.418 77 HA ARG 15 HA ARG 15 -4.768 7.362 -2.406 78 HB2 ARG 15 1HB ARG 15 -4.572 8.518 -5.143 79 HB3 ARG 15 2HB ARG 15 -5.068 6.836 -5.003 80 HG2 ARG 15 1HG ARG 15 -6.971 7.413 -3.714 81 HG3 ARG 15 2HG ARG 15 -6.405 9.072 -3.504 82 HD2 ARG 15 1HD ARG 15 -6.920 9.660 -5.683 83 HD3 ARG 15 2HD ARG 15 -6.880 7.991 -6.249 84 HE ARG 15 HE ARG 15 -9.088 7.791 -5.693 85 HH11 ARG 15 1HH1 ARG 15 -7.770 10.599 -4.111 86 HH12 ARG 15 2HH1 ARG 15 -9.305 11.151 -3.528 87 HH21 ARG 15 1HH2 ARG 15 -11.114 8.508 -4.930 88 HH22 ARG 15 2HH2 ARG 15 -11.207 9.961 -3.993 89 H ALA 16 H ALA 16 -4.568 5.142 -3.471 90 HA ALA 16 HA ALA 16 -1.708 4.489 -3.766 91 HB1 ALA 16 3HB ALA 16 -2.554 3.589 -1.705 92 HB2 ALA 16 1HB ALA 16 -3.923 2.853 -2.540 93 HB3 ALA 16 2HB ALA 16 -2.288 2.261 -2.836 94 H GLY 17 H GLY 17 -1.248 2.538 -5.065 95 HA2 GLY 17 1HA GLY 17 -2.263 2.708 -7.640 96 HA3 GLY 17 2HA GLY 17 -1.411 1.311 -6.999 97 H GLY 18 H GLY 18 -3.062 0.467 -8.711 98 HA2 GLY 18 1HA GLY 18 -5.750 0.144 -7.654 99 HA3 GLY 18 2HA GLY 18 -5.155 -0.455 -9.195 100 HA PRO 19 HA PRO 19 -5.028 -4.491 -7.478 101 HB2 PRO 19 1HB PRO 19 -3.158 -5.624 -9.088 102 HB3 PRO 19 2HB PRO 19 -4.797 -5.250 -9.634 103 HG2 PRO 19 1HG PRO 19 -2.264 -3.708 -10.045 104 HG3 PRO 19 2HG PRO 19 -3.563 -4.053 -11.201 105 HD2 PRO 19 1HD PRO 19 -3.340 -1.673 -9.930 106 HD3 PRO 19 2HD PRO 19 -4.907 -2.369 -10.386 107 H GLY 20 H GLY 20 -3.256 -6.215 -6.881 108 HA2 GLY 20 1HA GLY 20 -1.310 -6.766 -5.744 109 HA3 GLY 20 2HA GLY 20 -0.745 -5.118 -5.971 110 H LEU 21 H LEU 21 -3.472 -4.274 -4.811 111 HA LEU 21 HA LEU 21 -2.627 -4.507 -2.005 112 HB2 LEU 21 1HB LEU 21 -4.266 -2.435 -3.443 113 HB3 LEU 21 2HB LEU 21 -4.127 -2.502 -1.687 114 HG LEU 21 HG LEU 21 -1.689 -2.274 -3.421 115 HD11 LEU 21 1HD1 LEU 21 -2.218 0.270 -2.482 116 HD12 LEU 21 2HD1 LEU 21 -3.781 -0.295 -3.070 117 HD13 LEU 21 3HD1 LEU 21 -2.384 -0.289 -4.147 118 HD21 LEU 21 3HD2 LEU 21 -2.235 -1.260 -0.639 119 HD22 LEU 21 1HD2 LEU 21 -0.679 -1.394 -1.458 120 HD23 LEU 21 2HD2 LEU 21 -1.552 -2.850 -0.980 121 H GLU 22 H GLU 22 -4.927 -5.607 -4.186 122 HA GLU 22 HA GLU 22 -7.118 -5.813 -2.307 123 HB2 GLU 22 1HB GLU 22 -8.285 -6.980 -4.116 124 HB3 GLU 22 2HB GLU 22 -7.588 -5.468 -4.682 125 HG2 GLU 22 1HG GLU 22 -5.613 -6.891 -5.469 126 HG3 GLU 22 2HG GLU 22 -6.688 -8.269 -5.238 127 H ARG 23 H ARG 23 -4.814 -8.011 -3.871 128 HA ARG 23 HA ARG 23 -5.172 -9.883 -1.657 129 HB2 ARG 23 1HB ARG 23 -6.599 -10.408 -3.825 130 HB3 ARG 23 2HB ARG 23 -5.064 -11.041 -4.407 131 HG2 ARG 23 1HG ARG 23 -4.971 -12.457 -2.341 132 HG3 ARG 23 2HG ARG 23 -6.622 -11.937 -1.998 133 HD2 ARG 23 1HD ARG 23 -5.928 -13.113 -4.660 134 HD3 ARG 23 2HD ARG 23 -6.217 -14.163 -3.273 135 HE ARG 23 HE ARG 23 -8.458 -13.609 -3.341 136 HH11 ARG 23 1HH1 ARG 23 -6.651 -11.606 -5.541 137 HH12 ARG 23 2HH1 ARG 23 -8.059 -10.979 -6.332 138 HH21 ARG 23 1HH2 ARG 23 -10.319 -12.791 -4.374 139 HH22 ARG 23 2HH2 ARG 23 -10.145 -11.653 -5.667 140 H GLY 24 H GLY 24 -3.415 -11.351 -1.379 141 HA2 GLY 24 1HA GLY 24 -1.016 -10.732 -2.974 142 HA3 GLY 24 2HA GLY 24 -0.948 -10.665 -1.219 143 H GLU 25 H GLU 25 0.840 -12.268 -2.243 144 HA GLU 25 HA GLU 25 -0.206 -14.944 -1.660 145 HB2 GLU 25 1HB GLU 25 1.173 -14.051 -4.141 146 HB3 GLU 25 2HB GLU 25 1.602 -15.631 -3.501 147 HG2 GLU 25 1HG GLU 25 -0.087 -16.171 -4.945 148 HG3 GLU 25 2HG GLU 25 -0.972 -15.998 -3.430 149 H ALA 26 H ALA 26 1.405 -16.453 -0.933 150 HA ALA 26 HA ALA 26 3.450 -15.161 0.652 151 HB1 ALA 26 3HB ALA 26 1.987 -17.011 1.505 152 HB2 ALA 26 1HB ALA 26 2.879 -18.111 0.453 153 HB3 ALA 26 2HB ALA 26 3.717 -17.255 1.749 154 H GLY 27 H GLY 27 5.385 -14.725 -0.170 155 HA2 GLY 27 1HA GLY 27 7.492 -15.293 -1.023 156 HA3 GLY 27 2HA GLY 27 6.812 -16.790 -1.643 157 H VAL 28 H VAL 28 4.900 -14.116 -2.405 158 HA VAL 28 HA VAL 28 6.083 -14.001 -5.104 159 HB VAL 28 HB VAL 28 3.191 -13.616 -4.316 160 HG11 VAL 28 1HG1 VAL 28 2.762 -12.798 -6.353 161 HG12 VAL 28 2HG1 VAL 28 4.497 -12.491 -6.454 162 HG13 VAL 28 3HG1 VAL 28 3.819 -13.968 -7.141 163 HG21 VAL 28 3HG2 VAL 28 3.732 -15.935 -4.195 164 HG22 VAL 28 1HG2 VAL 28 2.870 -15.677 -5.711 165 HG23 VAL 28 2HG2 VAL 28 4.623 -15.869 -5.715 166 HA PRO 29 HA PRO 29 6.841 -9.735 -4.090 167 HB2 PRO 29 1HB PRO 29 7.834 -9.038 -6.519 168 HB3 PRO 29 2HB PRO 29 8.767 -9.949 -5.326 169 HG2 PRO 29 1HG PRO 29 7.273 -10.941 -7.723 170 HG3 PRO 29 2HG PRO 29 8.877 -11.411 -7.130 171 HD2 PRO 29 1HD PRO 29 6.664 -12.904 -6.683 172 HD3 PRO 29 2HD PRO 29 8.010 -12.823 -5.529 173 H ALA 30 H ALA 30 5.194 -8.351 -3.955 174 HA ALA 30 HA ALA 30 3.516 -7.922 -6.342 175 HB1 ALA 30 3HB ALA 30 2.571 -8.880 -4.071 176 HB2 ALA 30 1HB ALA 30 2.531 -7.170 -3.641 177 HB3 ALA 30 2HB ALA 30 1.642 -7.746 -5.052 178 H GLU 31 H GLU 31 4.096 -6.097 -7.324 179 HA GLU 31 HA GLU 31 4.968 -3.816 -5.690 180 HB2 GLU 31 1HB GLU 31 5.532 -4.698 -8.485 181 HB3 GLU 31 2HB GLU 31 5.589 -2.978 -8.124 182 HG2 GLU 31 1HG GLU 31 7.254 -3.384 -6.395 183 HG3 GLU 31 2HG GLU 31 7.187 -5.113 -6.728 184 H PHE 32 H PHE 32 3.908 -1.900 -5.713 185 HA PHE 32 HA PHE 32 1.591 -1.636 -7.508 186 HB2 PHE 32 1HB PHE 32 0.394 -0.521 -5.580 187 HB3 PHE 32 2HB PHE 32 0.636 -2.257 -5.412 188 HD1 PHE 32 2HD PHE 32 2.422 -3.104 -3.901 189 HD2 PHE 32 1HD PHE 32 1.322 1.005 -4.042 190 HE1 PHE 32 2HE PHE 32 3.515 -2.742 -1.728 191 HE2 PHE 32 1HE PHE 32 2.415 1.374 -1.868 192 HZ PHE 32 HZ PHE 32 3.512 -0.500 -0.707 193 H SER 33 H SER 33 0.851 0.595 -7.786 194 HA SER 33 HA SER 33 3.121 2.460 -7.670 195 HB2 SER 33 1HB SER 33 0.690 2.438 -9.473 196 HB3 SER 33 2HB SER 33 1.934 3.687 -9.486 197 HG SER 33 HG SER 33 3.417 1.805 -9.837 198 H ILE 34 H ILE 34 2.792 4.624 -7.038 199 HA ILE 34 HA ILE 34 0.309 5.105 -5.526 200 HB ILE 34 HB ILE 34 3.113 5.908 -4.742 201 HG12 ILE 34 1HG1 ILE 34 1.148 4.159 -3.258 202 HG13 ILE 34 2HG1 ILE 34 2.380 3.517 -4.339 203 HG21 ILE 34 1HG2 ILE 34 0.690 7.217 -4.195 204 HG22 ILE 34 2HG2 ILE 34 1.140 6.368 -2.716 205 HG23 ILE 34 3HG2 ILE 34 2.265 7.507 -3.457 206 HD11 ILE 34 3HD1 ILE 34 3.078 5.291 -2.029 207 HD12 ILE 34 1HD1 ILE 34 2.890 3.547 -1.850 208 HD13 ILE 34 2HD1 ILE 34 4.119 4.194 -2.937 209 H TRP 35 H TRP 35 -0.703 6.991 -5.887 210 HA TRP 35 HA TRP 35 0.640 8.927 -7.654 211 HB2 TRP 35 1HB TRP 35 -2.339 8.567 -7.283 212 HB3 TRP 35 2HB TRP 35 -1.527 9.545 -8.501 213 HD1 TRP 35 HD TRP 35 -1.687 5.788 -7.511 214 HE1 TRP 35 1HE TRP 35 -1.616 4.402 -9.679 215 HE3 TRP 35 3HE TRP 35 -1.177 9.591 -10.891 216 HZ2 TRP 35 2HZ TRP 35 -1.374 4.860 -12.454 217 HZ3 TRP 35 3HZ TRP 35 -1.033 9.031 -13.283 218 HH2 TRP 35 HH TRP 35 -1.128 6.714 -14.046 219 H THR 36 H THR 36 1.313 10.679 -6.621 220 HA THR 36 HA THR 36 -0.181 11.609 -4.265 221 HB THR 36 HB THR 36 1.840 12.845 -3.636 222 HG1 THR 36 1HG THR 36 2.497 12.786 -6.070 223 HG21 THR 36 3HG2 THR 36 1.630 9.978 -3.818 224 HG22 THR 36 1HG2 THR 36 2.314 10.968 -2.530 225 HG23 THR 36 2HG2 THR 36 3.319 10.480 -3.893 226 H ARG 37 H ARG 37 -1.537 12.311 -6.384 227 HA ARG 37 HA ARG 37 -0.646 14.839 -7.474 228 HB2 ARG 37 1HB ARG 37 -2.777 14.799 -8.708 229 HB3 ARG 37 2HB ARG 37 -1.873 13.304 -8.910 230 HG2 ARG 37 1HG ARG 37 -3.942 12.444 -8.544 231 HG3 ARG 37 2HG ARG 37 -3.376 12.541 -6.875 232 HD2 ARG 37 1HD ARG 37 -4.438 14.868 -6.845 233 HD3 ARG 37 2HD ARG 37 -5.252 14.379 -8.331 234 HE ARG 37 HE ARG 37 -5.860 13.522 -5.662 235 HH11 ARG 37 1HH1 ARG 37 -6.016 12.664 -9.032 236 HH12 ARG 37 2HH1 ARG 37 -7.356 11.584 -8.829 237 HH21 ARG 37 1HH2 ARG 37 -7.624 12.103 -5.382 238 HH22 ARG 37 2HH2 ARG 37 -8.270 11.266 -6.752 239 H GLU 38 H GLU 38 -1.913 16.802 -7.320 240 HA GLU 38 HA GLU 38 -2.596 18.484 -5.898 241 HB2 GLU 38 1HB GLU 38 -4.662 17.187 -6.933 242 HB3 GLU 38 2HB GLU 38 -4.961 16.786 -5.247 243 HG2 GLU 38 1HG GLU 38 -6.233 18.708 -5.698 244 HG3 GLU 38 2HG GLU 38 -4.845 19.253 -4.759 245 H ALA 39 H ALA 39 -0.880 16.605 -4.574 246 HA ALA 39 HA ALA 39 -2.053 16.390 -1.895 247 HB1 ALA 39 3HB ALA 39 0.493 15.206 -2.997 248 HB2 ALA 39 1HB ALA 39 -0.148 14.941 -1.375 249 HB3 ALA 39 2HB ALA 39 -1.041 14.362 -2.782 250 H GLY 40 H GLY 40 0.884 17.587 -3.517 251 HA2 GLY 40 1HA GLY 40 1.446 19.943 -2.796 252 HA3 GLY 40 2HA GLY 40 1.361 19.303 -1.161 253 H ALA 41 H ALA 41 3.249 18.829 -0.276 254 HA ALA 41 HA ALA 41 5.363 17.654 -1.910 255 HB1 ALA 41 3HB ALA 41 5.437 20.359 -0.755 256 HB2 ALA 41 1HB ALA 41 6.873 19.374 -0.477 257 HB3 ALA 41 2HB ALA 41 6.319 19.681 -2.123 258 H GLY 42 H GLY 42 6.319 16.024 -0.870 259 HA2 GLY 42 1HA GLY 42 7.155 15.975 1.775 260 HA3 GLY 42 2HA GLY 42 5.532 15.299 1.761 261 H GLY 43 H GLY 43 6.650 13.364 2.570 262 HA2 GLY 43 1HA GLY 43 7.891 11.843 0.359 263 HA3 GLY 43 2HA GLY 43 8.326 11.628 2.048 264 H LEU 44 H LEU 44 7.871 9.356 1.641 265 HA LEU 44 HA LEU 44 5.102 8.744 2.275 266 HB2 LEU 44 1HB LEU 44 6.472 7.931 -0.244 267 HB3 LEU 44 2HB LEU 44 5.341 6.811 0.512 268 HG LEU 44 HG LEU 44 4.467 9.611 -0.051 269 HD11 LEU 44 1HD1 LEU 44 4.475 9.410 -2.262 270 HD12 LEU 44 2HD1 LEU 44 3.790 7.788 -2.186 271 HD13 LEU 44 3HD1 LEU 44 5.534 8.014 -2.058 272 HD21 LEU 44 3HD2 LEU 44 3.154 6.913 0.152 273 HD22 LEU 44 1HD2 LEU 44 2.323 8.336 -0.477 274 HD23 LEU 44 2HD2 LEU 44 2.919 8.325 1.182 275 H SER 45 H SER 45 5.160 7.438 3.968 276 HA SER 45 HA SER 45 7.460 5.624 4.273 277 HB2 SER 45 1HB SER 45 5.626 6.776 6.390 278 HB3 SER 45 2HB SER 45 6.957 5.660 6.696 279 HG SER 45 HG SER 45 7.145 8.210 6.707 280 H ILE 46 H ILE 46 7.128 3.494 4.270 281 HA ILE 46 HA ILE 46 4.383 2.500 4.656 282 HB ILE 46 HB ILE 46 6.356 1.518 2.590 283 HG12 ILE 46 1HG1 ILE 46 3.628 2.718 2.125 284 HG13 ILE 46 2HG1 ILE 46 5.091 3.696 2.159 285 HG21 ILE 46 1HG2 ILE 46 5.017 -0.280 3.630 286 HG22 ILE 46 2HG2 ILE 46 3.550 0.567 3.143 287 HG23 ILE 46 3HG2 ILE 46 4.656 -0.057 1.919 288 HD11 ILE 46 3HD1 ILE 46 4.661 3.255 -0.102 289 HD12 ILE 46 1HD1 ILE 46 5.979 2.173 0.346 290 HD13 ILE 46 2HD1 ILE 46 4.335 1.550 0.208 291 H ALA 47 H ALA 47 4.161 0.596 5.771 292 HA ALA 47 HA ALA 47 6.545 -0.897 6.538 293 HB1 ALA 47 3HB ALA 47 4.680 0.295 8.585 294 HB2 ALA 47 1HB ALA 47 6.027 -0.794 8.917 295 HB3 ALA 47 2HB ALA 47 6.333 0.817 8.267 296 H VAL 48 H VAL 48 6.034 -2.902 5.954 297 HA VAL 48 HA VAL 48 3.287 -3.825 6.006 298 HB VAL 48 HB VAL 48 5.786 -5.336 5.234 299 HG11 VAL 48 1HG1 VAL 48 4.248 -7.004 5.553 300 HG12 VAL 48 2HG1 VAL 48 2.876 -5.965 5.162 301 HG13 VAL 48 3HG1 VAL 48 3.912 -6.582 3.875 302 HG21 VAL 48 3HG2 VAL 48 4.667 -3.160 3.939 303 HG22 VAL 48 1HG2 VAL 48 5.755 -4.355 3.233 304 HG23 VAL 48 2HG2 VAL 48 4.010 -4.553 3.078 305 H GLU 49 H GLU 49 2.389 -4.837 7.669 306 HA GLU 49 HA GLU 49 4.112 -6.365 9.498 307 HB2 GLU 49 1HB GLU 49 1.861 -4.505 10.279 308 HB3 GLU 49 2HB GLU 49 2.692 -5.589 11.385 309 HG2 GLU 49 1HG GLU 49 4.722 -4.395 11.175 310 HG3 GLU 49 2HG GLU 49 4.113 -3.466 9.806 311 H GLY 50 H GLY 50 3.499 -8.415 9.631 312 HA2 GLY 50 1HA GLY 50 0.644 -9.069 9.557 313 HA3 GLY 50 2HA GLY 50 1.685 -9.818 8.356 314 HA PRO 51 HA PRO 51 1.521 -12.684 11.961 315 HB2 PRO 51 1HB PRO 51 1.389 -14.932 10.445 316 HB3 PRO 51 2HB PRO 51 -0.038 -13.988 10.889 317 HG2 PRO 51 1HG PRO 51 1.518 -13.978 8.333 318 HG3 PRO 51 2HG PRO 51 -0.238 -13.958 8.572 319 HD2 PRO 51 1HD PRO 51 1.177 -11.725 7.991 320 HD3 PRO 51 2HD PRO 51 -0.281 -11.695 9.004 321 H SER 52 H SER 52 3.624 -12.067 9.375 322 HA SER 52 HA SER 52 5.823 -13.318 10.797 323 HB2 SER 52 1HB SER 52 4.737 -14.917 8.986 324 HB3 SER 52 2HB SER 52 5.692 -13.934 7.875 325 HG SER 52 HG SER 52 6.546 -15.647 9.929 326 H LYS 53 H LYS 53 7.900 -12.962 9.253 327 HA LYS 53 HA LYS 53 8.086 -10.100 8.994 328 HB2 LYS 53 1HB LYS 53 9.920 -11.503 9.928 329 HB3 LYS 53 2HB LYS 53 10.147 -12.213 8.335 330 HG2 LYS 53 1HG LYS 53 11.803 -10.551 8.579 331 HG3 LYS 53 2HG LYS 53 10.590 -9.891 7.480 332 HD2 LYS 53 1HD LYS 53 9.573 -8.929 9.709 333 HD3 LYS 53 2HD LYS 53 11.226 -9.133 10.293 334 HE2 LYS 53 1HE LYS 53 10.571 -7.685 7.739 335 HE3 LYS 53 2HE LYS 53 10.635 -6.871 9.302 336 HZ1 LYS 53 3HZ LYS 53 12.771 -7.665 7.601 337 HZ2 LYS 53 1HZ LYS 53 12.960 -8.323 9.147 338 HZ3 LYS 53 2HZ LYS 53 12.801 -6.651 8.955 339 H ALA 54 H ALA 54 8.091 -8.906 7.176 340 HA ALA 54 HA ALA 54 7.955 -10.340 4.603 341 HB1 ALA 54 3HB ALA 54 6.342 -8.810 3.799 342 HB2 ALA 54 1HB ALA 54 5.797 -9.301 5.404 343 HB3 ALA 54 2HB ALA 54 6.570 -7.732 5.176 344 H GLU 55 H GLU 55 9.151 -9.567 2.920 345 HA GLU 55 HA GLU 55 11.279 -7.735 3.576 346 HB2 GLU 55 1HB GLU 55 11.563 -9.822 2.185 347 HB3 GLU 55 2HB GLU 55 10.693 -9.000 0.897 348 HG2 GLU 55 1HG GLU 55 12.488 -7.161 1.192 349 HG3 GLU 55 2HG GLU 55 13.403 -8.426 2.012 350 H ILE 56 H ILE 56 11.759 -5.796 2.473 351 HA ILE 56 HA ILE 56 9.668 -4.650 0.785 352 HB ILE 56 HB ILE 56 10.659 -3.332 3.316 353 HG12 ILE 56 1HG1 ILE 56 7.806 -3.924 2.553 354 HG13 ILE 56 2HG1 ILE 56 8.798 -5.115 3.387 355 HG21 ILE 56 1HG2 ILE 56 9.742 -2.181 0.865 356 HG22 ILE 56 2HG2 ILE 56 8.571 -1.853 2.141 357 HG23 ILE 56 3HG2 ILE 56 10.256 -1.377 2.348 358 HD11 ILE 56 3HD1 ILE 56 9.209 -3.226 5.095 359 HD12 ILE 56 1HD1 ILE 56 7.784 -2.486 4.366 360 HD13 ILE 56 2HD1 ILE 56 7.667 -4.082 5.108 361 H THR 57 H THR 57 10.629 -3.864 -0.957 362 HA THR 57 HA THR 57 13.369 -2.810 -0.709 363 HB THR 57 HB THR 57 12.072 -3.910 -3.208 364 HG1 THR 57 1HG THR 57 13.668 -5.104 -1.207 365 HG21 THR 57 3HG2 THR 57 14.356 -3.896 -4.094 366 HG22 THR 57 1HG2 THR 57 14.941 -3.191 -2.588 367 HG23 THR 57 2HG2 THR 57 13.846 -2.275 -3.624 368 H PHE 58 H PHE 58 13.066 -0.657 -0.431 369 HA PHE 58 HA PHE 58 11.265 0.748 -2.273 370 HB2 PHE 58 1HB PHE 58 10.976 1.131 0.171 371 HB3 PHE 58 2HB PHE 58 12.606 1.795 0.228 372 HD1 PHE 58 2HD PHE 58 13.105 3.953 -0.780 373 HD2 PHE 58 1HD PHE 58 9.154 2.371 -0.778 374 HE1 PHE 58 2HE PHE 58 12.219 6.175 -1.350 375 HE2 PHE 58 1HE PHE 58 8.262 4.591 -1.349 376 HZ PHE 58 HZ PHE 58 9.794 6.497 -1.635 377 H ASP 59 H ASP 59 12.469 0.953 -4.118 378 HA ASP 59 HA ASP 59 15.002 2.440 -3.872 379 HB2 ASP 59 1HB ASP 59 15.616 0.398 -4.828 380 HB3 ASP 59 2HB ASP 59 14.137 0.288 -5.779 381 H ASP 60 H ASP 60 15.194 4.340 -4.904 382 HA ASP 60 HA ASP 60 12.944 5.183 -6.609 383 HB2 ASP 60 1HB ASP 60 13.025 6.502 -4.590 384 HB3 ASP 60 2HB ASP 60 14.744 6.814 -4.810 385 H HIS 61 H HIS 61 13.649 4.752 -8.636 386 HA HIS 61 HA HIS 61 16.298 5.763 -9.417 387 HB2 HIS 61 1HB HIS 61 16.311 3.548 -10.064 388 HB3 HIS 61 2HB HIS 61 14.581 3.523 -10.395 389 HD1 HIS 61 1HD HIS 61 13.900 3.757 -12.781 390 HD2 HIS 61 2HD HIS 61 17.838 4.919 -12.148 391 HE1 HIS 61 1HE HIS 61 14.850 4.188 -15.069 392 H LYS 62 H LYS 62 12.896 5.694 -10.398 393 HA LYS 62 HA LYS 62 13.439 7.937 -12.228 394 HB2 LYS 62 1HB LYS 62 12.330 5.671 -12.979 395 HB3 LYS 62 2HB LYS 62 10.880 6.386 -12.285 396 HG2 LYS 62 1HG LYS 62 11.582 8.434 -13.784 397 HG3 LYS 62 2HG LYS 62 12.426 7.181 -14.694 398 HD2 LYS 62 1HD LYS 62 9.566 6.787 -13.913 399 HD3 LYS 62 2HD LYS 62 9.967 7.798 -15.303 400 HE2 LYS 62 1HE LYS 62 11.120 5.048 -15.019 401 HE3 LYS 62 2HE LYS 62 9.499 5.282 -15.673 402 HZ1 LYS 62 3HZ LYS 62 10.457 6.749 -17.360 403 HZ2 LYS 62 1HZ LYS 62 11.110 5.190 -17.444 404 HZ3 LYS 62 2HZ LYS 62 12.006 6.448 -16.754 405 H ASN 63 H ASN 63 12.690 9.883 -11.706 406 HA ASN 63 HA ASN 63 11.225 10.295 -9.293 407 HB2 ASN 63 1HB ASN 63 11.216 12.710 -10.078 408 HB3 ASN 63 2HB ASN 63 12.804 11.975 -9.882 409 HD21 ASN 63 1HD2 ASN 63 14.134 12.606 -11.404 410 HD22 ASN 63 2HD2 ASN 63 13.743 12.849 -13.069 411 H GLY 64 H GLY 64 10.395 10.036 -12.662 412 HA2 GLY 64 1HA GLY 64 7.938 11.336 -12.732 413 HA3 GLY 64 2HA GLY 64 8.362 9.949 -13.725 414 H SER 65 H SER 65 8.608 7.946 -11.888 415 HA SER 65 HA SER 65 6.146 7.907 -10.319 416 HB2 SER 65 1HB SER 65 6.771 5.952 -12.540 417 HB3 SER 65 2HB SER 65 5.546 5.666 -11.305 418 HG SER 65 HG SER 65 5.569 7.967 -12.957 419 H CYS 66 H CYS 66 6.129 6.378 -8.651 420 HA CYS 66 HA CYS 66 8.744 5.129 -8.123 421 HB2 CYS 66 1HB CYS 66 7.833 7.037 -6.604 422 HB3 CYS 66 2HB CYS 66 6.765 5.794 -5.964 423 HG CYS 66 HG CYS 66 9.269 6.420 -4.480 424 H GLY 67 H GLY 67 8.719 3.118 -6.904 425 HA2 GLY 67 1HA GLY 67 6.180 1.642 -7.038 426 HA3 GLY 67 2HA GLY 67 7.592 0.981 -7.849 427 H VAL 68 H VAL 68 5.852 0.231 -5.413 428 HA VAL 68 HA VAL 68 8.108 -0.255 -3.576 429 HB VAL 68 HB VAL 68 5.191 0.027 -2.839 430 HG11 VAL 68 1HG1 VAL 68 6.611 -1.569 -1.481 431 HG12 VAL 68 2HG1 VAL 68 7.550 -0.161 -0.981 432 HG13 VAL 68 3HG1 VAL 68 5.834 -0.264 -0.583 433 HG21 VAL 68 3HG2 VAL 68 6.950 1.919 -1.589 434 HG22 VAL 68 1HG2 VAL 68 7.104 2.016 -3.343 435 HG23 VAL 68 2HG2 VAL 68 5.524 2.210 -2.585 436 H SER 69 H SER 69 8.653 -2.315 -3.339 437 HA SER 69 HA SER 69 6.700 -4.380 -4.106 438 HB2 SER 69 1HB SER 69 8.553 -5.804 -4.685 439 HB3 SER 69 2HB SER 69 8.822 -4.237 -5.448 440 HG SER 69 HG SER 69 9.957 -5.036 -2.972 441 H TYR 70 H TYR 70 6.537 -6.280 -2.849 442 HA TYR 70 HA TYR 70 7.919 -6.441 -0.315 443 HB2 TYR 70 1HB TYR 70 6.090 -6.172 1.122 444 HB3 TYR 70 2HB TYR 70 5.886 -4.872 -0.046 445 HD1 TYR 70 1HD TYR 70 4.633 -8.164 1.031 446 HD2 TYR 70 2HD TYR 70 4.013 -4.831 -1.540 447 HE1 TYR 70 1HE TYR 70 2.365 -8.977 0.534 448 HE2 TYR 70 2HE TYR 70 1.743 -5.634 -2.043 449 HH TYR 70 HH TYR 70 0.093 -7.065 -1.316 450 H ILE 71 H ILE 71 8.152 -8.506 0.312 451 HA ILE 71 HA ILE 71 6.475 -10.537 -1.010 452 HB ILE 71 HB ILE 71 9.428 -10.577 -0.436 453 HG12 ILE 71 1HG1 ILE 71 7.900 -11.301 -2.940 454 HG13 ILE 71 2HG1 ILE 71 8.514 -9.684 -2.616 455 HG21 ILE 71 1HG2 ILE 71 7.544 -12.875 -0.793 456 HG22 ILE 71 2HG2 ILE 71 9.222 -12.998 -1.318 457 HG23 ILE 71 3HG2 ILE 71 8.849 -12.673 0.375 458 HD11 ILE 71 3HD1 ILE 71 10.555 -11.716 -2.307 459 HD12 ILE 71 1HD1 ILE 71 9.841 -11.712 -3.919 460 HD13 ILE 71 2HD1 ILE 71 10.561 -10.238 -3.268 461 H ALA 72 H ALA 72 5.354 -11.799 0.316 462 HA ALA 72 HA ALA 72 5.999 -11.767 3.172 463 HB1 ALA 72 3HB ALA 72 3.796 -11.389 3.255 464 HB2 ALA 72 1HB ALA 72 3.540 -11.977 1.612 465 HB3 ALA 72 2HB ALA 72 3.630 -13.119 2.954 466 H GLN 73 H GLN 73 7.555 -13.284 3.503 467 HA GLN 73 HA GLN 73 7.979 -15.664 2.222 468 HB2 GLN 73 1HB GLN 73 8.468 -14.797 5.051 469 HB3 GLN 73 2HB GLN 73 8.846 -16.441 4.555 470 HG2 GLN 73 1HG GLN 73 9.919 -14.006 3.159 471 HG3 GLN 73 2HG GLN 73 10.752 -14.820 4.482 472 HE21 GLN 73 1HE2 GLN 73 10.653 -14.547 1.249 473 HE22 GLN 73 2HE2 GLN 73 11.279 -16.090 0.791 474 H GLU 74 H GLU 74 5.788 -15.057 4.937 475 HA GLU 74 HA GLU 74 4.658 -17.748 4.532 476 HB2 GLU 74 1HB GLU 74 4.234 -16.111 7.014 477 HB3 GLU 74 2HB GLU 74 4.086 -17.850 6.803 478 HG2 GLU 74 1HG GLU 74 6.654 -17.672 6.276 479 HG3 GLU 74 2HG GLU 74 6.513 -16.187 7.216 480 HA PRO 75 HA PRO 75 0.914 -15.899 3.148 481 HB2 PRO 75 1HB PRO 75 -0.812 -17.909 3.739 482 HB3 PRO 75 2HB PRO 75 0.334 -17.991 2.395 483 HG2 PRO 75 1HG PRO 75 0.540 -19.176 5.136 484 HG3 PRO 75 2HG PRO 75 0.949 -19.901 3.571 485 HD2 PRO 75 1HD PRO 75 2.822 -18.867 5.231 486 HD3 PRO 75 2HD PRO 75 2.986 -18.827 3.464 487 H GLY 76 H GLY 76 -0.997 -14.927 3.898 488 HA2 GLY 76 1HA GLY 76 -2.502 -15.153 6.058 489 HA3 GLY 76 2HA GLY 76 -1.040 -14.505 6.789 490 H ASN 77 H ASN 77 -2.944 -12.924 7.311 491 HA ASN 77 HA ASN 77 -3.434 -11.013 5.176 492 HB2 ASN 77 1HB ASN 77 -4.971 -9.950 6.696 493 HB3 ASN 77 2HB ASN 77 -5.235 -11.690 6.778 494 HD21 ASN 77 1HD2 ASN 77 -5.733 -9.464 8.695 495 HD22 ASN 77 2HD2 ASN 77 -4.965 -9.961 10.160 496 H TYR 78 H TYR 78 -1.705 -9.770 4.745 497 HA TYR 78 HA TYR 78 -0.131 -8.676 6.952 498 HB2 TYR 78 1HB TYR 78 0.306 -8.807 3.972 499 HB3 TYR 78 2HB TYR 78 1.317 -7.818 5.021 500 HD1 TYR 78 2HD TYR 78 0.100 -11.323 4.629 501 HD2 TYR 78 1HD TYR 78 3.204 -8.753 5.996 502 HE1 TYR 78 2HE TYR 78 1.498 -13.285 5.122 503 HE2 TYR 78 1HE TYR 78 4.612 -10.708 6.490 504 HH TYR 78 HH TYR 78 3.441 -13.817 6.677 505 H GLU 79 H GLU 79 -0.640 -6.759 7.752 506 HA GLU 79 HA GLU 79 -2.303 -4.932 6.210 507 HB2 GLU 79 1HB GLU 79 -2.517 -5.593 8.758 508 HB3 GLU 79 2HB GLU 79 -1.334 -4.309 8.966 509 HG2 GLU 79 1HG GLU 79 -2.966 -2.887 7.568 510 HG3 GLU 79 2HG GLU 79 -4.144 -4.136 7.966 511 H VAL 80 H VAL 80 -1.302 -3.580 4.876 512 HA VAL 80 HA VAL 80 1.407 -2.681 5.431 513 HB VAL 80 HB VAL 80 -0.356 -2.057 3.059 514 HG11 VAL 80 1HG1 VAL 80 1.541 -0.481 3.559 515 HG12 VAL 80 2HG1 VAL 80 2.639 -1.834 3.281 516 HG13 VAL 80 3HG1 VAL 80 1.601 -1.256 1.977 517 HG21 VAL 80 3HG2 VAL 80 1.799 -3.790 2.410 518 HG22 VAL 80 1HG2 VAL 80 0.936 -4.477 3.786 519 HG23 VAL 80 2HG2 VAL 80 0.067 -4.101 2.300 520 H SER 81 H SER 81 1.724 -0.942 6.640 521 HA SER 81 HA SER 81 -0.371 1.044 6.952 522 HB2 SER 81 1HB SER 81 1.581 2.036 8.478 523 HB3 SER 81 2HB SER 81 0.556 0.709 9.026 524 HG SER 81 HG SER 81 2.397 -0.281 9.274 525 H ILE 82 H ILE 82 -0.461 2.907 5.890 526 HA ILE 82 HA ILE 82 1.984 3.890 4.569 527 HB ILE 82 HB ILE 82 -0.831 4.061 3.484 528 HG12 ILE 82 1HG1 ILE 82 1.538 2.346 2.741 529 HG13 ILE 82 2HG1 ILE 82 -0.073 1.817 3.211 530 HG21 ILE 82 1HG2 ILE 82 0.087 5.137 1.575 531 HG22 ILE 82 2HG2 ILE 82 0.698 5.992 2.991 532 HG23 ILE 82 3HG2 ILE 82 1.738 4.856 2.131 533 HD11 ILE 82 3HD1 ILE 82 -0.600 3.333 1.011 534 HD12 ILE 82 1HD1 ILE 82 0.959 2.617 0.604 535 HD13 ILE 82 2HD1 ILE 82 -0.407 1.581 1.021 536 H LYS 83 H LYS 83 2.462 6.004 4.809 537 HA LYS 83 HA LYS 83 0.439 7.807 5.921 538 HB2 LYS 83 1HB LYS 83 3.057 7.071 7.173 539 HB3 LYS 83 2HB LYS 83 2.425 8.697 7.391 540 HG2 LYS 83 1HG LYS 83 0.245 7.394 8.083 541 HG3 LYS 83 2HG LYS 83 1.403 6.106 8.423 542 HD2 LYS 83 1HD LYS 83 1.642 8.913 9.496 543 HD3 LYS 83 2HD LYS 83 0.883 7.584 10.375 544 HE2 LYS 83 1HE LYS 83 3.659 7.295 9.295 545 HE3 LYS 83 2HE LYS 83 3.380 8.150 10.811 546 HZ1 LYS 83 3HZ LYS 83 3.594 6.090 11.654 547 HZ2 LYS 83 1HZ LYS 83 3.161 5.316 10.213 548 HZ3 LYS 83 2HZ LYS 83 1.963 5.944 11.228 549 H PHE 84 H PHE 84 0.444 9.740 4.964 550 HA PHE 84 HA PHE 84 2.704 10.391 3.202 551 HB2 PHE 84 1HB PHE 84 0.605 10.224 2.018 552 HB3 PHE 84 2HB PHE 84 -0.174 11.315 3.160 553 HD1 PHE 84 2HD PHE 84 2.806 11.286 0.910 554 HD2 PHE 84 1HD PHE 84 -0.496 13.472 2.471 555 HE1 PHE 84 2HE PHE 84 3.402 13.200 -0.517 556 HE2 PHE 84 1HE PHE 84 0.094 15.388 1.046 557 HZ PHE 84 HZ PHE 84 2.046 15.255 -0.450 558 H ASN 85 H ASN 85 4.070 11.386 4.670 559 HA ASN 85 HA ASN 85 4.983 13.199 5.709 560 HB2 ASN 85 1HB ASN 85 2.434 14.727 5.203 561 HB3 ASN 85 2HB ASN 85 4.065 15.361 5.401 562 HD21 ASN 85 1HD2 ASN 85 2.946 16.354 3.333 563 HD22 ASN 85 2HD2 ASN 85 3.429 15.603 1.853 564 H ASP 86 H ASP 86 3.981 11.303 7.301 565 HA ASP 86 HA ASP 86 3.361 10.889 9.451 566 HB2 ASP 86 1HB ASP 86 4.666 13.187 9.651 567 HB3 ASP 86 2HB ASP 86 3.065 13.796 10.060 568 H GLU 87 H GLU 87 1.374 11.187 7.358 569 HA GLU 87 HA GLU 87 -0.951 11.709 9.070 570 HB2 GLU 87 1HB GLU 87 -0.333 12.916 6.412 571 HB3 GLU 87 2HB GLU 87 -2.007 12.522 6.777 572 HG2 GLU 87 1HG GLU 87 -1.818 13.886 8.842 573 HG3 GLU 87 2HG GLU 87 -0.203 14.368 8.323 574 H HIS 88 H HIS 88 -2.642 10.316 8.817 575 HA HIS 88 HA HIS 88 -2.125 7.972 7.153 576 HB2 HIS 88 1HB HIS 88 -3.721 8.521 9.596 577 HB3 HIS 88 2HB HIS 88 -4.339 7.282 8.507 578 HD2 HIS 88 2HD HIS 88 -1.317 7.873 10.908 579 HE1 HIS 88 1HE HIS 88 -1.255 3.832 9.619 580 HE2 HIS 88 2HE HIS 88 -0.300 5.517 11.229 581 H ILE 89 H ILE 89 -3.239 7.504 5.364 582 HA ILE 89 HA ILE 89 -5.246 9.387 4.446 583 HB ILE 89 HB ILE 89 -5.192 7.680 2.428 584 HG12 ILE 89 1HG1 ILE 89 -2.395 7.300 3.446 585 HG13 ILE 89 2HG1 ILE 89 -3.669 6.184 3.928 586 HG21 ILE 89 1HG2 ILE 89 -2.686 9.221 2.572 587 HG22 ILE 89 2HG2 ILE 89 -3.969 9.250 1.365 588 HG23 ILE 89 3HG2 ILE 89 -4.166 10.129 2.881 589 HD11 ILE 89 3HD1 ILE 89 -2.159 5.697 1.853 590 HD12 ILE 89 1HD1 ILE 89 -3.878 5.306 1.831 591 HD13 ILE 89 2HD1 ILE 89 -3.297 6.770 1.038 592 HA PRO 90 HA PRO 90 -8.842 7.010 5.265 593 HB2 PRO 90 1HB PRO 90 -10.340 7.451 3.044 594 HB3 PRO 90 2HB PRO 90 -10.057 8.690 4.273 595 HG2 PRO 90 1HG PRO 90 -8.698 8.294 1.636 596 HG3 PRO 90 2HG PRO 90 -9.258 9.797 2.391 597 HD2 PRO 90 1HD PRO 90 -6.663 9.023 2.437 598 HD3 PRO 90 2HD PRO 90 -7.406 9.948 3.757 599 H GLU 91 H GLU 91 -6.670 6.102 2.908 600 HA GLU 91 HA GLU 91 -8.201 3.674 2.246 601 HB2 GLU 91 1HB GLU 91 -5.906 4.938 0.736 602 HB3 GLU 91 2HB GLU 91 -6.742 3.462 0.273 603 HG2 GLU 91 1HG GLU 91 -8.257 6.013 0.617 604 HG3 GLU 91 2HG GLU 91 -7.370 5.687 -0.871 605 H SER 92 H SER 92 -5.903 4.734 4.290 606 HA SER 92 HA SER 92 -4.576 2.107 4.362 607 HB2 SER 92 1HB SER 92 -2.476 3.017 4.602 608 HB3 SER 92 2HB SER 92 -3.213 4.253 3.582 609 HG SER 92 HG SER 92 -2.727 4.309 6.361 610 HA PRO 93 HA PRO 93 -2.763 1.460 5.783 611 HB2 PRO 93 1HB PRO 93 -2.988 -0.820 7.241 612 HB3 PRO 93 2HB PRO 93 -2.122 0.608 7.819 613 HG2 PRO 93 1HG PRO 93 -4.899 -0.310 8.458 614 HG3 PRO 93 2HG PRO 93 -3.657 0.340 9.544 615 HD2 PRO 93 1HD PRO 93 -5.707 1.843 8.610 616 HD3 PRO 93 2HD PRO 93 -4.103 2.522 8.953 617 H TYR 94 H TYR 94 -2.674 -0.703 4.701 618 HA TYR 94 HA TYR 94 -5.310 -1.349 3.566 619 HB2 TYR 94 1HB TYR 94 -2.530 -1.635 2.422 620 HB3 TYR 94 2HB TYR 94 -3.966 -2.304 1.657 621 HD1 TYR 94 2HD TYR 94 -2.473 0.896 2.827 622 HD2 TYR 94 1HD TYR 94 -5.266 -0.987 0.226 623 HE1 TYR 94 2HE TYR 94 -2.869 3.048 1.704 624 HE2 TYR 94 1HE TYR 94 -5.669 1.160 -0.904 625 HH TYR 94 HH TYR 94 -4.089 4.141 0.195 626 H LEU 95 H LEU 95 -5.993 -3.466 3.388 627 HA LEU 95 HA LEU 95 -4.425 -5.430 4.926 628 HB2 LEU 95 1HB LEU 95 -6.665 -4.672 5.835 629 HB3 LEU 95 2HB LEU 95 -7.396 -5.503 4.463 630 HG LEU 95 HG LEU 95 -6.448 -7.627 5.268 631 HD11 LEU 95 1HD1 LEU 95 -5.839 -6.828 7.950 632 HD12 LEU 95 2HD1 LEU 95 -4.819 -5.944 6.816 633 HD13 LEU 95 3HD1 LEU 95 -4.841 -7.708 6.792 634 HD21 LEU 95 3HD2 LEU 95 -8.716 -6.868 5.929 635 HD22 LEU 95 1HD2 LEU 95 -8.021 -6.194 7.404 636 HD23 LEU 95 2HD2 LEU 95 -7.958 -7.932 7.115 637 H VAL 96 H VAL 96 -3.335 -6.584 3.438 638 HA VAL 96 HA VAL 96 -4.805 -7.585 1.096 639 HB VAL 96 HB VAL 96 -1.823 -7.741 1.435 640 HG11 VAL 96 1HG1 VAL 96 -3.536 -7.561 -1.040 641 HG12 VAL 96 2HG1 VAL 96 -1.805 -7.896 -0.961 642 HG13 VAL 96 3HG1 VAL 96 -2.961 -9.072 -0.333 643 HG21 VAL 96 3HG2 VAL 96 -1.504 -5.619 0.497 644 HG22 VAL 96 1HG2 VAL 96 -3.194 -5.482 0.012 645 HG23 VAL 96 2HG2 VAL 96 -2.755 -5.372 1.717 646 HA PRO 97 HA PRO 97 -4.776 -11.437 3.426 647 HB2 PRO 97 1HB PRO 97 -6.485 -12.722 1.753 648 HB3 PRO 97 2HB PRO 97 -7.027 -11.579 2.987 649 HG2 PRO 97 1HG PRO 97 -6.615 -11.146 0.053 650 HG3 PRO 97 2HG PRO 97 -7.944 -10.593 1.090 651 HD2 PRO 97 1HD PRO 97 -5.904 -8.975 0.349 652 HD3 PRO 97 2HD PRO 97 -6.729 -8.816 1.912 653 H VAL 98 H VAL 98 -2.579 -11.909 2.904 654 HA VAL 98 HA VAL 98 -1.883 -12.972 0.324 655 HB VAL 98 HB VAL 98 -0.261 -13.157 2.860 656 HG11 VAL 98 1HG1 VAL 98 1.071 -12.773 0.284 657 HG12 VAL 98 2HG1 VAL 98 1.432 -13.901 1.592 658 HG13 VAL 98 3HG1 VAL 98 0.178 -14.287 0.413 659 HG21 VAL 98 3HG2 VAL 98 -1.149 -10.808 1.934 660 HG22 VAL 98 1HG2 VAL 98 0.443 -11.012 2.664 661 HG23 VAL 98 2HG2 VAL 98 0.273 -10.999 0.908 662 H ILE 99 H ILE 99 -1.581 -15.075 -0.263 663 HA ILE 99 HA ILE 99 -2.018 -17.163 1.746 664 HB ILE 99 HB ILE 99 -3.509 -18.395 0.223 665 HG12 ILE 99 1HG1 ILE 99 -3.930 -15.909 -1.388 666 HG13 ILE 99 2HG1 ILE 99 -2.578 -16.963 -1.789 667 HG21 ILE 99 1HG2 ILE 99 -5.494 -16.866 0.468 668 HG22 ILE 99 2HG2 ILE 99 -4.573 -17.157 1.942 669 HG23 ILE 99 3HG2 ILE 99 -4.376 -15.640 1.066 670 HD11 ILE 99 3HD1 ILE 99 -4.235 -17.745 -3.171 671 HD12 ILE 99 1HD1 ILE 99 -4.378 -18.831 -1.788 672 HD13 ILE 99 2HD1 ILE 99 -5.504 -17.486 -1.975 673 H ALA 100 H ALA 100 -1.301 -19.286 1.066 674 HA ALA 100 HA ALA 100 1.127 -19.135 -0.476 675 HB1 ALA 100 3HB ALA 100 0.119 -21.773 0.383 676 HB2 ALA 100 1HB ALA 100 1.725 -21.061 0.543 677 HB3 ALA 100 2HB ALA 100 0.441 -20.603 1.662 678 HA PRO 101 HA PRO 101 -0.985 -20.188 -4.274 679 HB2 PRO 101 1HB PRO 101 1.231 -20.063 -5.838 680 HB3 PRO 101 2HB PRO 101 0.363 -18.626 -5.285 681 HG2 PRO 101 1HG PRO 101 2.853 -19.874 -4.189 682 HG3 PRO 101 2HG PRO 101 2.487 -18.160 -4.461 683 HD2 PRO 101 1HD PRO 101 2.323 -19.315 -2.017 684 HD3 PRO 101 2HD PRO 101 1.258 -17.986 -2.518 685 H SER 102 H SER 102 -1.523 -22.202 -4.801 686 HA SER 102 HA SER 102 0.556 -24.203 -5.207 687 HB2 SER 102 1HB SER 102 -0.194 -24.411 -2.822 688 HB3 SER 102 2HB SER 102 -1.817 -24.768 -3.415 689 HG SER 102 HG SER 102 0.377 -26.257 -4.349 690 H ASP 103 H ASP 103 0.014 -25.784 -6.680 691 HA ASP 103 HA ASP 103 -2.691 -25.683 -7.824 692 HB2 ASP 103 1HB ASP 103 -0.078 -25.278 -9.212 693 HB3 ASP 103 2HB ASP 103 -1.360 -26.129 -10.071 694 H ASP 104 H ASP 104 -3.580 -27.619 -8.223 695 HA ASP 104 HA ASP 104 -2.187 -29.983 -7.389 696 HB2 ASP 104 1HB ASP 104 -4.731 -29.384 -7.198 697 HB3 ASP 104 2HB ASP 104 -4.817 -30.056 -8.824 698 H ALA 105 H ALA 105 -3.721 -29.037 -10.469 699 HA ALA 105 HA ALA 105 -2.563 -31.192 -11.924 700 HB1 ALA 105 3HB ALA 105 -4.016 -30.575 -13.490 701 HB2 ALA 105 1HB ALA 105 -4.559 -29.313 -12.384 702 HB3 ALA 105 2HB ALA 105 -3.321 -28.958 -13.589 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -4.997 42.667 0.098 2 HA2 GLY 1 1HA GLY 1 -3.101 42.596 1.895 3 HA3 GLY 1 2HA GLY 1 -4.461 42.857 2.975 4 H SER 2 H SER 2 -6.402 41.264 2.092 5 HA SER 2 HA SER 2 -5.247 38.597 2.460 6 HB2 SER 2 1HB SER 2 -6.937 39.196 4.088 7 HB3 SER 2 2HB SER 2 -8.076 39.615 2.809 8 HG SER 2 HG SER 2 -8.169 37.455 2.225 9 H SER 3 H SER 3 -5.480 36.978 1.008 10 HA SER 3 HA SER 3 -6.815 37.662 -1.527 11 HB2 SER 3 1HB SER 3 -4.256 37.185 -1.401 12 HB3 SER 3 2HB SER 3 -4.747 35.496 -1.277 13 HG SER 3 HG SER 3 -6.089 36.098 -3.237 14 H GLY 4 H GLY 4 -5.972 34.795 0.430 15 HA2 GLY 4 1HA GLY 4 -8.100 33.578 1.171 16 HA3 GLY 4 2HA GLY 4 -8.442 33.520 -0.552 17 H SER 5 H SER 5 -6.486 32.618 -1.862 18 HA SER 5 HA SER 5 -5.328 30.741 -2.425 19 HB2 SER 5 1HB SER 5 -3.892 31.873 -0.539 20 HB3 SER 5 2HB SER 5 -4.385 30.471 0.409 21 HG SER 5 HG SER 5 -2.360 30.412 -0.988 22 H SER 6 H SER 6 -8.000 30.302 -1.747 23 HA SER 6 HA SER 6 -8.399 28.219 0.105 24 HB2 SER 6 1HB SER 6 -10.205 29.657 -0.864 25 HB3 SER 6 2HB SER 6 -10.032 28.777 -2.382 26 HG SER 6 HG SER 6 -10.959 27.060 -1.516 27 H GLY 7 H GLY 7 -9.078 25.986 -0.449 28 HA2 GLY 7 1HA GLY 7 -8.996 24.303 -2.322 29 HA3 GLY 7 2HA GLY 7 -7.380 24.924 -2.621 30 H GLU 8 H GLU 8 -7.895 22.224 -2.140 31 HA GLU 8 HA GLU 8 -6.639 21.865 0.502 32 HB2 GLU 8 1HB GLU 8 -8.729 20.206 -0.887 33 HB3 GLU 8 2HB GLU 8 -7.704 19.522 0.366 34 HG2 GLU 8 1HG GLU 8 -9.478 20.154 1.630 35 HG3 GLU 8 2HG GLU 8 -8.522 21.632 1.712 36 H GLY 9 H GLY 9 -5.311 19.863 0.667 37 HA2 GLY 9 1HA GLY 9 -4.419 18.378 -1.512 38 HA3 GLY 9 2HA GLY 9 -3.386 19.795 -1.409 39 H GLY 10 H GLY 10 -4.506 16.939 0.333 40 HA2 GLY 10 1HA GLY 10 -1.904 16.822 1.668 41 HA3 GLY 10 2HA GLY 10 -3.335 16.862 2.688 42 H ALA 11 H ALA 11 -3.157 14.842 3.563 43 HA ALA 11 HA ALA 11 -2.520 12.504 2.122 44 HB1 ALA 11 3HB ALA 11 -2.742 11.412 4.097 45 HB2 ALA 11 1HB ALA 11 -2.667 13.057 4.727 46 HB3 ALA 11 2HB ALA 11 -4.228 12.259 4.527 47 H HIS 12 H HIS 12 -5.677 13.608 3.375 48 HA HIS 12 HA HIS 12 -7.340 11.694 2.428 49 HB2 HIS 12 1HB HIS 12 -9.104 13.342 2.349 50 HB3 HIS 12 2HB HIS 12 -8.040 13.721 3.700 51 HD1 HIS 12 1HD HIS 12 -5.908 15.410 2.534 52 HD2 HIS 12 2HD HIS 12 -9.858 15.697 1.280 53 HE1 HIS 12 1HE HIS 12 -6.125 17.700 1.516 54 H LYS 13 H LYS 13 -5.628 14.066 0.541 55 HA LYS 13 HA LYS 13 -7.085 13.372 -1.887 56 HB2 LYS 13 1HB LYS 13 -4.843 15.341 -1.397 57 HB3 LYS 13 2HB LYS 13 -5.643 15.101 -2.945 58 HG2 LYS 13 1HG LYS 13 -7.269 15.788 -0.542 59 HG3 LYS 13 2HG LYS 13 -6.364 17.050 -1.381 60 HD2 LYS 13 1HD LYS 13 -8.354 17.162 -2.510 61 HD3 LYS 13 2HD LYS 13 -7.502 15.979 -3.505 62 HE2 LYS 13 1HE LYS 13 -8.774 14.229 -2.753 63 HE3 LYS 13 2HE LYS 13 -9.109 14.996 -1.202 64 HZ1 LYS 13 3HZ LYS 13 -10.371 16.664 -2.817 65 HZ2 LYS 13 1HZ LYS 13 -11.114 15.292 -2.162 66 HZ3 LYS 13 2HZ LYS 13 -10.509 15.253 -3.742 67 H VAL 14 H VAL 14 -5.705 11.227 -0.780 68 HA VAL 14 HA VAL 14 -3.682 10.758 -2.859 69 HB VAL 14 HB VAL 14 -3.408 10.104 0.072 70 HG11 VAL 14 1HG1 VAL 14 -1.269 8.992 -0.606 71 HG12 VAL 14 2HG1 VAL 14 -2.732 8.134 -1.094 72 HG13 VAL 14 3HG1 VAL 14 -1.824 9.079 -2.276 73 HG21 VAL 14 3HG2 VAL 14 -1.594 11.546 0.099 74 HG22 VAL 14 1HG2 VAL 14 -1.373 11.461 -1.649 75 HG23 VAL 14 2HG2 VAL 14 -2.721 12.376 -0.974 76 H ARG 15 H ARG 15 -4.485 9.208 -4.109 77 HA ARG 15 HA ARG 15 -5.950 6.992 -2.836 78 HB2 ARG 15 1HB ARG 15 -7.346 8.280 -4.367 79 HB3 ARG 15 2HB ARG 15 -6.165 8.067 -5.653 80 HG2 ARG 15 1HG ARG 15 -7.642 6.441 -6.225 81 HG3 ARG 15 2HG ARG 15 -6.600 5.512 -5.144 82 HD2 ARG 15 1HD ARG 15 -8.817 5.010 -4.505 83 HD3 ARG 15 2HD ARG 15 -8.197 6.123 -3.286 84 HE ARG 15 HE ARG 15 -9.708 7.712 -3.996 85 HH11 ARG 15 1HH1 ARG 15 -9.659 5.035 -6.219 86 HH12 ARG 15 2HH1 ARG 15 -11.073 5.551 -7.077 87 HH21 ARG 15 1HH2 ARG 15 -11.571 8.403 -5.116 88 HH22 ARG 15 2HH2 ARG 15 -12.160 7.468 -6.448 89 H ALA 16 H ALA 16 -4.784 5.202 -2.687 90 HA ALA 16 HA ALA 16 -2.603 4.730 -4.579 91 HB1 ALA 16 3HB ALA 16 -2.484 4.546 -1.965 92 HB2 ALA 16 1HB ALA 16 -3.135 2.934 -2.262 93 HB3 ALA 16 2HB ALA 16 -1.602 3.414 -2.990 94 H GLY 17 H GLY 17 -2.869 3.413 -6.253 95 HA2 GLY 17 1HA GLY 17 -4.974 1.344 -6.074 96 HA3 GLY 17 2HA GLY 17 -4.626 2.233 -7.549 97 H GLY 18 H GLY 18 -4.182 0.387 -8.753 98 HA2 GLY 18 1HA GLY 18 -2.570 -0.952 -9.768 99 HA3 GLY 18 2HA GLY 18 -1.485 -0.618 -8.427 100 HA PRO 19 HA PRO 19 -3.697 -4.865 -8.145 101 HB2 PRO 19 1HB PRO 19 -1.824 -6.455 -9.302 102 HB3 PRO 19 2HB PRO 19 -3.162 -5.734 -10.204 103 HG2 PRO 19 1HG PRO 19 -0.317 -4.830 -9.991 104 HG3 PRO 19 2HG PRO 19 -1.361 -4.910 -11.421 105 HD2 PRO 19 1HD PRO 19 -0.889 -2.601 -10.089 106 HD3 PRO 19 2HD PRO 19 -2.430 -2.933 -10.907 107 H GLY 20 H GLY 20 -3.043 -6.563 -6.716 108 HA2 GLY 20 1HA GLY 20 -1.376 -7.631 -5.344 109 HA3 GLY 20 2HA GLY 20 -0.469 -6.125 -5.351 110 H LEU 21 H LEU 21 -2.575 -4.355 -4.744 111 HA LEU 21 HA LEU 21 -2.620 -4.591 -1.918 112 HB2 LEU 21 1HB LEU 21 -3.964 -2.750 -3.869 113 HB3 LEU 21 2HB LEU 21 -4.289 -2.654 -2.139 114 HG LEU 21 HG LEU 21 -1.491 -2.451 -3.206 115 HD11 LEU 21 1HD1 LEU 21 -2.117 -0.607 -4.309 116 HD12 LEU 21 2HD1 LEU 21 -2.216 0.126 -2.708 117 HD13 LEU 21 3HD1 LEU 21 -3.669 -0.514 -3.476 118 HD21 LEU 21 3HD2 LEU 21 -2.669 -1.127 -0.788 119 HD22 LEU 21 1HD2 LEU 21 -0.984 -1.512 -1.136 120 HD23 LEU 21 2HD2 LEU 21 -2.118 -2.802 -0.736 121 H GLU 22 H GLU 22 -4.906 -5.372 -4.455 122 HA GLU 22 HA GLU 22 -7.161 -5.741 -2.766 123 HB2 GLU 22 1HB GLU 22 -8.129 -6.943 -4.710 124 HB3 GLU 22 2HB GLU 22 -7.481 -5.362 -5.127 125 HG2 GLU 22 1HG GLU 22 -5.593 -6.302 -6.180 126 HG3 GLU 22 2HG GLU 22 -5.918 -7.896 -5.500 127 H ARG 23 H ARG 23 -4.647 -7.890 -3.999 128 HA ARG 23 HA ARG 23 -5.083 -9.734 -1.843 129 HB2 ARG 23 1HB ARG 23 -6.751 -10.236 -3.840 130 HB3 ARG 23 2HB ARG 23 -5.331 -11.012 -4.527 131 HG2 ARG 23 1HG ARG 23 -5.232 -12.137 -2.137 132 HG3 ARG 23 2HG ARG 23 -6.959 -11.772 -2.168 133 HD2 ARG 23 1HD ARG 23 -5.703 -13.084 -4.534 134 HD3 ARG 23 2HD ARG 23 -6.049 -14.049 -3.099 135 HE ARG 23 HE ARG 23 -8.356 -12.636 -3.685 136 HH11 ARG 23 1HH1 ARG 23 -6.354 -15.042 -5.208 137 HH12 ARG 23 2HH1 ARG 23 -7.659 -15.755 -6.095 138 HH21 ARG 23 1HH2 ARG 23 -10.084 -13.566 -4.848 139 HH22 ARG 23 2HH2 ARG 23 -9.781 -14.914 -5.891 140 H GLY 24 H GLY 24 -3.282 -10.932 -1.413 141 HA2 GLY 24 1HA GLY 24 -1.076 -10.741 -3.372 142 HA3 GLY 24 2HA GLY 24 -0.822 -10.505 -1.649 143 H GLU 25 H GLU 25 0.718 -12.334 -2.863 144 HA GLU 25 HA GLU 25 -0.347 -14.856 -1.801 145 HB2 GLU 25 1HB GLU 25 0.787 -14.343 -4.522 146 HB3 GLU 25 2HB GLU 25 1.050 -15.907 -3.766 147 HG2 GLU 25 1HG GLU 25 -0.854 -16.293 -4.978 148 HG3 GLU 25 2HG GLU 25 -1.521 -15.869 -3.402 149 H ALA 26 H ALA 26 1.055 -16.004 -0.592 150 HA ALA 26 HA ALA 26 3.425 -14.813 0.343 151 HB1 ALA 26 3HB ALA 26 3.634 -16.631 1.757 152 HB2 ALA 26 1HB ALA 26 1.900 -16.603 1.434 153 HB3 ALA 26 2HB ALA 26 2.937 -17.752 0.588 154 H GLY 27 H GLY 27 5.482 -14.895 -0.330 155 HA2 GLY 27 1HA GLY 27 7.390 -15.777 -1.352 156 HA3 GLY 27 2HA GLY 27 6.401 -17.060 -2.035 157 H VAL 28 H VAL 28 4.681 -14.417 -2.719 158 HA VAL 28 HA VAL 28 5.992 -14.080 -5.334 159 HB VAL 28 HB VAL 28 3.103 -13.908 -4.517 160 HG11 VAL 28 1HG1 VAL 28 2.966 -12.121 -5.884 161 HG12 VAL 28 2HG1 VAL 28 4.489 -12.493 -6.696 162 HG13 VAL 28 3HG1 VAL 28 3.013 -13.345 -7.153 163 HG21 VAL 28 3HG2 VAL 28 2.908 -15.877 -5.540 164 HG22 VAL 28 1HG2 VAL 28 3.732 -15.278 -6.980 165 HG23 VAL 28 2HG2 VAL 28 4.669 -15.923 -5.632 166 HA PRO 29 HA PRO 29 6.869 -9.913 -4.098 167 HB2 PRO 29 1HB PRO 29 7.722 -9.036 -6.522 168 HB3 PRO 29 2HB PRO 29 8.704 -10.064 -5.472 169 HG2 PRO 29 1HG PRO 29 7.033 -10.819 -7.839 170 HG3 PRO 29 2HG PRO 29 8.658 -11.373 -7.394 171 HD2 PRO 29 1HD PRO 29 6.438 -12.849 -6.924 172 HD3 PRO 29 2HD PRO 29 7.858 -12.895 -5.859 173 H ALA 30 H ALA 30 5.062 -8.761 -3.675 174 HA ALA 30 HA ALA 30 3.240 -8.099 -5.874 175 HB1 ALA 30 3HB ALA 30 1.679 -7.394 -4.142 176 HB2 ALA 30 1HB ALA 30 2.244 -9.039 -3.848 177 HB3 ALA 30 2HB ALA 30 2.897 -7.700 -2.904 178 H GLU 31 H GLU 31 4.025 -6.385 -6.971 179 HA GLU 31 HA GLU 31 4.875 -4.032 -5.420 180 HB2 GLU 31 1HB GLU 31 5.439 -4.337 -8.343 181 HB3 GLU 31 2HB GLU 31 6.332 -3.438 -7.126 182 HG2 GLU 31 1HG GLU 31 7.231 -5.455 -6.204 183 HG3 GLU 31 2HG GLU 31 6.213 -6.440 -7.252 184 H PHE 32 H PHE 32 3.888 -2.095 -5.713 185 HA PHE 32 HA PHE 32 1.919 -1.812 -7.856 186 HB2 PHE 32 1HB PHE 32 0.207 -0.993 -6.305 187 HB3 PHE 32 2HB PHE 32 0.662 -2.650 -5.920 188 HD1 PHE 32 2HD PHE 32 2.479 -2.932 -4.086 189 HD2 PHE 32 1HD PHE 32 0.164 0.596 -4.636 190 HE1 PHE 32 2HE PHE 32 2.954 -2.263 -1.767 191 HE2 PHE 32 1HE PHE 32 0.636 1.272 -2.318 192 HZ PHE 32 HZ PHE 32 2.032 -0.159 -0.880 193 H SER 33 H SER 33 1.540 0.298 -8.504 194 HA SER 33 HA SER 33 3.509 2.237 -7.534 195 HB2 SER 33 1HB SER 33 1.902 2.031 -10.077 196 HB3 SER 33 2HB SER 33 2.769 3.503 -9.640 197 HG SER 33 HG SER 33 4.137 2.279 -10.883 198 H ILE 34 H ILE 34 2.906 3.798 -6.199 199 HA ILE 34 HA ILE 34 0.073 4.334 -5.792 200 HB ILE 34 HB ILE 34 2.378 5.565 -4.291 201 HG12 ILE 34 1HG1 ILE 34 0.860 3.235 -3.207 202 HG13 ILE 34 2HG1 ILE 34 2.128 2.923 -4.387 203 HG21 ILE 34 1HG2 ILE 34 0.753 5.968 -2.565 204 HG22 ILE 34 2HG2 ILE 34 0.144 6.617 -4.086 205 HG23 ILE 34 3HG2 ILE 34 -0.481 5.089 -3.468 206 HD11 ILE 34 3HD1 ILE 34 3.683 4.217 -2.911 207 HD12 ILE 34 1HD1 ILE 34 2.401 4.233 -1.699 208 HD13 ILE 34 2HD1 ILE 34 3.087 2.699 -2.236 209 H TRP 35 H TRP 35 -0.916 5.917 -6.837 210 HA TRP 35 HA TRP 35 0.682 8.092 -7.982 211 HB2 TRP 35 1HB TRP 35 -0.657 7.087 -9.647 212 HB3 TRP 35 2HB TRP 35 -2.062 7.009 -8.588 213 HD1 TRP 35 HD TRP 35 -3.847 8.689 -9.282 214 HE1 TRP 35 1HE TRP 35 -3.874 11.044 -10.320 215 HE3 TRP 35 3HE TRP 35 1.191 9.435 -9.740 216 HZ2 TRP 35 2HZ TRP 35 -2.009 12.964 -11.215 217 HZ3 TRP 35 3HZ TRP 35 1.987 11.558 -10.697 218 HH2 TRP 35 HH TRP 35 0.419 13.285 -11.419 219 H THR 36 H THR 36 0.004 10.282 -7.778 220 HA THR 36 HA THR 36 -1.725 10.797 -5.446 221 HB THR 36 HB THR 36 -0.298 12.742 -4.900 222 HG1 THR 36 1HG THR 36 1.476 13.192 -6.060 223 HG21 THR 36 3HG2 THR 36 1.637 11.458 -4.032 224 HG22 THR 36 1HG2 THR 36 1.129 10.083 -5.010 225 HG23 THR 36 2HG2 THR 36 0.091 10.672 -3.711 226 H ARG 37 H ARG 37 -3.262 12.323 -5.679 227 HA ARG 37 HA ARG 37 -3.179 14.014 -8.086 228 HB2 ARG 37 1HB ARG 37 -4.771 12.017 -8.223 229 HB3 ARG 37 2HB ARG 37 -5.725 12.831 -6.990 230 HG2 ARG 37 1HG ARG 37 -5.611 14.842 -8.659 231 HG3 ARG 37 2HG ARG 37 -5.271 13.572 -9.837 232 HD2 ARG 37 1HD ARG 37 -7.594 13.368 -7.952 233 HD3 ARG 37 2HD ARG 37 -7.718 14.277 -9.457 234 HE ARG 37 HE ARG 37 -6.705 11.801 -10.134 235 HH11 ARG 37 1HH1 ARG 37 -9.593 13.051 -8.647 236 HH12 ARG 37 2HH1 ARG 37 -10.602 11.766 -9.222 237 HH21 ARG 37 1HH2 ARG 37 -8.023 10.103 -10.897 238 HH22 ARG 37 2HH2 ARG 37 -9.708 10.089 -10.500 239 H GLU 38 H GLU 38 -3.892 16.097 -7.857 240 HA GLU 38 HA GLU 38 -4.165 18.066 -6.730 241 HB2 GLU 38 1HB GLU 38 -6.485 16.863 -6.762 242 HB3 GLU 38 2HB GLU 38 -6.213 16.685 -5.034 243 HG2 GLU 38 1HG GLU 38 -7.570 18.663 -5.645 244 HG3 GLU 38 2HG GLU 38 -6.110 19.050 -4.734 245 H ALA 39 H ALA 39 -2.041 16.624 -5.710 246 HA ALA 39 HA ALA 39 -2.102 17.479 -2.907 247 HB1 ALA 39 3HB ALA 39 -2.094 14.775 -3.723 248 HB2 ALA 39 1HB ALA 39 -0.491 15.134 -3.081 249 HB3 ALA 39 2HB ALA 39 -1.923 15.424 -2.092 250 H GLY 40 H GLY 40 0.315 17.100 -2.027 251 HA2 GLY 40 1HA GLY 40 2.057 18.396 -4.029 252 HA3 GLY 40 2HA GLY 40 2.141 18.696 -2.300 253 H ALA 41 H ALA 41 3.594 17.126 -4.808 254 HA ALA 41 HA ALA 41 4.323 14.632 -4.156 255 HB1 ALA 41 3HB ALA 41 5.782 16.888 -5.366 256 HB2 ALA 41 1HB ALA 41 6.773 15.546 -4.792 257 HB3 ALA 41 2HB ALA 41 5.498 15.258 -5.976 258 H GLY 42 H GLY 42 4.434 13.966 -2.067 259 HA2 GLY 42 1HA GLY 42 6.557 15.193 -0.415 260 HA3 GLY 42 2HA GLY 42 5.022 14.671 0.265 261 H GLY 43 H GLY 43 6.641 13.499 1.677 262 HA2 GLY 43 1HA GLY 43 7.921 11.189 0.497 263 HA3 GLY 43 2HA GLY 43 7.909 11.623 2.201 264 H LEU 44 H LEU 44 7.420 9.035 0.847 265 HA LEU 44 HA LEU 44 4.743 8.513 1.961 266 HB2 LEU 44 1HB LEU 44 5.981 7.641 -0.598 267 HB3 LEU 44 2HB LEU 44 4.899 6.522 0.230 268 HG LEU 44 HG LEU 44 4.089 9.325 -0.515 269 HD11 LEU 44 1HD1 LEU 44 3.104 7.057 -2.116 270 HD12 LEU 44 2HD1 LEU 44 4.783 7.520 -2.384 271 HD13 LEU 44 3HD1 LEU 44 3.498 8.707 -2.598 272 HD21 LEU 44 3HD2 LEU 44 2.922 7.421 1.125 273 HD22 LEU 44 1HD2 LEU 44 2.058 7.263 -0.405 274 HD23 LEU 44 2HD2 LEU 44 2.127 8.826 0.410 275 H SER 45 H SER 45 4.874 7.297 3.716 276 HA SER 45 HA SER 45 7.152 5.470 4.018 277 HB2 SER 45 1HB SER 45 5.310 6.775 6.019 278 HB3 SER 45 2HB SER 45 6.376 5.440 6.458 279 HG SER 45 HG SER 45 6.965 8.038 6.184 280 H ILE 46 H ILE 46 6.826 3.378 3.711 281 HA ILE 46 HA ILE 46 4.117 2.297 4.139 282 HB ILE 46 HB ILE 46 6.141 1.299 2.133 283 HG12 ILE 46 1HG1 ILE 46 3.535 2.629 1.452 284 HG13 ILE 46 2HG1 ILE 46 4.979 3.592 1.742 285 HG21 ILE 46 1HG2 ILE 46 3.240 0.559 2.476 286 HG22 ILE 46 2HG2 ILE 46 4.391 -0.146 1.343 287 HG23 ILE 46 3HG2 ILE 46 4.593 -0.398 3.077 288 HD11 ILE 46 3HD1 ILE 46 4.886 1.366 -0.267 289 HD12 ILE 46 1HD1 ILE 46 4.473 3.035 -0.657 290 HD13 ILE 46 2HD1 ILE 46 6.098 2.636 -0.099 291 H ALA 47 H ALA 47 3.934 0.660 5.533 292 HA ALA 47 HA ALA 47 6.332 -0.894 6.223 293 HB1 ALA 47 3HB ALA 47 4.403 0.330 8.190 294 HB2 ALA 47 1HB ALA 47 5.666 -0.832 8.602 295 HB3 ALA 47 2HB ALA 47 6.100 0.756 7.966 296 H VAL 48 H VAL 48 5.920 -2.937 5.721 297 HA VAL 48 HA VAL 48 3.175 -3.930 5.775 298 HB VAL 48 HB VAL 48 5.691 -5.257 4.757 299 HG11 VAL 48 1HG1 VAL 48 3.875 -6.664 3.546 300 HG12 VAL 48 2HG1 VAL 48 4.280 -7.031 5.224 301 HG13 VAL 48 3HG1 VAL 48 2.825 -6.105 4.848 302 HG21 VAL 48 3HG2 VAL 48 3.916 -4.740 2.657 303 HG22 VAL 48 1HG2 VAL 48 3.965 -3.259 3.615 304 HG23 VAL 48 2HG2 VAL 48 5.458 -3.945 2.975 305 H GLU 49 H GLU 49 2.492 -4.704 7.663 306 HA GLU 49 HA GLU 49 4.342 -6.379 9.230 307 HB2 GLU 49 1HB GLU 49 2.142 -4.550 10.202 308 HB3 GLU 49 2HB GLU 49 2.995 -5.694 11.229 309 HG2 GLU 49 1HG GLU 49 5.085 -4.542 10.833 310 HG3 GLU 49 2HG GLU 49 4.286 -3.434 9.718 311 H GLY 50 H GLY 50 3.682 -8.379 9.804 312 HA2 GLY 50 1HA GLY 50 0.881 -9.107 9.761 313 HA3 GLY 50 2HA GLY 50 1.835 -9.828 8.473 314 HA PRO 51 HA PRO 51 2.000 -12.730 12.048 315 HB2 PRO 51 1HB PRO 51 1.779 -14.965 10.523 316 HB3 PRO 51 2HB PRO 51 0.380 -14.047 11.092 317 HG2 PRO 51 1HG PRO 51 1.726 -13.989 8.418 318 HG3 PRO 51 2HG PRO 51 -0.007 -13.998 8.798 319 HD2 PRO 51 1HD PRO 51 1.326 -11.738 8.130 320 HD3 PRO 51 2HD PRO 51 -0.047 -11.740 9.255 321 H SER 52 H SER 52 3.745 -12.429 9.052 322 HA SER 52 HA SER 52 6.106 -13.595 10.353 323 HB2 SER 52 1HB SER 52 4.877 -15.091 8.567 324 HB3 SER 52 2HB SER 52 5.694 -14.031 7.418 325 HG SER 52 HG SER 52 6.961 -15.860 7.913 326 H LYS 53 H LYS 53 8.146 -13.008 9.144 327 HA LYS 53 HA LYS 53 8.237 -10.179 8.820 328 HB2 LYS 53 1HB LYS 53 10.110 -11.453 9.773 329 HB3 LYS 53 2HB LYS 53 10.343 -12.269 8.233 330 HG2 LYS 53 1HG LYS 53 10.661 -9.896 7.276 331 HG3 LYS 53 2HG LYS 53 10.901 -9.422 8.960 332 HD2 LYS 53 1HD LYS 53 12.410 -11.771 7.935 333 HD3 LYS 53 2HD LYS 53 12.923 -10.164 7.419 334 HE2 LYS 53 1HE LYS 53 14.185 -10.512 9.331 335 HE3 LYS 53 2HE LYS 53 12.816 -9.581 9.936 336 HZ1 LYS 53 3HZ LYS 53 12.397 -11.217 11.344 337 HZ2 LYS 53 1HZ LYS 53 13.675 -12.135 10.724 338 HZ3 LYS 53 2HZ LYS 53 12.127 -12.280 10.057 339 H ALA 54 H ALA 54 7.872 -9.025 7.049 340 HA ALA 54 HA ALA 54 7.895 -10.402 4.448 341 HB1 ALA 54 3HB ALA 54 5.923 -9.458 4.081 342 HB2 ALA 54 1HB ALA 54 5.991 -8.692 5.668 343 HB3 ALA 54 2HB ALA 54 6.645 -7.858 4.258 344 H GLU 55 H GLU 55 9.155 -9.685 2.809 345 HA GLU 55 HA GLU 55 11.281 -7.868 3.447 346 HB2 GLU 55 1HB GLU 55 11.292 -9.983 1.902 347 HB3 GLU 55 2HB GLU 55 10.740 -8.857 0.671 348 HG2 GLU 55 1HG GLU 55 13.259 -8.542 2.285 349 HG3 GLU 55 2HG GLU 55 13.177 -9.203 0.652 350 H ILE 56 H ILE 56 11.752 -5.890 2.455 351 HA ILE 56 HA ILE 56 9.684 -4.673 0.790 352 HB ILE 56 HB ILE 56 10.663 -3.458 3.375 353 HG12 ILE 56 1HG1 ILE 56 7.806 -3.957 2.580 354 HG13 ILE 56 2HG1 ILE 56 8.771 -5.227 3.325 355 HG21 ILE 56 1HG2 ILE 56 10.125 -1.435 2.626 356 HG22 ILE 56 2HG2 ILE 56 9.994 -2.138 1.016 357 HG23 ILE 56 3HG2 ILE 56 8.564 -2.003 2.038 358 HD11 ILE 56 3HD1 ILE 56 9.235 -3.293 5.084 359 HD12 ILE 56 1HD1 ILE 56 7.667 -2.748 4.490 360 HD13 ILE 56 2HD1 ILE 56 7.834 -4.359 5.188 361 H THR 57 H THR 57 10.513 -3.446 -0.785 362 HA THR 57 HA THR 57 13.301 -2.532 -0.522 363 HB THR 57 HB THR 57 12.020 -3.625 -3.034 364 HG1 THR 57 1HG THR 57 13.445 -5.356 -2.723 365 HG21 THR 57 3HG2 THR 57 13.539 -2.167 -3.917 366 HG22 THR 57 1HG2 THR 57 14.613 -3.536 -3.627 367 HG23 THR 57 2HG2 THR 57 14.565 -2.195 -2.482 368 H PHE 58 H PHE 58 13.237 -0.386 -0.390 369 HA PHE 58 HA PHE 58 11.415 1.066 -2.195 370 HB2 PHE 58 1HB PHE 58 10.991 1.219 0.332 371 HB3 PHE 58 2HB PHE 58 12.470 2.173 0.401 372 HD1 PHE 58 2HD PHE 58 12.576 4.380 -0.626 373 HD2 PHE 58 1HD PHE 58 8.979 2.104 -0.619 374 HE1 PHE 58 2HE PHE 58 11.300 6.401 -1.209 375 HE2 PHE 58 1HE PHE 58 7.697 4.122 -1.204 376 HZ PHE 58 HZ PHE 58 8.857 6.275 -1.499 377 H ASP 59 H ASP 59 12.393 2.198 -3.724 378 HA ASP 59 HA ASP 59 15.250 2.738 -3.507 379 HB2 ASP 59 1HB ASP 59 13.393 3.181 -5.854 380 HB3 ASP 59 2HB ASP 59 15.153 3.252 -5.883 381 H ASP 60 H ASP 60 15.961 4.620 -2.785 382 HA ASP 60 HA ASP 60 14.157 6.919 -2.741 383 HB2 ASP 60 1HB ASP 60 15.875 7.926 -1.244 384 HB3 ASP 60 2HB ASP 60 15.229 6.405 -0.637 385 H HIS 61 H HIS 61 14.664 8.909 -3.646 386 HA HIS 61 HA HIS 61 15.330 10.167 -5.448 387 HB2 HIS 61 1HB HIS 61 17.147 10.304 -3.542 388 HB3 HIS 61 2HB HIS 61 18.152 9.480 -4.731 389 HD1 HIS 61 1HD HIS 61 16.078 12.646 -4.425 390 HD2 HIS 61 2HD HIS 61 19.314 11.133 -6.549 391 HE1 HIS 61 1HE HIS 61 16.970 14.580 -5.761 392 H LYS 62 H LYS 62 14.742 7.542 -6.238 393 HA LYS 62 HA LYS 62 16.683 7.182 -8.424 394 HB2 LYS 62 1HB LYS 62 15.510 5.182 -6.560 395 HB3 LYS 62 2HB LYS 62 15.716 4.698 -8.239 396 HG2 LYS 62 1HG LYS 62 18.086 5.191 -8.120 397 HG3 LYS 62 2HG LYS 62 17.901 5.761 -6.459 398 HD2 LYS 62 1HD LYS 62 17.527 3.625 -5.634 399 HD3 LYS 62 2HD LYS 62 17.033 2.996 -7.207 400 HE2 LYS 62 1HE LYS 62 19.334 3.172 -8.005 401 HE3 LYS 62 2HE LYS 62 19.833 3.826 -6.444 402 HZ1 LYS 62 3HZ LYS 62 19.153 1.084 -7.180 403 HZ2 LYS 62 1HZ LYS 62 18.711 1.593 -5.629 404 HZ3 LYS 62 2HZ LYS 62 20.331 1.657 -6.109 405 H ASN 63 H ASN 63 15.727 7.807 -10.243 406 HA ASN 63 HA ASN 63 12.846 7.357 -10.571 407 HB2 ASN 63 1HB ASN 63 13.927 9.670 -10.881 408 HB3 ASN 63 2HB ASN 63 14.577 9.026 -12.386 409 HD21 ASN 63 1HD2 ASN 63 13.389 10.540 -13.570 410 HD22 ASN 63 2HD2 ASN 63 11.688 10.366 -13.818 411 H GLY 64 H GLY 64 15.112 5.376 -10.937 412 HA2 GLY 64 1HA GLY 64 14.384 4.579 -13.687 413 HA3 GLY 64 2HA GLY 64 16.026 4.415 -13.083 414 H SER 65 H SER 65 15.431 3.481 -10.490 415 HA SER 65 HA SER 65 15.077 0.714 -11.044 416 HB2 SER 65 1HB SER 65 15.321 0.405 -8.623 417 HB3 SER 65 2HB SER 65 16.543 1.521 -9.233 418 HG SER 65 HG SER 65 14.087 2.380 -8.114 419 H CYS 66 H CYS 66 13.519 -0.648 -9.750 420 HA CYS 66 HA CYS 66 10.893 -0.050 -10.466 421 HB2 CYS 66 1HB CYS 66 10.246 -1.986 -9.182 422 HB3 CYS 66 2HB CYS 66 11.776 -2.331 -9.977 423 HG CYS 66 HG CYS 66 12.337 -1.083 -6.980 424 H GLY 67 H GLY 67 9.074 -0.208 -8.670 425 HA2 GLY 67 1HA GLY 67 9.495 2.145 -6.985 426 HA3 GLY 67 2HA GLY 67 7.946 1.422 -7.390 427 H VAL 68 H VAL 68 6.959 0.542 -5.712 428 HA VAL 68 HA VAL 68 8.554 -0.355 -3.427 429 HB VAL 68 HB VAL 68 5.576 0.101 -3.655 430 HG11 VAL 68 1HG1 VAL 68 7.188 -1.250 -1.665 431 HG12 VAL 68 2HG1 VAL 68 6.295 0.108 -0.979 432 HG13 VAL 68 3HG1 VAL 68 5.435 -1.174 -1.833 433 HG21 VAL 68 3HG2 VAL 68 7.120 1.768 -1.823 434 HG22 VAL 68 1HG2 VAL 68 7.564 1.983 -3.516 435 HG23 VAL 68 2HG2 VAL 68 5.892 2.220 -3.007 436 H SER 69 H SER 69 8.964 -2.439 -3.155 437 HA SER 69 HA SER 69 7.035 -4.410 -4.181 438 HB2 SER 69 1HB SER 69 8.913 -5.864 -4.837 439 HB3 SER 69 2HB SER 69 8.957 -4.330 -5.703 440 HG SER 69 HG SER 69 10.736 -3.781 -4.676 441 H TYR 70 H TYR 70 6.611 -6.130 -2.880 442 HA TYR 70 HA TYR 70 8.252 -6.569 -0.507 443 HB2 TYR 70 1HB TYR 70 6.520 -6.305 1.052 444 HB3 TYR 70 2HB TYR 70 6.321 -4.931 -0.029 445 HD1 TYR 70 1HD TYR 70 4.940 -8.184 0.984 446 HD2 TYR 70 2HD TYR 70 4.391 -4.740 -1.455 447 HE1 TYR 70 1HE TYR 70 2.609 -8.852 0.575 448 HE2 TYR 70 2HE TYR 70 2.058 -5.399 -1.869 449 HH TYR 70 HH TYR 70 0.387 -6.774 -1.202 450 H ILE 71 H ILE 71 8.224 -8.656 0.246 451 HA ILE 71 HA ILE 71 6.467 -10.555 -1.160 452 HB ILE 71 HB ILE 71 9.430 -10.757 -0.702 453 HG12 ILE 71 1HG1 ILE 71 7.796 -11.417 -3.153 454 HG13 ILE 71 2HG1 ILE 71 8.418 -9.802 -2.834 455 HG21 ILE 71 1HG2 ILE 71 7.463 -12.988 -1.141 456 HG22 ILE 71 2HG2 ILE 71 9.182 -13.141 -1.500 457 HG23 ILE 71 3HG2 ILE 71 8.651 -12.820 0.150 458 HD11 ILE 71 3HD1 ILE 71 10.346 -10.362 -3.746 459 HD12 ILE 71 1HD1 ILE 71 10.556 -11.645 -2.556 460 HD13 ILE 71 2HD1 ILE 71 9.719 -11.977 -4.073 461 H ALA 72 H ALA 72 5.240 -11.645 0.212 462 HA ALA 72 HA ALA 72 5.953 -11.750 3.032 463 HB1 ALA 72 3HB ALA 72 3.636 -11.159 2.126 464 HB2 ALA 72 1HB ALA 72 3.454 -12.887 1.822 465 HB3 ALA 72 2HB ALA 72 3.722 -12.304 3.465 466 H GLN 73 H GLN 73 7.358 -13.322 3.532 467 HA GLN 73 HA GLN 73 7.837 -15.678 2.179 468 HB2 GLN 73 1HB GLN 73 8.177 -14.969 5.087 469 HB3 GLN 73 2HB GLN 73 8.699 -16.516 4.434 470 HG2 GLN 73 1HG GLN 73 9.622 -13.919 3.257 471 HG3 GLN 73 2HG GLN 73 10.430 -14.654 4.641 472 HE21 GLN 73 1HE2 GLN 73 9.614 -15.038 1.265 473 HE22 GLN 73 2HE2 GLN 73 10.816 -16.226 0.908 474 H GLU 74 H GLU 74 5.666 -15.164 4.948 475 HA GLU 74 HA GLU 74 4.435 -17.774 4.358 476 HB2 GLU 74 1HB GLU 74 4.539 -16.225 6.951 477 HB3 GLU 74 2HB GLU 74 3.613 -17.700 6.713 478 HG2 GLU 74 1HG GLU 74 6.550 -17.652 6.170 479 HG3 GLU 74 2HG GLU 74 5.941 -17.829 7.815 480 HA PRO 75 HA PRO 75 0.725 -15.721 3.196 481 HB2 PRO 75 1HB PRO 75 -1.062 -17.698 3.713 482 HB3 PRO 75 2HB PRO 75 0.048 -17.741 2.338 483 HG2 PRO 75 1HG PRO 75 0.274 -19.095 4.998 484 HG3 PRO 75 2HG PRO 75 0.619 -19.739 3.383 485 HD2 PRO 75 1HD PRO 75 2.567 -18.876 5.051 486 HD3 PRO 75 2HD PRO 75 2.691 -18.736 3.286 487 H GLY 76 H GLY 76 -1.137 -14.734 4.050 488 HA2 GLY 76 1HA GLY 76 -2.548 -15.082 6.290 489 HA3 GLY 76 2HA GLY 76 -1.064 -14.400 6.938 490 H ASN 77 H ASN 77 -2.849 -12.823 7.639 491 HA ASN 77 HA ASN 77 -3.574 -10.923 5.552 492 HB2 ASN 77 1HB ASN 77 -5.006 -9.897 7.207 493 HB3 ASN 77 2HB ASN 77 -5.253 -11.640 7.250 494 HD21 ASN 77 1HD2 ASN 77 -5.663 -9.509 9.273 495 HD22 ASN 77 2HD2 ASN 77 -4.784 -10.036 10.664 496 H TYR 78 H TYR 78 -1.753 -9.796 5.025 497 HA TYR 78 HA TYR 78 -0.106 -8.640 7.126 498 HB2 TYR 78 1HB TYR 78 0.133 -8.775 4.128 499 HB3 TYR 78 2HB TYR 78 1.184 -7.741 5.090 500 HD1 TYR 78 2HD TYR 78 0.107 -11.274 4.664 501 HD2 TYR 78 1HD TYR 78 3.100 -8.619 6.111 502 HE1 TYR 78 2HE TYR 78 1.593 -13.188 5.083 503 HE2 TYR 78 1HE TYR 78 4.596 -10.526 6.534 504 HH TYR 78 HH TYR 78 4.203 -13.491 5.241 505 H GLU 79 H GLU 79 -0.477 -6.693 7.934 506 HA GLU 79 HA GLU 79 -2.249 -4.865 6.490 507 HB2 GLU 79 1HB GLU 79 -2.439 -5.592 9.019 508 HB3 GLU 79 2HB GLU 79 -1.249 -4.320 9.254 509 HG2 GLU 79 1HG GLU 79 -2.942 -2.908 7.835 510 HG3 GLU 79 2HG GLU 79 -4.088 -4.127 8.390 511 H VAL 80 H VAL 80 -1.159 -3.618 5.098 512 HA VAL 80 HA VAL 80 1.497 -2.630 5.755 513 HB VAL 80 HB VAL 80 -0.152 -2.143 3.271 514 HG11 VAL 80 1HG1 VAL 80 1.419 -0.505 3.113 515 HG12 VAL 80 2HG1 VAL 80 2.577 -1.363 4.132 516 HG13 VAL 80 3HG1 VAL 80 2.357 -1.842 2.448 517 HG21 VAL 80 3HG2 VAL 80 2.117 -3.884 2.928 518 HG22 VAL 80 1HG2 VAL 80 1.013 -4.529 4.142 519 HG23 VAL 80 2HG2 VAL 80 0.423 -4.158 2.522 520 H SER 81 H SER 81 1.691 -0.850 6.932 521 HA SER 81 HA SER 81 -0.450 1.113 7.009 522 HB2 SER 81 1HB SER 81 2.050 0.657 8.611 523 HB3 SER 81 2HB SER 81 1.200 2.199 8.706 524 HG SER 81 HG SER 81 -0.355 1.279 9.798 525 H ILE 82 H ILE 82 -0.503 2.761 5.648 526 HA ILE 82 HA ILE 82 2.031 3.726 4.497 527 HB ILE 82 HB ILE 82 -0.774 3.920 3.395 528 HG12 ILE 82 1HG1 ILE 82 1.614 2.523 2.196 529 HG13 ILE 82 2HG1 ILE 82 0.490 1.704 3.275 530 HG21 ILE 82 1HG2 ILE 82 0.722 4.717 1.349 531 HG22 ILE 82 2HG2 ILE 82 0.087 5.845 2.546 532 HG23 ILE 82 3HG2 ILE 82 1.754 5.282 2.663 533 HD11 ILE 82 3HD1 ILE 82 -1.056 2.988 1.305 534 HD12 ILE 82 1HD1 ILE 82 0.274 2.178 0.478 535 HD13 ILE 82 2HD1 ILE 82 -0.796 1.260 1.538 536 H LYS 83 H LYS 83 2.487 5.910 4.458 537 HA LYS 83 HA LYS 83 0.593 7.738 5.741 538 HB2 LYS 83 1HB LYS 83 3.338 7.046 6.703 539 HB3 LYS 83 2HB LYS 83 2.760 8.695 6.906 540 HG2 LYS 83 1HG LYS 83 0.655 7.439 7.908 541 HG3 LYS 83 2HG LYS 83 1.865 6.191 8.215 542 HD2 LYS 83 1HD LYS 83 2.411 9.032 8.975 543 HD3 LYS 83 2HD LYS 83 1.410 8.015 10.014 544 HE2 LYS 83 1HE LYS 83 3.190 6.431 10.277 545 HE3 LYS 83 2HE LYS 83 4.172 7.260 9.071 546 HZ1 LYS 83 3HZ LYS 83 3.687 9.220 10.840 547 HZ2 LYS 83 1HZ LYS 83 5.075 8.251 10.843 548 HZ3 LYS 83 2HZ LYS 83 3.778 7.875 11.863 549 H PHE 84 H PHE 84 0.358 9.495 4.537 550 HA PHE 84 HA PHE 84 2.461 10.170 2.604 551 HB2 PHE 84 1HB PHE 84 0.384 9.843 1.502 552 HB3 PHE 84 2HB PHE 84 -0.489 10.785 2.706 553 HD1 PHE 84 2HD PHE 84 1.816 10.967 -0.154 554 HD2 PHE 84 1HD PHE 84 -0.624 13.154 2.562 555 HE1 PHE 84 2HE PHE 84 2.054 12.972 -1.560 556 HE2 PHE 84 1HE PHE 84 -0.391 15.162 1.160 557 HZ PHE 84 HZ PHE 84 0.950 15.074 -0.903 558 H ASN 85 H ASN 85 3.875 11.476 3.647 559 HA ASN 85 HA ASN 85 4.720 13.419 4.484 560 HB2 ASN 85 1HB ASN 85 1.941 14.578 4.231 561 HB3 ASN 85 2HB ASN 85 3.465 15.457 4.303 562 HD21 ASN 85 1HD2 ASN 85 3.383 16.478 2.383 563 HD22 ASN 85 2HD2 ASN 85 3.359 15.674 0.853 564 H ASP 86 H ASP 86 3.970 11.437 6.249 565 HA ASP 86 HA ASP 86 3.737 11.090 8.486 566 HB2 ASP 86 1HB ASP 86 3.561 14.093 8.776 567 HB3 ASP 86 2HB ASP 86 4.014 12.924 10.013 568 H GLU 87 H GLU 87 1.463 11.065 6.794 569 HA GLU 87 HA GLU 87 -0.606 11.613 8.790 570 HB2 GLU 87 1HB GLU 87 -0.448 12.753 6.044 571 HB3 GLU 87 2HB GLU 87 -2.028 12.258 6.631 572 HG2 GLU 87 1HG GLU 87 -1.739 13.712 8.587 573 HG3 GLU 87 2HG GLU 87 -0.182 14.236 7.950 574 H HIS 88 H HIS 88 -2.176 10.088 8.899 575 HA HIS 88 HA HIS 88 -1.792 7.700 7.286 576 HB2 HIS 88 1HB HIS 88 -3.104 8.340 9.867 577 HB3 HIS 88 2HB HIS 88 -3.815 7.027 8.932 578 HD2 HIS 88 2HD HIS 88 -0.506 7.837 10.853 579 HE1 HIS 88 1HE HIS 88 -0.537 3.710 9.866 580 HE2 HIS 88 2HE HIS 88 0.599 5.523 11.196 581 H ILE 89 H ILE 89 -2.621 8.246 5.277 582 HA ILE 89 HA ILE 89 -4.879 9.613 4.609 583 HB ILE 89 HB ILE 89 -5.080 7.947 2.653 584 HG12 ILE 89 1HG1 ILE 89 -2.471 7.009 3.863 585 HG13 ILE 89 2HG1 ILE 89 -3.960 6.074 3.819 586 HG21 ILE 89 1HG2 ILE 89 -4.021 10.076 2.383 587 HG22 ILE 89 2HG2 ILE 89 -2.560 9.508 3.190 588 HG23 ILE 89 3HG2 ILE 89 -3.005 8.857 1.613 589 HD11 ILE 89 3HD1 ILE 89 -3.574 6.770 1.187 590 HD12 ILE 89 1HD1 ILE 89 -1.941 6.462 1.777 591 HD13 ILE 89 2HD1 ILE 89 -3.182 5.217 1.925 592 HA PRO 90 HA PRO 90 -8.437 7.422 5.950 593 HB2 PRO 90 1HB PRO 90 -10.164 7.868 3.902 594 HB3 PRO 90 2HB PRO 90 -9.691 9.125 5.052 595 HG2 PRO 90 1HG PRO 90 -8.663 8.600 2.290 596 HG3 PRO 90 2HG PRO 90 -9.071 10.146 3.055 597 HD2 PRO 90 1HD PRO 90 -6.522 9.261 2.828 598 HD3 PRO 90 2HD PRO 90 -7.070 10.253 4.194 599 H GLU 91 H GLU 91 -6.514 6.275 3.555 600 HA GLU 91 HA GLU 91 -8.260 3.965 3.016 601 HB2 GLU 91 1HB GLU 91 -6.035 5.181 1.388 602 HB3 GLU 91 2HB GLU 91 -6.674 3.577 1.062 603 HG2 GLU 91 1HG GLU 91 -8.396 6.035 1.133 604 HG3 GLU 91 2HG GLU 91 -7.605 5.453 -0.331 605 H SER 92 H SER 92 -5.504 5.005 4.648 606 HA SER 92 HA SER 92 -4.459 2.256 4.827 607 HB2 SER 92 1HB SER 92 -2.314 3.069 5.022 608 HB3 SER 92 2HB SER 92 -3.018 4.344 4.027 609 HG SER 92 HG SER 92 -1.826 4.693 6.275 610 HA PRO 93 HA PRO 93 -2.631 1.531 6.203 611 HB2 PRO 93 1HB PRO 93 -2.909 -0.746 7.655 612 HB3 PRO 93 2HB PRO 93 -1.974 0.644 8.219 613 HG2 PRO 93 1HG PRO 93 -4.768 -0.169 8.919 614 HG3 PRO 93 2HG PRO 93 -3.477 0.426 9.979 615 HD2 PRO 93 1HD PRO 93 -5.489 2.012 9.101 616 HD3 PRO 93 2HD PRO 93 -3.852 2.627 9.409 617 H TYR 94 H TYR 94 -2.655 -0.660 5.142 618 HA TYR 94 HA TYR 94 -5.353 -1.230 4.109 619 HB2 TYR 94 1HB TYR 94 -2.664 -1.547 2.762 620 HB3 TYR 94 2HB TYR 94 -4.199 -2.058 2.065 621 HD1 TYR 94 2HD TYR 94 -2.420 0.947 3.358 622 HD2 TYR 94 1HD TYR 94 -5.459 -0.564 0.792 623 HE1 TYR 94 2HE TYR 94 -2.731 3.196 2.412 624 HE2 TYR 94 1HE TYR 94 -5.778 1.681 -0.162 625 HH TYR 94 HH TYR 94 -4.902 3.761 -0.307 626 H LEU 95 H LEU 95 -5.954 -3.390 3.733 627 HA LEU 95 HA LEU 95 -4.354 -5.359 5.233 628 HB2 LEU 95 1HB LEU 95 -6.631 -4.719 6.130 629 HB3 LEU 95 2HB LEU 95 -7.313 -5.502 4.707 630 HG LEU 95 HG LEU 95 -6.360 -7.638 5.423 631 HD11 LEU 95 1HD1 LEU 95 -5.364 -7.844 7.656 632 HD12 LEU 95 2HD1 LEU 95 -5.408 -6.090 7.828 633 HD13 LEU 95 3HD1 LEU 95 -4.395 -6.828 6.588 634 HD21 LEU 95 3HD2 LEU 95 -8.607 -7.117 6.127 635 HD22 LEU 95 1HD2 LEU 95 -7.999 -6.219 7.518 636 HD23 LEU 95 2HD2 LEU 95 -7.769 -7.965 7.428 637 H VAL 96 H VAL 96 -3.283 -6.632 3.874 638 HA VAL 96 HA VAL 96 -4.624 -7.492 1.395 639 HB VAL 96 HB VAL 96 -1.684 -7.821 1.738 640 HG11 VAL 96 1HG1 VAL 96 -3.441 -8.328 -0.284 641 HG12 VAL 96 2HG1 VAL 96 -2.799 -6.751 -0.749 642 HG13 VAL 96 3HG1 VAL 96 -1.703 -8.108 -0.485 643 HG21 VAL 96 3HG2 VAL 96 -1.961 -5.558 2.492 644 HG22 VAL 96 1HG2 VAL 96 -1.334 -5.525 0.845 645 HG23 VAL 96 2HG2 VAL 96 -3.040 -5.193 1.145 646 HA PRO 97 HA PRO 97 -4.651 -11.384 3.700 647 HB2 PRO 97 1HB PRO 97 -6.480 -12.572 2.084 648 HB3 PRO 97 2HB PRO 97 -6.924 -11.447 3.373 649 HG2 PRO 97 1HG PRO 97 -6.649 -10.946 0.435 650 HG3 PRO 97 2HG PRO 97 -7.905 -10.383 1.553 651 HD2 PRO 97 1HD PRO 97 -5.856 -8.806 0.751 652 HD3 PRO 97 2HD PRO 97 -6.597 -8.666 2.358 653 H VAL 98 H VAL 98 -2.483 -11.862 3.028 654 HA VAL 98 HA VAL 98 -1.934 -12.864 0.402 655 HB VAL 98 HB VAL 98 -0.299 -13.032 2.936 656 HG11 VAL 98 1HG1 VAL 98 0.234 -14.783 1.242 657 HG12 VAL 98 2HG1 VAL 98 0.611 -13.491 0.101 658 HG13 VAL 98 3HG1 VAL 98 1.562 -13.672 1.575 659 HG21 VAL 98 3HG2 VAL 98 0.953 -11.175 2.041 660 HG22 VAL 98 1HG2 VAL 98 -0.017 -11.186 0.569 661 HG23 VAL 98 2HG2 VAL 98 -0.755 -10.742 2.108 662 H ILE 99 H ILE 99 -1.833 -14.930 -0.314 663 HA ILE 99 HA ILE 99 -2.375 -17.082 1.618 664 HB ILE 99 HB ILE 99 -3.823 -18.195 -0.008 665 HG12 ILE 99 1HG1 ILE 99 -3.990 -15.713 -1.660 666 HG13 ILE 99 2HG1 ILE 99 -2.639 -16.807 -1.933 667 HG21 ILE 99 1HG2 ILE 99 -4.750 -16.640 1.697 668 HG22 ILE 99 2HG2 ILE 99 -4.753 -15.371 0.475 669 HG23 ILE 99 3HG2 ILE 99 -5.759 -16.804 0.261 670 HD11 ILE 99 3HD1 ILE 99 -4.422 -18.634 -2.140 671 HD12 ILE 99 1HD1 ILE 99 -5.564 -17.301 -2.313 672 HD13 ILE 99 2HD1 ILE 99 -4.243 -17.485 -3.467 673 H ALA 100 H ALA 100 -1.708 -19.217 0.906 674 HA ALA 100 HA ALA 100 0.778 -19.084 -0.597 675 HB1 ALA 100 3HB ALA 100 0.845 -21.570 0.137 676 HB2 ALA 100 1HB ALA 100 1.090 -20.305 1.342 677 HB3 ALA 100 2HB ALA 100 -0.475 -21.109 1.211 678 HA PRO 101 HA PRO 101 -1.526 -20.448 -4.213 679 HB2 PRO 101 1HB PRO 101 0.534 -20.082 -5.944 680 HB3 PRO 101 2HB PRO 101 -0.482 -18.755 -5.365 681 HG2 PRO 101 1HG PRO 101 2.229 -19.614 -4.429 682 HG3 PRO 101 2HG PRO 101 1.611 -17.977 -4.716 683 HD2 PRO 101 1HD PRO 101 1.783 -19.055 -2.238 684 HD3 PRO 101 2HD PRO 101 0.513 -17.899 -2.690 685 H SER 102 H SER 102 -1.827 -22.550 -4.558 686 HA SER 102 HA SER 102 0.483 -24.263 -5.079 687 HB2 SER 102 1HB SER 102 0.015 -24.571 -2.693 688 HB3 SER 102 2HB SER 102 -1.670 -24.940 -3.059 689 HG SER 102 HG SER 102 -0.506 -26.622 -4.512 690 H ASP 103 H ASP 103 0.156 -25.453 -6.834 691 HA ASP 103 HA ASP 103 -2.585 -26.227 -7.549 692 HB2 ASP 103 1HB ASP 103 -1.594 -24.157 -8.820 693 HB3 ASP 103 2HB ASP 103 -0.683 -25.379 -9.704 694 H ASP 104 H ASP 104 -2.748 -28.099 -8.867 695 HA ASP 104 HA ASP 104 -0.295 -29.733 -8.939 696 HB2 ASP 104 1HB ASP 104 -2.060 -30.384 -7.203 697 HB3 ASP 104 2HB ASP 104 -3.064 -30.865 -8.567 698 H ALA 105 H ALA 105 -0.636 -31.687 -10.470 699 HA ALA 105 HA ALA 105 -1.153 -30.623 -13.071 700 HB1 ALA 105 3HB ALA 105 0.507 -32.519 -12.218 701 HB2 ALA 105 1HB ALA 105 -0.842 -33.547 -12.704 702 HB3 ALA 105 2HB ALA 105 -0.090 -32.464 -13.876 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -21.109 10.449 0.783 2 HA2 GLY 1 1HA GLY 1 -22.698 12.507 0.670 3 HA3 GLY 1 2HA GLY 1 -21.759 12.278 2.138 4 H SER 2 H SER 2 -22.681 14.775 1.365 5 HA SER 2 HA SER 2 -20.573 16.204 0.014 6 HB2 SER 2 1HB SER 2 -23.043 17.176 1.471 7 HB3 SER 2 2HB SER 2 -21.936 18.219 0.579 8 HG SER 2 HG SER 2 -23.828 17.480 -0.610 9 H SER 3 H SER 3 -21.800 15.969 3.333 10 HA SER 3 HA SER 3 -20.048 17.828 4.495 11 HB2 SER 3 1HB SER 3 -20.719 16.936 6.604 12 HB3 SER 3 2HB SER 3 -22.122 16.803 5.543 13 HG SER 3 HG SER 3 -21.975 14.688 5.598 14 H GLY 4 H GLY 4 -18.073 17.619 5.526 15 HA2 GLY 4 1HA GLY 4 -16.549 15.647 6.354 16 HA3 GLY 4 2HA GLY 4 -16.478 15.333 4.627 17 H SER 5 H SER 5 -14.135 15.737 5.794 18 HA SER 5 HA SER 5 -13.444 18.564 5.417 19 HB2 SER 5 1HB SER 5 -12.084 16.286 6.841 20 HB3 SER 5 2HB SER 5 -11.209 17.760 6.429 21 HG SER 5 HG SER 5 -12.958 18.882 7.571 22 H SER 6 H SER 6 -13.047 18.946 3.319 23 HA SER 6 HA SER 6 -10.811 17.586 2.081 24 HB2 SER 6 1HB SER 6 -11.946 16.821 0.134 25 HB3 SER 6 2HB SER 6 -12.907 16.258 1.501 26 HG SER 6 HG SER 6 -14.507 17.393 0.774 27 H GLY 7 H GLY 7 -10.385 18.582 -0.157 28 HA2 GLY 7 1HA GLY 7 -10.631 20.499 -1.595 29 HA3 GLY 7 2HA GLY 7 -11.225 21.405 -0.211 30 H GLU 8 H GLU 8 -9.552 21.505 1.651 31 HA GLU 8 HA GLU 8 -7.495 23.126 1.041 32 HB2 GLU 8 1HB GLU 8 -7.470 20.987 3.178 33 HB3 GLU 8 2HB GLU 8 -6.355 22.344 3.109 34 HG2 GLU 8 1HG GLU 8 -8.490 23.796 3.116 35 HG3 GLU 8 2HG GLU 8 -9.279 22.337 3.712 36 H GLY 9 H GLY 9 -7.145 19.587 1.342 37 HA2 GLY 9 1HA GLY 9 -5.910 18.362 -0.349 38 HA3 GLY 9 2HA GLY 9 -4.873 19.769 -0.532 39 H GLY 10 H GLY 10 -4.442 16.835 0.217 40 HA2 GLY 10 1HA GLY 10 -2.167 17.060 1.720 41 HA3 GLY 10 2HA GLY 10 -3.450 16.899 2.910 42 H ALA 11 H ALA 11 -3.635 14.897 3.633 43 HA ALA 11 HA ALA 11 -2.536 12.657 2.253 44 HB1 ALA 11 3HB ALA 11 -2.506 11.895 4.335 45 HB2 ALA 11 1HB ALA 11 -3.537 13.221 4.872 46 HB3 ALA 11 2HB ALA 11 -4.260 11.728 4.272 47 H HIS 12 H HIS 12 -5.892 13.350 3.261 48 HA HIS 12 HA HIS 12 -7.292 11.371 2.137 49 HB2 HIS 12 1HB HIS 12 -9.138 12.923 1.743 50 HB3 HIS 12 2HB HIS 12 -8.329 13.301 3.261 51 HD1 HIS 12 1HD HIS 12 -6.994 15.520 3.372 52 HD2 HIS 12 2HD HIS 12 -8.957 14.887 -0.234 53 HE1 HIS 12 1HE HIS 12 -6.940 17.734 2.180 54 H LYS 13 H LYS 13 -5.738 13.973 0.359 55 HA LYS 13 HA LYS 13 -6.867 13.458 -2.167 56 HB2 LYS 13 1HB LYS 13 -4.270 14.734 -1.324 57 HB3 LYS 13 2HB LYS 13 -4.747 14.603 -3.012 58 HG2 LYS 13 1HG LYS 13 -6.665 15.818 -1.094 59 HG3 LYS 13 2HG LYS 13 -5.260 16.760 -1.600 60 HD2 LYS 13 1HD LYS 13 -6.802 17.362 -3.199 61 HD3 LYS 13 2HD LYS 13 -5.993 16.013 -3.998 62 HE2 LYS 13 1HE LYS 13 -7.783 14.594 -3.711 63 HE3 LYS 13 2HE LYS 13 -8.391 15.474 -2.310 64 HZ1 LYS 13 3HZ LYS 13 -9.823 15.817 -4.202 65 HZ2 LYS 13 1HZ LYS 13 -8.528 16.376 -5.136 66 HZ3 LYS 13 2HZ LYS 13 -9.061 17.273 -3.805 67 H VAL 14 H VAL 14 -3.605 12.596 -0.997 68 HA VAL 14 HA VAL 14 -2.606 11.099 -2.966 69 HB VAL 14 HB VAL 14 -2.629 10.123 -0.107 70 HG11 VAL 14 1HG1 VAL 14 -1.459 8.433 -0.977 71 HG12 VAL 14 2HG1 VAL 14 -1.285 9.247 -2.533 72 HG13 VAL 14 3HG1 VAL 14 -0.162 9.604 -1.220 73 HG21 VAL 14 3HG2 VAL 14 -0.470 11.410 0.040 74 HG22 VAL 14 1HG2 VAL 14 -0.917 12.183 -1.480 75 HG23 VAL 14 2HG2 VAL 14 -1.930 12.394 -0.053 76 H ARG 15 H ARG 15 -2.737 9.005 -3.775 77 HA ARG 15 HA ARG 15 -4.950 7.327 -2.844 78 HB2 ARG 15 1HB ARG 15 -4.610 8.473 -5.591 79 HB3 ARG 15 2HB ARG 15 -5.372 6.902 -5.391 80 HG2 ARG 15 1HG ARG 15 -6.908 8.089 -3.709 81 HG3 ARG 15 2HG ARG 15 -6.310 9.579 -4.442 82 HD2 ARG 15 1HD ARG 15 -8.220 9.140 -5.677 83 HD3 ARG 15 2HD ARG 15 -6.946 8.449 -6.680 84 HE ARG 15 HE ARG 15 -7.762 6.370 -5.127 85 HH11 ARG 15 1HH1 ARG 15 -9.375 8.602 -7.255 86 HH12 ARG 15 2HH1 ARG 15 -10.614 7.479 -7.707 87 HH21 ARG 15 1HH2 ARG 15 -9.387 4.882 -5.713 88 HH22 ARG 15 2HH2 ARG 15 -10.621 5.364 -6.828 89 H ALA 16 H ALA 16 -4.600 5.154 -3.029 90 HA ALA 16 HA ALA 16 -2.147 4.280 -4.396 91 HB1 ALA 16 3HB ALA 16 -2.738 2.788 -1.957 92 HB2 ALA 16 1HB ALA 16 -1.208 3.425 -2.557 93 HB3 ALA 16 2HB ALA 16 -2.315 4.476 -1.674 94 H GLY 17 H GLY 17 -2.633 2.802 -5.873 95 HA2 GLY 17 1HA GLY 17 -4.456 0.634 -5.222 96 HA3 GLY 17 2HA GLY 17 -4.980 1.691 -6.525 97 H GLY 18 H GLY 18 -4.065 -1.211 -6.349 98 HA2 GLY 18 1HA GLY 18 -2.872 -1.363 -8.888 99 HA3 GLY 18 2HA GLY 18 -1.605 -1.499 -7.677 100 HA PRO 19 HA PRO 19 -3.671 -5.659 -8.544 101 HB2 PRO 19 1HB PRO 19 -1.513 -6.873 -9.657 102 HB3 PRO 19 2HB PRO 19 -2.705 -5.975 -10.605 103 HG2 PRO 19 1HG PRO 19 -0.016 -5.099 -9.623 104 HG3 PRO 19 2HG PRO 19 -0.768 -4.839 -11.208 105 HD2 PRO 19 1HD PRO 19 -0.709 -2.927 -9.291 106 HD3 PRO 19 2HD PRO 19 -2.044 -3.074 -10.453 107 H GLY 20 H GLY 20 -1.102 -4.330 -6.810 108 HA2 GLY 20 1HA GLY 20 -0.420 -6.861 -5.493 109 HA3 GLY 20 2HA GLY 20 0.446 -5.341 -5.318 110 H LEU 21 H LEU 21 -2.091 -3.853 -4.915 111 HA LEU 21 HA LEU 21 -2.223 -4.174 -2.067 112 HB2 LEU 21 1HB LEU 21 -3.476 -2.331 -4.058 113 HB3 LEU 21 2HB LEU 21 -4.096 -2.396 -2.409 114 HG LEU 21 HG LEU 21 -1.290 -1.647 -3.233 115 HD11 LEU 21 1HD1 LEU 21 -3.715 -0.088 -2.447 116 HD12 LEU 21 2HD1 LEU 21 -2.561 0.209 -3.747 117 HD13 LEU 21 3HD1 LEU 21 -2.105 0.529 -2.074 118 HD21 LEU 21 3HD2 LEU 21 -0.675 -2.103 -1.153 119 HD22 LEU 21 1HD2 LEU 21 -2.311 -2.630 -0.755 120 HD23 LEU 21 2HD2 LEU 21 -1.860 -0.937 -0.562 121 H GLU 22 H GLU 22 -4.285 -4.947 -4.805 122 HA GLU 22 HA GLU 22 -6.657 -5.520 -3.462 123 HB2 GLU 22 1HB GLU 22 -5.483 -6.738 -5.962 124 HB3 GLU 22 2HB GLU 22 -7.117 -7.061 -5.400 125 HG2 GLU 22 1HG GLU 22 -6.243 -4.242 -5.802 126 HG3 GLU 22 2HG GLU 22 -6.667 -5.230 -7.198 127 H ARG 23 H ARG 23 -4.093 -7.801 -4.437 128 HA ARG 23 HA ARG 23 -4.509 -9.340 -2.021 129 HB2 ARG 23 1HB ARG 23 -6.132 -10.106 -3.943 130 HB3 ARG 23 2HB ARG 23 -4.689 -10.886 -4.576 131 HG2 ARG 23 1HG ARG 23 -4.502 -11.846 -2.153 132 HG3 ARG 23 2HG ARG 23 -6.224 -11.469 -2.092 133 HD2 ARG 23 1HD ARG 23 -6.373 -12.734 -4.321 134 HD3 ARG 23 2HD ARG 23 -4.775 -13.360 -3.916 135 HE ARG 23 HE ARG 23 -5.804 -14.807 -2.497 136 HH11 ARG 23 1HH1 ARG 23 -7.858 -12.025 -2.893 137 HH12 ARG 23 2HH1 ARG 23 -9.131 -12.660 -1.905 138 HH21 ARG 23 1HH2 ARG 23 -7.472 -15.655 -1.193 139 HH22 ARG 23 2HH2 ARG 23 -8.910 -14.726 -0.937 140 H GLY 24 H GLY 24 -2.819 -10.837 -1.596 141 HA2 GLY 24 1HA GLY 24 -0.473 -10.532 -3.366 142 HA3 GLY 24 2HA GLY 24 -0.337 -10.426 -1.617 143 H GLU 25 H GLU 25 1.285 -12.183 -2.716 144 HA GLU 25 HA GLU 25 0.082 -14.760 -1.994 145 HB2 GLU 25 1HB GLU 25 1.430 -14.039 -4.553 146 HB3 GLU 25 2HB GLU 25 1.729 -15.640 -3.889 147 HG2 GLU 25 1HG GLU 25 -0.413 -16.340 -4.228 148 HG3 GLU 25 2HG GLU 25 -1.083 -14.714 -4.098 149 H ALA 26 H ALA 26 1.370 -16.081 -0.809 150 HA ALA 26 HA ALA 26 3.651 -14.979 0.458 151 HB1 ALA 26 3HB ALA 26 2.964 -17.900 0.474 152 HB2 ALA 26 1HB ALA 26 3.723 -16.934 1.741 153 HB3 ALA 26 2HB ALA 26 2.012 -16.716 1.371 154 H GLY 27 H GLY 27 5.743 -15.047 -0.069 155 HA2 GLY 27 1HA GLY 27 7.723 -15.892 -0.966 156 HA3 GLY 27 2HA GLY 27 6.801 -17.187 -1.716 157 H VAL 28 H VAL 28 5.204 -14.417 -2.450 158 HA VAL 28 HA VAL 28 6.725 -14.053 -4.952 159 HB VAL 28 HB VAL 28 3.731 -13.889 -4.572 160 HG11 VAL 28 1HG1 VAL 28 5.019 -12.342 -6.273 161 HG12 VAL 28 2HG1 VAL 28 5.041 -13.815 -7.243 162 HG13 VAL 28 3HG1 VAL 28 3.504 -13.126 -6.717 163 HG21 VAL 28 3HG2 VAL 28 3.573 -16.001 -5.291 164 HG22 VAL 28 1HG2 VAL 28 4.789 -15.756 -6.545 165 HG23 VAL 28 2HG2 VAL 28 5.286 -16.133 -4.894 166 HA PRO 29 HA PRO 29 7.082 -9.819 -3.745 167 HB2 PRO 29 1HB PRO 29 7.816 -8.808 -6.155 168 HB3 PRO 29 2HB PRO 29 8.912 -9.747 -5.133 169 HG2 PRO 29 1HG PRO 29 7.311 -10.629 -7.505 170 HG3 PRO 29 2HG PRO 29 8.989 -11.013 -7.081 171 HD2 PRO 29 1HD PRO 29 6.943 -12.728 -6.628 172 HD3 PRO 29 2HD PRO 29 8.369 -12.642 -5.574 173 H ALA 30 H ALA 30 5.006 -9.143 -3.277 174 HA ALA 30 HA ALA 30 3.175 -8.536 -5.462 175 HB1 ALA 30 3HB ALA 30 2.330 -9.674 -3.451 176 HB2 ALA 30 1HB ALA 30 2.765 -8.261 -2.487 177 HB3 ALA 30 2HB ALA 30 1.524 -8.130 -3.735 178 H GLU 31 H GLU 31 3.692 -6.689 -6.489 179 HA GLU 31 HA GLU 31 4.310 -4.320 -4.857 180 HB2 GLU 31 1HB GLU 31 5.212 -3.372 -6.998 181 HB3 GLU 31 2HB GLU 31 6.086 -4.770 -6.387 182 HG2 GLU 31 1HG GLU 31 5.320 -6.155 -8.064 183 HG3 GLU 31 2HG GLU 31 3.918 -5.139 -8.403 184 H PHE 32 H PHE 32 3.244 -2.372 -5.235 185 HA PHE 32 HA PHE 32 0.868 -2.518 -6.966 186 HB2 PHE 32 1HB PHE 32 -0.233 -1.036 -5.163 187 HB3 PHE 32 2HB PHE 32 -0.085 -2.760 -4.839 188 HD1 PHE 32 2HD PHE 32 1.883 -3.534 -3.420 189 HD2 PHE 32 1HD PHE 32 0.654 0.533 -3.695 190 HE1 PHE 32 2HE PHE 32 3.071 -3.036 -1.323 191 HE2 PHE 32 1HE PHE 32 1.841 1.037 -1.600 192 HZ PHE 32 HZ PHE 32 3.051 -0.749 -0.411 193 H SER 33 H SER 33 -0.033 -0.346 -7.485 194 HA SER 33 HA SER 33 2.166 1.477 -8.089 195 HB2 SER 33 1HB SER 33 -0.632 1.165 -9.159 196 HB3 SER 33 2HB SER 33 0.326 2.605 -9.503 197 HG SER 33 HG SER 33 0.433 0.238 -10.698 198 H ILE 34 H ILE 34 2.158 3.659 -7.552 199 HA ILE 34 HA ILE 34 0.071 4.571 -5.699 200 HB ILE 34 HB ILE 34 3.030 4.918 -5.203 201 HG12 ILE 34 1HG1 ILE 34 1.101 3.363 -3.493 202 HG13 ILE 34 2HG1 ILE 34 1.970 2.601 -4.820 203 HG21 ILE 34 1HG2 ILE 34 0.605 5.802 -3.650 204 HG22 ILE 34 2HG2 ILE 34 2.250 5.832 -3.018 205 HG23 ILE 34 3HG2 ILE 34 1.822 6.826 -4.409 206 HD11 ILE 34 3HD1 ILE 34 4.089 3.441 -3.723 207 HD12 ILE 34 1HD1 ILE 34 3.090 3.812 -2.319 208 HD13 ILE 34 2HD1 ILE 34 3.221 2.150 -2.893 209 H TRP 35 H TRP 35 -0.801 6.303 -6.612 210 HA TRP 35 HA TRP 35 0.992 8.279 -7.860 211 HB2 TRP 35 1HB TRP 35 -0.497 6.907 -9.449 212 HB3 TRP 35 2HB TRP 35 -1.841 7.825 -8.775 213 HD1 TRP 35 HD TRP 35 1.642 9.210 -9.750 214 HE1 TRP 35 1HE TRP 35 1.298 11.058 -11.509 215 HE3 TRP 35 3HE TRP 35 -3.415 8.800 -10.380 216 HZ2 TRP 35 2HZ TRP 35 -0.835 12.192 -12.968 217 HZ3 TRP 35 3HZ TRP 35 -4.530 10.306 -11.976 218 HH2 TRP 35 HH TRP 35 -3.265 11.966 -13.242 219 H THR 36 H THR 36 0.994 10.115 -6.761 220 HA THR 36 HA THR 36 -1.222 10.749 -4.979 221 HB THR 36 HB THR 36 0.220 12.534 -4.112 222 HG1 THR 36 1HG THR 36 1.727 11.848 -6.368 223 HG21 THR 36 3HG2 THR 36 0.651 9.781 -3.881 224 HG22 THR 36 1HG2 THR 36 1.199 11.039 -2.775 225 HG23 THR 36 2HG2 THR 36 2.255 10.486 -4.075 226 H ARG 37 H ARG 37 -2.893 11.586 -6.118 227 HA ARG 37 HA ARG 37 -2.613 13.313 -8.346 228 HB2 ARG 37 1HB ARG 37 -4.621 11.878 -7.779 229 HB3 ARG 37 2HB ARG 37 -5.038 13.081 -6.566 230 HG2 ARG 37 1HG ARG 37 -5.529 14.700 -8.156 231 HG3 ARG 37 2HG ARG 37 -4.617 13.871 -9.420 232 HD2 ARG 37 1HD ARG 37 -7.001 13.638 -9.807 233 HD3 ARG 37 2HD ARG 37 -6.287 12.073 -9.424 234 HE ARG 37 HE ARG 37 -7.249 13.221 -7.058 235 HH11 ARG 37 1HH1 ARG 37 -8.437 11.891 -10.047 236 HH12 ARG 37 2HH1 ARG 37 -9.938 11.360 -9.366 237 HH21 ARG 37 1HH2 ARG 37 -9.221 12.526 -6.148 238 HH22 ARG 37 2HH2 ARG 37 -10.384 11.723 -7.148 239 H GLU 38 H GLU 38 -1.312 15.055 -7.832 240 HA GLU 38 HA GLU 38 -0.637 16.987 -6.773 241 HB2 GLU 38 1HB GLU 38 -3.569 17.435 -7.330 242 HB3 GLU 38 2HB GLU 38 -2.483 18.716 -6.814 243 HG2 GLU 38 1HG GLU 38 -1.103 18.336 -8.802 244 HG3 GLU 38 2HG GLU 38 -2.218 17.076 -9.324 245 H ALA 39 H ALA 39 -1.064 15.026 -4.858 246 HA ALA 39 HA ALA 39 -2.742 16.034 -2.751 247 HB1 ALA 39 3HB ALA 39 -2.149 13.589 -3.204 248 HB2 ALA 39 1HB ALA 39 -0.611 13.946 -2.416 249 HB3 ALA 39 2HB ALA 39 -2.124 14.136 -1.527 250 H GLY 40 H GLY 40 0.787 15.621 -3.123 251 HA2 GLY 40 1HA GLY 40 1.481 18.124 -2.097 252 HA3 GLY 40 2HA GLY 40 1.459 16.998 -0.748 253 H ALA 41 H ALA 41 3.787 18.236 -1.345 254 HA ALA 41 HA ALA 41 5.365 16.282 -2.872 255 HB1 ALA 41 3HB ALA 41 6.973 17.933 -3.232 256 HB2 ALA 41 1HB ALA 41 5.441 18.796 -3.370 257 HB3 ALA 41 2HB ALA 41 6.395 18.923 -1.892 258 H GLY 42 H GLY 42 4.392 15.715 -0.205 259 HA2 GLY 42 1HA GLY 42 6.675 16.016 1.563 260 HA3 GLY 42 2HA GLY 42 5.150 15.234 1.949 261 H GLY 43 H GLY 43 6.735 13.699 2.969 262 HA2 GLY 43 1HA GLY 43 8.129 11.954 1.102 263 HA3 GLY 43 2HA GLY 43 8.174 11.853 2.856 264 H LEU 44 H LEU 44 7.954 9.510 2.235 265 HA LEU 44 HA LEU 44 5.158 8.770 2.487 266 HB2 LEU 44 1HB LEU 44 6.862 8.113 0.134 267 HB3 LEU 44 2HB LEU 44 5.697 6.919 0.701 268 HG LEU 44 HG LEU 44 4.939 9.734 -0.059 269 HD11 LEU 44 1HD1 LEU 44 5.986 8.393 -1.934 270 HD12 LEU 44 2HD1 LEU 44 4.350 8.986 -2.213 271 HD13 LEU 44 3HD1 LEU 44 4.613 7.295 -1.786 272 HD21 LEU 44 3HD2 LEU 44 3.399 8.506 1.428 273 HD22 LEU 44 1HD2 LEU 44 3.297 7.220 0.225 274 HD23 LEU 44 2HD2 LEU 44 2.698 8.835 -0.157 275 H SER 45 H SER 45 5.181 7.568 4.264 276 HA SER 45 HA SER 45 7.464 5.790 4.758 277 HB2 SER 45 1HB SER 45 5.491 7.179 6.515 278 HB3 SER 45 2HB SER 45 6.167 5.649 7.074 279 HG SER 45 HG SER 45 7.497 7.290 7.781 280 H ILE 46 H ILE 46 7.262 3.656 4.587 281 HA ILE 46 HA ILE 46 4.556 2.493 4.600 282 HB ILE 46 HB ILE 46 6.822 1.784 2.738 283 HG12 ILE 46 1HG1 ILE 46 4.033 2.626 1.986 284 HG13 ILE 46 2HG1 ILE 46 5.292 3.816 2.294 285 HG21 ILE 46 1HG2 ILE 46 5.931 -0.291 3.091 286 HG22 ILE 46 2HG2 ILE 46 4.333 0.341 3.482 287 HG23 ILE 46 3HG2 ILE 46 4.870 0.279 1.803 288 HD11 ILE 46 3HD1 ILE 46 5.985 3.595 0.212 289 HD12 ILE 46 1HD1 ILE 46 6.358 1.899 0.518 290 HD13 ILE 46 2HD1 ILE 46 4.763 2.357 -0.078 291 H ALA 47 H ALA 47 4.285 0.753 5.862 292 HA ALA 47 HA ALA 47 6.602 -0.819 6.693 293 HB1 ALA 47 3HB ALA 47 5.083 0.991 8.438 294 HB2 ALA 47 1HB ALA 47 5.332 -0.634 9.078 295 HB3 ALA 47 2HB ALA 47 6.717 0.351 8.608 296 H VAL 48 H VAL 48 6.048 -2.816 6.123 297 HA VAL 48 HA VAL 48 3.267 -3.654 6.147 298 HB VAL 48 HB VAL 48 5.738 -5.188 5.327 299 HG11 VAL 48 1HG1 VAL 48 4.209 -6.743 4.270 300 HG12 VAL 48 2HG1 VAL 48 3.846 -6.619 5.992 301 HG13 VAL 48 3HG1 VAL 48 2.828 -5.791 4.814 302 HG21 VAL 48 3HG2 VAL 48 3.683 -3.818 3.596 303 HG22 VAL 48 1HG2 VAL 48 5.283 -3.171 3.960 304 HG23 VAL 48 2HG2 VAL 48 5.125 -4.675 3.052 305 H GLU 49 H GLU 49 2.343 -4.712 7.769 306 HA GLU 49 HA GLU 49 4.041 -6.267 9.600 307 HB2 GLU 49 1HB GLU 49 1.829 -4.353 10.357 308 HB3 GLU 49 2HB GLU 49 2.551 -5.507 11.469 309 HG2 GLU 49 1HG GLU 49 4.647 -4.421 11.386 310 HG3 GLU 49 2HG GLU 49 4.158 -3.432 10.011 311 H GLY 50 H GLY 50 3.402 -8.310 9.743 312 HA2 GLY 50 1HA GLY 50 0.551 -8.948 9.652 313 HA3 GLY 50 2HA GLY 50 1.571 -9.672 8.418 314 HA PRO 51 HA PRO 51 1.434 -12.621 11.959 315 HB2 PRO 51 1HB PRO 51 1.230 -14.831 10.396 316 HB3 PRO 51 2HB PRO 51 -0.171 -13.876 10.896 317 HG2 PRO 51 1HG PRO 51 1.324 -13.829 8.303 318 HG3 PRO 51 2HG PRO 51 -0.425 -13.789 8.587 319 HD2 PRO 51 1HD PRO 51 1.010 -11.564 8.023 320 HD3 PRO 51 2HD PRO 51 -0.423 -11.535 9.070 321 H SER 52 H SER 52 3.473 -12.002 9.313 322 HA SER 52 HA SER 52 5.697 -13.286 10.664 323 HB2 SER 52 1HB SER 52 4.590 -14.924 8.965 324 HB3 SER 52 2HB SER 52 5.357 -13.910 7.744 325 HG SER 52 HG SER 52 6.615 -15.357 9.833 326 H LYS 53 H LYS 53 7.730 -12.959 9.057 327 HA LYS 53 HA LYS 53 7.966 -10.105 8.810 328 HB2 LYS 53 1HB LYS 53 9.796 -11.637 9.619 329 HB3 LYS 53 2HB LYS 53 9.962 -12.209 7.964 330 HG2 LYS 53 1HG LYS 53 10.738 -10.126 7.207 331 HG3 LYS 53 2HG LYS 53 10.207 -9.305 8.676 332 HD2 LYS 53 1HD LYS 53 11.899 -10.439 9.973 333 HD3 LYS 53 2HD LYS 53 12.373 -11.404 8.572 334 HE2 LYS 53 1HE LYS 53 13.321 -9.564 7.485 335 HE3 LYS 53 2HE LYS 53 12.474 -8.407 8.509 336 HZ1 LYS 53 3HZ LYS 53 14.889 -8.685 9.000 337 HZ2 LYS 53 1HZ LYS 53 14.555 -10.258 9.524 338 HZ3 LYS 53 2HZ LYS 53 13.871 -8.936 10.327 339 H ALA 54 H ALA 54 8.103 -8.885 6.980 340 HA ALA 54 HA ALA 54 7.761 -10.276 4.406 341 HB1 ALA 54 3HB ALA 54 6.169 -8.651 3.680 342 HB2 ALA 54 1HB ALA 54 5.636 -9.265 5.245 343 HB3 ALA 54 2HB ALA 54 6.410 -7.684 5.135 344 H GLU 55 H GLU 55 9.159 -9.700 2.867 345 HA GLU 55 HA GLU 55 11.192 -7.764 3.434 346 HB2 GLU 55 1HB GLU 55 11.262 -10.000 2.017 347 HB3 GLU 55 2HB GLU 55 10.835 -8.913 0.703 348 HG2 GLU 55 1HG GLU 55 13.122 -8.217 2.478 349 HG3 GLU 55 2HG GLU 55 13.331 -9.451 1.237 350 H ILE 56 H ILE 56 11.701 -5.906 2.178 351 HA ILE 56 HA ILE 56 9.583 -4.856 0.457 352 HB ILE 56 HB ILE 56 10.662 -3.383 2.862 353 HG12 ILE 56 1HG1 ILE 56 7.772 -3.911 2.235 354 HG13 ILE 56 2HG1 ILE 56 8.746 -5.133 3.045 355 HG21 ILE 56 1HG2 ILE 56 10.483 -1.645 1.399 356 HG22 ILE 56 2HG2 ILE 56 9.262 -2.452 0.418 357 HG23 ILE 56 3HG2 ILE 56 8.812 -1.719 1.957 358 HD11 ILE 56 3HD1 ILE 56 9.305 -3.350 4.750 359 HD12 ILE 56 1HD1 ILE 56 8.020 -2.392 4.015 360 HD13 ILE 56 2HD1 ILE 56 7.648 -3.953 4.745 361 H THR 57 H THR 57 10.399 -3.936 -1.306 362 HA THR 57 HA THR 57 13.228 -3.108 -1.263 363 HB THR 57 HB THR 57 11.658 -4.067 -3.663 364 HG1 THR 57 1HG THR 57 12.571 -6.020 -3.333 365 HG21 THR 57 3HG2 THR 57 13.690 -3.993 -4.862 366 HG22 THR 57 1HG2 THR 57 14.641 -3.768 -3.395 367 HG23 THR 57 2HG2 THR 57 13.613 -2.464 -3.989 368 H PHE 58 H PHE 58 13.172 -0.949 -0.983 369 HA PHE 58 HA PHE 58 11.441 0.613 -2.786 370 HB2 PHE 58 1HB PHE 58 11.067 0.758 -0.241 371 HB3 PHE 58 2HB PHE 58 12.578 1.660 -0.202 372 HD1 PHE 58 2HD PHE 58 12.739 3.861 -1.244 373 HD2 PHE 58 1HD PHE 58 9.065 1.715 -1.139 374 HE1 PHE 58 2HE PHE 58 11.522 5.924 -1.803 375 HE2 PHE 58 1HE PHE 58 7.842 3.775 -1.698 376 HZ PHE 58 HZ PHE 58 9.070 5.884 -2.030 377 H ASP 59 H ASP 59 12.772 1.012 -4.479 378 HA ASP 59 HA ASP 59 15.197 2.569 -3.897 379 HB2 ASP 59 1HB ASP 59 14.924 0.227 -5.774 380 HB3 ASP 59 2HB ASP 59 16.201 1.426 -5.963 381 H ASP 60 H ASP 60 15.014 4.514 -4.766 382 HA ASP 60 HA ASP 60 13.534 4.793 -7.299 383 HB2 ASP 60 1HB ASP 60 12.379 5.776 -5.290 384 HB3 ASP 60 2HB ASP 60 13.731 6.892 -5.136 385 H HIS 61 H HIS 61 14.780 5.393 -8.932 386 HA HIS 61 HA HIS 61 17.195 6.979 -8.350 387 HB2 HIS 61 1HB HIS 61 17.779 4.761 -9.160 388 HB3 HIS 61 2HB HIS 61 16.721 4.960 -10.553 389 HD1 HIS 61 1HD HIS 61 20.144 5.516 -9.421 390 HD2 HIS 61 2HD HIS 61 17.672 6.991 -12.418 391 HE1 HIS 61 1HE HIS 61 21.678 6.637 -11.068 392 H LYS 62 H LYS 62 14.778 6.329 -10.882 393 HA LYS 62 HA LYS 62 15.302 8.959 -12.045 394 HB2 LYS 62 1HB LYS 62 14.980 6.667 -13.322 395 HB3 LYS 62 2HB LYS 62 13.275 7.066 -13.158 396 HG2 LYS 62 1HG LYS 62 13.420 8.876 -14.557 397 HG3 LYS 62 2HG LYS 62 15.137 9.124 -14.236 398 HD2 LYS 62 1HD LYS 62 15.656 7.090 -15.514 399 HD3 LYS 62 2HD LYS 62 13.937 6.878 -15.856 400 HE2 LYS 62 1HE LYS 62 13.973 9.147 -16.930 401 HE3 LYS 62 2HE LYS 62 15.727 9.132 -16.751 402 HZ1 LYS 62 3HZ LYS 62 15.863 7.982 -18.621 403 HZ2 LYS 62 1HZ LYS 62 14.178 7.976 -18.778 404 HZ3 LYS 62 2HZ LYS 62 14.954 6.726 -17.944 405 H ASN 63 H ASN 63 13.228 10.078 -12.903 406 HA ASN 63 HA ASN 63 11.691 10.842 -10.651 407 HB2 ASN 63 1HB ASN 63 11.220 11.407 -13.587 408 HB3 ASN 63 2HB ASN 63 10.430 12.238 -12.250 409 HD21 ASN 63 1HD2 ASN 63 13.425 11.755 -13.958 410 HD22 ASN 63 2HD2 ASN 63 14.239 13.142 -13.327 411 H GLY 64 H GLY 64 11.188 8.558 -13.244 412 HA2 GLY 64 1HA GLY 64 8.385 8.178 -12.540 413 HA3 GLY 64 2HA GLY 64 9.247 7.385 -13.850 414 H SER 65 H SER 65 8.831 7.438 -10.342 415 HA SER 65 HA SER 65 10.332 5.196 -9.680 416 HB2 SER 65 1HB SER 65 9.260 6.806 -8.069 417 HB3 SER 65 2HB SER 65 7.723 5.994 -8.369 418 HG SER 65 HG SER 65 8.547 4.982 -6.621 419 H CYS 66 H CYS 66 9.487 3.059 -8.964 420 HA CYS 66 HA CYS 66 7.499 2.067 -10.897 421 HB2 CYS 66 1HB CYS 66 9.969 0.828 -9.722 422 HB3 CYS 66 2HB CYS 66 8.673 -0.191 -10.335 423 HG CYS 66 HG CYS 66 8.869 1.493 -12.844 424 H GLY 67 H GLY 67 7.047 3.211 -8.180 425 HA2 GLY 67 1HA GLY 67 5.461 2.798 -6.550 426 HA3 GLY 67 2HA GLY 67 5.172 1.230 -7.290 427 H VAL 68 H VAL 68 5.148 0.042 -5.417 428 HA VAL 68 HA VAL 68 7.761 -0.280 -4.116 429 HB VAL 68 HB VAL 68 5.152 -0.194 -2.596 430 HG11 VAL 68 1HG1 VAL 68 6.533 -1.590 -1.375 431 HG12 VAL 68 2HG1 VAL 68 7.997 -0.721 -1.838 432 HG13 VAL 68 3HG1 VAL 68 6.882 -0.013 -0.669 433 HG21 VAL 68 3HG2 VAL 68 7.364 1.834 -2.435 434 HG22 VAL 68 1HG2 VAL 68 5.999 2.015 -3.535 435 HG23 VAL 68 2HG2 VAL 68 5.726 1.943 -1.795 436 H SER 69 H SER 69 8.235 -2.352 -3.408 437 HA SER 69 HA SER 69 6.264 -4.433 -4.093 438 HB2 SER 69 1HB SER 69 8.004 -5.826 -4.988 439 HB3 SER 69 2HB SER 69 8.151 -4.243 -5.753 440 HG SER 69 HG SER 69 10.181 -4.798 -5.117 441 H TYR 70 H TYR 70 6.437 -6.413 -2.895 442 HA TYR 70 HA TYR 70 8.174 -6.551 -0.605 443 HB2 TYR 70 1HB TYR 70 6.604 -6.329 1.116 444 HB3 TYR 70 2HB TYR 70 6.186 -5.022 0.014 445 HD1 TYR 70 2HD TYR 70 4.150 -5.137 -1.337 446 HD2 TYR 70 1HD TYR 70 5.129 -8.217 1.430 447 HE1 TYR 70 2HE TYR 70 1.844 -5.979 -1.469 448 HE2 TYR 70 1HE TYR 70 2.825 -9.069 1.305 449 HH TYR 70 HH TYR 70 0.496 -7.998 0.704 450 H ILE 71 H ILE 71 8.209 -8.599 0.357 451 HA ILE 71 HA ILE 71 6.577 -10.654 -0.981 452 HB ILE 71 HB ILE 71 9.527 -10.687 -0.400 453 HG12 ILE 71 1HG1 ILE 71 7.925 -11.419 -2.862 454 HG13 ILE 71 2HG1 ILE 71 8.727 -9.873 -2.605 455 HG21 ILE 71 1HG2 ILE 71 7.738 -13.059 -0.913 456 HG22 ILE 71 2HG2 ILE 71 9.499 -13.096 -0.971 457 HG23 ILE 71 3HG2 ILE 71 8.676 -12.733 0.545 458 HD11 ILE 71 3HD1 ILE 71 10.659 -11.884 -2.201 459 HD12 ILE 71 1HD1 ILE 71 9.782 -12.285 -3.677 460 HD13 ILE 71 2HD1 ILE 71 10.557 -10.709 -3.512 461 H ALA 72 H ALA 72 5.620 -12.117 0.309 462 HA ALA 72 HA ALA 72 6.213 -11.967 3.188 463 HB1 ALA 72 3HB ALA 72 3.920 -12.815 3.528 464 HB2 ALA 72 1HB ALA 72 3.960 -11.276 2.668 465 HB3 ALA 72 2HB ALA 72 3.671 -12.775 1.782 466 H GLN 73 H GLN 73 7.451 -13.595 3.849 467 HA GLN 73 HA GLN 73 7.963 -15.957 2.490 468 HB2 GLN 73 1HB GLN 73 8.178 -15.275 5.419 469 HB3 GLN 73 2HB GLN 73 8.723 -16.812 4.764 470 HG2 GLN 73 1HG GLN 73 9.714 -14.278 3.553 471 HG3 GLN 73 2HG GLN 73 10.389 -14.835 5.083 472 HE21 GLN 73 1HE2 GLN 73 10.049 -15.485 1.688 473 HE22 GLN 73 2HE2 GLN 73 11.273 -16.702 1.591 474 H GLU 74 H GLU 74 5.557 -15.283 4.995 475 HA GLU 74 HA GLU 74 4.341 -17.906 4.417 476 HB2 GLU 74 1HB GLU 74 3.818 -16.442 6.975 477 HB3 GLU 74 2HB GLU 74 3.724 -18.165 6.640 478 HG2 GLU 74 1HG GLU 74 6.273 -18.028 6.335 479 HG3 GLU 74 2HG GLU 74 6.137 -16.483 7.174 480 HA PRO 75 HA PRO 75 0.781 -15.749 2.990 481 HB2 PRO 75 1HB PRO 75 -1.077 -17.695 3.347 482 HB3 PRO 75 2HB PRO 75 0.131 -17.745 2.058 483 HG2 PRO 75 1HG PRO 75 0.132 -19.134 4.709 484 HG3 PRO 75 2HG PRO 75 0.582 -19.767 3.115 485 HD2 PRO 75 1HD PRO 75 2.419 -18.963 4.936 486 HD3 PRO 75 2HD PRO 75 2.676 -18.805 3.187 487 H GLY 76 H GLY 76 -1.158 -14.775 3.709 488 HA2 GLY 76 1HA GLY 76 -2.712 -15.119 5.851 489 HA3 GLY 76 2HA GLY 76 -1.273 -14.441 6.598 490 H ASN 77 H ASN 77 -2.925 -12.791 7.233 491 HA ASN 77 HA ASN 77 -3.522 -10.890 5.082 492 HB2 ASN 77 1HB ASN 77 -5.091 -9.864 6.637 493 HB3 ASN 77 2HB ASN 77 -5.392 -11.597 6.540 494 HD21 ASN 77 1HD2 ASN 77 -6.153 -9.807 8.640 495 HD22 ASN 77 2HD2 ASN 77 -5.381 -10.362 10.083 496 H TYR 78 H TYR 78 -1.681 -9.733 4.766 497 HA TYR 78 HA TYR 78 -0.212 -8.668 7.036 498 HB2 TYR 78 1HB TYR 78 0.236 -8.611 4.057 499 HB3 TYR 78 2HB TYR 78 1.221 -7.661 5.164 500 HD1 TYR 78 2HD TYR 78 0.092 -11.162 4.554 501 HD2 TYR 78 1HD TYR 78 3.120 -8.609 6.106 502 HE1 TYR 78 2HE TYR 78 1.535 -13.117 4.938 503 HE2 TYR 78 1HE TYR 78 4.572 -10.557 6.493 504 HH TYR 78 HH TYR 78 3.414 -13.792 6.234 505 H GLU 79 H GLU 79 -0.607 -6.752 7.907 506 HA GLU 79 HA GLU 79 -2.321 -4.867 6.465 507 HB2 GLU 79 1HB GLU 79 -2.620 -5.719 8.951 508 HB3 GLU 79 2HB GLU 79 -1.471 -4.434 9.295 509 HG2 GLU 79 1HG GLU 79 -3.037 -2.899 8.015 510 HG3 GLU 79 2HG GLU 79 -4.216 -4.207 8.108 511 H VAL 80 H VAL 80 -1.235 -3.470 5.238 512 HA VAL 80 HA VAL 80 1.430 -2.590 5.962 513 HB VAL 80 HB VAL 80 -0.203 -1.592 3.635 514 HG11 VAL 80 1HG1 VAL 80 2.050 -1.303 2.628 515 HG12 VAL 80 2HG1 VAL 80 1.787 -0.314 4.066 516 HG13 VAL 80 3HG1 VAL 80 2.759 -1.783 4.170 517 HG21 VAL 80 3HG2 VAL 80 0.933 -4.247 4.096 518 HG22 VAL 80 1HG2 VAL 80 -0.257 -3.711 2.911 519 HG23 VAL 80 2HG2 VAL 80 1.465 -3.496 2.591 520 H SER 81 H SER 81 2.034 -0.386 6.208 521 HA SER 81 HA SER 81 -0.171 1.383 7.042 522 HB2 SER 81 1HB SER 81 1.044 2.122 8.915 523 HB3 SER 81 2HB SER 81 1.330 0.382 8.894 524 HG SER 81 HG SER 81 3.241 1.705 9.190 525 H ILE 82 H ILE 82 -0.278 3.236 5.971 526 HA ILE 82 HA ILE 82 2.175 4.291 4.728 527 HB ILE 82 HB ILE 82 -0.598 4.284 3.530 528 HG12 ILE 82 1HG1 ILE 82 1.951 2.994 2.535 529 HG13 ILE 82 2HG1 ILE 82 0.683 2.137 3.405 530 HG21 ILE 82 1HG2 ILE 82 1.936 5.393 2.337 531 HG22 ILE 82 2HG2 ILE 82 0.307 5.481 1.670 532 HG23 ILE 82 3HG2 ILE 82 0.708 6.375 3.135 533 HD11 ILE 82 3HD1 ILE 82 -0.658 2.037 1.609 534 HD12 ILE 82 1HD1 ILE 82 -0.198 3.641 1.039 535 HD13 ILE 82 2HD1 ILE 82 0.854 2.259 0.729 536 H LYS 83 H LYS 83 2.678 6.244 5.441 537 HA LYS 83 HA LYS 83 0.508 8.013 6.366 538 HB2 LYS 83 1HB LYS 83 3.124 7.320 7.614 539 HB3 LYS 83 2HB LYS 83 2.540 8.968 7.797 540 HG2 LYS 83 1HG LYS 83 0.323 7.722 8.513 541 HG3 LYS 83 2HG LYS 83 1.466 6.436 8.906 542 HD2 LYS 83 1HD LYS 83 1.859 9.262 9.850 543 HD3 LYS 83 2HD LYS 83 0.888 8.101 10.756 544 HE2 LYS 83 1HE LYS 83 2.733 6.702 11.147 545 HE3 LYS 83 2HE LYS 83 3.699 7.485 9.898 546 HZ1 LYS 83 3HZ LYS 83 2.896 9.350 11.882 547 HZ2 LYS 83 1HZ LYS 83 4.454 8.944 11.364 548 HZ3 LYS 83 2HZ LYS 83 3.710 8.048 12.590 549 H PHE 84 H PHE 84 0.294 9.704 5.071 550 HA PHE 84 HA PHE 84 2.603 10.631 3.526 551 HB2 PHE 84 1HB PHE 84 0.553 10.103 2.271 552 HB3 PHE 84 2HB PHE 84 -0.334 11.291 3.220 553 HD1 PHE 84 2HD PHE 84 2.705 11.056 1.071 554 HD2 PHE 84 1HD PHE 84 -0.624 13.389 2.336 555 HE1 PHE 84 2HE PHE 84 3.315 12.802 -0.552 556 HE2 PHE 84 1HE PHE 84 -0.020 15.137 0.714 557 HZ PHE 84 HZ PHE 84 1.952 14.845 -0.733 558 H ASN 85 H ASN 85 3.753 11.992 4.792 559 HA ASN 85 HA ASN 85 4.326 13.951 5.803 560 HB2 ASN 85 1HB ASN 85 1.531 14.918 5.182 561 HB3 ASN 85 2HB ASN 85 2.952 15.903 5.515 562 HD21 ASN 85 1HD2 ASN 85 2.338 16.918 3.479 563 HD22 ASN 85 2HD2 ASN 85 2.893 16.220 2.000 564 H ASP 86 H ASP 86 3.573 11.894 7.416 565 HA ASP 86 HA ASP 86 3.020 11.425 9.572 566 HB2 ASP 86 1HB ASP 86 3.216 14.393 9.571 567 HB3 ASP 86 2HB ASP 86 2.432 13.636 10.956 568 H GLU 87 H GLU 87 1.003 11.353 7.564 569 HA GLU 87 HA GLU 87 -1.353 11.691 9.272 570 HB2 GLU 87 1HB GLU 87 -0.922 12.864 6.558 571 HB3 GLU 87 2HB GLU 87 -2.535 12.319 6.998 572 HG2 GLU 87 1HG GLU 87 -2.491 13.791 8.954 573 HG3 GLU 87 2HG GLU 87 -0.887 14.352 8.485 574 H HIS 88 H HIS 88 -2.770 10.034 9.180 575 HA HIS 88 HA HIS 88 -2.031 7.744 7.545 576 HB2 HIS 88 1HB HIS 88 -3.611 8.181 10.009 577 HB3 HIS 88 2HB HIS 88 -4.168 6.879 8.963 578 HD2 HIS 88 2HD HIS 88 -1.046 7.778 11.152 579 HE1 HIS 88 1HE HIS 88 -0.832 3.682 10.069 580 HE2 HIS 88 2HE HIS 88 0.131 5.504 11.516 581 H ILE 89 H ILE 89 -2.686 8.517 5.494 582 HA ILE 89 HA ILE 89 -4.965 9.662 4.642 583 HB ILE 89 HB ILE 89 -4.844 8.187 2.587 584 HG12 ILE 89 1HG1 ILE 89 -2.553 7.005 4.167 585 HG13 ILE 89 2HG1 ILE 89 -3.976 6.160 3.566 586 HG21 ILE 89 1HG2 ILE 89 -2.424 9.007 2.085 587 HG22 ILE 89 2HG2 ILE 89 -3.709 10.180 2.360 588 HG23 ILE 89 3HG2 ILE 89 -2.570 9.801 3.652 589 HD11 ILE 89 3HD1 ILE 89 -2.696 5.575 1.850 590 HD12 ILE 89 1HD1 ILE 89 -2.895 7.234 1.286 591 HD13 ILE 89 2HD1 ILE 89 -1.476 6.790 2.234 592 HA PRO 90 HA PRO 90 -8.463 7.173 5.558 593 HB2 PRO 90 1HB PRO 90 -10.037 7.642 3.397 594 HB3 PRO 90 2HB PRO 90 -9.748 8.850 4.655 595 HG2 PRO 90 1HG PRO 90 -8.457 8.569 1.968 596 HG3 PRO 90 2HG PRO 90 -9.032 10.034 2.786 597 HD2 PRO 90 1HD PRO 90 -6.420 9.325 2.733 598 HD3 PRO 90 2HD PRO 90 -7.146 10.192 4.101 599 H GLU 91 H GLU 91 -6.260 6.289 3.311 600 HA GLU 91 HA GLU 91 -7.801 3.924 2.463 601 HB2 GLU 91 1HB GLU 91 -5.393 5.192 1.145 602 HB3 GLU 91 2HB GLU 91 -6.211 3.740 0.585 603 HG2 GLU 91 1HG GLU 91 -7.654 6.349 0.880 604 HG3 GLU 91 2HG GLU 91 -6.756 5.937 -0.580 605 H SER 92 H SER 92 -5.504 4.921 4.604 606 HA SER 92 HA SER 92 -4.295 2.237 4.711 607 HB2 SER 92 1HB SER 92 -2.386 3.373 4.196 608 HB3 SER 92 2HB SER 92 -3.020 4.913 4.779 609 HG SER 92 HG SER 92 -1.943 4.564 6.534 610 HA PRO 93 HA PRO 93 -2.573 1.509 6.206 611 HB2 PRO 93 1HB PRO 93 -2.937 -0.788 7.606 612 HB3 PRO 93 2HB PRO 93 -2.057 0.602 8.252 613 HG2 PRO 93 1HG PRO 93 -4.887 -0.241 8.740 614 HG3 PRO 93 2HG PRO 93 -3.681 0.350 9.897 615 HD2 PRO 93 1HD PRO 93 -5.636 1.932 8.896 616 HD3 PRO 93 2HD PRO 93 -4.030 2.556 9.328 617 H TYR 94 H TYR 94 -2.485 -0.522 4.979 618 HA TYR 94 HA TYR 94 -5.089 -1.107 3.752 619 HB2 TYR 94 1HB TYR 94 -2.267 -1.427 2.722 620 HB3 TYR 94 2HB TYR 94 -3.682 -2.044 1.876 621 HD1 TYR 94 2HD TYR 94 -2.250 1.107 3.257 622 HD2 TYR 94 1HD TYR 94 -4.813 -0.679 0.369 623 HE1 TYR 94 2HE TYR 94 -2.551 3.297 2.179 624 HE2 TYR 94 1HE TYR 94 -5.121 1.507 -0.718 625 HH TYR 94 HH TYR 94 -3.233 4.288 0.183 626 H LEU 95 H LEU 95 -5.705 -3.253 3.304 627 HA LEU 95 HA LEU 95 -4.290 -5.285 4.903 628 HB2 LEU 95 1HB LEU 95 -6.539 -4.526 5.763 629 HB3 LEU 95 2HB LEU 95 -7.242 -5.254 4.320 630 HG LEU 95 HG LEU 95 -6.296 -7.446 5.057 631 HD11 LEU 95 1HD1 LEU 95 -4.522 -6.532 6.498 632 HD12 LEU 95 2HD1 LEU 95 -5.543 -7.698 7.340 633 HD13 LEU 95 3HD1 LEU 95 -5.753 -5.971 7.629 634 HD21 LEU 95 3HD2 LEU 95 -8.642 -6.741 5.477 635 HD22 LEU 95 1HD2 LEU 95 -8.140 -6.159 7.064 636 HD23 LEU 95 2HD2 LEU 95 -8.016 -7.875 6.675 637 H VAL 96 H VAL 96 -3.201 -6.495 3.480 638 HA VAL 96 HA VAL 96 -4.583 -7.350 1.024 639 HB VAL 96 HB VAL 96 -1.613 -7.490 1.513 640 HG11 VAL 96 1HG1 VAL 96 -2.772 -7.214 -1.188 641 HG12 VAL 96 2HG1 VAL 96 -1.410 -8.187 -0.629 642 HG13 VAL 96 3HG1 VAL 96 -3.062 -8.746 -0.365 643 HG21 VAL 96 3HG2 VAL 96 -2.371 -5.418 -0.324 644 HG22 VAL 96 1HG2 VAL 96 -3.135 -5.150 1.243 645 HG23 VAL 96 2HG2 VAL 96 -1.382 -5.312 1.132 646 HA PRO 97 HA PRO 97 -4.682 -11.257 3.285 647 HB2 PRO 97 1HB PRO 97 -6.469 -12.428 1.610 648 HB3 PRO 97 2HB PRO 97 -6.945 -11.305 2.888 649 HG2 PRO 97 1HG PRO 97 -6.575 -10.797 -0.039 650 HG3 PRO 97 2HG PRO 97 -7.862 -10.230 1.041 651 HD2 PRO 97 1HD PRO 97 -5.779 -8.662 0.308 652 HD3 PRO 97 2HD PRO 97 -6.568 -8.522 1.892 653 H VAL 98 H VAL 98 -2.494 -11.739 2.674 654 HA VAL 98 HA VAL 98 -1.901 -12.768 0.060 655 HB VAL 98 HB VAL 98 -0.270 -12.912 2.600 656 HG11 VAL 98 1HG1 VAL 98 0.132 -13.976 -0.084 657 HG12 VAL 98 2HG1 VAL 98 1.465 -12.962 0.473 658 HG13 VAL 98 3HG1 VAL 98 0.962 -14.360 1.424 659 HG21 VAL 98 3HG2 VAL 98 0.966 -11.014 1.657 660 HG22 VAL 98 1HG2 VAL 98 -0.162 -10.959 0.302 661 HG23 VAL 98 2HG2 VAL 98 -0.729 -10.614 1.936 662 H ILE 99 H ILE 99 -1.590 -14.877 -0.565 663 HA ILE 99 HA ILE 99 -2.150 -16.984 1.399 664 HB ILE 99 HB ILE 99 -3.593 -18.162 -0.194 665 HG12 ILE 99 1HG1 ILE 99 -3.868 -15.701 -1.860 666 HG13 ILE 99 2HG1 ILE 99 -2.486 -16.751 -2.151 667 HG21 ILE 99 1HG2 ILE 99 -4.441 -16.478 1.524 668 HG22 ILE 99 2HG2 ILE 99 -4.693 -15.393 0.159 669 HG23 ILE 99 3HG2 ILE 99 -5.545 -16.935 0.227 670 HD11 ILE 99 3HD1 ILE 99 -4.044 -17.549 -3.642 671 HD12 ILE 99 1HD1 ILE 99 -4.264 -18.630 -2.267 672 HD13 ILE 99 2HD1 ILE 99 -5.391 -17.300 -2.532 673 H ALA 100 H ALA 100 -1.408 -19.099 0.763 674 HA ALA 100 HA ALA 100 1.082 -18.975 -0.681 675 HB1 ALA 100 3HB ALA 100 -0.154 -20.741 1.238 676 HB2 ALA 100 1HB ALA 100 0.562 -21.646 -0.096 677 HB3 ALA 100 2HB ALA 100 1.551 -20.525 0.841 678 HA PRO 101 HA PRO 101 -0.892 -20.050 -4.548 679 HB2 PRO 101 1HB PRO 101 1.381 -19.947 -6.028 680 HB3 PRO 101 2HB PRO 101 0.498 -18.502 -5.520 681 HG2 PRO 101 1HG PRO 101 2.942 -19.747 -4.321 682 HG3 PRO 101 2HG PRO 101 2.591 -18.035 -4.620 683 HD2 PRO 101 1HD PRO 101 2.333 -19.169 -2.175 684 HD3 PRO 101 2HD PRO 101 1.292 -17.840 -2.727 685 H SER 102 H SER 102 -1.410 -22.063 -5.101 686 HA SER 102 HA SER 102 -0.165 -24.367 -4.197 687 HB2 SER 102 1HB SER 102 -1.497 -25.567 -5.889 688 HB3 SER 102 2HB SER 102 -2.460 -24.337 -5.070 689 HG SER 102 HG SER 102 -1.655 -22.999 -7.000 690 H ASP 103 H ASP 103 1.534 -25.547 -4.822 691 HA ASP 103 HA ASP 103 2.820 -24.869 -7.388 692 HB2 ASP 103 1HB ASP 103 4.994 -25.327 -6.326 693 HB3 ASP 103 2HB ASP 103 4.145 -24.011 -5.521 694 H ASP 104 H ASP 104 4.324 -26.643 -8.147 695 HA ASP 104 HA ASP 104 3.743 -29.323 -7.274 696 HB2 ASP 104 1HB ASP 104 2.964 -29.964 -9.650 697 HB3 ASP 104 2HB ASP 104 1.797 -29.198 -8.576 698 H ALA 105 H ALA 105 5.130 -30.882 -8.195 699 HA ALA 105 HA ALA 105 7.693 -29.920 -8.894 700 HB1 ALA 105 3HB ALA 105 7.045 -32.131 -7.757 701 HB2 ALA 105 1HB ALA 105 6.797 -32.737 -9.395 702 HB3 ALA 105 2HB ALA 105 8.386 -32.146 -8.904 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.682 28.024 -17.132 2 HA2 GLY 1 1HA GLY 1 2.335 30.270 -17.891 3 HA3 GLY 1 2HA GLY 1 0.578 30.206 -17.920 4 H SER 2 H SER 2 -0.585 30.935 -16.179 5 HA SER 2 HA SER 2 0.874 32.622 -14.331 6 HB2 SER 2 1HB SER 2 -2.114 32.184 -14.521 7 HB3 SER 2 2HB SER 2 -1.287 33.512 -13.708 8 HG SER 2 HG SER 2 -0.804 34.406 -15.612 9 H SER 3 H SER 3 1.490 32.012 -12.375 10 HA SER 3 HA SER 3 0.487 29.517 -11.265 11 HB2 SER 3 1HB SER 3 2.938 30.049 -11.316 12 HB3 SER 3 2HB SER 3 2.633 31.342 -10.156 13 HG SER 3 HG SER 3 3.252 29.485 -9.055 14 H GLY 4 H GLY 4 -1.013 29.398 -9.728 15 HA2 GLY 4 1HA GLY 4 -1.457 31.746 -8.005 16 HA3 GLY 4 2HA GLY 4 -2.812 30.991 -8.830 17 H SER 5 H SER 5 -2.738 28.449 -8.481 18 HA SER 5 HA SER 5 -2.770 28.106 -5.576 19 HB2 SER 5 1HB SER 5 -4.173 26.152 -6.000 20 HB3 SER 5 2HB SER 5 -4.819 27.553 -6.854 21 HG SER 5 HG SER 5 -4.542 26.524 -8.656 22 H SER 6 H SER 6 -0.877 27.437 -4.787 23 HA SER 6 HA SER 6 0.504 25.237 -6.178 24 HB2 SER 6 1HB SER 6 1.568 27.617 -4.689 25 HB3 SER 6 2HB SER 6 2.534 26.146 -4.810 26 HG SER 6 HG SER 6 1.392 27.154 -7.149 27 H GLY 7 H GLY 7 -1.534 24.550 -4.519 28 HA2 GLY 7 1HA GLY 7 -0.207 22.902 -2.607 29 HA3 GLY 7 2HA GLY 7 -1.057 24.223 -1.820 30 H GLU 8 H GLU 8 -3.087 23.842 -1.242 31 HA GLU 8 HA GLU 8 -5.056 22.725 -0.953 32 HB2 GLU 8 1HB GLU 8 -4.772 22.992 -3.923 33 HB3 GLU 8 2HB GLU 8 -6.141 22.112 -3.258 34 HG2 GLU 8 1HG GLU 8 -6.989 24.010 -2.186 35 HG3 GLU 8 2HG GLU 8 -5.472 24.891 -2.361 36 H GLY 9 H GLY 9 -3.008 21.052 -0.418 37 HA2 GLY 9 1HA GLY 9 -3.801 18.520 -1.722 38 HA3 GLY 9 2HA GLY 9 -2.179 18.841 -1.124 39 H GLY 10 H GLY 10 -2.081 17.130 0.295 40 HA2 GLY 10 1HA GLY 10 -2.312 17.015 2.795 41 HA3 GLY 10 2HA GLY 10 -4.036 17.192 2.510 42 H ALA 11 H ALA 11 -2.466 15.030 3.809 43 HA ALA 11 HA ALA 11 -2.117 12.735 2.403 44 HB1 ALA 11 3HB ALA 11 -2.147 11.651 4.390 45 HB2 ALA 11 1HB ALA 11 -2.145 13.300 5.018 46 HB3 ALA 11 2HB ALA 11 -3.659 12.401 4.904 47 H HIS 12 H HIS 12 -5.231 13.938 3.627 48 HA HIS 12 HA HIS 12 -6.873 11.862 2.848 49 HB2 HIS 12 1HB HIS 12 -8.692 13.533 2.748 50 HB3 HIS 12 2HB HIS 12 -7.688 13.729 4.181 51 HD1 HIS 12 1HD HIS 12 -5.884 15.732 4.029 52 HD2 HIS 12 2HD HIS 12 -8.939 15.773 1.215 53 HE1 HIS 12 1HE HIS 12 -5.907 18.067 3.096 54 H LYS 13 H LYS 13 -5.818 14.655 0.929 55 HA LYS 13 HA LYS 13 -7.280 14.170 -1.382 56 HB2 LYS 13 1HB LYS 13 -4.550 15.396 -0.998 57 HB3 LYS 13 2HB LYS 13 -5.373 15.367 -2.552 58 HG2 LYS 13 1HG LYS 13 -6.765 16.502 -0.171 59 HG3 LYS 13 2HG LYS 13 -5.542 17.456 -1.012 60 HD2 LYS 13 1HD LYS 13 -7.444 18.095 -2.137 61 HD3 LYS 13 2HD LYS 13 -6.897 16.751 -3.142 62 HE2 LYS 13 1HE LYS 13 -8.560 15.342 -2.393 63 HE3 LYS 13 2HE LYS 13 -8.764 16.216 -0.876 64 HZ1 LYS 13 3HZ LYS 13 -10.366 16.428 -3.059 65 HZ2 LYS 13 1HZ LYS 13 -9.394 17.808 -3.176 66 HZ3 LYS 13 2HZ LYS 13 -10.301 17.528 -1.776 67 H VAL 14 H VAL 14 -4.034 13.000 -0.519 68 HA VAL 14 HA VAL 14 -3.364 11.639 -2.807 69 HB VAL 14 HB VAL 14 -2.848 10.770 0.041 70 HG11 VAL 14 1HG1 VAL 14 -1.884 8.946 -0.777 71 HG12 VAL 14 2HG1 VAL 14 -2.313 9.434 -2.418 72 HG13 VAL 14 3HG1 VAL 14 -0.784 9.958 -1.713 73 HG21 VAL 14 3HG2 VAL 14 -0.719 11.899 -0.204 74 HG22 VAL 14 1HG2 VAL 14 -1.116 12.341 -1.865 75 HG23 VAL 14 2HG2 VAL 14 -2.034 13.029 -0.525 76 H ARG 15 H ARG 15 -3.870 9.725 -3.748 77 HA ARG 15 HA ARG 15 -5.676 7.891 -2.360 78 HB2 ARG 15 1HB ARG 15 -7.097 9.422 -3.679 79 HB3 ARG 15 2HB ARG 15 -6.213 8.973 -5.130 80 HG2 ARG 15 1HG ARG 15 -6.980 6.665 -4.885 81 HG3 ARG 15 2HG ARG 15 -7.874 7.122 -3.434 82 HD2 ARG 15 1HD ARG 15 -9.427 8.360 -4.625 83 HD3 ARG 15 2HD ARG 15 -8.350 8.571 -6.005 84 HE ARG 15 HE ARG 15 -9.024 5.837 -5.637 85 HH11 ARG 15 1HH1 ARG 15 -10.270 8.860 -6.831 86 HH12 ARG 15 2HH1 ARG 15 -11.358 8.117 -7.955 87 HH21 ARG 15 1HH2 ARG 15 -10.453 4.846 -7.113 88 HH22 ARG 15 2HH2 ARG 15 -11.463 5.833 -8.114 89 H ALA 16 H ALA 16 -4.980 5.872 -2.559 90 HA ALA 16 HA ALA 16 -3.012 5.258 -4.640 91 HB1 ALA 16 3HB ALA 16 -3.556 3.189 -2.645 92 HB2 ALA 16 1HB ALA 16 -2.023 3.883 -3.175 93 HB3 ALA 16 2HB ALA 16 -2.997 4.717 -1.964 94 H GLY 17 H GLY 17 -3.121 3.129 -5.698 95 HA2 GLY 17 1HA GLY 17 -5.490 1.579 -5.706 96 HA3 GLY 17 2HA GLY 17 -5.529 2.728 -7.035 97 H GLY 18 H GLY 18 -4.892 -0.365 -6.384 98 HA2 GLY 18 1HA GLY 18 -3.558 -0.844 -8.829 99 HA3 GLY 18 2HA GLY 18 -2.400 -0.932 -7.510 100 HA PRO 19 HA PRO 19 -5.004 -4.912 -8.082 101 HB2 PRO 19 1HB PRO 19 -3.284 -6.371 -9.593 102 HB3 PRO 19 2HB PRO 19 -4.549 -5.353 -10.290 103 HG2 PRO 19 1HG PRO 19 -1.633 -4.777 -9.942 104 HG3 PRO 19 2HG PRO 19 -2.680 -4.447 -11.334 105 HD2 PRO 19 1HD PRO 19 -2.000 -2.537 -9.540 106 HD3 PRO 19 2HD PRO 19 -3.563 -2.544 -10.381 107 H GLY 20 H GLY 20 -1.583 -4.261 -7.571 108 HA2 GLY 20 1HA GLY 20 -0.857 -6.663 -6.316 109 HA3 GLY 20 2HA GLY 20 -0.073 -5.111 -6.067 110 H LEU 21 H LEU 21 -2.644 -3.926 -5.121 111 HA LEU 21 HA LEU 21 -2.302 -4.586 -2.347 112 HB2 LEU 21 1HB LEU 21 -4.264 -2.759 -3.724 113 HB3 LEU 21 2HB LEU 21 -4.055 -2.883 -1.979 114 HG LEU 21 HG LEU 21 -1.879 -1.999 -3.869 115 HD11 LEU 21 1HD1 LEU 21 -3.172 -0.039 -2.096 116 HD12 LEU 21 2HD1 LEU 21 -4.137 -0.585 -3.468 117 HD13 LEU 21 3HD1 LEU 21 -2.554 0.143 -3.737 118 HD21 LEU 21 3HD2 LEU 21 -0.548 -1.888 -2.084 119 HD22 LEU 21 1HD2 LEU 21 -1.750 -2.877 -1.256 120 HD23 LEU 21 2HD2 LEU 21 -1.797 -1.121 -1.100 121 H GLU 22 H GLU 22 -4.860 -5.007 -4.762 122 HA GLU 22 HA GLU 22 -6.985 -5.901 -3.414 123 HB2 GLU 22 1HB GLU 22 -5.774 -7.361 -5.768 124 HB3 GLU 22 2HB GLU 22 -7.442 -7.496 -5.229 125 HG2 GLU 22 1HG GLU 22 -6.337 -4.820 -5.942 126 HG3 GLU 22 2HG GLU 22 -6.820 -5.938 -7.216 127 H ARG 23 H ARG 23 -4.266 -8.062 -4.237 128 HA ARG 23 HA ARG 23 -4.632 -9.469 -1.720 129 HB2 ARG 23 1HB ARG 23 -5.275 -10.613 -4.384 130 HB3 ARG 23 2HB ARG 23 -4.400 -11.649 -3.264 131 HG2 ARG 23 1HG ARG 23 -6.145 -11.731 -1.762 132 HG3 ARG 23 2HG ARG 23 -6.857 -10.226 -2.348 133 HD2 ARG 23 1HD ARG 23 -7.136 -11.617 -4.567 134 HD3 ARG 23 2HD ARG 23 -7.051 -12.984 -3.456 135 HE ARG 23 HE ARG 23 -8.925 -10.954 -2.660 136 HH11 ARG 23 1HH1 ARG 23 -8.445 -13.822 -4.573 137 HH12 ARG 23 2HH1 ARG 23 -10.123 -14.254 -4.585 138 HH21 ARG 23 1HH2 ARG 23 -11.137 -11.511 -2.667 139 HH22 ARG 23 2HH2 ARG 23 -11.654 -12.938 -3.501 140 H GLY 24 H GLY 24 -2.952 -11.468 -1.823 141 HA2 GLY 24 1HA GLY 24 -0.484 -10.605 -3.144 142 HA3 GLY 24 2HA GLY 24 -0.476 -10.721 -1.391 143 H GLU 25 H GLU 25 1.349 -12.232 -2.207 144 HA GLU 25 HA GLU 25 0.284 -14.942 -2.054 145 HB2 GLU 25 1HB GLU 25 1.907 -13.860 -4.329 146 HB3 GLU 25 2HB GLU 25 2.088 -15.542 -3.856 147 HG2 GLU 25 1HG GLU 25 -0.114 -16.064 -4.415 148 HG3 GLU 25 2HG GLU 25 -0.606 -14.372 -4.430 149 H ALA 26 H ALA 26 1.632 -16.388 -1.036 150 HA ALA 26 HA ALA 26 3.632 -15.304 0.665 151 HB1 ALA 26 3HB ALA 26 3.281 -18.236 0.138 152 HB2 ALA 26 1HB ALA 26 3.784 -17.429 1.623 153 HB3 ALA 26 2HB ALA 26 2.108 -17.319 1.083 154 H GLY 27 H GLY 27 5.796 -15.213 0.462 155 HA2 GLY 27 1HA GLY 27 7.868 -15.303 -0.520 156 HA3 GLY 27 2HA GLY 27 7.411 -16.916 -1.046 157 H VAL 28 H VAL 28 5.653 -14.050 -2.010 158 HA VAL 28 HA VAL 28 6.846 -14.240 -4.694 159 HB VAL 28 HB VAL 28 3.903 -13.952 -4.076 160 HG11 VAL 28 1HG1 VAL 28 3.677 -12.980 -6.057 161 HG12 VAL 28 2HG1 VAL 28 5.418 -13.080 -6.330 162 HG13 VAL 28 3HG1 VAL 28 4.368 -14.410 -6.823 163 HG21 VAL 28 3HG2 VAL 28 4.009 -16.077 -5.659 164 HG22 VAL 28 1HG2 VAL 28 5.622 -16.206 -4.958 165 HG23 VAL 28 2HG2 VAL 28 4.203 -16.208 -3.912 166 HA PRO 29 HA PRO 29 7.386 -9.885 -3.988 167 HB2 PRO 29 1HB PRO 29 8.418 -9.316 -6.433 168 HB3 PRO 29 2HB PRO 29 9.352 -10.102 -5.155 169 HG2 PRO 29 1HG PRO 29 7.969 -11.320 -7.514 170 HG3 PRO 29 2HG PRO 29 9.573 -11.680 -6.850 171 HD2 PRO 29 1HD PRO 29 7.409 -13.231 -6.355 172 HD3 PRO 29 2HD PRO 29 8.718 -13.013 -5.175 173 H ALA 30 H ALA 30 5.563 -8.709 -3.938 174 HA ALA 30 HA ALA 30 4.145 -8.261 -6.482 175 HB1 ALA 30 3HB ALA 30 2.052 -8.316 -5.422 176 HB2 ALA 30 1HB ALA 30 2.926 -9.705 -4.776 177 HB3 ALA 30 2HB ALA 30 2.770 -8.236 -3.813 178 H GLU 31 H GLU 31 4.298 -6.220 -7.118 179 HA GLU 31 HA GLU 31 4.483 -4.116 -5.062 180 HB2 GLU 31 1HB GLU 31 5.782 -2.813 -6.790 181 HB3 GLU 31 2HB GLU 31 6.608 -4.214 -6.124 182 HG2 GLU 31 1HG GLU 31 6.048 -5.507 -8.108 183 HG3 GLU 31 2HG GLU 31 5.189 -4.120 -8.775 184 H PHE 32 H PHE 32 3.632 -2.014 -5.698 185 HA PHE 32 HA PHE 32 1.640 -2.115 -7.849 186 HB2 PHE 32 1HB PHE 32 0.073 -0.857 -6.281 187 HB3 PHE 32 2HB PHE 32 0.300 -2.572 -5.951 188 HD1 PHE 32 2HD PHE 32 1.628 -3.299 -4.028 189 HD2 PHE 32 1HD PHE 32 0.828 0.817 -4.756 190 HE1 PHE 32 2HE PHE 32 2.288 -2.767 -1.718 191 HE2 PHE 32 1HE PHE 32 1.487 1.357 -2.448 192 HZ PHE 32 HZ PHE 32 2.217 -0.436 -0.925 193 H SER 33 H SER 33 0.644 0.181 -8.113 194 HA SER 33 HA SER 33 2.856 2.124 -7.979 195 HB2 SER 33 1HB SER 33 0.624 2.059 -10.021 196 HB3 SER 33 2HB SER 33 2.047 3.101 -10.036 197 HG SER 33 HG SER 33 3.085 0.783 -9.932 198 H ILE 34 H ILE 34 2.500 4.054 -7.048 199 HA ILE 34 HA ILE 34 -0.191 4.551 -5.981 200 HB ILE 34 HB ILE 34 2.456 5.717 -5.112 201 HG12 ILE 34 1HG1 ILE 34 0.708 3.848 -3.527 202 HG13 ILE 34 2HG1 ILE 34 1.916 3.232 -4.649 203 HG21 ILE 34 1HG2 ILE 34 1.039 7.360 -4.436 204 HG22 ILE 34 2HG2 ILE 34 -0.357 6.286 -4.376 205 HG23 ILE 34 3HG2 ILE 34 0.832 6.258 -3.075 206 HD11 ILE 34 3HD1 ILE 34 2.683 3.339 -2.303 207 HD12 ILE 34 1HD1 ILE 34 3.677 4.282 -3.412 208 HD13 ILE 34 2HD1 ILE 34 2.514 5.092 -2.363 209 H TRP 35 H TRP 35 -1.367 6.205 -6.697 210 HA TRP 35 HA TRP 35 -0.114 8.091 -8.561 211 HB2 TRP 35 1HB TRP 35 -3.070 7.705 -8.078 212 HB3 TRP 35 2HB TRP 35 -2.295 8.500 -9.445 213 HD1 TRP 35 HD TRP 35 -3.511 5.155 -8.274 214 HE1 TRP 35 1HE TRP 35 -3.028 3.376 -10.069 215 HE3 TRP 35 3HE TRP 35 -0.433 7.881 -11.311 216 HZ2 TRP 35 2HZ TRP 35 -1.539 3.155 -12.456 217 HZ3 TRP 35 3HZ TRP 35 0.479 6.812 -13.331 218 HH2 TRP 35 HH TRP 35 -0.063 4.498 -13.890 219 H THR 36 H THR 36 -0.006 10.233 -8.175 220 HA THR 36 HA THR 36 -1.396 11.298 -5.812 221 HB THR 36 HB THR 36 0.602 12.636 -5.240 222 HG1 THR 36 1HG THR 36 2.386 12.524 -6.422 223 HG21 THR 36 3HG2 THR 36 1.813 10.898 -4.149 224 HG22 THR 36 1HG2 THR 36 1.297 9.704 -5.340 225 HG23 THR 36 2HG2 THR 36 0.126 10.387 -4.211 226 H ARG 37 H ARG 37 -1.997 11.488 -8.660 227 HA ARG 37 HA ARG 37 -1.192 13.924 -9.778 228 HB2 ARG 37 1HB ARG 37 -3.053 13.684 -11.288 229 HB3 ARG 37 2HB ARG 37 -2.353 12.096 -11.004 230 HG2 ARG 37 1HG ARG 37 -4.639 12.965 -9.314 231 HG3 ARG 37 2HG ARG 37 -4.949 12.467 -10.977 232 HD2 ARG 37 1HD ARG 37 -3.443 10.422 -10.306 233 HD3 ARG 37 2HD ARG 37 -3.926 10.876 -8.672 234 HE ARG 37 HE ARG 37 -5.594 9.715 -10.726 235 HH11 ARG 37 1HH1 ARG 37 -5.481 11.453 -7.712 236 HH12 ARG 37 2HH1 ARG 37 -7.080 10.988 -7.233 237 HH21 ARG 37 1HH2 ARG 37 -7.700 9.096 -10.107 238 HH22 ARG 37 2HH2 ARG 37 -8.341 9.646 -8.596 239 H GLU 38 H GLU 38 -3.206 13.299 -7.120 240 HA GLU 38 HA GLU 38 -4.305 16.031 -7.245 241 HB2 GLU 38 1HB GLU 38 -5.448 13.465 -6.224 242 HB3 GLU 38 2HB GLU 38 -5.934 14.972 -5.462 243 HG2 GLU 38 1HG GLU 38 -6.123 14.497 -8.421 244 HG3 GLU 38 2HG GLU 38 -7.428 14.126 -7.296 245 H ALA 39 H ALA 39 -1.694 15.444 -6.296 246 HA ALA 39 HA ALA 39 -1.958 16.478 -3.584 247 HB1 ALA 39 3HB ALA 39 -1.190 14.693 -2.506 248 HB2 ALA 39 1HB ALA 39 -1.399 13.784 -4.003 249 HB3 ALA 39 2HB ALA 39 0.160 14.519 -3.627 250 H GLY 40 H GLY 40 0.317 17.040 -2.712 251 HA2 GLY 40 1HA GLY 40 1.710 18.447 -4.878 252 HA3 GLY 40 2HA GLY 40 1.797 18.847 -3.169 253 H ALA 41 H ALA 41 4.115 18.914 -3.493 254 HA ALA 41 HA ALA 41 5.482 16.434 -4.083 255 HB1 ALA 41 3HB ALA 41 7.292 18.337 -3.046 256 HB2 ALA 41 1HB ALA 41 7.072 17.838 -4.724 257 HB3 ALA 41 2HB ALA 41 6.157 19.203 -4.082 258 H GLY 42 H GLY 42 5.235 14.933 -2.508 259 HA2 GLY 42 1HA GLY 42 6.381 15.584 0.107 260 HA3 GLY 42 2HA GLY 42 4.745 14.942 0.071 261 H GLY 43 H GLY 43 6.814 13.670 1.435 262 HA2 GLY 43 1HA GLY 43 7.924 11.569 -0.187 263 HA3 GLY 43 2HA GLY 43 8.014 11.696 1.564 264 H LEU 44 H LEU 44 7.675 9.299 1.232 265 HA LEU 44 HA LEU 44 4.885 8.721 1.733 266 HB2 LEU 44 1HB LEU 44 6.308 7.865 -0.728 267 HB3 LEU 44 2HB LEU 44 5.240 6.697 0.047 268 HG LEU 44 HG LEU 44 4.341 9.446 -0.793 269 HD11 LEU 44 1HD1 LEU 44 3.321 7.333 -2.436 270 HD12 LEU 44 2HD1 LEU 44 5.083 7.334 -2.483 271 HD13 LEU 44 3HD1 LEU 44 4.189 8.795 -2.906 272 HD21 LEU 44 3HD2 LEU 44 2.617 8.833 0.498 273 HD22 LEU 44 1HD2 LEU 44 3.120 7.143 0.533 274 HD23 LEU 44 2HD2 LEU 44 2.195 7.759 -0.838 275 H SER 45 H SER 45 4.673 7.153 3.215 276 HA SER 45 HA SER 45 7.041 5.499 3.804 277 HB2 SER 45 1HB SER 45 6.428 7.278 5.523 278 HB3 SER 45 2HB SER 45 4.972 6.336 5.838 279 HG SER 45 HG SER 45 6.445 5.593 7.271 280 H ILE 46 H ILE 46 6.775 3.351 3.872 281 HA ILE 46 HA ILE 46 4.049 2.268 4.025 282 HB ILE 46 HB ILE 46 6.136 1.398 2.022 283 HG12 ILE 46 1HG1 ILE 46 3.411 2.606 1.523 284 HG13 ILE 46 2HG1 ILE 46 4.901 3.545 1.537 285 HG21 ILE 46 1HG2 ILE 46 3.662 0.250 1.417 286 HG22 ILE 46 2HG2 ILE 46 5.099 -0.566 2.033 287 HG23 ILE 46 3HG2 ILE 46 3.874 0.028 3.153 288 HD11 ILE 46 3HD1 ILE 46 4.760 1.169 -0.233 289 HD12 ILE 46 1HD1 ILE 46 3.866 2.617 -0.695 290 HD13 ILE 46 2HD1 ILE 46 5.611 2.699 -0.451 291 H ALA 47 H ALA 47 3.869 0.696 5.479 292 HA ALA 47 HA ALA 47 6.247 -0.894 6.160 293 HB1 ALA 47 3HB ALA 47 4.326 0.270 8.171 294 HB2 ALA 47 1HB ALA 47 5.709 -0.767 8.524 295 HB3 ALA 47 2HB ALA 47 5.964 0.849 7.863 296 H VAL 48 H VAL 48 5.888 -3.019 6.151 297 HA VAL 48 HA VAL 48 3.108 -3.953 5.991 298 HB VAL 48 HB VAL 48 5.678 -5.320 5.182 299 HG11 VAL 48 1HG1 VAL 48 3.735 -6.805 4.057 300 HG12 VAL 48 2HG1 VAL 48 4.473 -7.179 5.616 301 HG13 VAL 48 3HG1 VAL 48 2.930 -6.326 5.551 302 HG21 VAL 48 3HG2 VAL 48 3.825 -3.563 3.815 303 HG22 VAL 48 1HG2 VAL 48 5.412 -4.143 3.309 304 HG23 VAL 48 2HG2 VAL 48 3.976 -5.120 2.999 305 H GLU 49 H GLU 49 2.233 -4.972 7.663 306 HA GLU 49 HA GLU 49 3.983 -6.425 9.521 307 HB2 GLU 49 1HB GLU 49 1.739 -4.560 10.314 308 HB3 GLU 49 2HB GLU 49 2.640 -5.588 11.419 309 HG2 GLU 49 1HG GLU 49 4.607 -4.347 11.150 310 HG3 GLU 49 2HG GLU 49 3.998 -3.536 9.708 311 H GLY 50 H GLY 50 3.334 -8.449 9.844 312 HA2 GLY 50 1HA GLY 50 0.489 -9.095 9.822 313 HA3 GLY 50 2HA GLY 50 1.475 -9.868 8.589 314 HA PRO 51 HA PRO 51 1.445 -12.694 12.224 315 HB2 PRO 51 1HB PRO 51 1.271 -14.957 10.735 316 HB3 PRO 51 2HB PRO 51 -0.143 -14.012 11.215 317 HG2 PRO 51 1HG PRO 51 1.333 -14.024 8.611 318 HG3 PRO 51 2HG PRO 51 -0.416 -14.006 8.905 319 HD2 PRO 51 1HD PRO 51 0.975 -11.774 8.258 320 HD3 PRO 51 2HD PRO 51 -0.451 -11.738 9.315 321 H SER 52 H SER 52 3.431 -12.196 9.487 322 HA SER 52 HA SER 52 5.707 -13.328 10.886 323 HB2 SER 52 1HB SER 52 4.924 -14.276 8.118 324 HB3 SER 52 2HB SER 52 6.444 -14.656 8.929 325 HG SER 52 HG SER 52 4.538 -16.190 9.068 326 H LYS 53 H LYS 53 7.735 -12.605 10.061 327 HA LYS 53 HA LYS 53 7.834 -9.946 9.303 328 HB2 LYS 53 1HB LYS 53 9.717 -11.199 10.307 329 HB3 LYS 53 2HB LYS 53 9.941 -12.054 8.786 330 HG2 LYS 53 1HG LYS 53 11.566 -10.348 8.844 331 HG3 LYS 53 2HG LYS 53 10.325 -9.813 7.708 332 HD2 LYS 53 1HD LYS 53 9.347 -8.386 9.415 333 HD3 LYS 53 2HD LYS 53 10.526 -8.959 10.596 334 HE2 LYS 53 1HE LYS 53 12.325 -8.063 9.112 335 HE3 LYS 53 2HE LYS 53 11.067 -7.352 8.104 336 HZ1 LYS 53 3HZ LYS 53 10.435 -5.898 9.796 337 HZ2 LYS 53 1HZ LYS 53 12.126 -5.884 9.865 338 HZ3 LYS 53 2HZ LYS 53 11.241 -6.775 10.998 339 H ALA 54 H ALA 54 8.049 -8.847 7.394 340 HA ALA 54 HA ALA 54 7.829 -10.429 4.919 341 HB1 ALA 54 3HB ALA 54 6.104 -9.165 4.107 342 HB2 ALA 54 1HB ALA 54 5.730 -9.126 5.830 343 HB3 ALA 54 2HB ALA 54 6.538 -7.753 5.070 344 H GLU 55 H GLU 55 8.912 -9.660 3.117 345 HA GLU 55 HA GLU 55 11.104 -7.854 3.688 346 HB2 GLU 55 1HB GLU 55 11.375 -10.001 2.403 347 HB3 GLU 55 2HB GLU 55 10.471 -9.258 1.091 348 HG2 GLU 55 1HG GLU 55 12.173 -7.536 0.872 349 HG3 GLU 55 2HG GLU 55 13.072 -8.243 2.212 350 H ILE 56 H ILE 56 11.532 -5.925 2.621 351 HA ILE 56 HA ILE 56 9.458 -4.859 0.849 352 HB ILE 56 HB ILE 56 10.484 -3.381 3.275 353 HG12 ILE 56 1HG1 ILE 56 7.604 -4.024 2.800 354 HG13 ILE 56 2HG1 ILE 56 8.658 -5.290 3.423 355 HG21 ILE 56 1HG2 ILE 56 8.201 -2.257 1.876 356 HG22 ILE 56 2HG2 ILE 56 9.692 -1.485 2.408 357 HG23 ILE 56 3HG2 ILE 56 9.643 -2.337 0.865 358 HD11 ILE 56 3HD1 ILE 56 7.340 -3.833 5.077 359 HD12 ILE 56 1HD1 ILE 56 9.040 -4.165 5.407 360 HD13 ILE 56 2HD1 ILE 56 8.560 -2.607 4.734 361 H THR 57 H THR 57 10.216 -3.572 -0.747 362 HA THR 57 HA THR 57 13.037 -2.736 -0.614 363 HB THR 57 HB THR 57 11.696 -3.762 -3.120 364 HG1 THR 57 1HG THR 57 12.096 -5.666 -2.293 365 HG21 THR 57 3HG2 THR 57 14.353 -3.998 -3.522 366 HG22 THR 57 1HG2 THR 57 14.325 -2.584 -2.469 367 HG23 THR 57 2HG2 THR 57 13.421 -2.574 -3.983 368 H PHE 58 H PHE 58 13.036 -0.588 -0.565 369 HA PHE 58 HA PHE 58 11.178 0.848 -2.348 370 HB2 PHE 58 1HB PHE 58 10.970 1.036 0.271 371 HB3 PHE 58 2HB PHE 58 12.323 2.148 0.093 372 HD1 PHE 58 2HD PHE 58 11.811 3.677 -2.228 373 HD2 PHE 58 1HD PHE 58 9.019 2.180 0.614 374 HE1 PHE 58 2HE PHE 58 10.249 5.484 -2.817 375 HE2 PHE 58 1HE PHE 58 7.451 3.984 0.029 376 HZ PHE 58 HZ PHE 58 8.065 5.639 -1.688 377 H ASP 59 H ASP 59 12.311 1.511 -4.053 378 HA ASP 59 HA ASP 59 14.871 2.879 -3.562 379 HB2 ASP 59 1HB ASP 59 14.214 1.041 -5.875 380 HB3 ASP 59 2HB ASP 59 15.688 1.995 -5.728 381 H ASP 60 H ASP 60 14.430 4.966 -3.877 382 HA ASP 60 HA ASP 60 12.813 5.710 -6.226 383 HB2 ASP 60 1HB ASP 60 12.606 7.938 -4.896 384 HB3 ASP 60 2HB ASP 60 11.628 6.556 -4.410 385 H HIS 61 H HIS 61 14.303 6.013 -7.799 386 HA HIS 61 HA HIS 61 16.857 7.188 -7.360 387 HB2 HIS 61 1HB HIS 61 16.578 5.675 -9.210 388 HB3 HIS 61 2HB HIS 61 15.286 6.662 -9.888 389 HD1 HIS 61 1HD HIS 61 18.796 7.637 -8.778 390 HD2 HIS 61 2HD HIS 61 16.342 7.740 -12.130 391 HE1 HIS 61 1HE HIS 61 20.113 8.858 -10.539 392 H LYS 62 H LYS 62 13.824 8.396 -8.756 393 HA LYS 62 HA LYS 62 14.943 11.111 -8.746 394 HB2 LYS 62 1HB LYS 62 12.594 9.874 -10.171 395 HB3 LYS 62 2HB LYS 62 12.813 11.616 -10.077 396 HG2 LYS 62 1HG LYS 62 15.046 9.918 -11.081 397 HG3 LYS 62 2HG LYS 62 13.681 10.280 -12.140 398 HD2 LYS 62 1HD LYS 62 15.105 12.460 -10.652 399 HD3 LYS 62 2HD LYS 62 15.732 11.846 -12.183 400 HE2 LYS 62 1HE LYS 62 13.387 12.275 -13.105 401 HE3 LYS 62 2HE LYS 62 13.115 13.219 -11.642 402 HZ1 LYS 62 3HZ LYS 62 13.852 14.594 -13.505 403 HZ2 LYS 62 1HZ LYS 62 15.288 13.705 -13.607 404 HZ3 LYS 62 2HZ LYS 62 14.965 14.634 -12.231 405 H ASN 63 H ASN 63 12.847 12.717 -8.501 406 HA ASN 63 HA ASN 63 12.088 12.363 -5.728 407 HB2 ASN 63 1HB ASN 63 11.014 14.663 -6.121 408 HB3 ASN 63 2HB ASN 63 12.769 14.564 -6.222 409 HD21 ASN 63 1HD2 ASN 63 9.806 14.870 -8.032 410 HD22 ASN 63 2HD2 ASN 63 10.527 15.457 -9.489 411 H GLY 64 H GLY 64 10.928 10.616 -7.808 412 HA2 GLY 64 1HA GLY 64 8.103 11.151 -7.175 413 HA3 GLY 64 2HA GLY 64 8.569 10.795 -8.832 414 H SER 65 H SER 65 7.522 9.493 -5.930 415 HA SER 65 HA SER 65 8.610 7.102 -5.477 416 HB2 SER 65 1HB SER 65 6.343 8.110 -4.646 417 HB3 SER 65 2HB SER 65 5.644 7.124 -5.930 418 HG SER 65 HG SER 65 7.116 5.431 -4.833 419 H CYS 66 H CYS 66 9.420 5.614 -6.786 420 HA CYS 66 HA CYS 66 8.417 5.253 -9.465 421 HB2 CYS 66 1HB CYS 66 10.595 3.802 -7.947 422 HB3 CYS 66 2HB CYS 66 10.238 3.577 -9.654 423 HG CYS 66 HG CYS 66 12.546 5.118 -9.455 424 H GLY 67 H GLY 67 8.812 3.121 -6.630 425 HA2 GLY 67 1HA GLY 67 6.285 1.924 -6.859 426 HA3 GLY 67 2HA GLY 67 7.442 0.922 -7.723 427 H VAL 68 H VAL 68 6.078 -0.101 -5.582 428 HA VAL 68 HA VAL 68 8.256 -0.471 -3.649 429 HB VAL 68 HB VAL 68 5.359 -0.042 -2.907 430 HG11 VAL 68 1HG1 VAL 68 7.627 -1.252 -1.474 431 HG12 VAL 68 2HG1 VAL 68 6.702 -0.057 -0.564 432 HG13 VAL 68 3HG1 VAL 68 5.892 -1.468 -1.246 433 HG21 VAL 68 3HG2 VAL 68 5.911 2.107 -2.762 434 HG22 VAL 68 1HG2 VAL 68 7.054 1.684 -1.488 435 HG23 VAL 68 2HG2 VAL 68 7.590 1.750 -3.167 436 H SER 69 H SER 69 8.724 -2.547 -3.374 437 HA SER 69 HA SER 69 6.661 -4.547 -4.034 438 HB2 SER 69 1HB SER 69 8.356 -5.994 -4.899 439 HB3 SER 69 2HB SER 69 8.634 -4.407 -5.616 440 HG SER 69 HG SER 69 10.242 -5.876 -3.993 441 H TYR 70 H TYR 70 6.550 -6.423 -2.766 442 HA TYR 70 HA TYR 70 8.240 -6.631 -0.412 443 HB2 TYR 70 1HB TYR 70 6.487 -6.520 1.195 444 HB3 TYR 70 2HB TYR 70 6.306 -5.100 0.169 445 HD1 TYR 70 2HD TYR 70 4.553 -5.159 -1.666 446 HD2 TYR 70 1HD TYR 70 4.728 -8.059 1.444 447 HE1 TYR 70 2HE TYR 70 2.219 -5.784 -2.124 448 HE2 TYR 70 1HE TYR 70 2.395 -8.692 0.993 449 HH TYR 70 HH TYR 70 0.398 -6.882 -1.238 450 H ILE 71 H ILE 71 8.049 -8.665 0.674 451 HA ILE 71 HA ILE 71 6.512 -10.720 -0.751 452 HB ILE 71 HB ILE 71 9.454 -10.874 -0.104 453 HG12 ILE 71 1HG1 ILE 71 8.040 -11.329 -2.734 454 HG13 ILE 71 2HG1 ILE 71 8.679 -9.762 -2.250 455 HG21 ILE 71 1HG2 ILE 71 7.448 -12.975 -0.314 456 HG22 ILE 71 2HG2 ILE 71 8.804 -13.197 -1.419 457 HG23 ILE 71 3HG2 ILE 71 9.094 -13.039 0.313 458 HD11 ILE 71 3HD1 ILE 71 10.855 -11.289 -1.874 459 HD12 ILE 71 1HD1 ILE 71 10.076 -12.173 -3.186 460 HD13 ILE 71 2HD1 ILE 71 10.479 -10.467 -3.388 461 H ALA 72 H ALA 72 5.508 -12.117 0.560 462 HA ALA 72 HA ALA 72 6.180 -12.025 3.424 463 HB1 ALA 72 3HB ALA 72 3.588 -12.587 2.006 464 HB2 ALA 72 1HB ALA 72 3.835 -12.925 3.720 465 HB3 ALA 72 2HB ALA 72 3.963 -11.271 3.119 466 H GLN 73 H GLN 73 7.659 -13.641 3.658 467 HA GLN 73 HA GLN 73 7.946 -16.009 2.380 468 HB2 GLN 73 1HB GLN 73 8.223 -15.611 5.364 469 HB3 GLN 73 2HB GLN 73 8.950 -16.912 4.431 470 HG2 GLN 73 1HG GLN 73 9.630 -14.000 4.445 471 HG3 GLN 73 2HG GLN 73 10.677 -15.388 4.735 472 HE21 GLN 73 1HE2 GLN 73 10.891 -13.124 2.849 473 HE22 GLN 73 2HE2 GLN 73 11.074 -13.843 1.289 474 H GLU 74 H GLU 74 5.668 -15.339 5.001 475 HA GLU 74 HA GLU 74 4.399 -17.944 4.466 476 HB2 GLU 74 1HB GLU 74 4.279 -16.314 7.010 477 HB3 GLU 74 2HB GLU 74 3.547 -17.892 6.752 478 HG2 GLU 74 1HG GLU 74 6.503 -17.435 6.515 479 HG3 GLU 74 2HG GLU 74 5.721 -17.829 8.045 480 HA PRO 75 HA PRO 75 0.835 -15.793 3.042 481 HB2 PRO 75 1HB PRO 75 -1.033 -17.716 3.472 482 HB3 PRO 75 2HB PRO 75 0.155 -17.806 2.166 483 HG2 PRO 75 1HG PRO 75 0.185 -19.132 4.850 484 HG3 PRO 75 2HG PRO 75 0.606 -19.805 3.265 485 HD2 PRO 75 1HD PRO 75 2.476 -18.974 5.039 486 HD3 PRO 75 2HD PRO 75 2.708 -18.859 3.282 487 H GLY 76 H GLY 76 -0.972 -14.676 3.786 488 HA2 GLY 76 1HA GLY 76 -2.561 -14.968 5.925 489 HA3 GLY 76 2HA GLY 76 -1.093 -14.353 6.670 490 H ASN 77 H ASN 77 -3.050 -12.775 7.163 491 HA ASN 77 HA ASN 77 -3.447 -10.818 5.055 492 HB2 ASN 77 1HB ASN 77 -4.435 -10.792 7.914 493 HB3 ASN 77 2HB ASN 77 -4.974 -9.732 6.615 494 HD21 ASN 77 1HD2 ASN 77 -7.001 -10.277 6.218 495 HD22 ASN 77 2HD2 ASN 77 -7.574 -11.881 5.922 496 H TYR 78 H TYR 78 -1.691 -9.586 4.696 497 HA TYR 78 HA TYR 78 -0.158 -8.558 6.958 498 HB2 TYR 78 1HB TYR 78 0.319 -8.605 3.985 499 HB3 TYR 78 2HB TYR 78 1.312 -7.638 5.069 500 HD1 TYR 78 2HD TYR 78 0.150 -11.129 4.497 501 HD2 TYR 78 1HD TYR 78 3.154 -8.596 6.127 502 HE1 TYR 78 2HE TYR 78 1.549 -13.098 4.960 503 HE2 TYR 78 1HE TYR 78 4.563 -10.558 6.593 504 HH TYR 78 HH TYR 78 3.421 -13.846 5.901 505 H GLU 79 H GLU 79 -0.786 -6.711 7.841 506 HA GLU 79 HA GLU 79 -2.417 -4.829 6.366 507 HB2 GLU 79 1HB GLU 79 -2.523 -5.536 8.916 508 HB3 GLU 79 2HB GLU 79 -1.357 -4.232 9.092 509 HG2 GLU 79 1HG GLU 79 -3.049 -2.806 7.803 510 HG3 GLU 79 2HG GLU 79 -4.198 -4.093 8.161 511 H VAL 80 H VAL 80 -1.316 -3.659 4.905 512 HA VAL 80 HA VAL 80 1.340 -2.651 5.489 513 HB VAL 80 HB VAL 80 -0.361 -2.107 3.054 514 HG11 VAL 80 1HG1 VAL 80 1.812 -0.759 3.762 515 HG12 VAL 80 2HG1 VAL 80 2.606 -2.143 3.007 516 HG13 VAL 80 3HG1 VAL 80 1.468 -1.163 2.081 517 HG21 VAL 80 3HG2 VAL 80 -0.068 -4.229 2.463 518 HG22 VAL 80 1HG2 VAL 80 1.673 -3.947 2.447 519 HG23 VAL 80 2HG2 VAL 80 0.888 -4.541 3.911 520 H SER 81 H SER 81 1.469 -0.936 6.790 521 HA SER 81 HA SER 81 -0.619 1.071 6.839 522 HB2 SER 81 1HB SER 81 0.442 0.322 8.940 523 HB3 SER 81 2HB SER 81 1.992 0.940 8.369 524 HG SER 81 HG SER 81 -0.319 2.558 8.627 525 H ILE 82 H ILE 82 -0.623 2.858 5.658 526 HA ILE 82 HA ILE 82 1.926 3.780 4.501 527 HB ILE 82 HB ILE 82 -0.837 4.048 3.310 528 HG12 ILE 82 1HG1 ILE 82 1.524 2.357 2.458 529 HG13 ILE 82 2HG1 ILE 82 0.042 1.755 3.193 530 HG21 ILE 82 1HG2 ILE 82 0.012 5.368 1.674 531 HG22 ILE 82 2HG2 ILE 82 1.143 5.804 2.954 532 HG23 ILE 82 3HG2 ILE 82 1.604 4.613 1.737 533 HD11 ILE 82 3HD1 ILE 82 -1.155 1.973 1.283 534 HD12 ILE 82 1HD1 ILE 82 -0.217 3.356 0.718 535 HD13 ILE 82 2HD1 ILE 82 0.445 1.728 0.580 536 H LYS 83 H LYS 83 2.544 5.799 4.938 537 HA LYS 83 HA LYS 83 0.540 7.689 5.978 538 HB2 LYS 83 1HB LYS 83 3.128 6.834 7.172 539 HB3 LYS 83 2HB LYS 83 2.688 8.530 7.321 540 HG2 LYS 83 1HG LYS 83 0.401 7.513 8.142 541 HG3 LYS 83 2HG LYS 83 1.425 6.126 8.522 542 HD2 LYS 83 1HD LYS 83 2.097 8.922 9.406 543 HD3 LYS 83 2HD LYS 83 1.089 7.839 10.369 544 HE2 LYS 83 1HE LYS 83 3.752 6.915 9.378 545 HE3 LYS 83 2HE LYS 83 3.658 7.958 10.795 546 HZ1 LYS 83 3HZ LYS 83 1.788 6.056 11.286 547 HZ2 LYS 83 1HZ LYS 83 3.357 6.077 11.922 548 HZ3 LYS 83 2HZ LYS 83 3.018 5.174 10.532 549 H PHE 84 H PHE 84 0.470 9.521 4.864 550 HA PHE 84 HA PHE 84 2.675 10.151 3.046 551 HB2 PHE 84 1HB PHE 84 0.496 10.053 2.002 552 HB3 PHE 84 2HB PHE 84 -0.165 11.177 3.184 553 HD1 PHE 84 2HD PHE 84 2.327 10.895 0.451 554 HD2 PHE 84 1HD PHE 84 -0.115 13.473 2.799 555 HE1 PHE 84 2HE PHE 84 2.901 12.777 -1.025 556 HE2 PHE 84 1HE PHE 84 0.454 15.359 1.324 557 HZ PHE 84 HZ PHE 84 1.965 15.013 -0.589 558 H ASN 85 H ASN 85 4.193 11.403 3.921 559 HA ASN 85 HA ASN 85 5.206 13.188 4.902 560 HB2 ASN 85 1HB ASN 85 2.458 14.451 4.815 561 HB3 ASN 85 2HB ASN 85 3.980 15.298 5.074 562 HD21 ASN 85 1HD2 ASN 85 3.596 16.602 3.272 563 HD22 ASN 85 2HD2 ASN 85 3.791 16.007 1.662 564 H ASP 86 H ASP 86 4.181 11.058 6.504 565 HA ASP 86 HA ASP 86 4.120 10.541 8.727 566 HB2 ASP 86 1HB ASP 86 5.562 12.745 8.814 567 HB3 ASP 86 2HB ASP 86 4.104 13.423 9.530 568 H GLU 87 H GLU 87 1.767 11.050 7.109 569 HA GLU 87 HA GLU 87 -0.136 11.549 9.290 570 HB2 GLU 87 1HB GLU 87 -0.003 12.882 6.629 571 HB3 GLU 87 2HB GLU 87 -1.593 12.500 7.275 572 HG2 GLU 87 1HG GLU 87 -0.972 13.733 9.347 573 HG3 GLU 87 2HG GLU 87 0.516 14.229 8.542 574 H HIS 88 H HIS 88 -1.939 10.261 9.303 575 HA HIS 88 HA HIS 88 -1.815 7.904 7.611 576 HB2 HIS 88 1HB HIS 88 -3.144 8.638 10.159 577 HB3 HIS 88 2HB HIS 88 -3.972 7.449 9.157 578 HD2 HIS 88 2HD HIS 88 -0.732 7.772 11.304 579 HE1 HIS 88 1HE HIS 88 -1.130 3.735 10.059 580 HE2 HIS 88 2HE HIS 88 0.090 5.334 11.576 581 H ILE 89 H ILE 89 -2.877 7.778 5.758 582 HA ILE 89 HA ILE 89 -4.907 9.696 5.064 583 HB ILE 89 HB ILE 89 -5.034 8.078 2.981 584 HG12 ILE 89 1HG1 ILE 89 -2.240 7.501 3.962 585 HG13 ILE 89 2HG1 ILE 89 -3.578 6.392 4.238 586 HG21 ILE 89 1HG2 ILE 89 -3.777 9.623 1.913 587 HG22 ILE 89 2HG2 ILE 89 -3.888 10.456 3.462 588 HG23 ILE 89 3HG2 ILE 89 -2.454 9.508 3.072 589 HD11 ILE 89 3HD1 ILE 89 -3.500 5.617 2.154 590 HD12 ILE 89 1HD1 ILE 89 -3.331 7.230 1.462 591 HD13 ILE 89 2HD1 ILE 89 -1.913 6.381 2.075 592 HA PRO 90 HA PRO 90 -8.550 7.429 5.989 593 HB2 PRO 90 1HB PRO 90 -10.143 8.015 3.872 594 HB3 PRO 90 2HB PRO 90 -9.746 9.192 5.128 595 HG2 PRO 90 1HG PRO 90 -8.546 8.848 2.408 596 HG3 PRO 90 2HG PRO 90 -9.004 10.341 3.249 597 HD2 PRO 90 1HD PRO 90 -6.445 9.466 3.123 598 HD3 PRO 90 2HD PRO 90 -7.079 10.367 4.515 599 H GLU 91 H GLU 91 -6.484 6.449 3.631 600 HA GLU 91 HA GLU 91 -8.178 4.158 2.875 601 HB2 GLU 91 1HB GLU 91 -5.891 5.452 1.385 602 HB3 GLU 91 2HB GLU 91 -6.622 3.924 0.915 603 HG2 GLU 91 1HG GLU 91 -8.049 6.568 1.088 604 HG3 GLU 91 2HG GLU 91 -7.482 5.798 -0.392 605 H SER 92 H SER 92 -5.712 5.050 4.857 606 HA SER 92 HA SER 92 -4.563 2.336 4.835 607 HB2 SER 92 1HB SER 92 -2.420 3.129 5.090 608 HB3 SER 92 2HB SER 92 -3.103 4.454 4.148 609 HG SER 92 HG SER 92 -2.206 4.425 6.730 610 HA PRO 93 HA PRO 93 -2.762 1.552 6.216 611 HB2 PRO 93 1HB PRO 93 -3.074 -0.779 7.573 612 HB3 PRO 93 2HB PRO 93 -2.146 0.585 8.207 613 HG2 PRO 93 1HG PRO 93 -4.955 -0.245 8.824 614 HG3 PRO 93 2HG PRO 93 -3.682 0.304 9.930 615 HD2 PRO 93 1HD PRO 93 -5.672 1.930 9.077 616 HD3 PRO 93 2HD PRO 93 -4.039 2.527 9.439 617 H TYR 94 H TYR 94 -2.773 -0.601 5.075 618 HA TYR 94 HA TYR 94 -5.449 -1.103 3.952 619 HB2 TYR 94 1HB TYR 94 -2.722 -1.425 2.686 620 HB3 TYR 94 2HB TYR 94 -4.236 -1.905 1.926 621 HD1 TYR 94 2HD TYR 94 -2.517 1.062 3.387 622 HD2 TYR 94 1HD TYR 94 -5.398 -0.381 0.608 623 HE1 TYR 94 2HE TYR 94 -2.776 3.336 2.484 624 HE2 TYR 94 1HE TYR 94 -5.664 1.888 -0.304 625 HH TYR 94 HH TYR 94 -3.916 4.085 -0.308 626 H LEU 95 H LEU 95 -6.067 -3.246 3.480 627 HA LEU 95 HA LEU 95 -4.543 -5.287 4.960 628 HB2 LEU 95 1HB LEU 95 -6.750 -4.689 5.930 629 HB3 LEU 95 2HB LEU 95 -7.510 -5.229 4.434 630 HG LEU 95 HG LEU 95 -6.889 -7.499 4.854 631 HD11 LEU 95 1HD1 LEU 95 -5.746 -7.940 7.152 632 HD12 LEU 95 2HD1 LEU 95 -5.156 -6.290 6.963 633 HD13 LEU 95 3HD1 LEU 95 -4.768 -7.509 5.750 634 HD21 LEU 95 3HD2 LEU 95 -7.962 -6.182 7.348 635 HD22 LEU 95 1HD2 LEU 95 -8.034 -7.911 7.002 636 HD23 LEU 95 2HD2 LEU 95 -8.901 -6.770 5.975 637 H VAL 96 H VAL 96 -3.518 -6.598 3.607 638 HA VAL 96 HA VAL 96 -4.886 -7.397 1.120 639 HB VAL 96 HB VAL 96 -1.897 -7.335 1.533 640 HG11 VAL 96 1HG1 VAL 96 -2.044 -7.326 -1.040 641 HG12 VAL 96 2HG1 VAL 96 -2.347 -8.841 -0.185 642 HG13 VAL 96 3HG1 VAL 96 -3.698 -7.886 -0.798 643 HG21 VAL 96 3HG2 VAL 96 -2.224 -5.358 -0.186 644 HG22 VAL 96 1HG2 VAL 96 -3.790 -5.230 0.617 645 HG23 VAL 96 2HG2 VAL 96 -2.303 -5.082 1.554 646 HA PRO 97 HA PRO 97 -4.705 -11.337 3.310 647 HB2 PRO 97 1HB PRO 97 -6.453 -12.586 1.650 648 HB3 PRO 97 2HB PRO 97 -6.968 -11.511 2.955 649 HG2 PRO 97 1HG PRO 97 -6.687 -10.941 0.030 650 HG3 PRO 97 2HG PRO 97 -7.982 -10.465 1.143 651 HD2 PRO 97 1HD PRO 97 -6.010 -8.769 0.394 652 HD3 PRO 97 2HD PRO 97 -6.774 -8.698 1.995 653 H VAL 98 H VAL 98 -2.639 -12.027 2.829 654 HA VAL 98 HA VAL 98 -1.945 -12.830 0.132 655 HB VAL 98 HB VAL 98 -0.348 -13.096 2.683 656 HG11 VAL 98 1HG1 VAL 98 0.928 -14.431 1.423 657 HG12 VAL 98 2HG1 VAL 98 0.108 -13.956 -0.066 658 HG13 VAL 98 3HG1 VAL 98 1.412 -12.959 0.581 659 HG21 VAL 98 3HG2 VAL 98 0.910 -11.151 1.409 660 HG22 VAL 98 1HG2 VAL 98 -0.695 -10.886 0.727 661 HG23 VAL 98 2HG2 VAL 98 -0.457 -10.823 2.473 662 H ILE 99 H ILE 99 -1.705 -14.888 -0.611 663 HA ILE 99 HA ILE 99 -2.300 -17.085 1.254 664 HB ILE 99 HB ILE 99 -3.595 -18.215 -0.503 665 HG12 ILE 99 1HG1 ILE 99 -3.655 -15.629 -2.035 666 HG13 ILE 99 2HG1 ILE 99 -2.401 -16.826 -2.345 667 HG21 ILE 99 1HG2 ILE 99 -5.292 -17.314 0.611 668 HG22 ILE 99 2HG2 ILE 99 -4.371 -15.847 0.930 669 HG23 ILE 99 3HG2 ILE 99 -5.298 -15.998 -0.563 670 HD11 ILE 99 3HD1 ILE 99 -3.867 -17.575 -3.862 671 HD12 ILE 99 1HD1 ILE 99 -4.598 -18.378 -2.472 672 HD13 ILE 99 2HD1 ILE 99 -5.248 -16.842 -3.047 673 H ALA 100 H ALA 100 -1.477 -19.163 0.618 674 HA ALA 100 HA ALA 100 1.109 -18.968 -0.632 675 HB1 ALA 100 3HB ALA 100 0.297 -20.447 1.396 676 HB2 ALA 100 1HB ALA 100 -0.067 -21.597 0.109 677 HB3 ALA 100 2HB ALA 100 1.578 -20.995 0.314 678 HA PRO 101 HA PRO 101 -0.585 -19.923 -4.666 679 HB2 PRO 101 1HB PRO 101 1.774 -19.677 -5.987 680 HB3 PRO 101 2HB PRO 101 0.806 -18.287 -5.481 681 HG2 PRO 101 1HG PRO 101 3.212 -19.496 -4.173 682 HG3 PRO 101 2HG PRO 101 2.817 -17.786 -4.426 683 HD2 PRO 101 1HD PRO 101 2.442 -19.032 -2.051 684 HD3 PRO 101 2HD PRO 101 1.392 -17.717 -2.616 685 H SER 102 H SER 102 -1.038 -21.966 -5.173 686 HA SER 102 HA SER 102 0.118 -24.263 -4.332 687 HB2 SER 102 1HB SER 102 -1.046 -23.842 -7.096 688 HB3 SER 102 2HB SER 102 -0.869 -25.392 -6.272 689 HG SER 102 HG SER 102 -2.660 -24.996 -5.267 690 H ASP 103 H ASP 103 1.776 -25.607 -4.912 691 HA ASP 103 HA ASP 103 4.024 -24.426 -6.196 692 HB2 ASP 103 1HB ASP 103 4.472 -25.966 -4.439 693 HB3 ASP 103 2HB ASP 103 3.468 -27.210 -5.177 694 H ASP 104 H ASP 104 1.957 -27.196 -7.065 695 HA ASP 104 HA ASP 104 3.123 -27.375 -9.694 696 HB2 ASP 104 1HB ASP 104 1.054 -28.876 -8.161 697 HB3 ASP 104 2HB ASP 104 1.021 -28.992 -9.919 698 H ALA 105 H ALA 105 2.589 -26.091 -11.320 699 HA ALA 105 HA ALA 105 0.813 -24.082 -11.441 700 HB1 ALA 105 3HB ALA 105 2.487 -25.011 -13.226 701 HB2 ALA 105 1HB ALA 105 1.038 -25.764 -13.893 702 HB3 ALA 105 2HB ALA 105 1.119 -24.011 -13.717 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -15.486 37.000 -6.891 2 HA2 GLY 1 1HA GLY 1 -13.107 37.755 -8.334 3 HA3 GLY 1 2HA GLY 1 -12.969 37.974 -6.596 4 H SER 2 H SER 2 -13.975 35.911 -5.404 5 HA SER 2 HA SER 2 -13.377 33.417 -6.718 6 HB2 SER 2 1HB SER 2 -11.637 34.350 -4.422 7 HB3 SER 2 2HB SER 2 -11.603 32.741 -5.141 8 HG SER 2 HG SER 2 -10.941 35.201 -6.391 9 H SER 3 H SER 3 -14.441 31.743 -5.800 10 HA SER 3 HA SER 3 -16.416 32.299 -3.839 11 HB2 SER 3 1HB SER 3 -16.910 29.866 -3.982 12 HB3 SER 3 2HB SER 3 -16.823 30.635 -5.567 13 HG SER 3 HG SER 3 -15.337 28.618 -4.565 14 H GLY 4 H GLY 4 -13.558 30.162 -3.760 15 HA2 GLY 4 1HA GLY 4 -13.112 30.832 -0.976 16 HA3 GLY 4 2HA GLY 4 -13.606 29.169 -1.259 17 H SER 5 H SER 5 -12.271 28.610 -3.616 18 HA SER 5 HA SER 5 -10.270 27.560 -4.083 19 HB2 SER 5 1HB SER 5 -8.507 29.214 -4.637 20 HB3 SER 5 2HB SER 5 -10.087 29.691 -5.257 21 HG SER 5 HG SER 5 -9.043 31.439 -4.246 22 H SER 6 H SER 6 -10.838 27.311 -1.349 23 HA SER 6 HA SER 6 -8.211 27.696 -0.082 24 HB2 SER 6 1HB SER 6 -9.880 28.758 1.236 25 HB3 SER 6 2HB SER 6 -10.979 27.387 1.083 26 HG SER 6 HG SER 6 -10.004 26.439 2.688 27 H GLY 7 H GLY 7 -7.031 25.986 0.575 28 HA2 GLY 7 1HA GLY 7 -6.997 23.713 1.498 29 HA3 GLY 7 2HA GLY 7 -8.286 23.318 0.373 30 H GLU 8 H GLU 8 -4.869 23.823 0.769 31 HA GLU 8 HA GLU 8 -4.148 23.626 -1.969 32 HB2 GLU 8 1HB GLU 8 -2.706 23.457 0.634 33 HB3 GLU 8 2HB GLU 8 -1.898 22.835 -0.798 34 HG2 GLU 8 1HG GLU 8 -2.911 25.633 -0.362 35 HG3 GLU 8 2HG GLU 8 -1.230 25.106 -0.438 36 H GLY 9 H GLY 9 -4.053 21.249 0.690 37 HA2 GLY 9 1HA GLY 9 -5.102 19.052 -0.273 38 HA3 GLY 9 2HA GLY 9 -3.663 19.114 -1.280 39 H GLY 10 H GLY 10 -4.015 16.917 0.234 40 HA2 GLY 10 1HA GLY 10 -1.658 16.889 1.827 41 HA3 GLY 10 2HA GLY 10 -3.092 16.895 2.845 42 H ALA 11 H ALA 11 -2.964 14.858 3.662 43 HA ALA 11 HA ALA 11 -2.276 12.557 2.186 44 HB1 ALA 11 3HB ALA 11 -4.055 12.152 4.489 45 HB2 ALA 11 1HB ALA 11 -2.467 11.467 4.142 46 HB3 ALA 11 2HB ALA 11 -2.599 13.091 4.820 47 H HIS 12 H HIS 12 -5.472 13.630 3.361 48 HA HIS 12 HA HIS 12 -7.140 11.772 2.389 49 HB2 HIS 12 1HB HIS 12 -8.817 13.544 1.999 50 HB3 HIS 12 2HB HIS 12 -7.951 13.774 3.515 51 HD1 HIS 12 1HD HIS 12 -5.838 15.550 3.259 52 HD2 HIS 12 2HD HIS 12 -8.922 15.778 0.484 53 HE1 HIS 12 1HE HIS 12 -5.649 17.837 2.229 54 H LYS 13 H LYS 13 -5.742 14.383 0.428 55 HA LYS 13 HA LYS 13 -6.980 13.789 -1.991 56 HB2 LYS 13 1HB LYS 13 -4.246 14.950 -1.437 57 HB3 LYS 13 2HB LYS 13 -4.977 14.895 -3.037 58 HG2 LYS 13 1HG LYS 13 -6.445 16.175 -0.774 59 HG3 LYS 13 2HG LYS 13 -5.154 17.049 -1.604 60 HD2 LYS 13 1HD LYS 13 -7.064 17.685 -2.771 61 HD3 LYS 13 2HD LYS 13 -6.400 16.385 -3.765 62 HE2 LYS 13 1HE LYS 13 -8.076 14.927 -3.218 63 HE3 LYS 13 2HE LYS 13 -8.355 15.668 -1.643 64 HZ1 LYS 13 3HZ LYS 13 -9.581 17.399 -2.604 65 HZ2 LYS 13 1HZ LYS 13 -10.130 16.003 -3.388 66 HZ3 LYS 13 2HZ LYS 13 -9.049 17.042 -4.169 67 H VAL 14 H VAL 14 -3.894 12.593 -0.698 68 HA VAL 14 HA VAL 14 -3.144 11.020 -2.880 69 HB VAL 14 HB VAL 14 -2.580 10.501 0.042 70 HG11 VAL 14 1HG1 VAL 14 -0.884 9.635 -2.274 71 HG12 VAL 14 2HG1 VAL 14 -0.858 9.062 -0.605 72 HG13 VAL 14 3HG1 VAL 14 -2.198 8.627 -1.668 73 HG21 VAL 14 3HG2 VAL 14 -1.071 12.096 -2.024 74 HG22 VAL 14 1HG2 VAL 14 -1.854 12.712 -0.568 75 HG23 VAL 14 2HG2 VAL 14 -0.440 11.666 -0.434 76 H ARG 15 H ARG 15 -3.719 9.057 -3.609 77 HA ARG 15 HA ARG 15 -5.384 7.333 -1.928 78 HB2 ARG 15 1HB ARG 15 -6.913 6.923 -3.855 79 HB3 ARG 15 2HB ARG 15 -7.005 8.557 -3.213 80 HG2 ARG 15 1HG ARG 15 -5.179 8.027 -5.499 81 HG3 ARG 15 2HG ARG 15 -6.916 8.110 -5.796 82 HD2 ARG 15 1HD ARG 15 -6.830 10.313 -4.480 83 HD3 ARG 15 2HD ARG 15 -5.086 10.233 -4.725 84 HE ARG 15 HE ARG 15 -6.143 9.897 -7.219 85 HH11 ARG 15 1HH1 ARG 15 -6.423 12.312 -4.728 86 HH12 ARG 15 2HH1 ARG 15 -6.696 13.614 -5.839 87 HH21 ARG 15 1HH2 ARG 15 -6.501 11.602 -8.692 88 HH22 ARG 15 2HH2 ARG 15 -6.741 13.208 -8.093 89 H ALA 16 H ALA 16 -5.299 5.130 -2.453 90 HA ALA 16 HA ALA 16 -3.334 4.375 -4.509 91 HB1 ALA 16 3HB ALA 16 -3.375 3.639 -1.620 92 HB2 ALA 16 1HB ALA 16 -2.756 2.482 -2.799 93 HB3 ALA 16 2HB ALA 16 -2.014 4.076 -2.653 94 H GLY 17 H GLY 17 -3.703 2.434 -5.572 95 HA2 GLY 17 1HA GLY 17 -5.609 0.504 -4.803 96 HA3 GLY 17 2HA GLY 17 -6.366 1.640 -5.911 97 H GLY 18 H GLY 18 -6.457 -0.704 -6.920 98 HA2 GLY 18 1HA GLY 18 -5.915 -1.450 -9.119 99 HA3 GLY 18 2HA GLY 18 -4.318 -0.737 -8.934 100 HA PRO 19 HA PRO 19 -4.075 -5.351 -8.257 101 HB2 PRO 19 1HB PRO 19 -2.109 -5.779 -10.081 102 HB3 PRO 19 2HB PRO 19 -3.827 -5.798 -10.498 103 HG2 PRO 19 1HG PRO 19 -1.818 -3.607 -10.847 104 HG3 PRO 19 2HG PRO 19 -3.071 -4.166 -11.970 105 HD2 PRO 19 1HD PRO 19 -3.369 -1.953 -10.437 106 HD3 PRO 19 2HD PRO 19 -4.736 -2.989 -10.895 107 H GLY 20 H GLY 20 -2.835 -6.001 -6.615 108 HA2 GLY 20 1HA GLY 20 -0.403 -6.357 -6.024 109 HA3 GLY 20 2HA GLY 20 -0.265 -4.613 -6.185 110 H LEU 21 H LEU 21 -3.222 -4.919 -4.965 111 HA LEU 21 HA LEU 21 -2.319 -5.101 -2.170 112 HB2 LEU 21 1HB LEU 21 -4.061 -3.002 -3.436 113 HB3 LEU 21 2HB LEU 21 -4.013 -3.278 -1.695 114 HG LEU 21 HG LEU 21 -1.531 -2.623 -3.256 115 HD11 LEU 21 1HD1 LEU 21 -2.626 -0.701 -3.771 116 HD12 LEU 21 2HD1 LEU 21 -2.086 -0.275 -2.148 117 HD13 LEU 21 3HD1 LEU 21 -3.738 -0.833 -2.409 118 HD21 LEU 21 3HD2 LEU 21 -1.179 -1.570 -0.837 119 HD22 LEU 21 1HD2 LEU 21 -0.802 -3.254 -1.199 120 HD23 LEU 21 2HD2 LEU 21 -2.324 -2.842 -0.408 121 H GLU 22 H GLU 22 -5.107 -5.136 -4.366 122 HA GLU 22 HA GLU 22 -7.125 -5.969 -2.755 123 HB2 GLU 22 1HB GLU 22 -8.177 -6.923 -4.651 124 HB3 GLU 22 2HB GLU 22 -7.191 -5.603 -5.261 125 HG2 GLU 22 1HG GLU 22 -6.100 -8.380 -5.206 126 HG3 GLU 22 2HG GLU 22 -7.202 -7.882 -6.488 127 H ARG 23 H ARG 23 -4.385 -7.862 -3.825 128 HA ARG 23 HA ARG 23 -4.962 -9.859 -1.810 129 HB2 ARG 23 1HB ARG 23 -5.287 -10.359 -4.715 130 HB3 ARG 23 2HB ARG 23 -4.438 -11.597 -3.798 131 HG2 ARG 23 1HG ARG 23 -6.297 -12.047 -2.460 132 HG3 ARG 23 2HG ARG 23 -7.092 -10.536 -2.903 133 HD2 ARG 23 1HD ARG 23 -6.515 -12.729 -4.881 134 HD3 ARG 23 2HD ARG 23 -8.017 -12.638 -3.963 135 HE ARG 23 HE ARG 23 -7.310 -11.083 -6.243 136 HH11 ARG 23 1HH1 ARG 23 -9.089 -11.008 -3.251 137 HH12 ARG 23 2HH1 ARG 23 -10.206 -9.800 -3.794 138 HH21 ARG 23 1HH2 ARG 23 -8.773 -9.490 -6.969 139 HH22 ARG 23 2HH2 ARG 23 -10.025 -8.937 -5.909 140 H GLY 24 H GLY 24 -3.171 -11.758 -2.289 141 HA2 GLY 24 1HA GLY 24 -0.662 -10.789 -3.264 142 HA3 GLY 24 2HA GLY 24 -0.741 -10.739 -1.510 143 H GLU 25 H GLU 25 1.133 -12.287 -2.834 144 HA GLU 25 HA GLU 25 0.175 -15.004 -2.217 145 HB2 GLU 25 1HB GLU 25 1.787 -14.010 -4.533 146 HB3 GLU 25 2HB GLU 25 2.074 -15.637 -3.929 147 HG2 GLU 25 1HG GLU 25 0.515 -16.079 -5.520 148 HG3 GLU 25 2HG GLU 25 -0.539 -15.820 -4.131 149 H ALA 26 H ALA 26 1.646 -16.406 -1.218 150 HA ALA 26 HA ALA 26 3.542 -15.114 0.496 151 HB1 ALA 26 3HB ALA 26 2.087 -17.089 1.108 152 HB2 ALA 26 1HB ALA 26 3.191 -18.082 0.155 153 HB3 ALA 26 2HB ALA 26 3.786 -17.207 1.567 154 H GLY 27 H GLY 27 5.653 -14.820 0.177 155 HA2 GLY 27 1HA GLY 27 7.795 -15.127 -0.622 156 HA3 GLY 27 2HA GLY 27 7.274 -16.665 -1.294 157 H VAL 28 H VAL 28 5.278 -14.123 -2.262 158 HA VAL 28 HA VAL 28 6.671 -13.991 -4.855 159 HB VAL 28 HB VAL 28 3.732 -13.652 -4.246 160 HG11 VAL 28 1HG1 VAL 28 4.432 -13.908 -7.039 161 HG12 VAL 28 2HG1 VAL 28 3.436 -12.694 -6.234 162 HG13 VAL 28 3HG1 VAL 28 5.187 -12.491 -6.311 163 HG21 VAL 28 3HG2 VAL 28 4.214 -15.950 -4.180 164 HG22 VAL 28 1HG2 VAL 28 3.606 -15.662 -5.811 165 HG23 VAL 28 2HG2 VAL 28 5.339 -15.840 -5.533 166 HA PRO 29 HA PRO 29 7.353 -9.701 -3.960 167 HB2 PRO 29 1HB PRO 29 8.265 -9.004 -6.420 168 HB3 PRO 29 2HB PRO 29 9.242 -9.901 -5.252 169 HG2 PRO 29 1HG PRO 29 7.688 -10.919 -7.600 170 HG3 PRO 29 2HG PRO 29 9.314 -11.369 -7.054 171 HD2 PRO 29 1HD PRO 29 7.131 -12.883 -6.534 172 HD3 PRO 29 2HD PRO 29 8.510 -12.783 -5.421 173 H ALA 30 H ALA 30 5.385 -8.734 -3.680 174 HA ALA 30 HA ALA 30 3.731 -8.210 -6.044 175 HB1 ALA 30 3HB ALA 30 1.922 -7.799 -4.576 176 HB2 ALA 30 1HB ALA 30 2.742 -9.234 -3.960 177 HB3 ALA 30 2HB ALA 30 2.989 -7.671 -3.179 178 H GLU 31 H GLU 31 4.137 -6.365 -7.063 179 HA GLU 31 HA GLU 31 4.918 -4.017 -5.466 180 HB2 GLU 31 1HB GLU 31 5.454 -4.538 -8.394 181 HB3 GLU 31 2HB GLU 31 6.011 -3.153 -7.467 182 HG2 GLU 31 1HG GLU 31 7.381 -4.609 -6.083 183 HG3 GLU 31 2HG GLU 31 6.803 -6.015 -6.976 184 H PHE 32 H PHE 32 3.677 -2.243 -5.512 185 HA PHE 32 HA PHE 32 1.467 -2.168 -7.461 186 HB2 PHE 32 1HB PHE 32 0.143 -0.990 -5.705 187 HB3 PHE 32 2HB PHE 32 0.560 -2.645 -5.272 188 HD1 PHE 32 1HD PHE 32 1.227 0.899 -4.601 189 HD2 PHE 32 2HD PHE 32 2.027 -3.118 -3.443 190 HE1 PHE 32 1HE PHE 32 2.221 1.707 -2.500 191 HE2 PHE 32 2HE PHE 32 3.022 -2.317 -1.340 192 HZ PHE 32 HZ PHE 32 3.119 0.098 -0.866 193 H SER 33 H SER 33 0.890 -0.169 -8.320 194 HA SER 33 HA SER 33 3.003 1.845 -8.180 195 HB2 SER 33 1HB SER 33 0.666 1.653 -10.095 196 HB3 SER 33 2HB SER 33 2.042 2.748 -10.229 197 HG SER 33 HG SER 33 2.881 1.183 -11.354 198 H ILE 34 H ILE 34 2.768 3.584 -6.956 199 HA ILE 34 HA ILE 34 0.042 4.546 -6.380 200 HB ILE 34 HB ILE 34 1.333 5.500 -4.253 201 HG12 ILE 34 1HG1 ILE 34 2.657 2.818 -4.538 202 HG13 ILE 34 2HG1 ILE 34 3.431 4.268 -5.168 203 HG21 ILE 34 1HG2 ILE 34 -0.698 4.134 -4.235 204 HG22 ILE 34 2HG2 ILE 34 0.278 2.683 -4.457 205 HG23 ILE 34 3HG2 ILE 34 0.432 3.630 -2.977 206 HD11 ILE 34 3HD1 ILE 34 3.337 5.257 -2.918 207 HD12 ILE 34 1HD1 ILE 34 2.641 3.755 -2.312 208 HD13 ILE 34 2HD1 ILE 34 4.276 3.765 -2.974 209 H TRP 35 H TRP 35 -0.340 6.517 -7.123 210 HA TRP 35 HA TRP 35 1.922 8.387 -7.385 211 HB2 TRP 35 1HB TRP 35 -0.463 8.284 -9.237 212 HB3 TRP 35 2HB TRP 35 0.998 9.249 -9.426 213 HD1 TRP 35 HD TRP 35 3.228 7.104 -9.056 214 HE1 TRP 35 1HE TRP 35 3.540 5.219 -10.782 215 HE3 TRP 35 3HE TRP 35 -1.433 7.148 -11.156 216 HZ2 TRP 35 2HZ TRP 35 2.011 3.923 -12.770 217 HZ3 TRP 35 3HZ TRP 35 -1.927 5.554 -12.964 218 HH2 TRP 35 HH TRP 35 -0.239 3.977 -13.753 219 H THR 36 H THR 36 1.642 10.401 -6.591 220 HA THR 36 HA THR 36 -0.809 10.914 -5.105 221 HB THR 36 HB THR 36 0.383 12.750 -4.060 222 HG1 THR 36 1HG THR 36 2.177 12.290 -6.169 223 HG21 THR 36 3HG2 THR 36 1.842 10.134 -4.260 224 HG22 THR 36 1HG2 THR 36 0.838 10.744 -2.946 225 HG23 THR 36 2HG2 THR 36 2.436 11.435 -3.227 226 H ARG 37 H ARG 37 -2.393 11.663 -6.405 227 HA ARG 37 HA ARG 37 -1.776 13.708 -8.398 228 HB2 ARG 37 1HB ARG 37 -4.208 12.014 -7.857 229 HB3 ARG 37 2HB ARG 37 -4.251 13.376 -8.969 230 HG2 ARG 37 1HG ARG 37 -2.131 11.327 -9.333 231 HG3 ARG 37 2HG ARG 37 -3.784 10.927 -9.806 232 HD2 ARG 37 1HD ARG 37 -2.145 13.265 -10.778 233 HD3 ARG 37 2HD ARG 37 -2.572 11.825 -11.701 234 HE ARG 37 HE ARG 37 -4.940 13.003 -10.825 235 HH11 ARG 37 1HH1 ARG 37 -2.277 13.737 -12.943 236 HH12 ARG 37 2HH1 ARG 37 -3.221 14.734 -13.999 237 HH21 ARG 37 1HH2 ARG 37 -6.194 14.314 -12.208 238 HH22 ARG 37 2HH2 ARG 37 -5.449 15.062 -13.579 239 H GLU 38 H GLU 38 -2.151 15.800 -8.070 240 HA GLU 38 HA GLU 38 -2.825 17.751 -7.112 241 HB2 GLU 38 1HB GLU 38 -5.087 16.499 -7.670 242 HB3 GLU 38 2HB GLU 38 -5.223 16.430 -5.919 243 HG2 GLU 38 1HG GLU 38 -6.370 18.361 -6.479 244 HG3 GLU 38 2HG GLU 38 -4.786 18.954 -5.982 245 H ALA 39 H ALA 39 -0.986 16.350 -5.650 246 HA ALA 39 HA ALA 39 -1.839 16.894 -2.882 247 HB1 ALA 39 3HB ALA 39 -1.102 14.421 -3.898 248 HB2 ALA 39 1HB ALA 39 0.335 14.992 -3.050 249 HB3 ALA 39 2HB ALA 39 -1.203 14.874 -2.197 250 H GLY 40 H GLY 40 0.263 17.028 -1.440 251 HA2 GLY 40 1HA GLY 40 2.014 18.980 -2.785 252 HA3 GLY 40 2HA GLY 40 1.669 18.952 -1.062 253 H ALA 41 H ALA 41 3.952 18.260 -3.340 254 HA ALA 41 HA ALA 41 5.183 15.937 -2.925 255 HB1 ALA 41 3HB ALA 41 6.609 17.129 -4.165 256 HB2 ALA 41 1HB ALA 41 6.145 18.649 -3.400 257 HB3 ALA 41 2HB ALA 41 7.341 17.603 -2.633 258 H GLY 42 H GLY 42 5.116 14.803 -1.066 259 HA2 GLY 42 1HA GLY 42 6.522 15.960 1.243 260 HA3 GLY 42 2HA GLY 42 4.931 15.253 1.476 261 H GLY 43 H GLY 43 6.774 14.180 3.001 262 HA2 GLY 43 1HA GLY 43 8.285 12.079 1.812 263 HA3 GLY 43 2HA GLY 43 7.948 12.272 3.526 264 H LEU 44 H LEU 44 8.006 9.768 2.473 265 HA LEU 44 HA LEU 44 5.202 8.969 2.734 266 HB2 LEU 44 1HB LEU 44 7.010 8.430 0.446 267 HB3 LEU 44 2HB LEU 44 5.963 7.115 0.979 268 HG LEU 44 HG LEU 44 5.010 9.845 0.114 269 HD11 LEU 44 1HD1 LEU 44 6.059 8.334 -1.654 270 HD12 LEU 44 2HD1 LEU 44 4.425 8.924 -1.956 271 HD13 LEU 44 3HD1 LEU 44 4.676 7.271 -1.393 272 HD21 LEU 44 3HD2 LEU 44 2.812 8.561 -0.003 273 HD22 LEU 44 1HD2 LEU 44 3.415 8.979 1.601 274 HD23 LEU 44 2HD2 LEU 44 3.607 7.337 0.988 275 H SER 45 H SER 45 4.909 7.258 4.038 276 HA SER 45 HA SER 45 7.270 5.659 4.772 277 HB2 SER 45 1HB SER 45 6.782 7.195 6.600 278 HB3 SER 45 2HB SER 45 5.097 6.677 6.619 279 HG SER 45 HG SER 45 7.238 4.873 7.019 280 H ILE 46 H ILE 46 7.010 3.500 4.788 281 HA ILE 46 HA ILE 46 4.289 2.405 4.689 282 HB ILE 46 HB ILE 46 6.513 1.594 2.814 283 HG12 ILE 46 1HG1 ILE 46 3.860 2.773 2.027 284 HG13 ILE 46 2HG1 ILE 46 5.229 3.807 2.418 285 HG21 ILE 46 1HG2 ILE 46 3.704 0.563 3.155 286 HG22 ILE 46 2HG2 ILE 46 4.738 0.183 1.779 287 HG23 ILE 46 3HG2 ILE 46 5.209 -0.324 3.401 288 HD11 ILE 46 3HD1 ILE 46 5.090 1.751 0.228 289 HD12 ILE 46 1HD1 ILE 46 5.098 3.505 0.042 290 HD13 ILE 46 2HD1 ILE 46 6.531 2.676 0.653 291 H ALA 47 H ALA 47 4.005 0.688 5.966 292 HA ALA 47 HA ALA 47 6.354 -0.866 6.803 293 HB1 ALA 47 3HB ALA 47 5.102 -0.947 9.105 294 HB2 ALA 47 1HB ALA 47 6.165 0.403 8.704 295 HB3 ALA 47 2HB ALA 47 4.418 0.580 8.546 296 H VAL 48 H VAL 48 6.053 -2.975 6.532 297 HA VAL 48 HA VAL 48 3.318 -3.965 6.142 298 HB VAL 48 HB VAL 48 5.971 -5.191 5.380 299 HG11 VAL 48 1HG1 VAL 48 4.258 -6.870 6.028 300 HG12 VAL 48 2HG1 VAL 48 3.201 -6.219 4.773 301 HG13 VAL 48 3HG1 VAL 48 4.737 -6.968 4.334 302 HG21 VAL 48 3HG2 VAL 48 4.772 -4.909 3.059 303 HG22 VAL 48 1HG2 VAL 48 3.881 -3.651 3.915 304 HG23 VAL 48 2HG2 VAL 48 5.638 -3.561 3.796 305 H GLU 49 H GLU 49 2.484 -4.588 8.048 306 HA GLU 49 HA GLU 49 4.124 -6.349 9.750 307 HB2 GLU 49 1HB GLU 49 1.877 -4.482 10.528 308 HB3 GLU 49 2HB GLU 49 2.646 -5.621 11.625 309 HG2 GLU 49 1HG GLU 49 4.727 -4.476 11.482 310 HG3 GLU 49 2HG GLU 49 4.137 -3.451 10.174 311 H GLY 50 H GLY 50 3.353 -8.324 10.284 312 HA2 GLY 50 1HA GLY 50 0.568 -9.000 10.069 313 HA3 GLY 50 2HA GLY 50 1.531 -9.673 8.761 314 HA PRO 51 HA PRO 51 1.564 -12.777 12.162 315 HB2 PRO 51 1HB PRO 51 1.358 -14.916 10.503 316 HB3 PRO 51 2HB PRO 51 -0.045 -14.011 11.082 317 HG2 PRO 51 1HG PRO 51 1.380 -13.817 8.457 318 HG3 PRO 51 2HG PRO 51 -0.363 -13.823 8.786 319 HD2 PRO 51 1HD PRO 51 1.019 -11.548 8.290 320 HD3 PRO 51 2HD PRO 51 -0.386 -11.594 9.374 321 H SER 52 H SER 52 3.510 -12.031 9.465 322 HA SER 52 HA SER 52 5.785 -13.360 10.701 323 HB2 SER 52 1HB SER 52 4.645 -14.851 8.876 324 HB3 SER 52 2HB SER 52 5.428 -13.746 7.746 325 HG SER 52 HG SER 52 6.766 -15.176 9.801 326 H LYS 53 H LYS 53 7.789 -12.876 9.109 327 HA LYS 53 HA LYS 53 7.805 -9.967 8.862 328 HB2 LYS 53 1HB LYS 53 9.602 -11.498 10.040 329 HB3 LYS 53 2HB LYS 53 10.228 -11.659 8.405 330 HG2 LYS 53 1HG LYS 53 10.622 -9.326 8.233 331 HG3 LYS 53 2HG LYS 53 9.730 -9.004 9.722 332 HD2 LYS 53 1HD LYS 53 12.136 -10.787 9.745 333 HD3 LYS 53 2HD LYS 53 12.321 -9.033 9.780 334 HE2 LYS 53 1HE LYS 53 10.569 -10.532 11.713 335 HE3 LYS 53 2HE LYS 53 12.274 -10.205 12.024 336 HZ1 LYS 53 3HZ LYS 53 11.797 -7.828 11.785 337 HZ2 LYS 53 1HZ LYS 53 10.909 -8.525 13.046 338 HZ3 LYS 53 2HZ LYS 53 10.155 -8.175 11.573 339 H ALA 54 H ALA 54 7.797 -8.929 6.973 340 HA ALA 54 HA ALA 54 8.188 -10.520 4.522 341 HB1 ALA 54 3HB ALA 54 5.879 -9.501 5.057 342 HB2 ALA 54 1HB ALA 54 6.621 -7.969 4.592 343 HB3 ALA 54 2HB ALA 54 6.539 -9.297 3.433 344 H GLU 55 H GLU 55 9.495 -9.735 2.912 345 HA GLU 55 HA GLU 55 11.472 -7.810 3.693 346 HB2 GLU 55 1HB GLU 55 11.935 -9.858 2.311 347 HB3 GLU 55 2HB GLU 55 11.090 -9.080 0.980 348 HG2 GLU 55 1HG GLU 55 12.726 -7.230 1.074 349 HG3 GLU 55 2HG GLU 55 13.602 -8.113 2.323 350 H ILE 56 H ILE 56 11.982 -5.858 2.606 351 HA ILE 56 HA ILE 56 9.925 -4.742 0.852 352 HB ILE 56 HB ILE 56 10.878 -3.358 3.361 353 HG12 ILE 56 1HG1 ILE 56 8.022 -4.004 2.724 354 HG13 ILE 56 2HG1 ILE 56 9.061 -5.249 3.409 355 HG21 ILE 56 1HG2 ILE 56 9.447 -1.528 2.730 356 HG22 ILE 56 2HG2 ILE 56 10.576 -1.855 1.417 357 HG23 ILE 56 3HG2 ILE 56 8.903 -2.398 1.297 358 HD11 ILE 56 3HD1 ILE 56 8.952 -2.597 4.742 359 HD12 ILE 56 1HD1 ILE 56 7.596 -3.707 4.935 360 HD13 ILE 56 2HD1 ILE 56 9.216 -4.200 5.428 361 H THR 57 H THR 57 10.717 -3.435 -0.702 362 HA THR 57 HA THR 57 13.431 -2.369 -0.427 363 HB THR 57 HB THR 57 12.525 -3.906 -2.869 364 HG1 THR 57 1HG THR 57 14.247 -5.358 -2.123 365 HG21 THR 57 3HG2 THR 57 14.047 -2.345 -3.663 366 HG22 THR 57 1HG2 THR 57 15.085 -3.719 -3.291 367 HG23 THR 57 2HG2 THR 57 14.992 -2.356 -2.175 368 H PHE 58 H PHE 58 13.460 -0.290 -0.953 369 HA PHE 58 HA PHE 58 11.401 0.715 -2.807 370 HB2 PHE 58 1HB PHE 58 11.330 1.463 -0.350 371 HB3 PHE 58 2HB PHE 58 12.779 2.392 -0.719 372 HD1 PHE 58 2HD PHE 58 12.678 4.220 -2.388 373 HD2 PHE 58 1HD PHE 58 9.188 2.186 -1.044 374 HE1 PHE 58 2HE PHE 58 11.281 6.054 -3.248 375 HE2 PHE 58 1HE PHE 58 7.786 4.018 -1.902 376 HZ PHE 58 HZ PHE 58 8.833 5.955 -3.004 377 H ASP 59 H ASP 59 12.488 0.719 -4.715 378 HA ASP 59 HA ASP 59 15.088 2.089 -4.811 379 HB2 ASP 59 1HB ASP 59 15.150 1.030 -7.160 380 HB3 ASP 59 2HB ASP 59 15.361 -0.033 -5.773 381 H ASP 60 H ASP 60 14.780 4.200 -5.159 382 HA ASP 60 HA ASP 60 12.796 5.015 -7.174 383 HB2 ASP 60 1HB ASP 60 13.020 7.288 -6.112 384 HB3 ASP 60 2HB ASP 60 12.336 6.048 -5.065 385 H HIS 61 H HIS 61 13.441 5.931 -9.020 386 HA HIS 61 HA HIS 61 16.310 6.467 -9.348 387 HB2 HIS 61 1HB HIS 61 14.850 4.853 -10.855 388 HB3 HIS 61 2HB HIS 61 14.431 6.358 -11.669 389 HD1 HIS 61 1HD HIS 61 17.830 5.344 -10.319 390 HD2 HIS 61 2HD HIS 61 15.945 6.190 -13.923 391 HE1 HIS 61 1HE HIS 61 19.654 5.335 -12.051 392 H LYS 62 H LYS 62 16.863 8.264 -10.876 393 HA LYS 62 HA LYS 62 15.814 10.698 -9.931 394 HB2 LYS 62 1HB LYS 62 17.513 10.089 -12.355 395 HB3 LYS 62 2HB LYS 62 17.157 11.716 -11.788 396 HG2 LYS 62 1HG LYS 62 19.283 11.203 -10.945 397 HG3 LYS 62 2HG LYS 62 18.181 11.024 -9.579 398 HD2 LYS 62 1HD LYS 62 18.372 8.731 -9.551 399 HD3 LYS 62 2HD LYS 62 18.797 8.639 -11.261 400 HE2 LYS 62 1HE LYS 62 20.576 9.730 -9.083 401 HE3 LYS 62 2HE LYS 62 20.691 8.109 -9.767 402 HZ1 LYS 62 3HZ LYS 62 21.179 10.688 -11.144 403 HZ2 LYS 62 1HZ LYS 62 21.023 9.219 -11.968 404 HZ3 LYS 62 2HZ LYS 62 22.284 9.438 -10.864 405 H ASN 63 H ASN 63 15.478 9.134 -13.117 406 HA ASN 63 HA ASN 63 13.638 11.045 -14.119 407 HB2 ASN 63 1HB ASN 63 14.449 8.279 -14.980 408 HB3 ASN 63 2HB ASN 63 13.151 9.140 -15.802 409 HD21 ASN 63 1HD2 ASN 63 15.763 8.284 -16.783 410 HD22 ASN 63 2HD2 ASN 63 16.548 9.712 -17.355 411 H GLY 64 H GLY 64 13.310 8.271 -12.093 412 HA2 GLY 64 1HA GLY 64 10.987 8.606 -10.929 413 HA3 GLY 64 2HA GLY 64 10.414 8.155 -12.528 414 H SER 65 H SER 65 10.108 6.062 -12.930 415 HA SER 65 HA SER 65 10.003 3.810 -12.615 416 HB2 SER 65 1HB SER 65 12.836 4.490 -11.965 417 HB3 SER 65 2HB SER 65 12.268 2.860 -11.601 418 HG SER 65 HG SER 65 12.166 2.427 -13.667 419 H CYS 66 H CYS 66 8.801 5.306 -10.617 420 HA CYS 66 HA CYS 66 9.606 4.398 -8.022 421 HB2 CYS 66 1HB CYS 66 7.151 5.830 -9.036 422 HB3 CYS 66 2HB CYS 66 7.349 5.371 -7.349 423 HG CYS 66 HG CYS 66 9.232 7.611 -9.113 424 H GLY 67 H GLY 67 8.489 2.953 -6.652 425 HA2 GLY 67 1HA GLY 67 6.221 1.516 -7.069 426 HA3 GLY 67 2HA GLY 67 7.412 0.671 -8.046 427 H VAL 68 H VAL 68 5.942 0.682 -5.119 428 HA VAL 68 HA VAL 68 8.226 -0.124 -3.523 429 HB VAL 68 HB VAL 68 5.305 -0.228 -2.765 430 HG11 VAL 68 1HG1 VAL 68 6.705 -1.567 -1.327 431 HG12 VAL 68 2HG1 VAL 68 7.836 -0.228 -1.125 432 HG13 VAL 68 3HG1 VAL 68 6.204 -0.112 -0.466 433 HG21 VAL 68 3HG2 VAL 68 7.072 2.039 -3.137 434 HG22 VAL 68 1HG2 VAL 68 5.335 1.999 -2.837 435 HG23 VAL 68 2HG2 VAL 68 6.465 1.942 -1.484 436 H SER 69 H SER 69 8.830 -2.159 -3.079 437 HA SER 69 HA SER 69 7.106 -4.342 -4.057 438 HB2 SER 69 1HB SER 69 9.041 -5.574 -4.723 439 HB3 SER 69 2HB SER 69 9.251 -3.940 -5.353 440 HG SER 69 HG SER 69 10.474 -3.583 -3.317 441 H TYR 70 H TYR 70 6.944 -6.203 -2.814 442 HA TYR 70 HA TYR 70 8.413 -6.453 -0.341 443 HB2 TYR 70 1HB TYR 70 6.586 -6.287 1.164 444 HB3 TYR 70 2HB TYR 70 6.484 -4.865 0.132 445 HD1 TYR 70 2HD TYR 70 4.727 -4.701 -1.585 446 HD2 TYR 70 1HD TYR 70 4.888 -7.985 1.117 447 HE1 TYR 70 2HE TYR 70 2.407 -5.281 -2.159 448 HE2 TYR 70 1HE TYR 70 2.569 -8.575 0.547 449 HH TYR 70 HH TYR 70 0.499 -6.506 -1.108 450 H ILE 71 H ILE 71 8.191 -8.507 0.633 451 HA ILE 71 HA ILE 71 6.615 -10.483 -0.862 452 HB ILE 71 HB ILE 71 9.551 -10.672 -0.213 453 HG12 ILE 71 1HG1 ILE 71 8.175 -11.323 -2.809 454 HG13 ILE 71 2HG1 ILE 71 8.623 -9.669 -2.405 455 HG21 ILE 71 1HG2 ILE 71 9.354 -13.031 -1.079 456 HG22 ILE 71 2HG2 ILE 71 8.673 -12.746 0.522 457 HG23 ILE 71 3HG2 ILE 71 7.609 -12.871 -0.879 458 HD11 ILE 71 3HD1 ILE 71 10.749 -11.679 -2.111 459 HD12 ILE 71 1HD1 ILE 71 10.203 -11.359 -3.756 460 HD13 ILE 71 2HD1 ILE 71 10.810 -10.040 -2.756 461 H ALA 72 H ALA 72 5.550 -11.886 0.393 462 HA ALA 72 HA ALA 72 6.147 -11.862 3.275 463 HB1 ALA 72 3HB ALA 72 3.763 -12.837 3.395 464 HB2 ALA 72 1HB ALA 72 3.958 -11.122 3.037 465 HB3 ALA 72 2HB ALA 72 3.609 -12.261 1.736 466 H GLN 73 H GLN 73 7.620 -13.489 3.505 467 HA GLN 73 HA GLN 73 7.947 -15.829 2.209 468 HB2 GLN 73 1HB GLN 73 8.101 -15.425 5.200 469 HB3 GLN 73 2HB GLN 73 8.779 -16.802 4.342 470 HG2 GLN 73 1HG GLN 73 9.579 -13.926 3.963 471 HG3 GLN 73 2HG GLN 73 10.478 -15.141 4.870 472 HE21 GLN 73 1HE2 GLN 73 10.078 -13.660 1.905 473 HE22 GLN 73 2HE2 GLN 73 10.984 -14.763 0.933 474 H GLU 74 H GLU 74 5.689 -15.353 4.919 475 HA GLU 74 HA GLU 74 4.350 -17.855 4.129 476 HB2 GLU 74 1HB GLU 74 4.261 -16.454 6.807 477 HB3 GLU 74 2HB GLU 74 3.507 -17.993 6.413 478 HG2 GLU 74 1HG GLU 74 6.465 -17.577 6.178 479 HG3 GLU 74 2HG GLU 74 5.703 -18.041 7.699 480 HA PRO 75 HA PRO 75 0.810 -15.537 2.921 481 HB2 PRO 75 1HB PRO 75 -1.089 -17.452 3.215 482 HB3 PRO 75 2HB PRO 75 0.086 -17.461 1.896 483 HG2 PRO 75 1HG PRO 75 0.112 -18.996 4.466 484 HG3 PRO 75 2HG PRO 75 0.508 -19.549 2.829 485 HD2 PRO 75 1HD PRO 75 2.406 -18.896 4.645 486 HD3 PRO 75 2HD PRO 75 2.628 -18.646 2.901 487 H GLY 76 H GLY 76 -1.113 -14.585 3.734 488 HA2 GLY 76 1HA GLY 76 -2.579 -15.036 5.936 489 HA3 GLY 76 2HA GLY 76 -1.121 -14.338 6.625 490 H ASN 77 H ASN 77 -3.008 -12.842 7.309 491 HA ASN 77 HA ASN 77 -3.675 -10.886 5.249 492 HB2 ASN 77 1HB ASN 77 -5.245 -9.976 6.837 493 HB3 ASN 77 2HB ASN 77 -5.425 -11.728 6.824 494 HD21 ASN 77 1HD2 ASN 77 -6.151 -9.817 8.881 495 HD22 ASN 77 2HD2 ASN 77 -5.292 -10.287 10.306 496 H TYR 78 H TYR 78 -1.850 -9.698 4.881 497 HA TYR 78 HA TYR 78 -0.370 -8.580 7.121 498 HB2 TYR 78 1HB TYR 78 0.041 -8.495 4.132 499 HB3 TYR 78 2HB TYR 78 1.046 -7.589 5.258 500 HD1 TYR 78 2HD TYR 78 -0.139 -11.062 4.580 501 HD2 TYR 78 1HD TYR 78 2.954 -8.584 6.126 502 HE1 TYR 78 2HE TYR 78 1.284 -13.043 4.891 503 HE2 TYR 78 1HE TYR 78 4.386 -10.558 6.441 504 HH TYR 78 HH TYR 78 3.178 -13.775 6.123 505 H GLU 79 H GLU 79 -0.484 -6.526 7.815 506 HA GLU 79 HA GLU 79 -2.404 -4.758 6.465 507 HB2 GLU 79 1HB GLU 79 -2.510 -5.510 9.005 508 HB3 GLU 79 2HB GLU 79 -1.375 -4.182 9.205 509 HG2 GLU 79 1HG GLU 79 -3.157 -2.853 7.828 510 HG3 GLU 79 2HG GLU 79 -4.237 -4.125 8.396 511 H VAL 80 H VAL 80 -1.312 -3.546 5.030 512 HA VAL 80 HA VAL 80 1.320 -2.499 5.661 513 HB VAL 80 HB VAL 80 -0.358 -1.986 3.203 514 HG11 VAL 80 1HG1 VAL 80 1.680 -0.508 3.885 515 HG12 VAL 80 2HG1 VAL 80 2.624 -1.883 3.313 516 HG13 VAL 80 3HG1 VAL 80 1.511 -1.062 2.220 517 HG21 VAL 80 3HG2 VAL 80 -0.063 -4.321 3.253 518 HG22 VAL 80 1HG2 VAL 80 1.208 -3.718 2.189 519 HG23 VAL 80 2HG2 VAL 80 1.593 -4.182 3.847 520 H SER 81 H SER 81 1.453 -0.755 6.908 521 HA SER 81 HA SER 81 -0.694 1.201 6.960 522 HB2 SER 81 1HB SER 81 0.370 0.443 9.071 523 HB3 SER 81 2HB SER 81 1.897 1.139 8.528 524 HG SER 81 HG SER 81 -0.427 2.723 8.637 525 H ILE 82 H ILE 82 -0.725 2.842 5.591 526 HA ILE 82 HA ILE 82 1.833 3.865 4.549 527 HB ILE 82 HB ILE 82 -0.919 3.924 3.313 528 HG12 ILE 82 1HG1 ILE 82 1.654 2.687 2.316 529 HG13 ILE 82 2HG1 ILE 82 0.400 1.796 3.171 530 HG21 ILE 82 1HG2 ILE 82 0.286 6.039 2.934 531 HG22 ILE 82 2HG2 ILE 82 1.630 5.129 2.244 532 HG23 ILE 82 3HG2 ILE 82 0.057 5.119 1.447 533 HD11 ILE 82 3HD1 ILE 82 0.255 1.473 0.765 534 HD12 ILE 82 1HD1 ILE 82 -1.179 2.287 1.390 535 HD13 ILE 82 2HD1 ILE 82 0.059 3.211 0.538 536 H LYS 83 H LYS 83 2.398 5.902 4.979 537 HA LYS 83 HA LYS 83 0.336 7.758 5.960 538 HB2 LYS 83 1HB LYS 83 2.921 6.974 7.208 539 HB3 LYS 83 2HB LYS 83 2.441 8.662 7.330 540 HG2 LYS 83 1HG LYS 83 0.159 7.578 8.113 541 HG3 LYS 83 2HG LYS 83 1.230 6.246 8.553 542 HD2 LYS 83 1HD LYS 83 1.937 9.038 9.350 543 HD3 LYS 83 2HD LYS 83 0.720 8.150 10.270 544 HE2 LYS 83 1HE LYS 83 3.375 6.909 9.656 545 HE3 LYS 83 2HE LYS 83 3.202 8.031 11.005 546 HZ1 LYS 83 3HZ LYS 83 1.457 5.661 10.679 547 HZ2 LYS 83 1HZ LYS 83 1.670 6.618 12.057 548 HZ3 LYS 83 2HZ LYS 83 2.916 5.602 11.533 549 H PHE 84 H PHE 84 0.294 9.657 4.942 550 HA PHE 84 HA PHE 84 2.520 10.304 3.140 551 HB2 PHE 84 1HB PHE 84 0.380 10.094 2.018 552 HB3 PHE 84 2HB PHE 84 -0.358 11.233 3.140 553 HD1 PHE 84 2HD PHE 84 2.118 10.903 0.419 554 HD2 PHE 84 1HD PHE 84 -0.228 13.554 2.782 555 HE1 PHE 84 2HE PHE 84 2.697 12.757 -1.092 556 HE2 PHE 84 1HE PHE 84 0.348 15.412 1.275 557 HZ PHE 84 HZ PHE 84 1.813 15.015 -0.664 558 H ASN 85 H ASN 85 3.949 11.591 4.124 559 HA ASN 85 HA ASN 85 4.845 13.435 5.112 560 HB2 ASN 85 1HB ASN 85 2.089 14.668 4.967 561 HB3 ASN 85 2HB ASN 85 3.633 15.507 5.079 562 HD21 ASN 85 1HD2 ASN 85 2.580 16.583 3.178 563 HD22 ASN 85 2HD2 ASN 85 2.902 15.909 1.619 564 H ASP 86 H ASP 86 3.839 11.301 6.700 565 HA ASP 86 HA ASP 86 3.662 10.818 8.923 566 HB2 ASP 86 1HB ASP 86 3.594 13.780 9.493 567 HB3 ASP 86 2HB ASP 86 4.095 12.479 10.571 568 H GLU 87 H GLU 87 1.387 11.132 7.198 569 HA GLU 87 HA GLU 87 -0.652 11.636 9.248 570 HB2 GLU 87 1HB GLU 87 -0.454 12.855 6.532 571 HB3 GLU 87 2HB GLU 87 -2.049 12.454 7.150 572 HG2 GLU 87 1HG GLU 87 -1.439 13.787 9.210 573 HG3 GLU 87 2HG GLU 87 -0.041 14.362 8.304 574 H HIS 88 H HIS 88 -2.436 10.300 9.177 575 HA HIS 88 HA HIS 88 -2.111 7.894 7.567 576 HB2 HIS 88 1HB HIS 88 -3.516 8.597 10.078 577 HB3 HIS 88 2HB HIS 88 -4.286 7.369 9.078 578 HD2 HIS 88 2HD HIS 88 -1.064 7.838 11.233 579 HE1 HIS 88 1HE HIS 88 -1.345 3.765 10.082 580 HE2 HIS 88 2HE HIS 88 -0.173 5.433 11.560 581 H ILE 89 H ILE 89 -2.957 7.985 5.588 582 HA ILE 89 HA ILE 89 -5.084 9.691 4.829 583 HB ILE 89 HB ILE 89 -5.137 8.017 2.799 584 HG12 ILE 89 1HG1 ILE 89 -2.366 7.460 3.839 585 HG13 ILE 89 2HG1 ILE 89 -3.711 6.379 4.183 586 HG21 ILE 89 1HG2 ILE 89 -4.231 10.375 2.933 587 HG22 ILE 89 2HG2 ILE 89 -2.653 9.651 3.239 588 HG23 ILE 89 3HG2 ILE 89 -3.492 9.327 1.723 589 HD11 ILE 89 3HD1 ILE 89 -3.335 7.108 1.356 590 HD12 ILE 89 1HD1 ILE 89 -2.079 6.103 2.079 591 HD13 ILE 89 2HD1 ILE 89 -3.757 5.560 2.089 592 HA PRO 90 HA PRO 90 -8.715 7.406 5.754 593 HB2 PRO 90 1HB PRO 90 -10.270 7.904 3.585 594 HB3 PRO 90 2HB PRO 90 -9.915 9.125 4.812 595 HG2 PRO 90 1HG PRO 90 -8.651 8.712 2.130 596 HG3 PRO 90 2HG PRO 90 -9.145 10.225 2.912 597 HD2 PRO 90 1HD PRO 90 -6.574 9.380 2.870 598 HD3 PRO 90 2HD PRO 90 -7.248 10.316 4.219 599 H GLU 91 H GLU 91 -6.598 6.396 3.440 600 HA GLU 91 HA GLU 91 -8.253 4.077 2.690 601 HB2 GLU 91 1HB GLU 91 -5.871 5.321 1.311 602 HB3 GLU 91 2HB GLU 91 -6.566 3.776 0.842 603 HG2 GLU 91 1HG GLU 91 -8.781 5.205 0.731 604 HG3 GLU 91 2HG GLU 91 -7.634 6.521 0.497 605 H SER 92 H SER 92 -5.785 5.044 4.703 606 HA SER 92 HA SER 92 -4.678 2.315 4.830 607 HB2 SER 92 1HB SER 92 -2.571 3.136 5.247 608 HB3 SER 92 2HB SER 92 -3.198 4.455 4.257 609 HG SER 92 HG SER 92 -2.186 4.769 6.552 610 HA PRO 93 HA PRO 93 -2.974 1.560 6.348 611 HB2 PRO 93 1HB PRO 93 -3.351 -0.775 7.680 612 HB3 PRO 93 2HB PRO 93 -2.497 0.604 8.381 613 HG2 PRO 93 1HG PRO 93 -5.332 -0.272 8.781 614 HG3 PRO 93 2HG PRO 93 -4.157 0.298 9.982 615 HD2 PRO 93 1HD PRO 93 -6.102 1.892 8.975 616 HD3 PRO 93 2HD PRO 93 -4.511 2.516 9.460 617 H TYR 94 H TYR 94 -2.863 -0.595 5.213 618 HA TYR 94 HA TYR 94 -5.434 -1.136 3.883 619 HB2 TYR 94 1HB TYR 94 -2.603 -1.380 2.853 620 HB3 TYR 94 2HB TYR 94 -4.016 -1.963 1.981 621 HD1 TYR 94 2HD TYR 94 -2.698 1.149 3.570 622 HD2 TYR 94 1HD TYR 94 -5.038 -0.556 0.453 623 HE1 TYR 94 2HE TYR 94 -3.001 3.381 2.584 624 HE2 TYR 94 1HE TYR 94 -5.347 1.672 -0.542 625 HH TYR 94 HH TYR 94 -3.504 4.312 0.257 626 H LEU 95 H LEU 95 -5.989 -3.285 3.375 627 HA LEU 95 HA LEU 95 -4.527 -5.319 4.929 628 HB2 LEU 95 1HB LEU 95 -6.825 -4.626 5.762 629 HB3 LEU 95 2HB LEU 95 -7.468 -5.397 4.313 630 HG LEU 95 HG LEU 95 -6.664 -7.548 5.043 631 HD11 LEU 95 1HD1 LEU 95 -5.677 -7.700 7.382 632 HD12 LEU 95 2HD1 LEU 95 -5.364 -5.970 7.242 633 HD13 LEU 95 3HD1 LEU 95 -4.622 -7.094 6.105 634 HD21 LEU 95 3HD2 LEU 95 -8.072 -6.088 7.277 635 HD22 LEU 95 1HD2 LEU 95 -8.016 -7.837 7.061 636 HD23 LEU 95 2HD2 LEU 95 -8.841 -6.829 5.873 637 H VAL 96 H VAL 96 -3.460 -6.597 3.573 638 HA VAL 96 HA VAL 96 -4.760 -7.360 1.039 639 HB VAL 96 HB VAL 96 -1.801 -7.492 1.602 640 HG11 VAL 96 1HG1 VAL 96 -1.951 -8.751 -0.254 641 HG12 VAL 96 2HG1 VAL 96 -3.551 -8.133 -0.667 642 HG13 VAL 96 3HG1 VAL 96 -2.111 -7.200 -1.077 643 HG21 VAL 96 3HG2 VAL 96 -1.577 -5.414 0.333 644 HG22 VAL 96 1HG2 VAL 96 -3.333 -5.288 0.224 645 HG23 VAL 96 2HG2 VAL 96 -2.536 -5.170 1.792 646 HA PRO 97 HA PRO 97 -4.887 -11.306 3.245 647 HB2 PRO 97 1HB PRO 97 -6.700 -12.427 1.564 648 HB3 PRO 97 2HB PRO 97 -7.154 -11.328 2.872 649 HG2 PRO 97 1HG PRO 97 -6.813 -10.758 -0.047 650 HG3 PRO 97 2HG PRO 97 -8.084 -10.205 1.061 651 HD2 PRO 97 1HD PRO 97 -5.997 -8.638 0.338 652 HD3 PRO 97 2HD PRO 97 -6.766 -8.527 1.934 653 H VAL 98 H VAL 98 -2.709 -11.791 2.598 654 HA VAL 98 HA VAL 98 -2.111 -12.724 -0.037 655 HB VAL 98 HB VAL 98 -0.539 -13.118 2.514 656 HG11 VAL 98 1HG1 VAL 98 -0.066 -13.823 -0.309 657 HG12 VAL 98 2HG1 VAL 98 1.289 -13.072 0.536 658 HG13 VAL 98 3HG1 VAL 98 0.567 -14.552 1.166 659 HG21 VAL 98 3HG2 VAL 98 0.141 -11.001 2.384 660 HG22 VAL 98 1HG2 VAL 98 0.499 -11.157 0.665 661 HG23 VAL 98 2HG2 VAL 98 -1.131 -10.739 1.192 662 H ILE 99 H ILE 99 -1.844 -14.804 -0.779 663 HA ILE 99 HA ILE 99 -2.687 -16.972 1.026 664 HB ILE 99 HB ILE 99 -3.867 -18.047 -0.839 665 HG12 ILE 99 1HG1 ILE 99 -3.684 -15.481 -2.387 666 HG13 ILE 99 2HG1 ILE 99 -2.430 -16.706 -2.555 667 HG21 ILE 99 1HG2 ILE 99 -5.500 -15.837 -1.089 668 HG22 ILE 99 2HG2 ILE 99 -5.569 -17.045 0.193 669 HG23 ILE 99 3HG2 ILE 99 -4.652 -15.558 0.431 670 HD11 ILE 99 3HD1 ILE 99 -5.108 -16.615 -3.660 671 HD12 ILE 99 1HD1 ILE 99 -3.710 -17.574 -4.147 672 HD13 ILE 99 2HD1 ILE 99 -4.759 -18.140 -2.847 673 H ALA 100 H ALA 100 -1.940 -19.105 0.407 674 HA ALA 100 HA ALA 100 0.753 -19.000 -0.672 675 HB1 ALA 100 3HB ALA 100 1.025 -20.472 0.976 676 HB2 ALA 100 1HB ALA 100 -0.714 -20.722 1.139 677 HB3 ALA 100 2HB ALA 100 0.203 -21.643 -0.055 678 HA PRO 101 HA PRO 101 -0.810 -20.215 -4.688 679 HB2 PRO 101 1HB PRO 101 1.598 -20.103 -5.935 680 HB3 PRO 101 2HB PRO 101 0.641 -18.665 -5.565 681 HG2 PRO 101 1HG PRO 101 2.974 -19.819 -4.086 682 HG3 PRO 101 2HG PRO 101 2.622 -18.124 -4.474 683 HD2 PRO 101 1HD PRO 101 2.138 -19.191 -2.032 684 HD3 PRO 101 2HD PRO 101 1.133 -17.902 -2.727 685 H SER 102 H SER 102 -1.308 -22.293 -4.989 686 HA SER 102 HA SER 102 0.802 -24.314 -4.613 687 HB2 SER 102 1HB SER 102 -2.137 -24.338 -4.070 688 HB3 SER 102 2HB SER 102 -1.357 -25.851 -4.535 689 HG SER 102 HG SER 102 -0.756 -24.189 -2.319 690 H ASP 103 H ASP 103 1.659 -24.384 -6.651 691 HA ASP 103 HA ASP 103 -0.139 -25.383 -8.753 692 HB2 ASP 103 1HB ASP 103 0.344 -23.047 -9.258 693 HB3 ASP 103 2HB ASP 103 2.073 -23.349 -9.103 694 H ASP 104 H ASP 104 0.535 -27.500 -8.330 695 HA ASP 104 HA ASP 104 3.377 -28.095 -8.742 696 HB2 ASP 104 1HB ASP 104 2.612 -30.438 -8.000 697 HB3 ASP 104 2HB ASP 104 2.635 -29.163 -6.785 698 H ALA 105 H ALA 105 3.970 -28.552 -10.747 699 HA ALA 105 HA ALA 105 2.052 -29.422 -12.723 700 HB1 ALA 105 3HB ALA 105 4.772 -28.344 -12.726 701 HB2 ALA 105 1HB ALA 105 4.479 -29.568 -13.962 702 HB3 ALA 105 2HB ALA 105 3.463 -28.129 -13.887 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -12.142 32.638 0.722 2 HA2 GLY 1 1HA GLY 1 -10.604 34.957 0.906 3 HA3 GLY 1 2HA GLY 1 -10.862 34.379 2.545 4 H SER 2 H SER 2 -8.405 34.331 2.253 5 HA SER 2 HA SER 2 -7.547 31.823 0.985 6 HB2 SER 2 1HB SER 2 -5.343 32.715 0.899 7 HB3 SER 2 2HB SER 2 -6.410 34.031 0.408 8 HG SER 2 HG SER 2 -6.278 34.797 2.588 9 H SER 3 H SER 3 -7.400 30.127 2.279 10 HA SER 3 HA SER 3 -7.058 30.504 5.149 11 HB2 SER 3 1HB SER 3 -7.600 28.111 5.317 12 HB3 SER 3 2HB SER 3 -8.814 28.969 4.369 13 HG SER 3 HG SER 3 -8.381 27.295 3.097 14 H GLY 4 H GLY 4 -4.985 30.826 5.710 15 HA2 GLY 4 1HA GLY 4 -2.859 30.063 6.287 16 HA3 GLY 4 2HA GLY 4 -3.103 28.670 5.245 17 H SER 5 H SER 5 -0.896 29.056 4.554 18 HA SER 5 HA SER 5 -0.712 31.234 2.576 19 HB2 SER 5 1HB SER 5 1.755 31.144 2.932 20 HB3 SER 5 2HB SER 5 0.865 31.619 4.379 21 HG SER 5 HG SER 5 2.611 29.839 4.401 22 H SER 6 H SER 6 -1.208 30.268 0.692 23 HA SER 6 HA SER 6 -1.288 28.659 -0.958 24 HB2 SER 6 1HB SER 6 0.788 30.027 -1.359 25 HB3 SER 6 2HB SER 6 1.708 28.755 -0.556 26 HG SER 6 HG SER 6 -0.009 28.073 -2.664 27 H GLY 7 H GLY 7 -1.706 27.466 1.550 28 HA2 GLY 7 1HA GLY 7 -0.237 24.918 1.264 29 HA3 GLY 7 2HA GLY 7 -0.860 25.526 2.791 30 H GLU 8 H GLU 8 -1.687 24.039 -0.265 31 HA GLU 8 HA GLU 8 -4.295 23.293 0.885 32 HB2 GLU 8 1HB GLU 8 -5.228 23.299 -1.389 33 HB3 GLU 8 2HB GLU 8 -4.631 24.887 -0.927 34 HG2 GLU 8 1HG GLU 8 -2.675 24.618 -2.271 35 HG3 GLU 8 2HG GLU 8 -3.076 22.934 -2.604 36 H GLY 9 H GLY 9 -5.103 21.213 0.327 37 HA2 GLY 9 1HA GLY 9 -4.964 19.002 -0.359 38 HA3 GLY 9 2HA GLY 9 -3.460 19.386 -1.183 39 H GLY 10 H GLY 10 -3.747 17.018 0.198 40 HA2 GLY 10 1HA GLY 10 -1.479 17.020 1.850 41 HA3 GLY 10 2HA GLY 10 -2.901 17.082 2.881 42 H ALA 11 H ALA 11 -2.994 15.094 3.747 43 HA ALA 11 HA ALA 11 -2.252 12.715 2.416 44 HB1 ALA 11 3HB ALA 11 -4.157 12.771 4.728 45 HB2 ALA 11 1HB ALA 11 -2.912 11.584 4.338 46 HB3 ALA 11 2HB ALA 11 -2.455 13.178 4.940 47 H HIS 12 H HIS 12 -5.516 13.678 3.501 48 HA HIS 12 HA HIS 12 -7.092 11.849 2.364 49 HB2 HIS 12 1HB HIS 12 -8.823 13.544 2.062 50 HB3 HIS 12 2HB HIS 12 -7.942 13.829 3.561 51 HD1 HIS 12 1HD HIS 12 -6.064 15.779 3.397 52 HD2 HIS 12 2HD HIS 12 -8.934 15.690 0.394 53 HE1 HIS 12 1HE HIS 12 -5.976 18.047 2.314 54 H LYS 13 H LYS 13 -5.568 14.508 0.592 55 HA LYS 13 HA LYS 13 -6.737 14.126 -1.897 56 HB2 LYS 13 1HB LYS 13 -4.045 15.162 -1.054 57 HB3 LYS 13 2HB LYS 13 -4.474 15.041 -2.756 58 HG2 LYS 13 1HG LYS 13 -6.271 16.473 -0.846 59 HG3 LYS 13 2HG LYS 13 -4.841 17.271 -1.504 60 HD2 LYS 13 1HD LYS 13 -6.379 17.876 -3.083 61 HD3 LYS 13 2HD LYS 13 -5.819 16.355 -3.784 62 HE2 LYS 13 1HE LYS 13 -7.749 15.237 -3.237 63 HE3 LYS 13 2HE LYS 13 -8.105 16.298 -1.874 64 HZ1 LYS 13 3HZ LYS 13 -8.685 18.046 -3.456 65 HZ2 LYS 13 1HZ LYS 13 -9.652 16.675 -3.671 66 HZ3 LYS 13 2HZ LYS 13 -8.387 16.995 -4.747 67 H VAL 14 H VAL 14 -3.641 12.790 -0.731 68 HA VAL 14 HA VAL 14 -2.762 11.323 -2.789 69 HB VAL 14 HB VAL 14 -2.991 10.296 0.042 70 HG11 VAL 14 1HG1 VAL 14 -1.026 8.897 -0.589 71 HG12 VAL 14 2HG1 VAL 14 -2.521 8.450 -1.411 72 HG13 VAL 14 3HG1 VAL 14 -1.286 9.375 -2.265 73 HG21 VAL 14 3HG2 VAL 14 -0.699 11.135 0.282 74 HG22 VAL 14 1HG2 VAL 14 -0.770 11.784 -1.356 75 HG23 VAL 14 2HG2 VAL 14 -1.829 12.431 -0.104 76 H ARG 15 H ARG 15 -3.031 9.163 -3.563 77 HA ARG 15 HA ARG 15 -5.416 7.698 -2.825 78 HB2 ARG 15 1HB ARG 15 -6.214 9.391 -4.473 79 HB3 ARG 15 2HB ARG 15 -5.100 8.716 -5.652 80 HG2 ARG 15 1HG ARG 15 -6.332 6.485 -5.157 81 HG3 ARG 15 2HG ARG 15 -7.597 7.540 -4.522 82 HD2 ARG 15 1HD ARG 15 -7.424 8.789 -6.742 83 HD3 ARG 15 2HD ARG 15 -6.498 7.403 -7.314 84 HE ARG 15 HE ARG 15 -8.433 6.156 -7.364 85 HH11 ARG 15 1HH1 ARG 15 -9.005 9.169 -5.717 86 HH12 ARG 15 2HH1 ARG 15 -10.727 8.976 -5.685 87 HH21 ARG 15 1HH2 ARG 15 -10.699 5.889 -7.328 88 HH22 ARG 15 2HH2 ARG 15 -11.688 7.109 -6.602 89 H ALA 16 H ALA 16 -5.055 5.577 -2.990 90 HA ALA 16 HA ALA 16 -2.982 4.635 -4.852 91 HB1 ALA 16 3HB ALA 16 -3.103 4.297 -1.916 92 HB2 ALA 16 1HB ALA 16 -2.609 2.892 -2.863 93 HB3 ALA 16 2HB ALA 16 -1.709 4.404 -2.993 94 H GLY 17 H GLY 17 -3.356 2.668 -5.818 95 HA2 GLY 17 1HA GLY 17 -5.321 0.815 -4.939 96 HA3 GLY 17 2HA GLY 17 -5.969 1.829 -6.219 97 H GLY 18 H GLY 18 -3.259 -0.322 -5.430 98 HA2 GLY 18 1HA GLY 18 -2.939 -0.855 -8.311 99 HA3 GLY 18 2HA GLY 18 -1.713 -1.146 -7.087 100 HA PRO 19 HA PRO 19 -4.100 -5.079 -8.114 101 HB2 PRO 19 1HB PRO 19 -1.999 -6.466 -9.130 102 HB3 PRO 19 2HB PRO 19 -3.048 -5.449 -10.124 103 HG2 PRO 19 1HG PRO 19 -0.352 -4.837 -8.974 104 HG3 PRO 19 2HG PRO 19 -0.985 -4.484 -10.592 105 HD2 PRO 19 1HD PRO 19 -0.866 -2.615 -8.636 106 HD3 PRO 19 2HD PRO 19 -2.139 -2.623 -9.873 107 H GLY 20 H GLY 20 -0.746 -4.721 -6.958 108 HA2 GLY 20 1HA GLY 20 -0.635 -7.073 -5.441 109 HA3 GLY 20 2HA GLY 20 0.345 -5.641 -5.161 110 H LEU 21 H LEU 21 -1.870 -3.879 -4.625 111 HA LEU 21 HA LEU 21 -2.151 -4.356 -1.845 112 HB2 LEU 21 1HB LEU 21 -3.453 -2.393 -3.714 113 HB3 LEU 21 2HB LEU 21 -3.771 -2.419 -1.981 114 HG LEU 21 HG LEU 21 -1.015 -2.039 -3.132 115 HD11 LEU 21 1HD1 LEU 21 -3.203 -0.067 -2.646 116 HD12 LEU 21 2HD1 LEU 21 -2.048 -0.161 -3.974 117 HD13 LEU 21 3HD1 LEU 21 -1.523 0.402 -2.388 118 HD21 LEU 21 3HD2 LEU 21 -2.260 -1.738 -0.417 119 HD22 LEU 21 1HD2 LEU 21 -0.752 -0.929 -0.845 120 HD23 LEU 21 2HD2 LEU 21 -0.851 -2.690 -0.888 121 H GLU 22 H GLU 22 -4.056 -5.184 -4.612 122 HA GLU 22 HA GLU 22 -6.530 -5.586 -3.274 123 HB2 GLU 22 1HB GLU 22 -5.488 -6.760 -5.857 124 HB3 GLU 22 2HB GLU 22 -7.151 -6.878 -5.300 125 HG2 GLU 22 1HG GLU 22 -5.923 -4.184 -5.550 126 HG3 GLU 22 2HG GLU 22 -6.409 -5.037 -7.014 127 H ARG 23 H ARG 23 -3.976 -7.831 -4.327 128 HA ARG 23 HA ARG 23 -4.536 -9.562 -2.081 129 HB2 ARG 23 1HB ARG 23 -6.058 -10.129 -4.173 130 HB3 ARG 23 2HB ARG 23 -4.596 -10.931 -4.731 131 HG2 ARG 23 1HG ARG 23 -4.664 -11.987 -2.317 132 HG3 ARG 23 2HG ARG 23 -6.381 -11.601 -2.457 133 HD2 ARG 23 1HD ARG 23 -4.868 -13.119 -4.568 134 HD3 ARG 23 2HD ARG 23 -5.679 -13.912 -3.219 135 HE ARG 23 HE ARG 23 -6.900 -12.925 -5.570 136 HH11 ARG 23 1HH1 ARG 23 -7.396 -13.193 -2.134 137 HH12 ARG 23 2HH1 ARG 23 -9.125 -13.201 -2.253 138 HH21 ARG 23 1HH2 ARG 23 -9.175 -12.935 -5.740 139 HH22 ARG 23 2HH2 ARG 23 -10.135 -13.054 -4.304 140 H GLY 24 H GLY 24 -2.914 -11.203 -1.777 141 HA2 GLY 24 1HA GLY 24 -0.499 -10.840 -3.429 142 HA3 GLY 24 2HA GLY 24 -0.397 -10.735 -1.677 143 H GLU 25 H GLU 25 1.155 -12.539 -3.025 144 HA GLU 25 HA GLU 25 -0.059 -15.089 -2.202 145 HB2 GLU 25 1HB GLU 25 1.238 -14.380 -4.787 146 HB3 GLU 25 2HB GLU 25 1.539 -15.985 -4.136 147 HG2 GLU 25 1HG GLU 25 -0.284 -16.347 -5.482 148 HG3 GLU 25 2HG GLU 25 -1.037 -16.104 -3.907 149 H ALA 26 H ALA 26 1.059 -15.901 -0.569 150 HA ALA 26 HA ALA 26 3.424 -15.008 0.471 151 HB1 ALA 26 3HB ALA 26 1.682 -17.152 0.966 152 HB2 ALA 26 1HB ALA 26 3.299 -17.847 0.849 153 HB3 ALA 26 2HB ALA 26 2.976 -16.551 2.002 154 H GLY 27 H GLY 27 5.469 -14.998 -0.188 155 HA2 GLY 27 1HA GLY 27 7.439 -16.115 -0.949 156 HA3 GLY 27 2HA GLY 27 6.424 -17.186 -1.902 157 H VAL 28 H VAL 28 4.816 -14.903 -2.904 158 HA VAL 28 HA VAL 28 6.703 -14.053 -4.983 159 HB VAL 28 HB VAL 28 3.681 -14.002 -4.983 160 HG11 VAL 28 1HG1 VAL 28 4.946 -12.244 -6.350 161 HG12 VAL 28 2HG1 VAL 28 5.461 -13.593 -7.364 162 HG13 VAL 28 3HG1 VAL 28 3.744 -13.226 -7.187 163 HG21 VAL 28 3HG2 VAL 28 4.482 -15.692 -6.981 164 HG22 VAL 28 1HG2 VAL 28 5.657 -16.030 -5.710 165 HG23 VAL 28 2HG2 VAL 28 3.932 -16.194 -5.382 166 HA PRO 29 HA PRO 29 6.729 -9.925 -3.423 167 HB2 PRO 29 1HB PRO 29 7.629 -8.674 -5.658 168 HB3 PRO 29 2HB PRO 29 8.672 -9.656 -4.621 169 HG2 PRO 29 1HG PRO 29 7.337 -10.387 -7.199 170 HG3 PRO 29 2HG PRO 29 8.987 -10.740 -6.654 171 HD2 PRO 29 1HD PRO 29 6.993 -12.569 -6.544 172 HD3 PRO 29 2HD PRO 29 8.311 -12.520 -5.356 173 H ALA 30 H ALA 30 5.062 -8.594 -3.147 174 HA ALA 30 HA ALA 30 3.229 -8.142 -5.413 175 HB1 ALA 30 3HB ALA 30 2.670 -8.303 -2.462 176 HB2 ALA 30 1HB ALA 30 1.519 -7.642 -3.622 177 HB3 ALA 30 2HB ALA 30 2.034 -9.325 -3.751 178 H GLU 31 H GLU 31 3.925 -6.254 -6.270 179 HA GLU 31 HA GLU 31 4.315 -3.980 -4.442 180 HB2 GLU 31 1HB GLU 31 5.687 -2.960 -6.132 181 HB3 GLU 31 2HB GLU 31 6.252 -4.606 -5.879 182 HG2 GLU 31 1HG GLU 31 4.337 -3.924 -8.080 183 HG3 GLU 31 2HG GLU 31 6.080 -3.751 -8.276 184 H PHE 32 H PHE 32 3.699 -1.829 -5.408 185 HA PHE 32 HA PHE 32 1.455 -1.953 -7.267 186 HB2 PHE 32 1HB PHE 32 0.209 -0.375 -5.607 187 HB3 PHE 32 2HB PHE 32 0.159 -2.115 -5.343 188 HD1 PHE 32 2HD PHE 32 1.593 -3.135 -3.595 189 HD2 PHE 32 1HD PHE 32 1.218 1.081 -4.045 190 HE1 PHE 32 2HE PHE 32 2.490 -2.816 -1.326 191 HE2 PHE 32 1HE PHE 32 2.114 1.407 -1.776 192 HZ PHE 32 HZ PHE 32 2.750 -0.543 -0.414 193 H SER 33 H SER 33 0.602 0.396 -7.611 194 HA SER 33 HA SER 33 2.952 2.165 -7.810 195 HB2 SER 33 1HB SER 33 0.599 1.847 -9.684 196 HB3 SER 33 2HB SER 33 1.780 3.150 -9.810 197 HG SER 33 HG SER 33 2.924 1.784 -10.907 198 H ILE 34 H ILE 34 2.815 4.173 -6.998 199 HA ILE 34 HA ILE 34 0.200 5.030 -5.940 200 HB ILE 34 HB ILE 34 2.936 5.759 -4.886 201 HG12 ILE 34 1HG1 ILE 34 0.866 4.044 -3.521 202 HG13 ILE 34 2HG1 ILE 34 2.115 3.354 -4.552 203 HG21 ILE 34 1HG2 ILE 34 1.925 7.073 -3.298 204 HG22 ILE 34 2HG2 ILE 34 0.860 7.343 -4.677 205 HG23 ILE 34 3HG2 ILE 34 0.389 6.213 -3.408 206 HD11 ILE 34 3HD1 ILE 34 2.391 4.728 -1.916 207 HD12 ILE 34 1HD1 ILE 34 3.004 3.156 -2.430 208 HD13 ILE 34 2HD1 ILE 34 3.753 4.635 -3.032 209 H TRP 35 H TRP 35 -0.652 6.632 -7.075 210 HA TRP 35 HA TRP 35 1.126 8.500 -8.475 211 HB2 TRP 35 1HB TRP 35 -1.852 8.128 -8.839 212 HB3 TRP 35 2HB TRP 35 -0.767 9.055 -9.872 213 HD1 TRP 35 HD TRP 35 -2.491 5.905 -9.903 214 HE1 TRP 35 1HE TRP 35 -1.349 4.188 -11.443 215 HE3 TRP 35 3HE TRP 35 2.034 8.212 -10.473 216 HZ2 TRP 35 2HZ TRP 35 1.142 3.855 -12.728 217 HZ3 TRP 35 3HZ TRP 35 3.742 7.128 -11.874 218 HH2 TRP 35 HH TRP 35 3.304 4.995 -12.977 219 H THR 36 H THR 36 1.661 10.056 -7.029 220 HA THR 36 HA THR 36 -0.328 11.198 -5.261 221 HB THR 36 HB THR 36 1.517 12.643 -4.465 222 HG1 THR 36 1HG THR 36 3.669 11.933 -5.340 223 HG21 THR 36 3HG2 THR 36 2.657 10.966 -3.282 224 HG22 THR 36 1HG2 THR 36 2.525 9.814 -4.610 225 HG23 THR 36 2HG2 THR 36 1.097 10.239 -3.667 226 H ARG 37 H ARG 37 -1.051 11.563 -7.913 227 HA ARG 37 HA ARG 37 -0.229 14.030 -9.010 228 HB2 ARG 37 1HB ARG 37 -1.519 12.084 -10.119 229 HB3 ARG 37 2HB ARG 37 -2.956 12.840 -9.445 230 HG2 ARG 37 1HG ARG 37 -1.059 14.466 -11.075 231 HG3 ARG 37 2HG ARG 37 -2.208 13.389 -11.870 232 HD2 ARG 37 1HD ARG 37 -3.464 15.292 -11.782 233 HD3 ARG 37 2HD ARG 37 -3.909 14.571 -10.236 234 HE ARG 37 HE ARG 37 -2.894 16.323 -9.180 235 HH11 ARG 37 1HH1 ARG 37 -1.739 16.166 -12.461 236 HH12 ARG 37 2HH1 ARG 37 -0.847 17.647 -12.355 237 HH21 ARG 37 1HH2 ARG 37 -1.724 18.274 -9.029 238 HH22 ARG 37 2HH2 ARG 37 -0.838 18.845 -10.403 239 H GLU 38 H GLU 38 -3.148 13.166 -7.155 240 HA GLU 38 HA GLU 38 -4.181 15.783 -7.017 241 HB2 GLU 38 1HB GLU 38 -4.656 13.253 -5.490 242 HB3 GLU 38 2HB GLU 38 -5.353 14.757 -4.903 243 HG2 GLU 38 1HG GLU 38 -6.608 15.047 -6.905 244 HG3 GLU 38 2HG GLU 38 -5.768 13.711 -7.690 245 H ALA 39 H ALA 39 -2.419 13.883 -4.568 246 HA ALA 39 HA ALA 39 -2.249 15.768 -2.570 247 HB1 ALA 39 3HB ALA 39 -0.267 14.586 -1.786 248 HB2 ALA 39 1HB ALA 39 -1.509 13.451 -2.317 249 HB3 ALA 39 2HB ALA 39 -0.117 13.782 -3.349 250 H GLY 40 H GLY 40 0.441 15.106 -4.825 251 HA2 GLY 40 1HA GLY 40 1.374 16.953 -6.137 252 HA3 GLY 40 2HA GLY 40 1.052 17.996 -4.759 253 H ALA 41 H ALA 41 2.157 17.155 -2.663 254 HA ALA 41 HA ALA 41 4.717 15.873 -3.133 255 HB1 ALA 41 3HB ALA 41 5.102 18.384 -1.693 256 HB2 ALA 41 1HB ALA 41 6.068 17.648 -2.972 257 HB3 ALA 41 2HB ALA 41 4.639 18.596 -3.382 258 H GLY 42 H GLY 42 5.617 14.987 -1.291 259 HA2 GLY 42 1HA GLY 42 5.291 15.569 1.333 260 HA3 GLY 42 2HA GLY 42 3.812 14.700 0.947 261 H GLY 43 H GLY 43 5.798 13.863 2.818 262 HA2 GLY 43 1HA GLY 43 7.485 11.876 1.660 263 HA3 GLY 43 2HA GLY 43 7.108 12.052 3.368 264 H LEU 44 H LEU 44 7.329 9.558 2.623 265 HA LEU 44 HA LEU 44 4.604 8.562 2.772 266 HB2 LEU 44 1HB LEU 44 6.434 8.116 0.475 267 HB3 LEU 44 2HB LEU 44 5.441 6.764 1.015 268 HG LEU 44 HG LEU 44 4.347 9.448 0.181 269 HD11 LEU 44 1HD1 LEU 44 4.048 8.695 -1.949 270 HD12 LEU 44 2HD1 LEU 44 4.021 7.000 -1.468 271 HD13 LEU 44 3HD1 LEU 44 5.554 7.866 -1.554 272 HD21 LEU 44 3HD2 LEU 44 2.804 8.396 1.620 273 HD22 LEU 44 1HD2 LEU 44 3.097 6.811 0.904 274 HD23 LEU 44 2HD2 LEU 44 2.241 8.050 -0.015 275 H SER 45 H SER 45 4.643 7.330 4.525 276 HA SER 45 HA SER 45 7.051 5.732 5.081 277 HB2 SER 45 1HB SER 45 4.937 6.916 6.867 278 HB3 SER 45 2HB SER 45 5.951 5.584 7.422 279 HG SER 45 HG SER 45 7.710 7.112 6.544 280 H ILE 46 H ILE 46 6.834 3.733 4.315 281 HA ILE 46 HA ILE 46 4.235 2.384 4.627 282 HB ILE 46 HB ILE 46 6.458 1.799 2.669 283 HG12 ILE 46 1HG1 ILE 46 3.643 2.618 2.002 284 HG13 ILE 46 2HG1 ILE 46 4.875 3.826 2.349 285 HG21 ILE 46 1HG2 ILE 46 4.366 0.127 3.678 286 HG22 ILE 46 2HG2 ILE 46 4.102 0.440 1.964 287 HG23 ILE 46 3HG2 ILE 46 5.629 -0.253 2.509 288 HD11 ILE 46 3HD1 ILE 46 5.563 3.710 0.258 289 HD12 ILE 46 1HD1 ILE 46 5.958 2.006 0.476 290 HD13 ILE 46 2HD1 ILE 46 4.352 2.475 -0.081 291 H ALA 47 H ALA 47 4.106 0.734 5.998 292 HA ALA 47 HA ALA 47 6.530 -0.780 6.657 293 HB1 ALA 47 3HB ALA 47 5.905 1.077 8.361 294 HB2 ALA 47 1HB ALA 47 4.637 -0.048 8.850 295 HB3 ALA 47 2HB ALA 47 6.331 -0.531 8.945 296 H VAL 48 H VAL 48 6.068 -2.775 5.994 297 HA VAL 48 HA VAL 48 3.364 -3.790 6.011 298 HB VAL 48 HB VAL 48 5.928 -5.217 5.294 299 HG11 VAL 48 1HG1 VAL 48 3.592 -6.176 3.950 300 HG12 VAL 48 2HG1 VAL 48 4.705 -7.047 5.005 301 HG13 VAL 48 3HG1 VAL 48 3.321 -6.196 5.691 302 HG21 VAL 48 3HG2 VAL 48 4.865 -4.804 2.928 303 HG22 VAL 48 1HG2 VAL 48 4.099 -3.443 3.749 304 HG23 VAL 48 2HG2 VAL 48 5.858 -3.566 3.699 305 H GLU 49 H GLU 49 2.454 -4.821 7.655 306 HA GLU 49 HA GLU 49 4.166 -6.334 9.507 307 HB2 GLU 49 1HB GLU 49 1.866 -4.539 10.299 308 HB3 GLU 49 2HB GLU 49 2.783 -5.564 11.392 309 HG2 GLU 49 1HG GLU 49 4.717 -4.258 11.177 310 HG3 GLU 49 2HG GLU 49 4.096 -3.428 9.750 311 H GLY 50 H GLY 50 3.560 -8.386 9.639 312 HA2 GLY 50 1HA GLY 50 0.714 -9.059 9.545 313 HA3 GLY 50 2HA GLY 50 1.754 -9.783 8.327 314 HA PRO 51 HA PRO 51 1.611 -12.665 11.940 315 HB2 PRO 51 1HB PRO 51 1.333 -14.903 10.430 316 HB3 PRO 51 2HB PRO 51 -0.039 -13.915 10.943 317 HG2 PRO 51 1HG PRO 51 1.392 -13.950 8.314 318 HG3 PRO 51 2HG PRO 51 -0.349 -13.874 8.639 319 HD2 PRO 51 1HD PRO 51 1.108 -11.685 7.991 320 HD3 PRO 51 2HD PRO 51 -0.297 -11.611 9.073 321 H SER 52 H SER 52 3.604 -12.115 9.251 322 HA SER 52 HA SER 52 5.829 -13.432 10.568 323 HB2 SER 52 1HB SER 52 4.873 -14.215 7.811 324 HB3 SER 52 2HB SER 52 6.510 -14.539 8.382 325 HG SER 52 HG SER 52 5.769 -16.135 9.526 326 H LYS 53 H LYS 53 7.916 -12.896 9.517 327 HA LYS 53 HA LYS 53 8.157 -10.145 9.071 328 HB2 LYS 53 1HB LYS 53 9.942 -11.851 9.806 329 HB3 LYS 53 2HB LYS 53 10.171 -12.154 8.089 330 HG2 LYS 53 1HG LYS 53 10.457 -9.574 7.947 331 HG3 LYS 53 2HG LYS 53 10.779 -9.703 9.677 332 HD2 LYS 53 1HD LYS 53 12.892 -9.850 8.664 333 HD3 LYS 53 2HD LYS 53 12.465 -11.518 9.052 334 HE2 LYS 53 1HE LYS 53 12.107 -12.078 6.847 335 HE3 LYS 53 2HE LYS 53 11.748 -10.419 6.373 336 HZ1 LYS 53 3HZ LYS 53 14.234 -11.800 6.339 337 HZ2 LYS 53 1HZ LYS 53 14.352 -10.375 7.244 338 HZ3 LYS 53 2HZ LYS 53 13.824 -10.316 5.639 339 H ALA 54 H ALA 54 8.316 -8.891 7.266 340 HA ALA 54 HA ALA 54 7.989 -10.224 4.661 341 HB1 ALA 54 3HB ALA 54 6.482 -8.376 3.982 342 HB2 ALA 54 1HB ALA 54 5.826 -9.376 5.279 343 HB3 ALA 54 2HB ALA 54 6.507 -7.791 5.646 344 H GLU 55 H GLU 55 9.217 -9.456 3.024 345 HA GLU 55 HA GLU 55 11.273 -7.536 3.690 346 HB2 GLU 55 1HB GLU 55 11.472 -9.730 2.274 347 HB3 GLU 55 2HB GLU 55 10.918 -8.708 0.955 348 HG2 GLU 55 1HG GLU 55 12.835 -7.460 0.928 349 HG3 GLU 55 2HG GLU 55 13.198 -7.778 2.623 350 H ILE 56 H ILE 56 11.752 -5.660 2.423 351 HA ILE 56 HA ILE 56 9.584 -4.629 0.752 352 HB ILE 56 HB ILE 56 10.743 -3.068 3.063 353 HG12 ILE 56 1HG1 ILE 56 7.857 -3.836 2.772 354 HG13 ILE 56 2HG1 ILE 56 9.003 -4.975 3.471 355 HG21 ILE 56 1HG2 ILE 56 10.177 -1.310 1.808 356 HG22 ILE 56 2HG2 ILE 56 9.268 -2.305 0.672 357 HG23 ILE 56 3HG2 ILE 56 8.507 -1.750 2.162 358 HD11 ILE 56 3HD1 ILE 56 9.061 -2.252 4.584 359 HD12 ILE 56 1HD1 ILE 56 7.604 -3.193 4.901 360 HD13 ILE 56 2HD1 ILE 56 9.181 -3.816 5.388 361 H THR 57 H THR 57 10.432 -3.926 -1.081 362 HA THR 57 HA THR 57 13.194 -2.898 -1.058 363 HB THR 57 HB THR 57 11.730 -4.140 -3.394 364 HG1 THR 57 1HG THR 57 13.421 -5.198 -1.413 365 HG21 THR 57 3HG2 THR 57 13.807 -4.051 -4.555 366 HG22 THR 57 1HG2 THR 57 14.672 -3.544 -3.104 367 HG23 THR 57 2HG2 THR 57 13.535 -2.444 -3.883 368 H PHE 58 H PHE 58 13.195 -0.749 -1.148 369 HA PHE 58 HA PHE 58 11.283 0.570 -2.963 370 HB2 PHE 58 1HB PHE 58 11.026 0.964 -0.433 371 HB3 PHE 58 2HB PHE 58 12.507 1.907 -0.559 372 HD1 PHE 58 2HD PHE 58 12.447 3.650 -2.601 373 HD2 PHE 58 1HD PHE 58 9.054 2.116 -0.540 374 HE1 PHE 58 2HE PHE 58 11.138 5.613 -3.301 375 HE2 PHE 58 1HE PHE 58 7.739 4.074 -1.237 376 HZ PHE 58 HZ PHE 58 8.782 5.827 -2.618 377 H ASP 59 H ASP 59 12.570 0.740 -4.750 378 HA ASP 59 HA ASP 59 15.075 2.260 -4.428 379 HB2 ASP 59 1HB ASP 59 14.365 0.303 -6.625 380 HB3 ASP 59 2HB ASP 59 15.889 1.172 -6.462 381 H ASP 60 H ASP 60 15.288 4.135 -5.496 382 HA ASP 60 HA ASP 60 13.014 5.047 -7.088 383 HB2 ASP 60 1HB ASP 60 13.984 7.288 -6.821 384 HB3 ASP 60 2HB ASP 60 13.776 6.495 -5.262 385 H HIS 61 H HIS 61 13.110 5.508 -9.218 386 HA HIS 61 HA HIS 61 15.546 5.951 -10.629 387 HB2 HIS 61 1HB HIS 61 15.335 3.367 -10.199 388 HB3 HIS 61 2HB HIS 61 14.168 3.443 -11.516 389 HD1 HIS 61 1HD HIS 61 17.223 2.195 -11.365 390 HD2 HIS 61 2HD HIS 61 15.851 5.504 -13.471 391 HE1 HIS 61 1HE HIS 61 18.862 2.524 -13.243 392 H LYS 62 H LYS 62 15.002 7.377 -12.127 393 HA LYS 62 HA LYS 62 12.459 8.166 -12.801 394 HB2 LYS 62 1HB LYS 62 14.689 9.303 -13.327 395 HB3 LYS 62 2HB LYS 62 14.750 8.280 -14.757 396 HG2 LYS 62 1HG LYS 62 13.855 10.290 -15.517 397 HG3 LYS 62 2HG LYS 62 12.451 9.236 -15.324 398 HD2 LYS 62 1HD LYS 62 11.760 11.238 -14.354 399 HD3 LYS 62 2HD LYS 62 12.274 10.273 -12.969 400 HE2 LYS 62 1HE LYS 62 14.324 11.452 -12.798 401 HE3 LYS 62 2HE LYS 62 14.091 12.221 -14.367 402 HZ1 LYS 62 3HZ LYS 62 13.627 13.710 -12.487 403 HZ2 LYS 62 1HZ LYS 62 12.374 12.688 -11.991 404 HZ3 LYS 62 2HZ LYS 62 12.274 13.488 -13.478 405 H ASN 63 H ASN 63 14.563 6.256 -14.964 406 HA ASN 63 HA ASN 63 12.369 5.485 -16.625 407 HB2 ASN 63 1HB ASN 63 14.910 5.712 -17.204 408 HB3 ASN 63 2HB ASN 63 15.004 4.051 -16.626 409 HD21 ASN 63 1HD2 ASN 63 15.583 4.831 -19.242 410 HD22 ASN 63 2HD2 ASN 63 14.413 4.120 -20.297 411 H GLY 64 H GLY 64 13.941 4.145 -13.834 412 HA2 GLY 64 1HA GLY 64 12.712 1.527 -14.215 413 HA3 GLY 64 2HA GLY 64 13.806 1.986 -12.918 414 H SER 65 H SER 65 10.614 3.051 -14.108 415 HA SER 65 HA SER 65 9.724 3.625 -11.435 416 HB2 SER 65 1HB SER 65 8.417 3.726 -14.146 417 HB3 SER 65 2HB SER 65 7.486 3.979 -12.669 418 HG SER 65 HG SER 65 9.856 5.424 -13.035 419 H CYS 66 H CYS 66 9.271 2.010 -10.091 420 HA CYS 66 HA CYS 66 7.560 -0.171 -11.075 421 HB2 CYS 66 1HB CYS 66 9.808 -1.069 -10.865 422 HB3 CYS 66 2HB CYS 66 9.943 -0.431 -9.230 423 HG CYS 66 HG CYS 66 9.506 -2.885 -8.458 424 H GLY 67 H GLY 67 8.706 1.671 -8.278 425 HA2 GLY 67 1HA GLY 67 7.153 2.629 -6.724 426 HA3 GLY 67 2HA GLY 67 6.048 1.309 -7.070 427 H VAL 68 H VAL 68 5.765 0.674 -4.954 428 HA VAL 68 HA VAL 68 8.156 -0.196 -3.485 429 HB VAL 68 HB VAL 68 5.337 0.202 -2.472 430 HG11 VAL 68 1HG1 VAL 68 5.977 -0.562 -0.446 431 HG12 VAL 68 2HG1 VAL 68 7.168 -1.453 -1.395 432 HG13 VAL 68 3HG1 VAL 68 7.618 0.061 -0.610 433 HG21 VAL 68 3HG2 VAL 68 5.833 2.361 -2.317 434 HG22 VAL 68 1HG2 VAL 68 7.171 1.958 -1.241 435 HG23 VAL 68 2HG2 VAL 68 7.440 2.067 -2.981 436 H SER 69 H SER 69 8.577 -2.289 -3.195 437 HA SER 69 HA SER 69 6.445 -4.233 -3.799 438 HB2 SER 69 1HB SER 69 7.933 -5.599 -4.963 439 HB3 SER 69 2HB SER 69 8.472 -3.987 -5.431 440 HG SER 69 HG SER 69 10.330 -4.698 -4.736 441 H TYR 70 H TYR 70 6.372 -6.128 -2.564 442 HA TYR 70 HA TYR 70 8.227 -6.458 -0.357 443 HB2 TYR 70 1HB TYR 70 6.694 -6.210 1.399 444 HB3 TYR 70 2HB TYR 70 6.335 -4.851 0.340 445 HD1 TYR 70 1HD TYR 70 5.169 -8.148 1.495 446 HD2 TYR 70 2HD TYR 70 4.229 -4.687 -0.795 447 HE1 TYR 70 1HE TYR 70 2.820 -8.869 1.381 448 HE2 TYR 70 2HE TYR 70 1.878 -5.398 -0.914 449 HH TYR 70 HH TYR 70 0.395 -7.161 0.868 450 H ILE 71 H ILE 71 8.278 -8.536 0.460 451 HA ILE 71 HA ILE 71 6.524 -10.483 -0.890 452 HB ILE 71 HB ILE 71 9.446 -10.707 -0.193 453 HG12 ILE 71 1HG1 ILE 71 8.048 -11.297 -2.801 454 HG13 ILE 71 2HG1 ILE 71 8.648 -9.693 -2.394 455 HG21 ILE 71 1HG2 ILE 71 8.722 -12.787 0.505 456 HG22 ILE 71 2HG2 ILE 71 7.422 -12.849 -0.685 457 HG23 ILE 71 3HG2 ILE 71 9.095 -13.081 -1.193 458 HD11 ILE 71 3HD1 ILE 71 10.729 -11.572 -1.942 459 HD12 ILE 71 1HD1 ILE 71 10.047 -11.852 -3.545 460 HD13 ILE 71 2HD1 ILE 71 10.657 -10.255 -3.112 461 H ALA 72 H ALA 72 5.712 -12.182 0.305 462 HA ALA 72 HA ALA 72 6.155 -12.024 3.217 463 HB1 ALA 72 3HB ALA 72 3.676 -12.201 1.623 464 HB2 ALA 72 1HB ALA 72 3.739 -13.186 3.085 465 HB3 ALA 72 2HB ALA 72 3.972 -11.440 3.186 466 H GLN 73 H GLN 73 7.519 -13.655 3.659 467 HA GLN 73 HA GLN 73 7.833 -16.032 2.274 468 HB2 GLN 73 1HB GLN 73 8.412 -15.228 5.105 469 HB3 GLN 73 2HB GLN 73 8.683 -16.885 4.586 470 HG2 GLN 73 1HG GLN 73 9.979 -14.396 3.506 471 HG3 GLN 73 2HG GLN 73 10.741 -15.701 4.415 472 HE21 GLN 73 1HE2 GLN 73 9.894 -14.527 1.356 473 HE22 GLN 73 2HE2 GLN 73 10.383 -15.897 0.425 474 H GLU 74 H GLU 74 5.679 -15.287 4.975 475 HA GLU 74 HA GLU 74 4.421 -17.927 4.618 476 HB2 GLU 74 1HB GLU 74 4.215 -16.145 7.046 477 HB3 GLU 74 2HB GLU 74 3.676 -17.812 6.900 478 HG2 GLU 74 1HG GLU 74 6.184 -18.288 6.395 479 HG3 GLU 74 2HG GLU 74 6.439 -16.735 7.187 480 HA PRO 75 HA PRO 75 0.789 -15.943 3.125 481 HB2 PRO 75 1HB PRO 75 -1.041 -17.849 3.751 482 HB3 PRO 75 2HB PRO 75 0.118 -18.028 2.429 483 HG2 PRO 75 1HG PRO 75 0.228 -19.136 5.207 484 HG3 PRO 75 2HG PRO 75 0.623 -19.927 3.670 485 HD2 PRO 75 1HD PRO 75 2.521 -18.936 5.326 486 HD3 PRO 75 2HD PRO 75 2.711 -18.958 3.561 487 H GLY 76 H GLY 76 -1.075 -14.852 3.817 488 HA2 GLY 76 1HA GLY 76 -2.607 -14.954 5.982 489 HA3 GLY 76 2HA GLY 76 -1.128 -14.315 6.683 490 H ASN 77 H ASN 77 -3.066 -12.690 7.093 491 HA ASN 77 HA ASN 77 -3.403 -10.838 4.873 492 HB2 ASN 77 1HB ASN 77 -4.496 -10.657 7.689 493 HB3 ASN 77 2HB ASN 77 -5.000 -9.694 6.301 494 HD21 ASN 77 1HD2 ASN 77 -7.118 -10.350 6.391 495 HD22 ASN 77 2HD2 ASN 77 -7.623 -11.952 5.987 496 H TYR 78 H TYR 78 -1.490 -9.784 4.567 497 HA TYR 78 HA TYR 78 -0.030 -8.672 6.802 498 HB2 TYR 78 1HB TYR 78 0.397 -8.655 3.819 499 HB3 TYR 78 2HB TYR 78 1.407 -7.713 4.909 500 HD1 TYR 78 2HD TYR 78 0.269 -11.182 4.202 501 HD2 TYR 78 1HD TYR 78 3.233 -8.706 5.987 502 HE1 TYR 78 2HE TYR 78 1.675 -13.160 4.596 503 HE2 TYR 78 1HE TYR 78 4.649 -10.677 6.384 504 HH TYR 78 HH TYR 78 3.581 -13.750 6.322 505 H GLU 79 H GLU 79 -0.692 -6.859 7.735 506 HA GLU 79 HA GLU 79 -2.308 -4.940 6.285 507 HB2 GLU 79 1HB GLU 79 -2.497 -5.738 8.799 508 HB3 GLU 79 2HB GLU 79 -1.331 -4.448 9.063 509 HG2 GLU 79 1HG GLU 79 -3.014 -3.004 7.715 510 HG3 GLU 79 2HG GLU 79 -4.159 -4.278 8.130 511 H VAL 80 H VAL 80 -1.203 -3.671 4.922 512 HA VAL 80 HA VAL 80 1.452 -2.714 5.578 513 HB VAL 80 HB VAL 80 -0.248 -2.000 3.187 514 HG11 VAL 80 1HG1 VAL 80 2.079 -1.640 2.195 515 HG12 VAL 80 2HG1 VAL 80 1.490 -0.436 3.342 516 HG13 VAL 80 3HG1 VAL 80 2.657 -1.652 3.860 517 HG21 VAL 80 3HG2 VAL 80 0.439 -3.867 2.082 518 HG22 VAL 80 1HG2 VAL 80 1.952 -3.976 2.981 519 HG23 VAL 80 2HG2 VAL 80 0.446 -4.516 3.722 520 H SER 81 H SER 81 1.766 -0.966 6.772 521 HA SER 81 HA SER 81 -0.367 0.983 7.103 522 HB2 SER 81 1HB SER 81 1.564 1.960 8.676 523 HB3 SER 81 2HB SER 81 0.517 0.636 9.189 524 HG SER 81 HG SER 81 2.130 -0.754 8.963 525 H ILE 82 H ILE 82 -0.480 2.788 5.958 526 HA ILE 82 HA ILE 82 1.990 3.843 4.745 527 HB ILE 82 HB ILE 82 -0.805 3.915 3.603 528 HG12 ILE 82 1HG1 ILE 82 1.705 2.548 2.606 529 HG13 ILE 82 2HG1 ILE 82 0.359 1.738 3.398 530 HG21 ILE 82 1HG2 ILE 82 0.006 5.189 1.806 531 HG22 ILE 82 2HG2 ILE 82 0.660 5.966 3.247 532 HG23 ILE 82 3HG2 ILE 82 1.688 4.922 2.265 533 HD11 ILE 82 3HD1 ILE 82 -0.893 1.739 1.543 534 HD12 ILE 82 1HD1 ILE 82 -0.369 3.351 1.061 535 HD13 ILE 82 2HD1 ILE 82 0.656 1.955 0.729 536 H LYS 83 H LYS 83 2.525 5.849 5.297 537 HA LYS 83 HA LYS 83 0.427 7.646 6.312 538 HB2 LYS 83 1HB LYS 83 3.027 6.883 7.562 539 HB3 LYS 83 2HB LYS 83 2.453 8.531 7.773 540 HG2 LYS 83 1HG LYS 83 0.224 7.276 8.451 541 HG3 LYS 83 2HG LYS 83 1.368 5.989 8.840 542 HD2 LYS 83 1HD LYS 83 1.960 8.746 9.791 543 HD3 LYS 83 2HD LYS 83 0.698 7.827 10.617 544 HE2 LYS 83 1HE LYS 83 2.210 6.113 11.217 545 HE3 LYS 83 2HE LYS 83 3.444 6.709 10.108 546 HZ1 LYS 83 3HZ LYS 83 3.787 7.224 12.532 547 HZ2 LYS 83 1HZ LYS 83 2.482 8.294 12.416 548 HZ3 LYS 83 2HZ LYS 83 3.869 8.550 11.484 549 H PHE 84 H PHE 84 0.298 9.419 5.121 550 HA PHE 84 HA PHE 84 2.590 10.213 3.485 551 HB2 PHE 84 1HB PHE 84 0.321 9.900 2.449 552 HB3 PHE 84 2HB PHE 84 -0.233 11.286 3.384 553 HD1 PHE 84 2HD PHE 84 2.642 10.436 1.158 554 HD2 PHE 84 1HD PHE 84 -0.339 13.268 2.253 555 HE1 PHE 84 2HE PHE 84 3.426 11.943 -0.622 556 HE2 PHE 84 1HE PHE 84 0.439 14.780 0.475 557 HZ PHE 84 HZ PHE 84 2.324 14.119 -0.965 558 H ASN 85 H ASN 85 3.772 11.968 3.902 559 HA ASN 85 HA ASN 85 4.636 13.684 5.149 560 HB2 ASN 85 1HB ASN 85 3.253 15.698 5.124 561 HB3 ASN 85 2HB ASN 85 3.130 14.853 3.584 562 HD21 ASN 85 1HD2 ASN 85 1.160 15.014 2.818 563 HD22 ASN 85 2HD2 ASN 85 -0.303 14.877 3.726 564 H ASP 86 H ASP 86 3.624 11.536 6.742 565 HA ASP 86 HA ASP 86 3.387 11.085 8.967 566 HB2 ASP 86 1HB ASP 86 4.711 13.349 9.103 567 HB3 ASP 86 2HB ASP 86 3.164 13.995 9.640 568 H GLU 87 H GLU 87 1.170 11.064 7.322 569 HA GLU 87 HA GLU 87 -0.932 11.640 9.258 570 HB2 GLU 87 1HB GLU 87 -0.697 12.884 6.559 571 HB3 GLU 87 2HB GLU 87 -2.297 12.428 7.123 572 HG2 GLU 87 1HG GLU 87 -1.985 13.805 9.119 573 HG3 GLU 87 2HG GLU 87 -0.387 14.271 8.540 574 H HIS 88 H HIS 88 -2.560 10.167 9.250 575 HA HIS 88 HA HIS 88 -2.171 7.802 7.625 576 HB2 HIS 88 1HB HIS 88 -3.668 8.491 10.080 577 HB3 HIS 88 2HB HIS 88 -4.402 7.255 9.062 578 HD2 HIS 88 2HD HIS 88 -1.230 7.756 11.289 579 HE1 HIS 88 1HE HIS 88 -1.476 3.671 10.169 580 HE2 HIS 88 2HE HIS 88 -0.338 5.356 11.655 581 H ILE 89 H ILE 89 -2.860 8.062 5.573 582 HA ILE 89 HA ILE 89 -4.989 9.640 4.706 583 HB ILE 89 HB ILE 89 -4.978 8.133 2.664 584 HG12 ILE 89 1HG1 ILE 89 -2.632 6.892 4.117 585 HG13 ILE 89 2HG1 ILE 89 -4.181 6.103 3.845 586 HG21 ILE 89 1HG2 ILE 89 -2.682 9.697 3.713 587 HG22 ILE 89 2HG2 ILE 89 -2.453 8.783 2.223 588 HG23 ILE 89 3HG2 ILE 89 -3.721 10.005 2.321 589 HD11 ILE 89 3HD1 ILE 89 -3.562 5.448 1.827 590 HD12 ILE 89 1HD1 ILE 89 -3.087 7.084 1.373 591 HD13 ILE 89 2HD1 ILE 89 -1.942 6.031 2.205 592 HA PRO 90 HA PRO 90 -8.661 7.417 5.628 593 HB2 PRO 90 1HB PRO 90 -10.189 7.977 3.455 594 HB3 PRO 90 2HB PRO 90 -9.819 9.172 4.702 595 HG2 PRO 90 1HG PRO 90 -8.544 8.774 2.024 596 HG3 PRO 90 2HG PRO 90 -9.015 10.284 2.824 597 HD2 PRO 90 1HD PRO 90 -6.459 9.390 2.789 598 HD3 PRO 90 2HD PRO 90 -7.127 10.319 4.146 599 H GLU 91 H GLU 91 -6.516 6.348 3.411 600 HA GLU 91 HA GLU 91 -8.215 4.078 2.604 601 HB2 GLU 91 1HB GLU 91 -5.868 5.357 1.206 602 HB3 GLU 91 2HB GLU 91 -6.504 3.782 0.751 603 HG2 GLU 91 1HG GLU 91 -8.159 6.290 0.808 604 HG3 GLU 91 2HG GLU 91 -7.316 5.704 -0.624 605 H SER 92 H SER 92 -5.609 5.044 4.499 606 HA SER 92 HA SER 92 -4.538 2.303 4.607 607 HB2 SER 92 1HB SER 92 -2.438 3.133 5.037 608 HB3 SER 92 2HB SER 92 -3.081 4.472 4.085 609 HG SER 92 HG SER 92 -2.130 4.596 6.508 610 HA PRO 93 HA PRO 93 -2.799 1.555 6.110 611 HB2 PRO 93 1HB PRO 93 -3.118 -0.816 7.393 612 HB3 PRO 93 2HB PRO 93 -2.295 0.568 8.122 613 HG2 PRO 93 1HG PRO 93 -5.107 -0.383 8.509 614 HG3 PRO 93 2HG PRO 93 -3.944 0.189 9.718 615 HD2 PRO 93 1HD PRO 93 -5.927 1.756 8.750 616 HD3 PRO 93 2HD PRO 93 -4.351 2.407 9.245 617 H TYR 94 H TYR 94 -2.694 -0.775 5.129 618 HA TYR 94 HA TYR 94 -5.211 -1.224 3.662 619 HB2 TYR 94 1HB TYR 94 -2.351 -1.624 2.768 620 HB3 TYR 94 2HB TYR 94 -3.755 -2.140 1.841 621 HD1 TYR 94 2HD TYR 94 -2.637 0.972 3.601 622 HD2 TYR 94 1HD TYR 94 -4.322 -0.756 0.097 623 HE1 TYR 94 2HE TYR 94 -2.769 3.202 2.572 624 HE2 TYR 94 1HE TYR 94 -4.458 1.470 -0.942 625 HH TYR 94 HH TYR 94 -4.578 4.074 0.295 626 H LEU 95 H LEU 95 -5.821 -3.365 3.180 627 HA LEU 95 HA LEU 95 -4.511 -5.409 4.852 628 HB2 LEU 95 1HB LEU 95 -6.761 -4.676 5.642 629 HB3 LEU 95 2HB LEU 95 -7.434 -5.276 4.127 630 HG LEU 95 HG LEU 95 -6.963 -7.528 4.707 631 HD11 LEU 95 1HD1 LEU 95 -4.828 -7.511 5.635 632 HD12 LEU 95 2HD1 LEU 95 -5.865 -7.979 6.983 633 HD13 LEU 95 3HD1 LEU 95 -5.266 -6.325 6.865 634 HD21 LEU 95 3HD2 LEU 95 -8.963 -6.804 5.737 635 HD22 LEU 95 1HD2 LEU 95 -8.088 -5.955 7.011 636 HD23 LEU 95 2HD2 LEU 95 -8.086 -7.718 6.965 637 H VAL 96 H VAL 96 -3.332 -6.577 3.454 638 HA VAL 96 HA VAL 96 -4.615 -7.466 0.956 639 HB VAL 96 HB VAL 96 -1.664 -7.639 1.483 640 HG11 VAL 96 1HG1 VAL 96 -1.481 -8.199 -0.688 641 HG12 VAL 96 2HG1 VAL 96 -3.187 -8.627 -0.529 642 HG13 VAL 96 3HG1 VAL 96 -2.728 -7.059 -1.194 643 HG21 VAL 96 3HG2 VAL 96 -3.216 -5.230 1.208 644 HG22 VAL 96 1HG2 VAL 96 -1.488 -5.422 1.506 645 HG23 VAL 96 2HG2 VAL 96 -2.103 -5.410 -0.147 646 HA PRO 97 HA PRO 97 -4.688 -11.355 3.260 647 HB2 PRO 97 1HB PRO 97 -6.464 -12.554 1.593 648 HB3 PRO 97 2HB PRO 97 -6.951 -11.430 2.867 649 HG2 PRO 97 1HG PRO 97 -6.591 -10.931 -0.061 650 HG3 PRO 97 2HG PRO 97 -7.883 -10.374 1.018 651 HD2 PRO 97 1HD PRO 97 -5.820 -8.786 0.274 652 HD3 PRO 97 2HD PRO 97 -6.607 -8.649 1.860 653 H VAL 98 H VAL 98 -2.551 -11.950 2.729 654 HA VAL 98 HA VAL 98 -1.946 -12.961 0.088 655 HB VAL 98 HB VAL 98 -0.264 -13.060 2.595 656 HG11 VAL 98 1HG1 VAL 98 0.703 -14.619 1.194 657 HG12 VAL 98 2HG1 VAL 98 0.244 -13.746 -0.268 658 HG13 VAL 98 3HG1 VAL 98 1.561 -13.147 0.741 659 HG21 VAL 98 3HG2 VAL 98 0.939 -11.156 1.314 660 HG22 VAL 98 1HG2 VAL 98 -0.597 -10.985 0.465 661 HG23 VAL 98 2HG2 VAL 98 -0.531 -10.787 2.216 662 H ILE 99 H ILE 99 -1.572 -15.082 -0.480 663 HA ILE 99 HA ILE 99 -2.088 -17.147 1.539 664 HB ILE 99 HB ILE 99 -3.504 -18.398 -0.036 665 HG12 ILE 99 1HG1 ILE 99 -3.808 -15.931 -1.709 666 HG13 ILE 99 2HG1 ILE 99 -2.471 -17.030 -2.029 667 HG21 ILE 99 1HG2 ILE 99 -4.402 -16.767 1.683 668 HG22 ILE 99 2HG2 ILE 99 -4.655 -15.647 0.345 669 HG23 ILE 99 3HG2 ILE 99 -5.494 -17.198 0.369 670 HD11 ILE 99 3HD1 ILE 99 -5.372 -17.826 -1.989 671 HD12 ILE 99 1HD1 ILE 99 -4.443 -17.449 -3.440 672 HD13 ILE 99 2HD1 ILE 99 -4.001 -18.837 -2.446 673 H ALA 100 H ALA 100 -1.272 -19.243 0.993 674 HA ALA 100 HA ALA 100 1.189 -19.111 -0.494 675 HB1 ALA 100 3HB ALA 100 0.874 -20.361 1.670 676 HB2 ALA 100 1HB ALA 100 -0.035 -21.561 0.751 677 HB3 ALA 100 2HB ALA 100 1.662 -21.263 0.375 678 HA PRO 101 HA PRO 101 -0.886 -20.382 -4.265 679 HB2 PRO 101 1HB PRO 101 1.303 -20.096 -5.846 680 HB3 PRO 101 2HB PRO 101 0.311 -18.729 -5.323 681 HG2 PRO 101 1HG PRO 101 2.909 -19.719 -4.213 682 HG3 PRO 101 2HG PRO 101 2.386 -18.053 -4.523 683 HD2 PRO 101 1HD PRO 101 2.339 -19.158 -2.050 684 HD3 PRO 101 2HD PRO 101 1.157 -17.943 -2.577 685 H SER 102 H SER 102 -1.230 -22.440 -4.786 686 HA SER 102 HA SER 102 0.748 -24.462 -4.144 687 HB2 SER 102 1HB SER 102 -2.027 -24.763 -5.317 688 HB3 SER 102 2HB SER 102 -1.014 -26.071 -4.705 689 HG SER 102 HG SER 102 -2.736 -24.781 -3.326 690 H ASP 103 H ASP 103 2.283 -23.664 -5.769 691 HA ASP 103 HA ASP 103 1.601 -24.545 -8.496 692 HB2 ASP 103 1HB ASP 103 3.155 -22.979 -9.356 693 HB3 ASP 103 2HB ASP 103 2.267 -22.115 -8.104 694 H ASP 104 H ASP 104 3.031 -25.856 -9.634 695 HA ASP 104 HA ASP 104 4.915 -27.337 -7.939 696 HB2 ASP 104 1HB ASP 104 4.761 -29.104 -9.673 697 HB3 ASP 104 2HB ASP 104 3.198 -28.714 -8.963 698 H ALA 105 H ALA 105 4.636 -25.812 -11.126 699 HA ALA 105 HA ALA 105 7.476 -26.160 -11.630 700 HB1 ALA 105 3HB ALA 105 6.565 -24.563 -13.647 701 HB2 ALA 105 1HB ALA 105 6.588 -26.327 -13.679 702 HB3 ALA 105 2HB ALA 105 5.116 -25.471 -13.216 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.074 23.119 10.059 2 HA2 GLY 1 1HA GLY 1 -13.018 24.143 10.776 3 HA3 GLY 1 2HA GLY 1 -12.713 23.503 12.384 4 H SER 2 H SER 2 -12.029 24.858 13.927 5 HA SER 2 HA SER 2 -12.035 27.637 13.494 6 HB2 SER 2 1HB SER 2 -11.357 25.847 15.782 7 HB3 SER 2 2HB SER 2 -10.827 27.528 15.865 8 HG SER 2 HG SER 2 -13.433 26.482 15.771 9 H SER 3 H SER 3 -9.294 25.572 14.477 10 HA SER 3 HA SER 3 -7.497 27.518 13.188 11 HB2 SER 3 1HB SER 3 -7.284 25.939 15.703 12 HB3 SER 3 2HB SER 3 -5.802 26.200 14.783 13 HG SER 3 HG SER 3 -5.944 28.330 15.116 14 H GLY 4 H GLY 4 -7.592 26.551 11.139 15 HA2 GLY 4 1HA GLY 4 -5.761 24.354 10.796 16 HA3 GLY 4 2HA GLY 4 -7.423 23.935 10.407 17 H SER 5 H SER 5 -4.554 25.334 9.285 18 HA SER 5 HA SER 5 -5.853 26.738 7.082 19 HB2 SER 5 1HB SER 5 -2.904 26.463 7.706 20 HB3 SER 5 2HB SER 5 -3.625 27.551 6.520 21 HG SER 5 HG SER 5 -4.080 27.614 9.323 22 H SER 6 H SER 6 -5.659 26.165 4.937 23 HA SER 6 HA SER 6 -4.394 23.568 4.373 24 HB2 SER 6 1HB SER 6 -7.180 24.481 3.782 25 HB3 SER 6 2HB SER 6 -6.381 23.404 2.636 26 HG SER 6 HG SER 6 -6.122 21.899 4.278 27 H GLY 7 H GLY 7 -3.649 23.267 2.218 28 HA2 GLY 7 1HA GLY 7 -3.237 25.816 0.779 29 HA3 GLY 7 2HA GLY 7 -2.046 24.524 0.842 30 H GLU 8 H GLU 8 -2.549 22.514 -0.257 31 HA GLU 8 HA GLU 8 -4.382 22.940 -2.526 32 HB2 GLU 8 1HB GLU 8 -1.687 21.630 -2.365 33 HB3 GLU 8 2HB GLU 8 -2.817 21.183 -3.634 34 HG2 GLU 8 1HG GLU 8 -1.235 22.867 -4.392 35 HG3 GLU 8 2HG GLU 8 -2.889 23.476 -4.414 36 H GLY 9 H GLY 9 -3.059 20.552 -0.273 37 HA2 GLY 9 1HA GLY 9 -5.530 19.189 -0.030 38 HA3 GLY 9 2HA GLY 9 -4.467 18.304 -1.113 39 H GLY 10 H GLY 10 -3.256 16.795 -0.191 40 HA2 GLY 10 1HA GLY 10 -1.484 16.824 1.769 41 HA3 GLY 10 2HA GLY 10 -2.964 16.813 2.716 42 H ALA 11 H ALA 11 -3.454 14.866 3.447 43 HA ALA 11 HA ALA 11 -2.452 12.503 2.077 44 HB1 ALA 11 3HB ALA 11 -2.164 11.874 4.192 45 HB2 ALA 11 1HB ALA 11 -3.187 13.180 4.792 46 HB3 ALA 11 2HB ALA 11 -3.912 11.656 4.278 47 H HIS 12 H HIS 12 -5.595 13.513 3.441 48 HA HIS 12 HA HIS 12 -7.252 11.596 2.526 49 HB2 HIS 12 1HB HIS 12 -9.040 13.231 2.457 50 HB3 HIS 12 2HB HIS 12 -7.966 13.605 3.802 51 HD1 HIS 12 1HD HIS 12 -5.941 15.418 2.876 52 HD2 HIS 12 2HD HIS 12 -9.728 15.489 1.167 53 HE1 HIS 12 1HE HIS 12 -6.158 17.688 1.816 54 H LYS 13 H LYS 13 -5.574 13.931 0.581 55 HA LYS 13 HA LYS 13 -7.079 13.174 -1.810 56 HB2 LYS 13 1HB LYS 13 -4.936 15.265 -1.383 57 HB3 LYS 13 2HB LYS 13 -5.747 14.964 -2.914 58 HG2 LYS 13 1HG LYS 13 -7.380 15.583 -0.499 59 HG3 LYS 13 2HG LYS 13 -6.542 16.888 -1.342 60 HD2 LYS 13 1HD LYS 13 -8.523 16.912 -2.477 61 HD3 LYS 13 2HD LYS 13 -7.642 15.739 -3.458 62 HE2 LYS 13 1HE LYS 13 -8.808 13.940 -2.582 63 HE3 LYS 13 2HE LYS 13 -9.274 14.821 -1.128 64 HZ1 LYS 13 3HZ LYS 13 -11.210 14.704 -2.385 65 HZ2 LYS 13 1HZ LYS 13 -10.415 15.024 -3.843 66 HZ3 LYS 13 2HZ LYS 13 -10.630 16.260 -2.709 67 H VAL 14 H VAL 14 -5.478 11.170 -0.616 68 HA VAL 14 HA VAL 14 -3.566 10.714 -2.798 69 HB VAL 14 HB VAL 14 -3.022 10.319 0.143 70 HG11 VAL 14 1HG1 VAL 14 -1.763 8.559 -0.352 71 HG12 VAL 14 2HG1 VAL 14 -2.128 8.734 -2.069 72 HG13 VAL 14 3HG1 VAL 14 -0.761 9.598 -1.364 73 HG21 VAL 14 3HG2 VAL 14 -2.424 12.499 -0.420 74 HG22 VAL 14 1HG2 VAL 14 -0.913 11.606 -0.595 75 HG23 VAL 14 2HG2 VAL 14 -1.856 12.033 -2.023 76 H ARG 15 H ARG 15 -4.419 9.052 -3.870 77 HA ARG 15 HA ARG 15 -5.566 6.822 -2.327 78 HB2 ARG 15 1HB ARG 15 -6.114 7.833 -5.110 79 HB3 ARG 15 2HB ARG 15 -6.611 6.228 -4.592 80 HG2 ARG 15 1HG ARG 15 -8.492 7.598 -4.304 81 HG3 ARG 15 2HG ARG 15 -7.825 7.371 -2.686 82 HD2 ARG 15 1HD ARG 15 -6.933 9.538 -2.629 83 HD3 ARG 15 2HD ARG 15 -7.084 9.738 -4.374 84 HE ARG 15 HE ARG 15 -9.299 10.320 -4.097 85 HH11 ARG 15 1HH1 ARG 15 -7.992 9.120 -1.102 86 HH12 ARG 15 2HH1 ARG 15 -9.347 9.634 -0.153 87 HH21 ARG 15 1HH2 ARG 15 -11.090 11.001 -2.859 88 HH22 ARG 15 2HH2 ARG 15 -11.109 10.703 -1.155 89 H ALA 16 H ALA 16 -4.839 4.762 -2.629 90 HA ALA 16 HA ALA 16 -2.540 4.432 -4.445 91 HB1 ALA 16 3HB ALA 16 -2.495 2.476 -2.370 92 HB2 ALA 16 1HB ALA 16 -1.316 3.737 -2.733 93 HB3 ALA 16 2HB ALA 16 -2.664 4.076 -1.647 94 H GLY 17 H GLY 17 -2.624 2.819 -5.895 95 HA2 GLY 17 1HA GLY 17 -4.479 0.595 -5.476 96 HA3 GLY 17 2HA GLY 17 -4.726 1.595 -6.900 97 H GLY 18 H GLY 18 -4.405 -0.568 -7.937 98 HA2 GLY 18 1HA GLY 18 -2.785 -1.222 -9.640 99 HA3 GLY 18 2HA GLY 18 -1.524 -0.970 -8.443 100 HA PRO 19 HA PRO 19 -2.905 -5.487 -8.640 101 HB2 PRO 19 1HB PRO 19 -0.590 -6.503 -9.627 102 HB3 PRO 19 2HB PRO 19 -1.916 -5.955 -10.660 103 HG2 PRO 19 1HG PRO 19 0.607 -4.533 -9.902 104 HG3 PRO 19 2HG PRO 19 -0.188 -4.634 -11.484 105 HD2 PRO 19 1HD PRO 19 -0.419 -2.470 -9.872 106 HD3 PRO 19 2HD PRO 19 -1.723 -2.996 -10.957 107 H GLY 20 H GLY 20 -2.857 -5.876 -6.481 108 HA2 GLY 20 1HA GLY 20 -1.053 -7.248 -5.128 109 HA3 GLY 20 2HA GLY 20 -0.328 -5.650 -5.033 110 H LEU 21 H LEU 21 -2.217 -3.938 -4.476 111 HA LEU 21 HA LEU 21 -2.804 -4.305 -1.786 112 HB2 LEU 21 1HB LEU 21 -3.869 -2.462 -3.887 113 HB3 LEU 21 2HB LEU 21 -4.566 -2.459 -2.268 114 HG LEU 21 HG LEU 21 -1.670 -1.905 -2.915 115 HD11 LEU 21 1HD1 LEU 21 -2.527 0.054 -3.613 116 HD12 LEU 21 2HD1 LEU 21 -2.647 0.388 -1.886 117 HD13 LEU 21 3HD1 LEU 21 -4.058 -0.191 -2.772 118 HD21 LEU 21 3HD2 LEU 21 -2.519 -0.941 -0.377 119 HD22 LEU 21 1HD2 LEU 21 -1.281 -2.141 -0.745 120 HD23 LEU 21 2HD2 LEU 21 -2.952 -2.647 -0.500 121 H GLU 22 H GLU 22 -4.615 -5.204 -4.628 122 HA GLU 22 HA GLU 22 -7.101 -5.668 -3.335 123 HB2 GLU 22 1HB GLU 22 -7.653 -6.971 -5.379 124 HB3 GLU 22 2HB GLU 22 -7.041 -5.360 -5.725 125 HG2 GLU 22 1HG GLU 22 -4.917 -6.218 -6.364 126 HG3 GLU 22 2HG GLU 22 -5.331 -7.831 -5.786 127 H ARG 23 H ARG 23 -4.289 -7.679 -4.016 128 HA ARG 23 HA ARG 23 -4.855 -9.453 -1.885 129 HB2 ARG 23 1HB ARG 23 -6.474 -10.092 -3.867 130 HB3 ARG 23 2HB ARG 23 -5.034 -10.874 -4.507 131 HG2 ARG 23 1HG ARG 23 -4.939 -11.888 -2.067 132 HG3 ARG 23 2HG ARG 23 -6.673 -11.560 -2.135 133 HD2 ARG 23 1HD ARG 23 -5.385 -12.936 -4.440 134 HD3 ARG 23 2HD ARG 23 -5.676 -13.854 -2.963 135 HE ARG 23 HE ARG 23 -7.615 -13.052 -4.880 136 HH11 ARG 23 1HH1 ARG 23 -7.132 -13.584 -1.474 137 HH12 ARG 23 2HH1 ARG 23 -8.798 -13.940 -1.160 138 HH21 ARG 23 1HH2 ARG 23 -9.813 -13.518 -4.480 139 HH22 ARG 23 2HH2 ARG 23 -10.322 -13.902 -2.870 140 H GLY 24 H GLY 24 -3.139 -10.857 -1.449 141 HA2 GLY 24 1HA GLY 24 -0.802 -10.532 -3.229 142 HA3 GLY 24 2HA GLY 24 -0.672 -10.507 -1.476 143 H GLU 25 H GLU 25 0.961 -12.216 -2.555 144 HA GLU 25 HA GLU 25 -0.203 -14.805 -1.892 145 HB2 GLU 25 1HB GLU 25 0.880 -14.045 -4.562 146 HB3 GLU 25 2HB GLU 25 1.232 -15.658 -3.962 147 HG2 GLU 25 1HG GLU 25 -0.946 -16.333 -4.075 148 HG3 GLU 25 2HG GLU 25 -1.578 -14.699 -3.878 149 H ALA 26 H ALA 26 1.141 -16.012 -0.700 150 HA ALA 26 HA ALA 26 3.548 -14.988 0.297 151 HB1 ALA 26 3HB ALA 26 3.316 -17.899 0.431 152 HB2 ALA 26 1HB ALA 26 3.447 -16.708 1.725 153 HB3 ALA 26 2HB ALA 26 1.880 -17.038 0.986 154 H GLY 27 H GLY 27 5.604 -15.080 -0.377 155 HA2 GLY 27 1HA GLY 27 7.490 -15.894 -1.477 156 HA3 GLY 27 2HA GLY 27 6.494 -17.149 -2.200 157 H VAL 28 H VAL 28 4.725 -14.554 -2.807 158 HA VAL 28 HA VAL 28 6.045 -14.072 -5.393 159 HB VAL 28 HB VAL 28 3.141 -13.925 -4.597 160 HG11 VAL 28 1HG1 VAL 28 2.876 -12.297 -6.092 161 HG12 VAL 28 2HG1 VAL 28 4.547 -12.439 -6.644 162 HG13 VAL 28 3HG1 VAL 28 3.298 -13.477 -7.332 163 HG21 VAL 28 3HG2 VAL 28 3.978 -15.389 -6.997 164 HG22 VAL 28 1HG2 VAL 28 4.608 -16.036 -5.481 165 HG23 VAL 28 2HG2 VAL 28 2.868 -15.858 -5.709 166 HA PRO 29 HA PRO 29 6.814 -9.955 -3.892 167 HB2 PRO 29 1HB PRO 29 7.878 -9.002 -6.202 168 HB3 PRO 29 2HB PRO 29 8.770 -10.053 -5.095 169 HG2 PRO 29 1HG PRO 29 7.332 -10.752 -7.625 170 HG3 PRO 29 2HG PRO 29 8.914 -11.306 -7.049 171 HD2 PRO 29 1HD PRO 29 6.676 -12.812 -6.827 172 HD3 PRO 29 2HD PRO 29 7.992 -12.877 -5.637 173 H ALA 30 H ALA 30 4.978 -8.812 -3.607 174 HA ALA 30 HA ALA 30 3.263 -8.198 -5.882 175 HB1 ALA 30 3HB ALA 30 2.892 -8.467 -3.043 176 HB2 ALA 30 1HB ALA 30 2.254 -6.922 -3.608 177 HB3 ALA 30 2HB ALA 30 1.689 -8.428 -4.332 178 H GLU 31 H GLU 31 4.064 -6.586 -7.104 179 HA GLU 31 HA GLU 31 5.176 -4.217 -5.786 180 HB2 GLU 31 1HB GLU 31 5.144 -4.508 -8.753 181 HB3 GLU 31 2HB GLU 31 6.357 -3.776 -7.711 182 HG2 GLU 31 1HG GLU 31 7.026 -6.028 -6.961 183 HG3 GLU 31 2HG GLU 31 5.866 -6.720 -8.094 184 H PHE 32 H PHE 32 4.106 -2.349 -5.692 185 HA PHE 32 HA PHE 32 1.852 -1.901 -7.516 186 HB2 PHE 32 1HB PHE 32 0.511 -1.005 -5.637 187 HB3 PHE 32 2HB PHE 32 0.871 -2.717 -5.447 188 HD1 PHE 32 2HD PHE 32 2.748 -3.386 -3.895 189 HD2 PHE 32 1HD PHE 32 1.117 0.544 -3.998 190 HE1 PHE 32 2HE PHE 32 3.689 -2.940 -1.666 191 HE2 PHE 32 1HE PHE 32 2.056 0.996 -1.770 192 HZ PHE 32 HZ PHE 32 3.344 -0.747 -0.600 193 H SER 33 H SER 33 1.797 0.086 -8.367 194 HA SER 33 HA SER 33 3.835 1.989 -7.531 195 HB2 SER 33 1HB SER 33 1.919 2.138 -9.870 196 HB3 SER 33 2HB SER 33 3.328 3.165 -9.602 197 HG SER 33 HG SER 33 4.397 0.899 -9.525 198 H ILE 34 H ILE 34 3.416 4.120 -6.927 199 HA ILE 34 HA ILE 34 0.618 4.787 -6.321 200 HB ILE 34 HB ILE 34 2.948 5.126 -4.429 201 HG12 ILE 34 1HG1 ILE 34 0.399 3.535 -4.086 202 HG13 ILE 34 2HG1 ILE 34 1.928 2.835 -4.605 203 HG21 ILE 34 1HG2 ILE 34 0.070 5.931 -4.032 204 HG22 ILE 34 2HG2 ILE 34 1.402 6.160 -2.900 205 HG23 ILE 34 3HG2 ILE 34 1.380 7.045 -4.425 206 HD11 ILE 34 3HD1 ILE 34 2.787 2.861 -2.534 207 HD12 ILE 34 1HD1 ILE 34 2.040 4.406 -2.127 208 HD13 ILE 34 2HD1 ILE 34 1.091 2.921 -2.053 209 H TRP 35 H TRP 35 0.109 6.612 -7.315 210 HA TRP 35 HA TRP 35 2.189 8.678 -7.617 211 HB2 TRP 35 1HB TRP 35 1.004 9.378 -9.689 212 HB3 TRP 35 2HB TRP 35 1.660 7.747 -9.788 213 HD1 TRP 35 HD TRP 35 -0.236 5.722 -9.339 214 HE1 TRP 35 1HE TRP 35 -2.684 5.637 -10.130 215 HE3 TRP 35 3HE TRP 35 -0.970 10.700 -10.239 216 HZ2 TRP 35 2HZ TRP 35 -4.664 7.442 -11.019 217 HZ3 TRP 35 3HZ TRP 35 -3.170 11.439 -11.059 218 HH2 TRP 35 HH TRP 35 -4.977 9.841 -11.440 219 H THR 36 H THR 36 1.794 10.437 -6.465 220 HA THR 36 HA THR 36 -0.999 11.087 -5.791 221 HB THR 36 HB THR 36 0.035 12.454 -3.921 222 HG1 THR 36 1HG THR 36 2.315 10.820 -4.273 223 HG21 THR 36 3HG2 THR 36 0.128 9.469 -4.076 224 HG22 THR 36 1HG2 THR 36 -0.978 10.507 -3.179 225 HG23 THR 36 2HG2 THR 36 0.679 10.290 -2.616 226 H ARG 37 H ARG 37 -0.239 11.890 -8.259 227 HA ARG 37 HA ARG 37 1.015 14.389 -8.454 228 HB2 ARG 37 1HB ARG 37 -0.969 12.944 -10.193 229 HB3 ARG 37 2HB ARG 37 -0.403 14.557 -10.607 230 HG2 ARG 37 1HG ARG 37 1.961 13.469 -10.287 231 HG3 ARG 37 2HG ARG 37 1.072 11.974 -10.586 232 HD2 ARG 37 1HD ARG 37 0.346 12.733 -12.716 233 HD3 ARG 37 2HD ARG 37 0.905 14.374 -12.393 234 HE ARG 37 HE ARG 37 3.083 12.603 -12.244 235 HH11 ARG 37 1HH1 ARG 37 0.899 13.994 -14.570 236 HH12 ARG 37 2HH1 ARG 37 2.031 13.909 -15.879 237 HH21 ARG 37 1HH2 ARG 37 4.583 12.486 -13.959 238 HH22 ARG 37 2HH2 ARG 37 4.126 13.051 -15.530 239 H GLU 38 H GLU 38 -2.427 13.552 -8.159 240 HA GLU 38 HA GLU 38 -3.453 16.150 -8.289 241 HB2 GLU 38 1HB GLU 38 -4.423 13.552 -7.202 242 HB3 GLU 38 2HB GLU 38 -5.283 15.009 -6.727 243 HG2 GLU 38 1HG GLU 38 -6.445 14.271 -8.586 244 HG3 GLU 38 2HG GLU 38 -5.393 15.529 -9.232 245 H ALA 39 H ALA 39 -2.439 14.227 -5.484 246 HA ALA 39 HA ALA 39 -3.122 16.113 -3.512 247 HB1 ALA 39 3HB ALA 39 -1.705 13.599 -3.639 248 HB2 ALA 39 1HB ALA 39 -0.934 14.718 -2.514 249 HB3 ALA 39 2HB ALA 39 -2.637 14.302 -2.317 250 H GLY 40 H GLY 40 -0.047 15.509 -5.199 251 HA2 GLY 40 1HA GLY 40 0.923 17.901 -5.702 252 HA3 GLY 40 2HA GLY 40 1.098 17.899 -3.953 253 H ALA 41 H ALA 41 2.895 17.053 -3.100 254 HA ALA 41 HA ALA 41 4.329 14.875 -4.165 255 HB1 ALA 41 3HB ALA 41 4.896 17.378 -5.407 256 HB2 ALA 41 1HB ALA 41 6.310 16.859 -4.488 257 HB3 ALA 41 2HB ALA 41 5.616 15.798 -5.715 258 H GLY 42 H GLY 42 5.195 13.986 -2.415 259 HA2 GLY 42 1HA GLY 42 6.783 15.550 -0.578 260 HA3 GLY 42 2HA GLY 42 5.282 14.951 0.113 261 H GLY 43 H GLY 43 6.259 13.585 1.590 262 HA2 GLY 43 1HA GLY 43 7.931 11.430 0.479 263 HA3 GLY 43 2HA GLY 43 7.891 11.914 2.168 264 H LEU 44 H LEU 44 7.458 9.285 0.795 265 HA LEU 44 HA LEU 44 4.781 8.712 1.885 266 HB2 LEU 44 1HB LEU 44 6.232 7.602 -0.487 267 HB3 LEU 44 2HB LEU 44 4.974 6.664 0.315 268 HG LEU 44 HG LEU 44 4.499 9.425 -0.787 269 HD11 LEU 44 1HD1 LEU 44 5.091 7.148 -2.289 270 HD12 LEU 44 2HD1 LEU 44 4.356 8.645 -2.859 271 HD13 LEU 44 3HD1 LEU 44 3.335 7.303 -2.342 272 HD21 LEU 44 3HD2 LEU 44 2.976 8.339 0.967 273 HD22 LEU 44 1HD2 LEU 44 2.502 7.234 -0.325 274 HD23 LEU 44 2HD2 LEU 44 2.226 8.968 -0.501 275 H SER 45 H SER 45 4.496 6.768 3.039 276 HA SER 45 HA SER 45 6.983 5.449 3.903 277 HB2 SER 45 1HB SER 45 6.437 5.607 6.148 278 HB3 SER 45 2HB SER 45 5.799 7.137 5.546 279 HG SER 45 HG SER 45 4.449 4.846 6.393 280 H ILE 46 H ILE 46 6.857 3.254 4.356 281 HA ILE 46 HA ILE 46 4.289 1.911 3.983 282 HB ILE 46 HB ILE 46 6.748 1.232 2.367 283 HG12 ILE 46 1HG1 ILE 46 4.021 2.073 1.381 284 HG13 ILE 46 2HG1 ILE 46 5.337 3.213 1.635 285 HG21 ILE 46 1HG2 ILE 46 4.692 -0.259 1.360 286 HG22 ILE 46 2HG2 ILE 46 5.932 -0.849 2.466 287 HG23 ILE 46 3HG2 ILE 46 4.375 -0.309 3.094 288 HD11 ILE 46 3HD1 ILE 46 6.090 0.919 0.006 289 HD12 ILE 46 1HD1 ILE 46 4.796 1.895 -0.691 290 HD13 ILE 46 2HD1 ILE 46 6.337 2.644 -0.270 291 H ALA 47 H ALA 47 4.026 0.399 5.483 292 HA ALA 47 HA ALA 47 6.362 -1.050 6.498 293 HB1 ALA 47 3HB ALA 47 4.404 -0.347 8.570 294 HB2 ALA 47 1HB ALA 47 6.166 -0.388 8.635 295 HB3 ALA 47 2HB ALA 47 5.340 1.007 7.938 296 H VAL 48 H VAL 48 5.929 -3.098 6.004 297 HA VAL 48 HA VAL 48 3.178 -4.070 6.052 298 HB VAL 48 HB VAL 48 5.719 -5.412 5.120 299 HG11 VAL 48 1HG1 VAL 48 4.490 -7.266 5.540 300 HG12 VAL 48 2HG1 VAL 48 2.956 -6.395 5.487 301 HG13 VAL 48 3HG1 VAL 48 3.764 -6.851 3.987 302 HG21 VAL 48 3HG2 VAL 48 3.874 -5.071 3.025 303 HG22 VAL 48 1HG2 VAL 48 3.946 -3.532 3.883 304 HG23 VAL 48 2HG2 VAL 48 5.422 -4.256 3.245 305 H GLU 49 H GLU 49 2.495 -4.635 8.027 306 HA GLU 49 HA GLU 49 4.276 -6.310 9.673 307 HB2 GLU 49 1HB GLU 49 2.100 -4.405 10.555 308 HB3 GLU 49 2HB GLU 49 2.980 -5.482 11.630 309 HG2 GLU 49 1HG GLU 49 4.998 -4.318 11.318 310 HG3 GLU 49 2HG GLU 49 4.370 -3.447 9.921 311 H GLY 50 H GLY 50 3.662 -8.355 9.861 312 HA2 GLY 50 1HA GLY 50 0.807 -8.987 10.021 313 HA3 GLY 50 2HA GLY 50 1.741 -9.754 8.746 314 HA PRO 51 HA PRO 51 1.850 -12.589 12.377 315 HB2 PRO 51 1HB PRO 51 1.577 -14.848 10.897 316 HB3 PRO 51 2HB PRO 51 0.199 -13.888 11.449 317 HG2 PRO 51 1HG PRO 51 1.540 -13.912 8.773 318 HG3 PRO 51 2HG PRO 51 -0.192 -13.876 9.157 319 HD2 PRO 51 1HD PRO 51 1.188 -11.659 8.441 320 HD3 PRO 51 2HD PRO 51 -0.181 -11.609 9.570 321 H SER 52 H SER 52 3.698 -12.113 9.540 322 HA SER 52 HA SER 52 6.004 -13.368 10.808 323 HB2 SER 52 1HB SER 52 4.763 -14.925 9.078 324 HB3 SER 52 2HB SER 52 5.604 -13.924 7.894 325 HG SER 52 HG SER 52 7.007 -15.055 10.058 326 H LYS 53 H LYS 53 7.981 -12.990 9.191 327 HA LYS 53 HA LYS 53 8.143 -10.126 8.900 328 HB2 LYS 53 1HB LYS 53 9.978 -11.780 9.722 329 HB3 LYS 53 2HB LYS 53 10.278 -12.039 8.009 330 HG2 LYS 53 1HG LYS 53 11.810 -10.396 8.679 331 HG3 LYS 53 2HG LYS 53 10.538 -9.527 7.817 332 HD2 LYS 53 1HD LYS 53 10.828 -8.206 9.688 333 HD3 LYS 53 2HD LYS 53 9.498 -9.252 10.191 334 HE2 LYS 53 1HE LYS 53 11.242 -10.761 11.221 335 HE3 LYS 53 2HE LYS 53 12.410 -9.475 10.922 336 HZ1 LYS 53 3HZ LYS 53 11.422 -9.478 13.190 337 HZ2 LYS 53 1HZ LYS 53 9.925 -9.099 12.499 338 HZ3 LYS 53 2HZ LYS 53 11.221 -8.022 12.354 339 H ALA 54 H ALA 54 8.226 -8.955 7.046 340 HA ALA 54 HA ALA 54 8.026 -10.426 4.501 341 HB1 ALA 54 3HB ALA 54 6.395 -8.053 5.387 342 HB2 ALA 54 1HB ALA 54 6.467 -8.632 3.723 343 HB3 ALA 54 2HB ALA 54 5.817 -9.672 4.991 344 H GLU 55 H GLU 55 9.272 -9.700 2.865 345 HA GLU 55 HA GLU 55 11.258 -7.710 3.453 346 HB2 GLU 55 1HB GLU 55 11.406 -9.910 1.997 347 HB3 GLU 55 2HB GLU 55 10.890 -8.831 0.709 348 HG2 GLU 55 1HG GLU 55 12.808 -7.436 1.021 349 HG3 GLU 55 2HG GLU 55 13.284 -8.336 2.461 350 H ILE 56 H ILE 56 11.657 -5.800 2.244 351 HA ILE 56 HA ILE 56 9.487 -4.814 0.555 352 HB ILE 56 HB ILE 56 10.486 -3.310 2.976 353 HG12 ILE 56 1HG1 ILE 56 7.659 -4.181 2.403 354 HG13 ILE 56 2HG1 ILE 56 8.787 -5.214 3.273 355 HG21 ILE 56 1HG2 ILE 56 9.653 -2.250 0.581 356 HG22 ILE 56 2HG2 ILE 56 8.183 -2.236 1.554 357 HG23 ILE 56 3HG2 ILE 56 9.634 -1.422 2.138 358 HD11 ILE 56 3HD1 ILE 56 7.914 -2.457 4.103 359 HD12 ILE 56 1HD1 ILE 56 7.364 -3.980 4.799 360 HD13 ILE 56 2HD1 ILE 56 9.048 -3.487 4.977 361 H THR 57 H THR 57 10.188 -3.593 -1.100 362 HA THR 57 HA THR 57 13.012 -2.747 -1.064 363 HB THR 57 HB THR 57 11.375 -3.563 -3.473 364 HG1 THR 57 1HG THR 57 13.188 -4.920 -1.809 365 HG21 THR 57 3HG2 THR 57 12.898 -2.387 -4.609 366 HG22 THR 57 1HG2 THR 57 14.070 -3.611 -4.120 367 HG23 THR 57 2HG2 THR 57 13.886 -2.136 -3.170 368 H PHE 58 H PHE 58 12.982 -0.620 -0.640 369 HA PHE 58 HA PHE 58 11.218 1.070 -2.286 370 HB2 PHE 58 1HB PHE 58 10.642 0.976 0.184 371 HB3 PHE 58 2HB PHE 58 12.181 1.776 0.487 372 HD1 PHE 58 1HD PHE 58 9.135 2.184 -1.627 373 HD2 PHE 58 2HD PHE 58 12.187 4.063 0.667 374 HE1 PHE 58 1HE PHE 58 8.065 4.368 -1.999 375 HE2 PHE 58 2HE PHE 58 11.121 6.250 0.301 376 HZ PHE 58 HZ PHE 58 9.057 6.404 -1.033 377 H ASP 59 H ASP 59 12.537 1.820 -3.836 378 HA ASP 59 HA ASP 59 14.975 3.220 -2.970 379 HB2 ASP 59 1HB ASP 59 14.640 1.238 -5.197 380 HB3 ASP 59 2HB ASP 59 15.854 2.509 -5.324 381 H ASP 60 H ASP 60 14.722 5.311 -3.354 382 HA ASP 60 HA ASP 60 13.067 6.151 -5.633 383 HB2 ASP 60 1HB ASP 60 12.582 6.923 -3.221 384 HB3 ASP 60 2HB ASP 60 13.998 7.954 -3.410 385 H HIS 61 H HIS 61 14.415 6.227 -7.356 386 HA HIS 61 HA HIS 61 16.861 7.849 -7.083 387 HB2 HIS 61 1HB HIS 61 17.122 5.403 -7.716 388 HB3 HIS 61 2HB HIS 61 16.335 5.803 -9.238 389 HD1 HIS 61 1HD HIS 61 19.360 6.968 -7.242 390 HD2 HIS 61 2HD HIS 61 18.076 6.540 -11.171 391 HE1 HIS 61 1HE HIS 61 21.336 7.591 -8.667 392 H LYS 62 H LYS 62 17.478 9.099 -9.006 393 HA LYS 62 HA LYS 62 15.340 10.705 -9.920 394 HB2 LYS 62 1HB LYS 62 18.207 10.492 -10.850 395 HB3 LYS 62 2HB LYS 62 17.081 11.718 -11.418 396 HG2 LYS 62 1HG LYS 62 17.520 11.414 -8.489 397 HG3 LYS 62 2HG LYS 62 18.750 12.220 -9.466 398 HD2 LYS 62 1HD LYS 62 17.374 13.966 -8.762 399 HD3 LYS 62 2HD LYS 62 16.800 13.618 -10.394 400 HE2 LYS 62 1HE LYS 62 14.835 12.704 -9.653 401 HE3 LYS 62 2HE LYS 62 15.528 12.190 -8.116 402 HZ1 LYS 62 3HZ LYS 62 14.347 13.932 -7.358 403 HZ2 LYS 62 1HZ LYS 62 14.323 14.730 -8.851 404 HZ3 LYS 62 2HZ LYS 62 15.693 14.826 -7.862 405 H ASN 63 H ASN 63 17.462 8.450 -11.693 406 HA ASN 63 HA ASN 63 15.362 8.249 -13.751 407 HB2 ASN 63 1HB ASN 63 17.171 7.594 -15.314 408 HB3 ASN 63 2HB ASN 63 17.410 9.208 -14.650 409 HD21 ASN 63 1HD2 ASN 63 19.561 9.397 -14.715 410 HD22 ASN 63 2HD2 ASN 63 20.669 8.342 -13.914 411 H GLY 64 H GLY 64 15.598 6.718 -11.237 412 HA2 GLY 64 1HA GLY 64 15.354 4.074 -12.435 413 HA3 GLY 64 2HA GLY 64 16.600 4.251 -11.209 414 H SER 65 H SER 65 13.169 5.129 -11.646 415 HA SER 65 HA SER 65 12.703 4.654 -8.810 416 HB2 SER 65 1HB SER 65 11.750 6.669 -9.923 417 HB3 SER 65 2HB SER 65 10.766 5.609 -10.931 418 HG SER 65 HG SER 65 9.681 6.416 -9.034 419 H CYS 66 H CYS 66 12.916 2.398 -8.712 420 HA CYS 66 HA CYS 66 11.624 0.561 -10.377 421 HB2 CYS 66 1HB CYS 66 11.927 -1.039 -8.466 422 HB3 CYS 66 2HB CYS 66 13.392 -0.189 -8.942 423 HG CYS 66 HG CYS 66 12.290 -0.521 -5.987 424 H GLY 67 H GLY 67 10.595 1.963 -7.277 425 HA2 GLY 67 1HA GLY 67 8.178 2.580 -7.217 426 HA3 GLY 67 2HA GLY 67 7.871 0.975 -7.862 427 H VAL 68 H VAL 68 6.793 -0.040 -6.281 428 HA VAL 68 HA VAL 68 8.153 -0.310 -3.691 429 HB VAL 68 HB VAL 68 5.187 0.175 -4.015 430 HG11 VAL 68 1HG1 VAL 68 6.819 -0.184 -1.504 431 HG12 VAL 68 2HG1 VAL 68 5.080 0.107 -1.599 432 HG13 VAL 68 3HG1 VAL 68 5.758 -1.404 -2.208 433 HG21 VAL 68 3HG2 VAL 68 6.122 2.280 -4.252 434 HG22 VAL 68 1HG2 VAL 68 5.849 2.187 -2.511 435 HG23 VAL 68 2HG2 VAL 68 7.464 1.919 -3.166 436 H SER 69 H SER 69 8.557 -2.383 -3.353 437 HA SER 69 HA SER 69 6.542 -4.371 -4.142 438 HB2 SER 69 1HB SER 69 9.436 -5.082 -4.374 439 HB3 SER 69 2HB SER 69 8.049 -5.723 -5.255 440 HG SER 69 HG SER 69 7.952 -3.590 -6.275 441 H TYR 70 H TYR 70 6.476 -6.258 -2.871 442 HA TYR 70 HA TYR 70 8.239 -6.523 -0.596 443 HB2 TYR 70 1HB TYR 70 6.720 -6.121 1.118 444 HB3 TYR 70 2HB TYR 70 6.324 -4.849 -0.032 445 HD1 TYR 70 1HD TYR 70 5.233 -8.068 1.381 446 HD2 TYR 70 2HD TYR 70 4.210 -4.819 -1.169 447 HE1 TYR 70 1HE TYR 70 2.899 -8.842 1.341 448 HE2 TYR 70 2HE TYR 70 1.872 -5.584 -1.215 449 HH TYR 70 HH TYR 70 0.505 -7.446 0.857 450 H ILE 71 H ILE 71 8.288 -8.581 0.218 451 HA ILE 71 HA ILE 71 6.463 -10.523 -1.044 452 HB ILE 71 HB ILE 71 9.400 -10.745 -0.441 453 HG12 ILE 71 1HG1 ILE 71 7.801 -11.426 -2.916 454 HG13 ILE 71 2HG1 ILE 71 8.619 -9.889 -2.659 455 HG21 ILE 71 1HG2 ILE 71 7.414 -12.966 -0.850 456 HG22 ILE 71 2HG2 ILE 71 9.146 -13.166 -1.104 457 HG23 ILE 71 3HG2 ILE 71 8.532 -12.739 0.494 458 HD11 ILE 71 3HD1 ILE 71 10.469 -10.744 -3.500 459 HD12 ILE 71 1HD1 ILE 71 10.501 -11.954 -2.217 460 HD13 ILE 71 2HD1 ILE 71 9.657 -12.293 -3.729 461 H ALA 72 H ALA 72 5.591 -12.127 0.213 462 HA ALA 72 HA ALA 72 6.097 -11.915 3.110 463 HB1 ALA 72 3HB ALA 72 3.735 -12.823 3.324 464 HB2 ALA 72 1HB ALA 72 3.897 -11.164 2.748 465 HB3 ALA 72 2HB ALA 72 3.553 -12.465 1.607 466 H GLN 73 H GLN 73 7.537 -13.534 3.453 467 HA GLN 73 HA GLN 73 7.874 -15.919 2.208 468 HB2 GLN 73 1HB GLN 73 8.070 -15.380 5.175 469 HB3 GLN 73 2HB GLN 73 8.716 -16.811 4.382 470 HG2 GLN 73 1HG GLN 73 9.592 -13.959 4.048 471 HG3 GLN 73 2HG GLN 73 10.517 -15.317 4.689 472 HE21 GLN 73 1HE2 GLN 73 11.255 -13.557 2.551 473 HE22 GLN 73 2HE2 GLN 73 11.443 -14.530 1.136 474 H GLU 74 H GLU 74 5.792 -15.479 5.074 475 HA GLU 74 HA GLU 74 4.393 -17.957 4.336 476 HB2 GLU 74 1HB GLU 74 4.307 -16.494 6.977 477 HB3 GLU 74 2HB GLU 74 3.650 -18.087 6.633 478 HG2 GLU 74 1HG GLU 74 6.550 -17.636 6.186 479 HG3 GLU 74 2HG GLU 74 5.964 -17.771 7.844 480 HA PRO 75 HA PRO 75 0.815 -15.682 3.158 481 HB2 PRO 75 1HB PRO 75 -1.064 -17.607 3.525 482 HB3 PRO 75 2HB PRO 75 0.084 -17.628 2.181 483 HG2 PRO 75 1HG PRO 75 0.178 -19.120 4.774 484 HG3 PRO 75 2HG PRO 75 0.543 -19.697 3.138 485 HD2 PRO 75 1HD PRO 75 2.475 -18.998 4.902 486 HD3 PRO 75 2HD PRO 75 2.657 -18.777 3.150 487 H GLY 76 H GLY 76 -0.998 -14.632 4.016 488 HA2 GLY 76 1HA GLY 76 -2.452 -15.086 6.250 489 HA3 GLY 76 2HA GLY 76 -0.978 -14.378 6.896 490 H ASN 77 H ASN 77 -2.827 -12.859 7.605 491 HA ASN 77 HA ASN 77 -3.586 -10.953 5.536 492 HB2 ASN 77 1HB ASN 77 -5.019 -9.957 7.226 493 HB3 ASN 77 2HB ASN 77 -5.262 -11.701 7.205 494 HD21 ASN 77 1HD2 ASN 77 -5.656 -9.617 9.298 495 HD22 ASN 77 2HD2 ASN 77 -4.791 -10.205 10.674 496 H TYR 78 H TYR 78 -1.806 -9.766 5.015 497 HA TYR 78 HA TYR 78 -0.166 -8.606 7.118 498 HB2 TYR 78 1HB TYR 78 0.035 -8.636 4.111 499 HB3 TYR 78 2HB TYR 78 1.094 -7.647 5.108 500 HD1 TYR 78 2HD TYR 78 0.047 -11.148 4.462 501 HD2 TYR 78 1HD TYR 78 2.994 -8.577 6.136 502 HE1 TYR 78 2HE TYR 78 1.540 -13.076 4.775 503 HE2 TYR 78 1HE TYR 78 4.498 -10.498 6.454 504 HH TYR 78 HH TYR 78 3.438 -13.737 6.108 505 H GLU 79 H GLU 79 -0.318 -6.575 7.833 506 HA GLU 79 HA GLU 79 -2.234 -4.793 6.489 507 HB2 GLU 79 1HB GLU 79 -2.382 -5.574 9.017 508 HB3 GLU 79 2HB GLU 79 -1.241 -4.257 9.252 509 HG2 GLU 79 1HG GLU 79 -2.978 -2.880 7.885 510 HG3 GLU 79 2HG GLU 79 -4.085 -4.162 8.370 511 H VAL 80 H VAL 80 -1.122 -3.559 5.090 512 HA VAL 80 HA VAL 80 1.512 -2.545 5.754 513 HB VAL 80 HB VAL 80 -0.166 -1.982 3.307 514 HG11 VAL 80 1HG1 VAL 80 2.600 -1.287 4.141 515 HG12 VAL 80 2HG1 VAL 80 2.314 -1.671 2.443 516 HG13 VAL 80 3HG1 VAL 80 1.430 -0.352 3.211 517 HG21 VAL 80 3HG2 VAL 80 0.406 -3.962 2.458 518 HG22 VAL 80 1HG2 VAL 80 2.092 -3.753 2.933 519 HG23 VAL 80 2HG2 VAL 80 0.928 -4.414 4.081 520 H SER 81 H SER 81 1.750 -0.769 6.927 521 HA SER 81 HA SER 81 -0.410 1.180 7.081 522 HB2 SER 81 1HB SER 81 0.814 0.296 9.127 523 HB3 SER 81 2HB SER 81 2.205 1.239 8.592 524 HG SER 81 HG SER 81 0.526 3.030 8.537 525 H ILE 82 H ILE 82 -0.448 2.863 5.761 526 HA ILE 82 HA ILE 82 2.109 3.899 4.721 527 HB ILE 82 HB ILE 82 -0.627 3.987 3.446 528 HG12 ILE 82 1HG1 ILE 82 1.915 2.519 2.718 529 HG13 ILE 82 2HG1 ILE 82 0.403 1.798 3.258 530 HG21 ILE 82 1HG2 ILE 82 0.216 5.932 2.632 531 HG22 ILE 82 2HG2 ILE 82 1.890 5.438 2.879 532 HG23 ILE 82 3HG2 ILE 82 0.985 4.821 1.497 533 HD11 ILE 82 3HD1 ILE 82 -0.596 2.951 1.165 534 HD12 ILE 82 1HD1 ILE 82 1.082 3.016 0.624 535 HD13 ILE 82 2HD1 ILE 82 0.331 1.461 0.986 536 H LYS 83 H LYS 83 2.593 6.003 4.996 537 HA LYS 83 HA LYS 83 0.507 7.796 6.031 538 HB2 LYS 83 1HB LYS 83 3.118 7.082 7.268 539 HB3 LYS 83 2HB LYS 83 2.603 8.760 7.378 540 HG2 LYS 83 1HG LYS 83 0.349 7.640 8.188 541 HG3 LYS 83 2HG LYS 83 1.449 6.331 8.629 542 HD2 LYS 83 1HD LYS 83 1.838 9.206 9.450 543 HD3 LYS 83 2HD LYS 83 1.027 7.998 10.449 544 HE2 LYS 83 1HE LYS 83 3.754 7.433 9.372 545 HE3 LYS 83 2HE LYS 83 3.576 8.493 10.770 546 HZ1 LYS 83 3HZ LYS 83 2.082 6.023 10.926 547 HZ2 LYS 83 1HZ LYS 83 3.040 6.787 12.094 548 HZ3 LYS 83 2HZ LYS 83 3.761 5.823 10.907 549 H PHE 84 H PHE 84 0.308 9.469 4.711 550 HA PHE 84 HA PHE 84 2.557 10.239 3.012 551 HB2 PHE 84 1HB PHE 84 0.474 9.895 1.846 552 HB3 PHE 84 2HB PHE 84 -0.371 10.983 2.943 553 HD1 PHE 84 2HD PHE 84 2.268 10.859 0.346 554 HD2 PHE 84 1HD PHE 84 -0.502 13.270 2.498 555 HE1 PHE 84 2HE PHE 84 2.736 12.741 -1.168 556 HE2 PHE 84 1HE PHE 84 -0.040 15.156 0.986 557 HZ PHE 84 HZ PHE 84 1.582 14.893 -0.849 558 H ASN 85 H ASN 85 3.909 11.599 4.021 559 HA ASN 85 HA ASN 85 4.703 13.496 4.993 560 HB2 ASN 85 1HB ASN 85 1.925 14.572 4.457 561 HB3 ASN 85 2HB ASN 85 3.334 15.537 4.887 562 HD21 ASN 85 1HD2 ASN 85 3.430 16.729 3.048 563 HD22 ASN 85 2HD2 ASN 85 3.792 16.066 1.493 564 H ASP 86 H ASP 86 3.772 11.462 6.659 565 HA ASP 86 HA ASP 86 3.417 11.079 8.876 566 HB2 ASP 86 1HB ASP 86 3.307 14.083 9.205 567 HB3 ASP 86 2HB ASP 86 3.627 12.886 10.457 568 H GLU 87 H GLU 87 1.250 11.044 7.115 569 HA GLU 87 HA GLU 87 -0.919 11.666 8.973 570 HB2 GLU 87 1HB GLU 87 -0.602 12.754 6.214 571 HB3 GLU 87 2HB GLU 87 -2.217 12.317 6.752 572 HG2 GLU 87 1HG GLU 87 -1.817 13.775 8.765 573 HG3 GLU 87 2HG GLU 87 -0.363 14.349 7.953 574 H HIS 88 H HIS 88 -2.492 10.149 9.034 575 HA HIS 88 HA HIS 88 -2.068 7.745 7.454 576 HB2 HIS 88 1HB HIS 88 -3.495 8.424 9.966 577 HB3 HIS 88 2HB HIS 88 -4.168 7.105 9.011 578 HD2 HIS 88 2HD HIS 88 -0.985 7.905 11.127 579 HE1 HIS 88 1HE HIS 88 -0.934 3.787 10.104 580 HE2 HIS 88 2HE HIS 88 0.104 5.592 11.522 581 H ILE 89 H ILE 89 -2.832 8.122 5.418 582 HA ILE 89 HA ILE 89 -5.066 9.557 4.659 583 HB ILE 89 HB ILE 89 -5.132 7.882 2.678 584 HG12 ILE 89 1HG1 ILE 89 -2.454 7.132 3.861 585 HG13 ILE 89 2HG1 ILE 89 -3.888 6.121 3.996 586 HG21 ILE 89 1HG2 ILE 89 -3.283 9.004 1.625 587 HG22 ILE 89 2HG2 ILE 89 -4.127 10.147 2.669 588 HG23 ILE 89 3HG2 ILE 89 -2.601 9.435 3.193 589 HD11 ILE 89 3HD1 ILE 89 -3.560 5.277 1.979 590 HD12 ILE 89 1HD1 ILE 89 -3.431 6.883 1.261 591 HD13 ILE 89 2HD1 ILE 89 -2.006 6.110 1.956 592 HA PRO 90 HA PRO 90 -8.633 7.262 5.784 593 HB2 PRO 90 1HB PRO 90 -10.266 7.704 3.661 594 HB3 PRO 90 2HB PRO 90 -9.881 8.951 4.852 595 HG2 PRO 90 1HG PRO 90 -8.706 8.498 2.136 596 HG3 PRO 90 2HG PRO 90 -9.187 10.021 2.907 597 HD2 PRO 90 1HD PRO 90 -6.610 9.197 2.791 598 HD3 PRO 90 2HD PRO 90 -7.248 10.153 4.145 599 H GLU 91 H GLU 91 -6.575 6.210 3.451 600 HA GLU 91 HA GLU 91 -8.229 3.857 2.813 601 HB2 GLU 91 1HB GLU 91 -5.955 5.115 1.277 602 HB3 GLU 91 2HB GLU 91 -6.643 3.546 0.882 603 HG2 GLU 91 1HG GLU 91 -8.229 6.100 0.969 604 HG3 GLU 91 2HG GLU 91 -7.495 5.439 -0.491 605 H SER 92 H SER 92 -5.573 4.954 4.560 606 HA SER 92 HA SER 92 -4.473 2.226 4.754 607 HB2 SER 92 1HB SER 92 -2.337 3.058 4.944 608 HB3 SER 92 2HB SER 92 -3.047 4.314 3.929 609 HG SER 92 HG SER 92 -2.607 4.373 6.727 610 HA PRO 93 HA PRO 93 -2.650 1.536 6.152 611 HB2 PRO 93 1HB PRO 93 -2.920 -0.719 7.639 612 HB3 PRO 93 2HB PRO 93 -1.998 0.686 8.185 613 HG2 PRO 93 1HG PRO 93 -4.792 -0.135 8.883 614 HG3 PRO 93 2HG PRO 93 -3.510 0.486 9.941 615 HD2 PRO 93 1HD PRO 93 -5.527 2.045 9.026 616 HD3 PRO 93 2HD PRO 93 -3.896 2.676 9.332 617 H TYR 94 H TYR 94 -2.646 -0.583 5.033 618 HA TYR 94 HA TYR 94 -5.335 -1.206 4.013 619 HB2 TYR 94 1HB TYR 94 -2.621 -1.538 2.721 620 HB3 TYR 94 2HB TYR 94 -4.134 -2.091 2.009 621 HD1 TYR 94 2HD TYR 94 -2.251 0.914 3.068 622 HD2 TYR 94 1HD TYR 94 -5.566 -0.589 0.863 623 HE1 TYR 94 2HE TYR 94 -2.578 3.132 2.056 624 HE2 TYR 94 1HE TYR 94 -5.901 1.624 -0.156 625 HH TYR 94 HH TYR 94 -3.590 4.144 0.126 626 H LEU 95 H LEU 95 -5.946 -3.367 3.680 627 HA LEU 95 HA LEU 95 -4.320 -5.344 5.141 628 HB2 LEU 95 1HB LEU 95 -6.475 -4.618 6.237 629 HB3 LEU 95 2HB LEU 95 -7.319 -5.379 4.891 630 HG LEU 95 HG LEU 95 -6.229 -7.540 5.546 631 HD11 LEU 95 1HD1 LEU 95 -4.910 -7.762 7.374 632 HD12 LEU 95 2HD1 LEU 95 -5.699 -6.447 8.244 633 HD13 LEU 95 3HD1 LEU 95 -4.517 -6.087 6.985 634 HD21 LEU 95 3HD2 LEU 95 -8.539 -6.993 6.152 635 HD22 LEU 95 1HD2 LEU 95 -7.966 -6.225 7.633 636 HD23 LEU 95 2HD2 LEU 95 -7.750 -7.960 7.399 637 H VAL 96 H VAL 96 -3.394 -6.612 3.666 638 HA VAL 96 HA VAL 96 -5.015 -7.515 1.376 639 HB VAL 96 HB VAL 96 -2.017 -7.685 1.479 640 HG11 VAL 96 1HG1 VAL 96 -2.131 -8.216 -0.721 641 HG12 VAL 96 2HG1 VAL 96 -3.741 -8.769 -0.258 642 HG13 VAL 96 3HG1 VAL 96 -3.533 -7.187 -1.009 643 HG21 VAL 96 3HG2 VAL 96 -3.534 -5.281 1.480 644 HG22 VAL 96 1HG2 VAL 96 -1.789 -5.483 1.320 645 HG23 VAL 96 2HG2 VAL 96 -2.812 -5.479 -0.116 646 HA PRO 97 HA PRO 97 -4.843 -11.425 3.568 647 HB2 PRO 97 1HB PRO 97 -6.531 -12.717 1.879 648 HB3 PRO 97 2HB PRO 97 -7.093 -11.610 3.137 649 HG2 PRO 97 1HG PRO 97 -6.708 -11.111 0.211 650 HG3 PRO 97 2HG PRO 97 -8.043 -10.610 1.265 651 HD2 PRO 97 1HD PRO 97 -6.045 -8.930 0.546 652 HD3 PRO 97 2HD PRO 97 -6.865 -8.821 2.117 653 H VAL 98 H VAL 98 -2.659 -11.890 3.058 654 HA VAL 98 HA VAL 98 -1.929 -12.851 0.446 655 HB VAL 98 HB VAL 98 -0.387 -12.938 3.044 656 HG11 VAL 98 1HG1 VAL 98 0.322 -14.612 1.342 657 HG12 VAL 98 2HG1 VAL 98 0.639 -13.279 0.229 658 HG13 VAL 98 3HG1 VAL 98 1.559 -13.416 1.728 659 HG21 VAL 98 3HG2 VAL 98 -0.169 -11.016 0.728 660 HG22 VAL 98 1HG2 VAL 98 -0.945 -10.664 2.273 661 HG23 VAL 98 2HG2 VAL 98 0.786 -10.990 2.210 662 H ILE 99 H ILE 99 -1.805 -14.905 -0.256 663 HA ILE 99 HA ILE 99 -2.165 -17.077 1.691 664 HB ILE 99 HB ILE 99 -3.661 -18.249 0.131 665 HG12 ILE 99 1HG1 ILE 99 -3.987 -15.688 -1.402 666 HG13 ILE 99 2HG1 ILE 99 -2.739 -16.843 -1.859 667 HG21 ILE 99 1HG2 ILE 99 -4.452 -16.671 1.970 668 HG22 ILE 99 2HG2 ILE 99 -4.809 -15.530 0.675 669 HG23 ILE 99 3HG2 ILE 99 -5.618 -17.096 0.718 670 HD11 ILE 99 3HD1 ILE 99 -5.685 -17.040 -2.080 671 HD12 ILE 99 1HD1 ILE 99 -4.423 -17.543 -3.205 672 HD13 ILE 99 2HD1 ILE 99 -4.775 -18.521 -1.780 673 H ALA 100 H ALA 100 -1.392 -19.148 0.987 674 HA ALA 100 HA ALA 100 0.991 -18.932 -0.621 675 HB1 ALA 100 3HB ALA 100 0.566 -21.626 -0.000 676 HB2 ALA 100 1HB ALA 100 1.634 -20.490 0.823 677 HB3 ALA 100 2HB ALA 100 -0.021 -20.717 1.392 678 HA PRO 101 HA PRO 101 -1.213 -20.066 -4.345 679 HB2 PRO 101 1HB PRO 101 0.944 -19.880 -5.982 680 HB3 PRO 101 2HB PRO 101 0.051 -18.468 -5.406 681 HG2 PRO 101 1HG PRO 101 2.614 -19.632 -4.387 682 HG3 PRO 101 2HG PRO 101 2.185 -17.932 -4.654 683 HD2 PRO 101 1HD PRO 101 2.138 -19.080 -2.202 684 HD3 PRO 101 2HD PRO 101 1.017 -17.786 -2.672 685 H SER 102 H SER 102 -1.690 -22.086 -4.913 686 HA SER 102 HA SER 102 0.003 -24.285 -4.220 687 HB2 SER 102 1HB SER 102 -2.680 -23.976 -5.504 688 HB3 SER 102 2HB SER 102 -1.834 -25.514 -5.676 689 HG SER 102 HG SER 102 -3.027 -25.672 -3.831 690 H ASP 103 H ASP 103 1.815 -24.620 -5.340 691 HA ASP 103 HA ASP 103 2.017 -23.994 -8.146 692 HB2 ASP 103 1HB ASP 103 4.288 -24.284 -7.909 693 HB3 ASP 103 2HB ASP 103 3.851 -23.909 -6.245 694 H ASP 104 H ASP 104 2.663 -25.538 -9.776 695 HA ASP 104 HA ASP 104 1.201 -28.035 -9.497 696 HB2 ASP 104 1HB ASP 104 0.856 -26.720 -11.524 697 HB3 ASP 104 2HB ASP 104 2.579 -26.793 -11.887 698 H ALA 105 H ALA 105 4.451 -27.078 -10.616 699 HA ALA 105 HA ALA 105 5.393 -29.790 -9.997 700 HB1 ALA 105 3HB ALA 105 5.733 -28.601 -12.288 701 HB2 ALA 105 1HB ALA 105 7.049 -27.774 -11.452 702 HB3 ALA 105 2HB ALA 105 7.051 -29.534 -11.579 Start of MODEL 20 1 H1 GLY 1 H GLY 1 6.190 27.570 4.018 2 HA2 GLY 1 1HA GLY 1 6.244 29.692 4.918 3 HA3 GLY 1 2HA GLY 1 5.851 30.176 3.275 4 H SER 2 H SER 2 3.590 30.373 2.697 5 HA SER 2 HA SER 2 2.058 31.468 4.909 6 HB2 SER 2 1HB SER 2 1.585 31.474 1.921 7 HB3 SER 2 2HB SER 2 0.507 32.233 3.091 8 HG SER 2 HG SER 2 3.012 33.024 2.203 9 H SER 3 H SER 3 0.478 30.427 5.919 10 HA SER 3 HA SER 3 -1.357 28.690 4.637 11 HB2 SER 3 1HB SER 3 -0.737 26.567 5.577 12 HB3 SER 3 2HB SER 3 0.680 27.212 4.748 13 HG SER 3 HG SER 3 0.270 26.724 7.426 14 H GLY 4 H GLY 4 -3.105 28.164 5.954 15 HA2 GLY 4 1HA GLY 4 -3.096 28.422 8.777 16 HA3 GLY 4 2HA GLY 4 -3.705 29.899 8.045 17 H SER 5 H SER 5 -5.607 29.771 6.712 18 HA SER 5 HA SER 5 -7.441 27.724 7.686 19 HB2 SER 5 1HB SER 5 -8.038 30.186 6.030 20 HB3 SER 5 2HB SER 5 -9.215 29.158 6.846 21 HG SER 5 HG SER 5 -7.885 29.759 8.808 22 H SER 6 H SER 6 -6.374 29.115 4.595 23 HA SER 6 HA SER 6 -7.742 27.045 3.098 24 HB2 SER 6 1HB SER 6 -7.771 29.196 2.072 25 HB3 SER 6 2HB SER 6 -6.031 29.398 2.287 26 HG SER 6 HG SER 6 -6.782 28.765 0.124 27 H GLY 7 H GLY 7 -6.700 25.554 1.699 28 HA2 GLY 7 1HA GLY 7 -3.828 25.214 1.884 29 HA3 GLY 7 2HA GLY 7 -4.766 23.965 2.690 30 H GLU 8 H GLU 8 -2.969 23.814 0.352 31 HA GLU 8 HA GLU 8 -4.527 23.460 -1.995 32 HB2 GLU 8 1HB GLU 8 -1.758 22.654 -1.169 33 HB3 GLU 8 2HB GLU 8 -2.445 22.046 -2.669 34 HG2 GLU 8 1HG GLU 8 -2.777 24.335 -3.450 35 HG3 GLU 8 2HG GLU 8 -2.092 24.947 -1.945 36 H GLY 9 H GLY 9 -2.982 21.056 0.150 37 HA2 GLY 9 1HA GLY 9 -5.254 19.353 0.175 38 HA3 GLY 9 2HA GLY 9 -4.076 18.776 -0.993 39 H GLY 10 H GLY 10 -3.743 16.870 0.211 40 HA2 GLY 10 1HA GLY 10 -1.559 16.866 1.925 41 HA3 GLY 10 2HA GLY 10 -2.988 16.882 2.948 42 H ALA 11 H ALA 11 -3.207 14.893 3.742 43 HA ALA 11 HA ALA 11 -2.427 12.554 2.278 44 HB1 ALA 11 3HB ALA 11 -2.825 11.364 4.218 45 HB2 ALA 11 1HB ALA 11 -2.423 12.963 4.843 46 HB3 ALA 11 2HB ALA 11 -4.108 12.451 4.747 47 H HIS 12 H HIS 12 -5.562 13.730 3.514 48 HA HIS 12 HA HIS 12 -7.217 11.805 2.468 49 HB2 HIS 12 1HB HIS 12 -9.007 13.458 2.541 50 HB3 HIS 12 2HB HIS 12 -7.969 13.628 3.954 51 HD1 HIS 12 1HD HIS 12 -5.901 15.521 3.350 52 HD2 HIS 12 2HD HIS 12 -9.630 15.880 1.552 53 HE1 HIS 12 1HE HIS 12 -6.061 17.918 2.606 54 H LYS 13 H LYS 13 -5.522 14.324 0.796 55 HA LYS 13 HA LYS 13 -7.062 13.986 -1.644 56 HB2 LYS 13 1HB LYS 13 -4.650 15.690 -1.004 57 HB3 LYS 13 2HB LYS 13 -5.463 15.672 -2.564 58 HG2 LYS 13 1HG LYS 13 -7.076 16.231 -0.128 59 HG3 LYS 13 2HG LYS 13 -6.013 17.494 -0.756 60 HD2 LYS 13 1HD LYS 13 -8.054 17.895 -1.819 61 HD3 LYS 13 2HD LYS 13 -7.113 17.015 -3.026 62 HE2 LYS 13 1HE LYS 13 -8.385 15.120 -2.835 63 HE3 LYS 13 2HE LYS 13 -8.827 15.455 -1.162 64 HZ1 LYS 13 3HZ LYS 13 -10.675 16.463 -1.817 65 HZ2 LYS 13 1HZ LYS 13 -10.374 15.894 -3.382 66 HZ3 LYS 13 2HZ LYS 13 -9.852 17.438 -2.929 67 H VAL 14 H VAL 14 -5.432 11.782 -0.465 68 HA VAL 14 HA VAL 14 -3.754 11.250 -2.828 69 HB VAL 14 HB VAL 14 -3.190 10.582 0.055 70 HG11 VAL 14 1HG1 VAL 14 -2.023 9.390 -2.444 71 HG12 VAL 14 2HG1 VAL 14 -1.160 9.390 -0.905 72 HG13 VAL 14 3HG1 VAL 14 -2.710 8.560 -1.048 73 HG21 VAL 14 3HG2 VAL 14 -2.358 12.650 -1.668 74 HG22 VAL 14 1HG2 VAL 14 -1.769 12.286 -0.046 75 HG23 VAL 14 2HG2 VAL 14 -0.972 11.580 -1.453 76 H ARG 15 H ARG 15 -4.224 9.446 -3.913 77 HA ARG 15 HA ARG 15 -5.904 7.422 -2.583 78 HB2 ARG 15 1HB ARG 15 -6.991 8.876 -4.405 79 HB3 ARG 15 2HB ARG 15 -5.986 7.983 -5.539 80 HG2 ARG 15 1HG ARG 15 -7.917 6.765 -5.621 81 HG3 ARG 15 2HG ARG 15 -7.038 5.897 -4.361 82 HD2 ARG 15 1HD ARG 15 -9.096 6.148 -3.370 83 HD3 ARG 15 2HD ARG 15 -8.255 7.579 -2.771 84 HE ARG 15 HE ARG 15 -9.709 8.884 -3.959 85 HH11 ARG 15 1HH1 ARG 15 -9.896 5.613 -5.136 86 HH12 ARG 15 2HH1 ARG 15 -11.258 5.922 -6.161 87 HH21 ARG 15 1HH2 ARG 15 -11.502 9.303 -5.306 88 HH22 ARG 15 2HH2 ARG 15 -12.170 8.021 -6.259 89 H ALA 16 H ALA 16 -5.301 5.330 -2.758 90 HA ALA 16 HA ALA 16 -2.943 4.745 -4.429 91 HB1 ALA 16 3HB ALA 16 -3.277 2.918 -2.212 92 HB2 ALA 16 1HB ALA 16 -1.874 3.878 -2.681 93 HB3 ALA 16 2HB ALA 16 -3.128 4.588 -1.664 94 H GLY 17 H GLY 17 -2.814 2.663 -5.380 95 HA2 GLY 17 1HA GLY 17 -4.750 0.646 -5.112 96 HA3 GLY 17 2HA GLY 17 -5.230 1.694 -6.439 97 H GLY 18 H GLY 18 -3.830 -1.138 -5.868 98 HA2 GLY 18 1HA GLY 18 -2.414 -1.088 -8.411 99 HA3 GLY 18 2HA GLY 18 -1.440 -1.475 -7.000 100 HA PRO 19 HA PRO 19 -3.496 -5.319 -8.800 101 HB2 PRO 19 1HB PRO 19 -1.209 -6.592 -9.523 102 HB3 PRO 19 2HB PRO 19 -2.082 -5.497 -10.602 103 HG2 PRO 19 1HG PRO 19 0.339 -4.970 -8.924 104 HG3 PRO 19 2HG PRO 19 0.007 -4.479 -10.595 105 HD2 PRO 19 1HD PRO 19 -0.282 -2.793 -8.496 106 HD3 PRO 19 2HD PRO 19 -1.305 -2.700 -9.944 107 H GLY 20 H GLY 20 -0.959 -4.564 -6.563 108 HA2 GLY 20 1HA GLY 20 -0.989 -7.222 -5.365 109 HA3 GLY 20 2HA GLY 20 0.029 -5.873 -4.884 110 H LEU 21 H LEU 21 -2.021 -3.936 -4.573 111 HA LEU 21 HA LEU 21 -2.747 -4.347 -1.915 112 HB2 LEU 21 1HB LEU 21 -3.906 -2.515 -4.004 113 HB3 LEU 21 2HB LEU 21 -4.355 -2.457 -2.301 114 HG LEU 21 HG LEU 21 -1.555 -2.015 -3.330 115 HD11 LEU 21 1HD1 LEU 21 -2.501 0.372 -2.322 116 HD12 LEU 21 2HD1 LEU 21 -3.859 -0.251 -3.259 117 HD13 LEU 21 3HD1 LEU 21 -2.285 -0.031 -4.026 118 HD21 LEU 21 3HD2 LEU 21 -1.070 -1.236 -1.127 119 HD22 LEU 21 1HD2 LEU 21 -1.830 -2.820 -0.980 120 HD23 LEU 21 2HD2 LEU 21 -2.763 -1.360 -0.649 121 H GLU 22 H GLU 22 -4.331 -5.283 -4.862 122 HA GLU 22 HA GLU 22 -6.913 -5.738 -3.766 123 HB2 GLU 22 1HB GLU 22 -5.643 -7.003 -6.200 124 HB3 GLU 22 2HB GLU 22 -7.360 -6.974 -5.824 125 HG2 GLU 22 1HG GLU 22 -5.928 -4.382 -6.011 126 HG3 GLU 22 2HG GLU 22 -6.267 -5.259 -7.502 127 H ARG 23 H ARG 23 -4.091 -7.801 -4.311 128 HA ARG 23 HA ARG 23 -4.676 -9.498 -2.141 129 HB2 ARG 23 1HB ARG 23 -6.383 -10.120 -4.071 130 HB3 ARG 23 2HB ARG 23 -5.002 -11.017 -4.688 131 HG2 ARG 23 1HG ARG 23 -4.877 -12.009 -2.306 132 HG3 ARG 23 2HG ARG 23 -6.537 -11.425 -2.158 133 HD2 ARG 23 1HD ARG 23 -6.783 -12.648 -4.493 134 HD3 ARG 23 2HD ARG 23 -5.418 -13.577 -3.877 135 HE ARG 23 HE ARG 23 -7.169 -13.641 -1.823 136 HH11 ARG 23 1HH1 ARG 23 -7.455 -14.360 -5.217 137 HH12 ARG 23 2HH1 ARG 23 -8.687 -15.557 -4.993 138 HH21 ARG 23 1HH2 ARG 23 -8.791 -15.215 -1.514 139 HH22 ARG 23 2HH2 ARG 23 -9.447 -16.042 -2.886 140 H GLY 24 H GLY 24 -2.916 -10.705 -1.600 141 HA2 GLY 24 1HA GLY 24 -0.693 -10.713 -3.550 142 HA3 GLY 24 2HA GLY 24 -0.461 -10.482 -1.823 143 H GLU 25 H GLU 25 1.065 -12.357 -2.769 144 HA GLU 25 HA GLU 25 -0.226 -14.850 -1.908 145 HB2 GLU 25 1HB GLU 25 1.340 -14.364 -4.417 146 HB3 GLU 25 2HB GLU 25 1.365 -15.952 -3.663 147 HG2 GLU 25 1HG GLU 25 -0.831 -16.369 -4.140 148 HG3 GLU 25 2HG GLU 25 -1.264 -14.661 -4.173 149 H ALA 26 H ALA 26 1.331 -16.511 -1.215 150 HA ALA 26 HA ALA 26 3.393 -15.322 0.412 151 HB1 ALA 26 3HB ALA 26 3.522 -17.369 1.524 152 HB2 ALA 26 1HB ALA 26 1.823 -17.241 1.065 153 HB3 ALA 26 2HB ALA 26 2.913 -18.269 0.134 154 H GLY 27 H GLY 27 5.527 -15.283 0.033 155 HA2 GLY 27 1HA GLY 27 7.576 -15.777 -0.909 156 HA3 GLY 27 2HA GLY 27 6.842 -17.189 -1.656 157 H VAL 28 H VAL 28 4.996 -14.528 -2.396 158 HA VAL 28 HA VAL 28 6.363 -14.226 -4.989 159 HB VAL 28 HB VAL 28 3.440 -13.985 -4.282 160 HG11 VAL 28 1HG1 VAL 28 4.954 -13.000 -6.656 161 HG12 VAL 28 2HG1 VAL 28 3.315 -13.621 -6.872 162 HG13 VAL 28 3HG1 VAL 28 3.609 -12.257 -5.791 163 HG21 VAL 28 3HG2 VAL 28 4.668 -15.699 -6.414 164 HG22 VAL 28 1HG2 VAL 28 4.579 -16.242 -4.739 165 HG23 VAL 28 2HG2 VAL 28 3.101 -15.865 -5.624 166 HA PRO 29 HA PRO 29 7.143 -10.040 -3.723 167 HB2 PRO 29 1HB PRO 29 8.169 -9.196 -6.090 168 HB3 PRO 29 2HB PRO 29 9.077 -10.199 -4.953 169 HG2 PRO 29 1HG PRO 29 7.593 -11.006 -7.425 170 HG3 PRO 29 2HG PRO 29 9.184 -11.539 -6.852 171 HD2 PRO 29 1HD PRO 29 6.944 -13.026 -6.524 172 HD3 PRO 29 2HD PRO 29 8.281 -13.043 -5.355 173 H ALA 30 H ALA 30 5.443 -8.726 -3.486 174 HA ALA 30 HA ALA 30 3.697 -8.208 -5.788 175 HB1 ALA 30 3HB ALA 30 2.337 -7.053 -3.845 176 HB2 ALA 30 1HB ALA 30 2.277 -8.798 -4.099 177 HB3 ALA 30 2HB ALA 30 3.314 -8.124 -2.841 178 H GLU 31 H GLU 31 3.778 -6.327 -6.828 179 HA GLU 31 HA GLU 31 5.087 -4.048 -5.493 180 HB2 GLU 31 1HB GLU 31 5.381 -5.133 -8.262 181 HB3 GLU 31 2HB GLU 31 5.545 -3.401 -8.014 182 HG2 GLU 31 1HG GLU 31 7.281 -3.889 -6.291 183 HG3 GLU 31 2HG GLU 31 7.191 -5.584 -6.765 184 H PHE 32 H PHE 32 4.256 -1.982 -5.884 185 HA PHE 32 HA PHE 32 1.961 -1.603 -7.575 186 HB2 PHE 32 1HB PHE 32 0.408 -0.956 -5.796 187 HB3 PHE 32 2HB PHE 32 0.904 -2.635 -5.609 188 HD1 PHE 32 2HD PHE 32 2.688 -3.179 -3.908 189 HD2 PHE 32 1HD PHE 32 0.730 0.596 -4.078 190 HE1 PHE 32 2HE PHE 32 3.387 -2.716 -1.595 191 HE2 PHE 32 1HE PHE 32 1.426 1.065 -1.766 192 HZ PHE 32 HZ PHE 32 2.756 -0.592 -0.521 193 H SER 33 H SER 33 1.711 0.499 -8.145 194 HA SER 33 HA SER 33 3.634 2.392 -7.000 195 HB2 SER 33 1HB SER 33 3.474 3.625 -9.033 196 HB3 SER 33 2HB SER 33 3.554 1.926 -9.501 197 HG SER 33 HG SER 33 1.894 2.779 -10.653 198 H ILE 34 H ILE 34 3.020 4.491 -6.385 199 HA ILE 34 HA ILE 34 0.139 4.809 -5.841 200 HB ILE 34 HB ILE 34 2.426 5.839 -4.157 201 HG12 ILE 34 1HG1 ILE 34 0.426 3.707 -3.413 202 HG13 ILE 34 2HG1 ILE 34 1.980 3.322 -4.145 203 HG21 ILE 34 1HG2 ILE 34 0.681 7.354 -3.868 204 HG22 ILE 34 2HG2 ILE 34 -0.552 6.099 -3.966 205 HG23 ILE 34 3HG2 ILE 34 0.470 6.221 -2.534 206 HD11 ILE 34 3HD1 ILE 34 1.543 3.431 -1.498 207 HD12 ILE 34 1HD1 ILE 34 3.112 3.717 -2.250 208 HD13 ILE 34 2HD1 ILE 34 2.090 5.082 -1.795 209 H TRP 35 H TRP 35 -0.792 6.519 -6.741 210 HA TRP 35 HA TRP 35 0.931 8.666 -7.777 211 HB2 TRP 35 1HB TRP 35 -0.614 7.283 -9.320 212 HB3 TRP 35 2HB TRP 35 -1.928 8.209 -8.599 213 HD1 TRP 35 HD TRP 35 -2.620 10.013 -10.269 214 HE1 TRP 35 1HE TRP 35 -1.399 11.693 -11.788 215 HE3 TRP 35 3HE TRP 35 2.201 8.583 -9.349 216 HZ2 TRP 35 2HZ TRP 35 1.258 12.328 -12.502 217 HZ3 TRP 35 3HZ TRP 35 4.024 9.778 -10.491 218 HH2 TRP 35 HH TRP 35 3.560 11.612 -12.034 219 H THR 36 H THR 36 0.314 10.846 -7.516 220 HA THR 36 HA THR 36 -1.453 11.295 -5.203 221 HB THR 36 HB THR 36 -0.219 13.414 -4.865 222 HG1 THR 36 1HG THR 36 1.494 12.419 -6.919 223 HG21 THR 36 3HG2 THR 36 0.730 10.771 -4.422 224 HG22 THR 36 1HG2 THR 36 1.040 12.222 -3.469 225 HG23 THR 36 2HG2 THR 36 2.116 11.794 -4.799 226 H ARG 37 H ARG 37 -3.409 11.580 -6.223 227 HA ARG 37 HA ARG 37 -3.673 13.346 -8.486 228 HB2 ARG 37 1HB ARG 37 -5.085 11.240 -7.907 229 HB3 ARG 37 2HB ARG 37 -5.974 12.328 -6.850 230 HG2 ARG 37 1HG ARG 37 -6.608 13.710 -8.702 231 HG3 ARG 37 2HG ARG 37 -5.575 12.788 -9.795 232 HD2 ARG 37 1HD ARG 37 -7.702 11.936 -10.205 233 HD3 ARG 37 2HD ARG 37 -6.994 10.764 -9.095 234 HE ARG 37 HE ARG 37 -8.566 11.344 -7.533 235 HH11 ARG 37 1HH1 ARG 37 -8.496 13.759 -10.040 236 HH12 ARG 37 2HH1 ARG 37 -9.900 14.591 -9.458 237 HH21 ARG 37 1HH2 ARG 37 -10.414 12.430 -6.757 238 HH22 ARG 37 2HH2 ARG 37 -10.989 13.835 -7.590 239 H GLU 38 H GLU 38 -3.523 15.471 -8.204 240 HA GLU 38 HA GLU 38 -3.629 17.540 -7.230 241 HB2 GLU 38 1HB GLU 38 -6.054 16.845 -7.963 242 HB3 GLU 38 2HB GLU 38 -6.355 16.817 -6.231 243 HG2 GLU 38 1HG GLU 38 -5.511 19.160 -6.123 244 HG3 GLU 38 2HG GLU 38 -5.444 19.157 -7.884 245 H ALA 39 H ALA 39 -2.180 16.036 -5.593 246 HA ALA 39 HA ALA 39 -3.283 16.444 -2.895 247 HB1 ALA 39 3HB ALA 39 -2.160 14.614 -2.159 248 HB2 ALA 39 1HB ALA 39 -2.327 14.153 -3.853 249 HB3 ALA 39 2HB ALA 39 -0.815 14.851 -3.274 250 H GLY 40 H GLY 40 -0.461 17.015 -4.943 251 HA2 GLY 40 1HA GLY 40 0.477 19.325 -4.582 252 HA3 GLY 40 2HA GLY 40 0.558 18.875 -2.886 253 H ALA 41 H ALA 41 2.416 18.070 -2.166 254 HA ALA 41 HA ALA 41 4.099 16.404 -3.790 255 HB1 ALA 41 3HB ALA 41 4.535 18.951 -4.340 256 HB2 ALA 41 1HB ALA 41 5.511 18.853 -2.874 257 HB3 ALA 41 2HB ALA 41 5.858 17.789 -4.237 258 H GLY 42 H GLY 42 5.280 15.066 -2.540 259 HA2 GLY 42 1HA GLY 42 6.453 15.682 -0.079 260 HA3 GLY 42 2HA GLY 42 4.867 15.002 0.250 261 H GLY 43 H GLY 43 6.301 13.389 1.364 262 HA2 GLY 43 1HA GLY 43 7.437 11.439 -0.529 263 HA3 GLY 43 2HA GLY 43 7.829 11.542 1.182 264 H LEU 44 H LEU 44 7.406 9.171 0.971 265 HA LEU 44 HA LEU 44 4.671 8.643 1.798 266 HB2 LEU 44 1HB LEU 44 5.932 7.549 -0.670 267 HB3 LEU 44 2HB LEU 44 4.840 6.521 0.257 268 HG LEU 44 HG LEU 44 4.025 9.241 -0.737 269 HD11 LEU 44 1HD1 LEU 44 4.761 7.225 -2.423 270 HD12 LEU 44 2HD1 LEU 44 3.595 8.493 -2.799 271 HD13 LEU 44 3HD1 LEU 44 3.035 6.924 -2.219 272 HD21 LEU 44 3HD2 LEU 44 2.448 6.796 0.060 273 HD22 LEU 44 1HD2 LEU 44 1.782 8.344 -0.461 274 HD23 LEU 44 2HD2 LEU 44 2.683 8.236 1.052 275 H SER 45 H SER 45 4.566 7.148 3.374 276 HA SER 45 HA SER 45 6.999 5.575 3.916 277 HB2 SER 45 1HB SER 45 5.172 7.069 5.770 278 HB3 SER 45 2HB SER 45 6.070 5.669 6.358 279 HG SER 45 HG SER 45 7.915 6.914 5.238 280 H ILE 46 H ILE 46 6.698 3.475 3.641 281 HA ILE 46 HA ILE 46 4.025 2.351 4.173 282 HB ILE 46 HB ILE 46 6.057 1.435 2.135 283 HG12 ILE 46 1HG1 ILE 46 3.247 2.297 1.539 284 HG13 ILE 46 2HG1 ILE 46 4.502 3.511 1.760 285 HG21 ILE 46 1HG2 ILE 46 4.270 -0.180 1.474 286 HG22 ILE 46 2HG2 ILE 46 4.993 -0.497 3.050 287 HG23 ILE 46 3HG2 ILE 46 3.405 0.260 2.946 288 HD11 ILE 46 3HD1 ILE 46 4.014 2.774 -0.609 289 HD12 ILE 46 1HD1 ILE 46 5.704 2.756 -0.105 290 HD13 ILE 46 2HD1 ILE 46 4.791 1.248 -0.185 291 H ALA 47 H ALA 47 3.883 0.703 5.574 292 HA ALA 47 HA ALA 47 6.321 -0.751 6.317 293 HB1 ALA 47 3HB ALA 47 6.393 0.541 8.166 294 HB2 ALA 47 1HB ALA 47 4.687 0.980 8.060 295 HB3 ALA 47 2HB ALA 47 5.157 -0.581 8.735 296 H VAL 48 H VAL 48 5.939 -2.834 5.989 297 HA VAL 48 HA VAL 48 3.210 -3.852 6.042 298 HB VAL 48 HB VAL 48 5.776 -5.263 5.295 299 HG11 VAL 48 1HG1 VAL 48 4.608 -7.145 5.106 300 HG12 VAL 48 2HG1 VAL 48 3.275 -6.328 5.925 301 HG13 VAL 48 3HG1 VAL 48 3.354 -6.339 4.163 302 HG21 VAL 48 3HG2 VAL 48 5.094 -4.934 2.990 303 HG22 VAL 48 1HG2 VAL 48 3.644 -4.079 3.520 304 HG23 VAL 48 2HG2 VAL 48 5.237 -3.378 3.807 305 H GLU 49 H GLU 49 2.381 -5.095 7.607 306 HA GLU 49 HA GLU 49 4.170 -6.402 9.515 307 HB2 GLU 49 1HB GLU 49 1.907 -4.568 10.322 308 HB3 GLU 49 2HB GLU 49 2.840 -5.572 11.422 309 HG2 GLU 49 1HG GLU 49 4.794 -4.306 11.088 310 HG3 GLU 49 2HG GLU 49 4.115 -3.488 9.682 311 H GLY 50 H GLY 50 3.574 -8.447 9.770 312 HA2 GLY 50 1HA GLY 50 0.736 -9.136 9.836 313 HA3 GLY 50 2HA GLY 50 1.703 -9.882 8.571 314 HA PRO 51 HA PRO 51 1.801 -12.700 12.227 315 HB2 PRO 51 1HB PRO 51 1.489 -14.968 10.768 316 HB3 PRO 51 2HB PRO 51 0.126 -13.994 11.332 317 HG2 PRO 51 1HG PRO 51 1.431 -14.048 8.637 318 HG3 PRO 51 2HG PRO 51 -0.295 -13.995 9.045 319 HD2 PRO 51 1HD PRO 51 1.092 -11.794 8.294 320 HD3 PRO 51 2HD PRO 51 -0.261 -11.725 9.441 321 H SER 52 H SER 52 3.603 -12.285 9.344 322 HA SER 52 HA SER 52 5.905 -13.593 10.588 323 HB2 SER 52 1HB SER 52 4.910 -15.243 9.027 324 HB3 SER 52 2HB SER 52 5.089 -14.081 7.712 325 HG SER 52 HG SER 52 7.115 -15.375 9.200 326 H LYS 53 H LYS 53 7.962 -12.986 9.529 327 HA LYS 53 HA LYS 53 8.059 -10.172 9.098 328 HB2 LYS 53 1HB LYS 53 9.863 -11.452 10.220 329 HB3 LYS 53 2HB LYS 53 10.232 -12.235 8.688 330 HG2 LYS 53 1HG LYS 53 10.982 -10.206 7.727 331 HG3 LYS 53 2HG LYS 53 10.338 -9.255 9.067 332 HD2 LYS 53 1HD LYS 53 12.545 -9.335 9.668 333 HD3 LYS 53 2HD LYS 53 11.961 -10.792 10.476 334 HE2 LYS 53 1HE LYS 53 12.581 -11.930 8.199 335 HE3 LYS 53 2HE LYS 53 13.618 -10.517 8.008 336 HZ1 LYS 53 3HZ LYS 53 15.094 -11.451 9.344 337 HZ2 LYS 53 1HZ LYS 53 14.114 -12.822 9.498 338 HZ3 LYS 53 2HZ LYS 53 13.959 -11.545 10.596 339 H ALA 54 H ALA 54 8.114 -9.029 7.256 340 HA ALA 54 HA ALA 54 8.252 -10.528 4.720 341 HB1 ALA 54 3HB ALA 54 6.522 -9.341 3.835 342 HB2 ALA 54 1HB ALA 54 6.045 -9.310 5.533 343 HB3 ALA 54 2HB ALA 54 6.851 -7.914 4.817 344 H GLU 55 H GLU 55 9.405 -9.632 3.013 345 HA GLU 55 HA GLU 55 11.506 -7.808 3.802 346 HB2 GLU 55 1HB GLU 55 11.637 -9.932 2.253 347 HB3 GLU 55 2HB GLU 55 11.166 -8.795 0.998 348 HG2 GLU 55 1HG GLU 55 13.142 -7.663 1.081 349 HG3 GLU 55 2HG GLU 55 13.428 -8.062 2.774 350 H ILE 56 H ILE 56 12.009 -5.849 2.735 351 HA ILE 56 HA ILE 56 9.925 -4.687 1.042 352 HB ILE 56 HB ILE 56 10.985 -3.296 3.504 353 HG12 ILE 56 1HG1 ILE 56 8.152 -4.194 2.971 354 HG13 ILE 56 2HG1 ILE 56 9.309 -5.181 3.858 355 HG21 ILE 56 1HG2 ILE 56 10.161 -2.137 1.191 356 HG22 ILE 56 2HG2 ILE 56 8.649 -2.218 2.095 357 HG23 ILE 56 3HG2 ILE 56 10.045 -1.388 2.783 358 HD11 ILE 56 3HD1 ILE 56 8.238 -4.133 5.574 359 HD12 ILE 56 1HD1 ILE 56 9.568 -3.008 5.301 360 HD13 ILE 56 2HD1 ILE 56 7.967 -2.655 4.652 361 H THR 57 H THR 57 10.711 -3.438 -0.552 362 HA THR 57 HA THR 57 13.482 -2.478 -0.348 363 HB THR 57 HB THR 57 12.332 -3.719 -2.852 364 HG1 THR 57 1HG THR 57 12.839 -5.154 -0.946 365 HG21 THR 57 3HG2 THR 57 14.531 -2.016 -2.428 366 HG22 THR 57 1HG2 THR 57 14.131 -2.913 -3.893 367 HG23 THR 57 2HG2 THR 57 15.198 -3.629 -2.685 368 H PHE 58 H PHE 58 13.112 -0.334 -0.205 369 HA PHE 58 HA PHE 58 11.185 0.912 -2.018 370 HB2 PHE 58 1HB PHE 58 11.311 1.410 0.502 371 HB3 PHE 58 2HB PHE 58 12.763 2.331 0.119 372 HD1 PHE 58 1HD PHE 58 9.127 2.105 -0.419 373 HD2 PHE 58 2HD PHE 58 12.635 4.468 -0.898 374 HE1 PHE 58 1HE PHE 58 7.734 4.051 -0.994 375 HE2 PHE 58 2HE PHE 58 11.248 6.417 -1.473 376 HZ PHE 58 HZ PHE 58 8.795 6.211 -1.520 377 H ASP 59 H ASP 59 12.156 1.048 -3.987 378 HA ASP 59 HA ASP 59 14.734 2.470 -4.112 379 HB2 ASP 59 1HB ASP 59 14.725 0.134 -5.011 380 HB3 ASP 59 2HB ASP 59 13.547 0.649 -6.214 381 H ASP 60 H ASP 60 14.508 4.526 -4.662 382 HA ASP 60 HA ASP 60 12.221 5.339 -6.300 383 HB2 ASP 60 1HB ASP 60 12.747 6.495 -4.111 384 HB3 ASP 60 2HB ASP 60 14.194 7.134 -4.884 385 H HIS 61 H HIS 61 12.693 5.055 -8.406 386 HA HIS 61 HA HIS 61 15.134 6.355 -9.420 387 HB2 HIS 61 1HB HIS 61 15.117 3.792 -9.474 388 HB3 HIS 61 2HB HIS 61 13.879 3.941 -10.718 389 HD1 HIS 61 1HD HIS 61 15.018 6.198 -12.412 390 HD2 HIS 61 2HD HIS 61 17.314 3.084 -10.898 391 HE1 HIS 61 1HE HIS 61 17.037 6.064 -13.905 392 H LYS 62 H LYS 62 11.966 5.099 -10.471 393 HA LYS 62 HA LYS 62 11.731 7.451 -12.233 394 HB2 LYS 62 1HB LYS 62 10.842 4.607 -12.573 395 HB3 LYS 62 2HB LYS 62 9.999 5.899 -13.418 396 HG2 LYS 62 1HG LYS 62 12.470 6.549 -14.116 397 HG3 LYS 62 2HG LYS 62 12.733 4.828 -13.823 398 HD2 LYS 62 1HD LYS 62 10.829 4.337 -15.346 399 HD3 LYS 62 2HD LYS 62 10.725 6.062 -15.708 400 HE2 LYS 62 1HE LYS 62 13.006 6.024 -16.575 401 HE3 LYS 62 2HE LYS 62 13.135 4.310 -16.184 402 HZ1 LYS 62 3HZ LYS 62 12.297 3.868 -18.169 403 HZ2 LYS 62 1HZ LYS 62 12.064 5.512 -18.495 404 HZ3 LYS 62 2HZ LYS 62 10.848 4.622 -17.727 405 H ASN 63 H ASN 63 9.237 7.731 -12.802 406 HA ASN 63 HA ASN 63 7.906 8.075 -10.213 407 HB2 ASN 63 1HB ASN 63 6.398 9.624 -11.528 408 HB3 ASN 63 2HB ASN 63 8.081 10.128 -11.417 409 HD21 ASN 63 1HD2 ASN 63 5.759 8.488 -13.497 410 HD22 ASN 63 2HD2 ASN 63 6.509 8.933 -14.988 411 H GLY 64 H GLY 64 8.015 5.519 -11.706 412 HA2 GLY 64 1HA GLY 64 5.198 4.894 -11.502 413 HA3 GLY 64 2HA GLY 64 5.847 4.760 -13.130 414 H SER 65 H SER 65 7.770 3.343 -13.389 415 HA SER 65 HA SER 65 7.254 0.814 -12.157 416 HB2 SER 65 1HB SER 65 9.579 1.600 -13.928 417 HB3 SER 65 2HB SER 65 9.017 -0.038 -13.590 418 HG SER 65 HG SER 65 8.182 1.650 -15.479 419 H CYS 66 H CYS 66 8.849 -0.481 -11.031 420 HA CYS 66 HA CYS 66 10.394 -0.870 -9.406 421 HB2 CYS 66 1HB CYS 66 11.847 0.471 -11.051 422 HB3 CYS 66 2HB CYS 66 11.602 1.831 -9.963 423 HG CYS 66 HG CYS 66 13.414 1.198 -8.254 424 H GLY 67 H GLY 67 7.950 0.109 -8.626 425 HA2 GLY 67 1HA GLY 67 8.254 2.334 -6.827 426 HA3 GLY 67 2HA GLY 67 6.838 1.306 -6.986 427 H VAL 68 H VAL 68 6.357 0.424 -5.095 428 HA VAL 68 HA VAL 68 8.543 -0.348 -3.290 429 HB VAL 68 HB VAL 68 5.608 -0.079 -2.634 430 HG11 VAL 68 1HG1 VAL 68 8.063 -0.421 -0.920 431 HG12 VAL 68 2HG1 VAL 68 6.467 -0.004 -0.296 432 HG13 VAL 68 3HG1 VAL 68 6.721 -1.550 -1.105 433 HG21 VAL 68 3HG2 VAL 68 7.539 1.951 -3.111 434 HG22 VAL 68 1HG2 VAL 68 5.875 2.124 -2.552 435 HG23 VAL 68 2HG2 VAL 68 7.181 1.926 -1.384 436 H SER 69 H SER 69 9.069 -2.419 -3.175 437 HA SER 69 HA SER 69 7.048 -4.429 -3.922 438 HB2 SER 69 1HB SER 69 8.895 -5.888 -4.565 439 HB3 SER 69 2HB SER 69 9.036 -4.343 -5.404 440 HG SER 69 HG SER 69 11.004 -4.478 -4.623 441 H TYR 70 H TYR 70 6.852 -6.315 -2.684 442 HA TYR 70 HA TYR 70 8.390 -6.601 -0.249 443 HB2 TYR 70 1HB TYR 70 6.607 -6.381 1.291 444 HB3 TYR 70 2HB TYR 70 6.488 -4.975 0.239 445 HD1 TYR 70 1HD TYR 70 5.040 -8.316 0.922 446 HD2 TYR 70 2HD TYR 70 4.541 -4.574 -1.040 447 HE1 TYR 70 1HE TYR 70 2.703 -8.898 0.421 448 HE2 TYR 70 2HE TYR 70 2.203 -5.145 -1.545 449 HH TYR 70 HH TYR 70 0.538 -6.592 -1.167 450 H ILE 71 H ILE 71 8.308 -8.664 0.615 451 HA ILE 71 HA ILE 71 6.631 -10.615 -0.818 452 HB ILE 71 HB ILE 71 9.566 -10.816 -0.180 453 HG12 ILE 71 1HG1 ILE 71 8.117 -11.486 -2.738 454 HG13 ILE 71 2HG1 ILE 71 8.677 -9.857 -2.380 455 HG21 ILE 71 1HG2 ILE 71 7.543 -12.972 -0.468 456 HG22 ILE 71 2HG2 ILE 71 9.130 -13.217 -1.195 457 HG23 ILE 71 3HG2 ILE 71 8.992 -12.905 0.535 458 HD11 ILE 71 3HD1 ILE 71 10.681 -10.372 -3.140 459 HD12 ILE 71 1HD1 ILE 71 10.827 -11.656 -1.940 460 HD13 ILE 71 2HD1 ILE 71 10.114 -11.999 -3.517 461 H ALA 72 H ALA 72 5.621 -12.098 0.416 462 HA ALA 72 HA ALA 72 6.198 -12.058 3.305 463 HB1 ALA 72 3HB ALA 72 3.690 -12.074 1.768 464 HB2 ALA 72 1HB ALA 72 3.725 -13.140 3.173 465 HB3 ALA 72 2HB ALA 72 4.041 -11.414 3.365 466 H GLN 73 H GLN 73 7.595 -13.729 3.575 467 HA GLN 73 HA GLN 73 7.849 -16.074 2.232 468 HB2 GLN 73 1HB GLN 73 8.131 -15.591 5.199 469 HB3 GLN 73 2HB GLN 73 8.650 -17.072 4.406 470 HG2 GLN 73 1HG GLN 73 9.655 -14.359 3.604 471 HG3 GLN 73 2HG GLN 73 10.432 -15.347 4.840 472 HE21 GLN 73 1HE2 GLN 73 9.887 -14.880 1.478 473 HE22 GLN 73 2HE2 GLN 73 10.937 -16.128 0.909 474 H GLU 74 H GLU 74 5.790 -15.646 5.115 475 HA GLU 74 HA GLU 74 4.349 -18.093 4.359 476 HB2 GLU 74 1HB GLU 74 4.304 -16.605 6.990 477 HB3 GLU 74 2HB GLU 74 3.540 -18.152 6.656 478 HG2 GLU 74 1HG GLU 74 6.504 -17.679 6.487 479 HG3 GLU 74 2HG GLU 74 5.680 -18.288 7.922 480 HA PRO 75 HA PRO 75 0.819 -15.778 3.121 481 HB2 PRO 75 1HB PRO 75 -1.097 -17.661 3.503 482 HB3 PRO 75 2HB PRO 75 0.061 -17.726 2.169 483 HG2 PRO 75 1HG PRO 75 0.105 -19.176 4.788 484 HG3 PRO 75 2HG PRO 75 0.473 -19.787 3.164 485 HD2 PRO 75 1HD PRO 75 2.403 -19.095 4.934 486 HD3 PRO 75 2HD PRO 75 2.603 -18.905 3.180 487 H GLY 76 H GLY 76 -0.919 -14.628 3.959 488 HA2 GLY 76 1HA GLY 76 -2.420 -15.038 6.189 489 HA3 GLY 76 2HA GLY 76 -0.938 -14.340 6.827 490 H ASN 77 H ASN 77 -2.928 -12.851 7.437 491 HA ASN 77 HA ASN 77 -3.564 -10.947 5.339 492 HB2 ASN 77 1HB ASN 77 -5.032 -9.911 6.993 493 HB3 ASN 77 2HB ASN 77 -5.310 -11.649 6.937 494 HD21 ASN 77 1HD2 ASN 77 -5.858 -9.724 9.058 495 HD22 ASN 77 2HD2 ASN 77 -5.009 -10.295 10.451 496 H TYR 78 H TYR 78 -1.762 -9.775 4.862 497 HA TYR 78 HA TYR 78 -0.182 -8.599 7.001 498 HB2 TYR 78 1HB TYR 78 0.101 -8.669 4.002 499 HB3 TYR 78 2HB TYR 78 1.125 -7.651 5.008 500 HD1 TYR 78 2HD TYR 78 0.107 -11.178 4.441 501 HD2 TYR 78 1HD TYR 78 3.023 -8.538 6.064 502 HE1 TYR 78 2HE TYR 78 1.609 -13.086 4.832 503 HE2 TYR 78 1HE TYR 78 4.533 -10.439 6.458 504 HH TYR 78 HH TYR 78 3.525 -13.764 5.750 505 H GLU 79 H GLU 79 -0.606 -6.671 7.828 506 HA GLU 79 HA GLU 79 -2.404 -4.866 6.386 507 HB2 GLU 79 1HB GLU 79 -2.579 -5.637 8.916 508 HB3 GLU 79 2HB GLU 79 -1.460 -4.304 9.159 509 HG2 GLU 79 1HG GLU 79 -3.198 -2.962 7.753 510 HG3 GLU 79 2HG GLU 79 -4.292 -4.255 8.242 511 H VAL 80 H VAL 80 -1.137 -3.802 4.926 512 HA VAL 80 HA VAL 80 1.417 -2.690 5.669 513 HB VAL 80 HB VAL 80 -0.152 -2.112 3.158 514 HG11 VAL 80 1HG1 VAL 80 2.688 -1.746 4.021 515 HG12 VAL 80 2HG1 VAL 80 2.299 -1.957 2.313 516 HG13 VAL 80 3HG1 VAL 80 1.606 -0.609 3.215 517 HG21 VAL 80 3HG2 VAL 80 1.726 -3.976 2.460 518 HG22 VAL 80 1HG2 VAL 80 1.180 -4.562 4.032 519 HG23 VAL 80 2HG2 VAL 80 0.015 -4.306 2.734 520 H SER 81 H SER 81 1.539 -0.927 6.886 521 HA SER 81 HA SER 81 -0.618 1.019 6.898 522 HB2 SER 81 1HB SER 81 1.869 0.648 8.560 523 HB3 SER 81 2HB SER 81 0.889 2.110 8.676 524 HG SER 81 HG SER 81 0.378 0.333 10.176 525 H ILE 82 H ILE 82 -0.632 2.784 5.686 526 HA ILE 82 HA ILE 82 1.918 3.723 4.546 527 HB ILE 82 HB ILE 82 -0.861 4.090 3.422 528 HG12 ILE 82 1HG1 ILE 82 1.407 2.274 2.581 529 HG13 ILE 82 2HG1 ILE 82 -0.155 1.774 3.223 530 HG21 ILE 82 1HG2 ILE 82 1.623 5.432 2.914 531 HG22 ILE 82 2HG2 ILE 82 1.105 4.554 1.476 532 HG23 ILE 82 3HG2 ILE 82 0.028 5.734 2.223 533 HD11 ILE 82 3HD1 ILE 82 -0.928 1.659 1.161 534 HD12 ILE 82 1HD1 ILE 82 -0.672 3.394 0.980 535 HD13 ILE 82 2HD1 ILE 82 0.602 2.262 0.527 536 H LYS 83 H LYS 83 2.445 5.870 4.650 537 HA LYS 83 HA LYS 83 0.547 7.708 5.916 538 HB2 LYS 83 1HB LYS 83 3.215 6.883 6.961 539 HB3 LYS 83 2HB LYS 83 2.731 8.562 7.161 540 HG2 LYS 83 1HG LYS 83 0.523 7.454 8.085 541 HG3 LYS 83 2HG LYS 83 1.616 6.102 8.393 542 HD2 LYS 83 1HD LYS 83 2.325 8.886 9.251 543 HD3 LYS 83 2HD LYS 83 1.276 7.871 10.243 544 HE2 LYS 83 1HE LYS 83 3.358 7.402 11.122 545 HE3 LYS 83 2HE LYS 83 3.162 6.103 9.947 546 HZ1 LYS 83 3HZ LYS 83 5.210 7.977 10.085 547 HZ2 LYS 83 1HZ LYS 83 4.327 8.333 8.686 548 HZ3 LYS 83 2HZ LYS 83 4.974 6.787 8.906 549 H PHE 84 H PHE 84 0.411 9.533 4.799 550 HA PHE 84 HA PHE 84 2.611 10.226 2.976 551 HB2 PHE 84 1HB PHE 84 0.463 9.850 1.872 552 HB3 PHE 84 2HB PHE 84 -0.300 11.046 2.914 553 HD1 PHE 84 2HD PHE 84 1.967 10.527 0.088 554 HD2 PHE 84 1HD PHE 84 0.005 13.399 2.539 555 HE1 PHE 84 2HE PHE 84 2.515 12.287 -1.542 556 HE2 PHE 84 1HE PHE 84 0.548 15.164 0.914 557 HZ PHE 84 HZ PHE 84 1.806 14.609 -1.130 558 H ASN 85 H ASN 85 3.932 11.725 3.752 559 HA ASN 85 HA ASN 85 4.720 13.618 4.734 560 HB2 ASN 85 1HB ASN 85 1.923 14.406 4.008 561 HB3 ASN 85 2HB ASN 85 2.899 15.497 4.987 562 HD21 ASN 85 1HD2 ASN 85 2.596 16.910 3.119 563 HD22 ASN 85 2HD2 ASN 85 3.692 16.772 1.790 564 H ASP 86 H ASP 86 3.794 11.470 6.391 565 HA ASP 86 HA ASP 86 3.669 11.061 8.634 566 HB2 ASP 86 1HB ASP 86 3.402 14.016 9.147 567 HB3 ASP 86 2HB ASP 86 4.056 12.774 10.212 568 H GLU 87 H GLU 87 1.383 11.129 6.930 569 HA GLU 87 HA GLU 87 -0.681 11.592 8.960 570 HB2 GLU 87 1HB GLU 87 -0.538 12.781 6.234 571 HB3 GLU 87 2HB GLU 87 -2.114 12.262 6.816 572 HG2 GLU 87 1HG GLU 87 -1.686 13.657 8.868 573 HG3 GLU 87 2HG GLU 87 -0.287 14.317 8.023 574 H HIS 88 H HIS 88 -2.277 10.078 9.019 575 HA HIS 88 HA HIS 88 -1.863 7.705 7.387 576 HB2 HIS 88 1HB HIS 88 -3.198 8.312 9.963 577 HB3 HIS 88 2HB HIS 88 -3.905 7.013 9.006 578 HD2 HIS 88 2HD HIS 88 -0.603 7.790 10.956 579 HE1 HIS 88 1HE HIS 88 -0.649 3.674 9.927 580 HE2 HIS 88 2HE HIS 88 0.489 5.467 11.281 581 H ILE 89 H ILE 89 -2.652 8.403 5.378 582 HA ILE 89 HA ILE 89 -4.889 9.734 4.686 583 HB ILE 89 HB ILE 89 -5.104 8.104 2.721 584 HG12 ILE 89 1HG1 ILE 89 -2.745 6.933 4.192 585 HG13 ILE 89 2HG1 ILE 89 -4.191 6.104 3.625 586 HG21 ILE 89 1HG2 ILE 89 -3.860 10.227 2.661 587 HG22 ILE 89 2HG2 ILE 89 -2.420 9.381 3.226 588 HG23 ILE 89 3HG2 ILE 89 -3.115 8.985 1.655 589 HD11 ILE 89 3HD1 ILE 89 -2.582 5.449 2.109 590 HD12 ILE 89 1HD1 ILE 89 -3.376 6.784 1.275 591 HD13 ILE 89 2HD1 ILE 89 -1.822 7.040 2.071 592 HA PRO 90 HA PRO 90 -8.497 7.618 6.015 593 HB2 PRO 90 1HB PRO 90 -10.205 8.112 3.963 594 HB3 PRO 90 2HB PRO 90 -9.709 9.353 5.119 595 HG2 PRO 90 1HG PRO 90 -8.684 8.816 2.358 596 HG3 PRO 90 2HG PRO 90 -9.060 10.368 3.130 597 HD2 PRO 90 1HD PRO 90 -6.530 9.427 2.907 598 HD3 PRO 90 2HD PRO 90 -7.061 10.426 4.275 599 H GLU 91 H GLU 91 -6.590 6.437 3.625 600 HA GLU 91 HA GLU 91 -8.383 4.165 3.076 601 HB2 GLU 91 1HB GLU 91 -6.233 5.462 1.434 602 HB3 GLU 91 2HB GLU 91 -6.669 3.782 1.153 603 HG2 GLU 91 1HG GLU 91 -9.104 4.784 1.067 604 HG3 GLU 91 2HG GLU 91 -8.228 6.258 0.655 605 H SER 92 H SER 92 -5.618 5.144 4.721 606 HA SER 92 HA SER 92 -4.586 2.388 4.848 607 HB2 SER 92 1HB SER 92 -2.450 3.200 5.118 608 HB3 SER 92 2HB SER 92 -3.138 4.510 4.157 609 HG SER 92 HG SER 92 -2.442 4.447 6.854 610 HA PRO 93 HA PRO 93 -2.783 1.628 6.241 611 HB2 PRO 93 1HB PRO 93 -3.077 -0.701 7.606 612 HB3 PRO 93 2HB PRO 93 -2.166 0.675 8.239 613 HG2 PRO 93 1HG PRO 93 -4.969 -0.181 8.846 614 HG3 PRO 93 2HG PRO 93 -3.708 0.385 9.956 615 HD2 PRO 93 1HD PRO 93 -5.709 1.988 9.087 616 HD3 PRO 93 2HD PRO 93 -4.085 2.603 9.454 617 H TYR 94 H TYR 94 -2.791 -0.657 5.238 618 HA TYR 94 HA TYR 94 -5.459 -1.186 4.101 619 HB2 TYR 94 1HB TYR 94 -2.777 -1.462 2.728 620 HB3 TYR 94 2HB TYR 94 -4.341 -1.836 2.013 621 HD1 TYR 94 2HD TYR 94 -2.346 0.951 3.452 622 HD2 TYR 94 1HD TYR 94 -5.575 -0.173 0.920 623 HE1 TYR 94 2HE TYR 94 -2.540 3.278 2.679 624 HE2 TYR 94 1HE TYR 94 -5.778 2.151 0.138 625 HH TYR 94 HH TYR 94 -4.217 4.178 -0.032 626 H LEU 95 H LEU 95 -6.031 -3.333 3.700 627 HA LEU 95 HA LEU 95 -4.359 -5.322 5.087 628 HB2 LEU 95 1HB LEU 95 -6.649 -4.749 6.025 629 HB3 LEU 95 2HB LEU 95 -7.318 -5.538 4.598 630 HG LEU 95 HG LEU 95 -6.152 -7.631 5.295 631 HD11 LEU 95 1HD1 LEU 95 -5.276 -7.826 7.526 632 HD12 LEU 95 2HD1 LEU 95 -5.677 -6.145 7.873 633 HD13 LEU 95 3HD1 LEU 95 -4.429 -6.526 6.687 634 HD21 LEU 95 3HD2 LEU 95 -7.711 -7.345 7.646 635 HD22 LEU 95 1HD2 LEU 95 -8.144 -8.133 6.129 636 HD23 LEU 95 2HD2 LEU 95 -8.490 -6.419 6.362 637 H VAL 96 H VAL 96 -3.302 -6.558 3.688 638 HA VAL 96 HA VAL 96 -4.652 -7.329 1.185 639 HB VAL 96 HB VAL 96 -1.683 -7.505 1.618 640 HG11 VAL 96 1HG1 VAL 96 -3.221 -8.480 -0.364 641 HG12 VAL 96 2HG1 VAL 96 -2.874 -6.873 -1.006 642 HG13 VAL 96 3HG1 VAL 96 -1.550 -7.962 -0.590 643 HG21 VAL 96 3HG2 VAL 96 -1.967 -5.259 0.121 644 HG22 VAL 96 1HG2 VAL 96 -3.322 -5.099 1.238 645 HG23 VAL 96 2HG2 VAL 96 -1.681 -5.269 1.861 646 HA PRO 97 HA PRO 97 -4.660 -11.314 3.308 647 HB2 PRO 97 1HB PRO 97 -6.431 -12.462 1.601 648 HB3 PRO 97 2HB PRO 97 -6.924 -11.395 2.921 649 HG2 PRO 97 1HG PRO 97 -6.581 -10.775 0.013 650 HG3 PRO 97 2HG PRO 97 -7.873 -10.274 1.119 651 HD2 PRO 97 1HD PRO 97 -5.828 -8.637 0.432 652 HD3 PRO 97 2HD PRO 97 -6.610 -8.572 2.024 653 H VAL 98 H VAL 98 -2.571 -11.983 2.802 654 HA VAL 98 HA VAL 98 -1.955 -12.852 0.100 655 HB VAL 98 HB VAL 98 -0.280 -12.922 2.614 656 HG11 VAL 98 1HG1 VAL 98 0.136 -14.008 -0.084 657 HG12 VAL 98 2HG1 VAL 98 1.475 -13.052 0.553 658 HG13 VAL 98 3HG1 VAL 98 0.886 -14.453 1.448 659 HG21 VAL 98 3HG2 VAL 98 -0.542 -10.668 2.073 660 HG22 VAL 98 1HG2 VAL 98 0.973 -11.111 1.284 661 HG23 VAL 98 2HG2 VAL 98 -0.510 -10.983 0.338 662 H ILE 99 H ILE 99 -2.043 -14.887 -0.613 663 HA ILE 99 HA ILE 99 -2.370 -17.043 1.370 664 HB ILE 99 HB ILE 99 -3.842 -18.213 -0.189 665 HG12 ILE 99 1HG1 ILE 99 -4.118 -15.764 -1.877 666 HG13 ILE 99 2HG1 ILE 99 -2.752 -16.834 -2.174 667 HG21 ILE 99 1HG2 ILE 99 -4.613 -16.407 1.510 668 HG22 ILE 99 2HG2 ILE 99 -5.001 -15.469 0.068 669 HG23 ILE 99 3HG2 ILE 99 -5.764 -17.037 0.331 670 HD11 ILE 99 3HD1 ILE 99 -5.253 -18.279 -1.945 671 HD12 ILE 99 1HD1 ILE 99 -5.281 -17.072 -3.230 672 HD13 ILE 99 2HD1 ILE 99 -4.032 -18.318 -3.215 673 H ALA 100 H ALA 100 -1.692 -19.176 0.635 674 HA ALA 100 HA ALA 100 0.805 -19.024 -0.807 675 HB1 ALA 100 3HB ALA 100 1.360 -20.838 0.362 676 HB2 ALA 100 1HB ALA 100 -0.153 -20.609 1.241 677 HB3 ALA 100 2HB ALA 100 -0.091 -21.705 -0.141 678 HA PRO 101 HA PRO 101 -1.211 -19.989 -4.684 679 HB2 PRO 101 1HB PRO 101 1.050 -19.850 -6.182 680 HB3 PRO 101 2HB PRO 101 0.175 -18.417 -5.628 681 HG2 PRO 101 1HG PRO 101 2.627 -19.699 -4.485 682 HG3 PRO 101 2HG PRO 101 2.277 -17.979 -4.735 683 HD2 PRO 101 1HD PRO 101 2.038 -19.177 -2.319 684 HD3 PRO 101 2HD PRO 101 0.996 -17.832 -2.824 685 H SER 102 H SER 102 -1.779 -22.022 -5.107 686 HA SER 102 HA SER 102 -0.047 -24.242 -4.532 687 HB2 SER 102 1HB SER 102 -1.927 -25.621 -5.357 688 HB3 SER 102 2HB SER 102 -2.456 -24.437 -4.161 689 HG SER 102 HG SER 102 -2.799 -23.132 -6.273 690 H ASP 103 H ASP 103 1.719 -24.140 -5.881 691 HA ASP 103 HA ASP 103 1.340 -23.955 -8.754 692 HB2 ASP 103 1HB ASP 103 3.858 -24.315 -7.114 693 HB3 ASP 103 2HB ASP 103 3.806 -24.036 -8.852 694 H ASP 104 H ASP 104 2.789 -25.552 -10.065 695 HA ASP 104 HA ASP 104 2.135 -28.269 -9.134 696 HB2 ASP 104 1HB ASP 104 2.242 -28.827 -11.628 697 HB3 ASP 104 2HB ASP 104 0.868 -27.867 -11.087 698 H ALA 105 H ALA 105 3.946 -29.062 -8.239 699 HA ALA 105 HA ALA 105 6.575 -28.390 -8.970 700 HB1 ALA 105 3HB ALA 105 7.136 -30.557 -7.723 701 HB2 ALA 105 1HB ALA 105 6.312 -29.280 -6.826 702 HB3 ALA 105 2HB ALA 105 5.403 -30.673 -7.414
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