NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18193 | 2dj1 | 11101 | 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 -14.416 -19.365 -16.120 2 HA2 GLY 1 1HA GLY 1 -12.071 -19.173 -15.908 3 HA3 GLY 1 2HA GLY 1 -11.984 -20.894 -15.562 4 H SER 2 H SER 2 -10.577 -19.101 -17.534 5 HA SER 2 HA SER 2 -9.675 -19.352 -19.611 6 HB2 SER 2 1HB SER 2 -10.003 -21.874 -18.883 7 HB3 SER 2 2HB SER 2 -11.239 -21.846 -20.140 8 HG SER 2 HG SER 2 -9.355 -20.786 -21.378 9 H SER 3 H SER 3 -11.928 -17.761 -19.308 10 HA SER 3 HA SER 3 -13.792 -18.353 -21.437 11 HB2 SER 3 1HB SER 3 -14.806 -16.165 -20.809 12 HB3 SER 3 2HB SER 3 -14.646 -17.267 -19.441 13 HG SER 3 HG SER 3 -13.591 -14.815 -19.775 14 H GLY 4 H GLY 4 -11.320 -15.878 -20.784 15 HA2 GLY 4 1HA GLY 4 -9.932 -14.790 -22.286 16 HA3 GLY 4 2HA GLY 4 -10.673 -15.713 -23.585 17 H SER 5 H SER 5 -11.609 -13.181 -21.252 18 HA SER 5 HA SER 5 -13.246 -11.949 -23.349 19 HB2 SER 5 1HB SER 5 -14.381 -12.384 -21.223 20 HB3 SER 5 2HB SER 5 -13.169 -11.433 -20.366 21 HG SER 5 HG SER 5 -14.510 -10.212 -22.484 22 H SER 6 H SER 6 -11.517 -11.021 -24.522 23 HA SER 6 HA SER 6 -10.394 -8.625 -23.234 24 HB2 SER 6 1HB SER 6 -8.986 -10.764 -24.778 25 HB3 SER 6 2HB SER 6 -8.413 -9.102 -24.919 26 HG SER 6 HG SER 6 -7.359 -10.179 -23.222 27 H GLY 7 H GLY 7 -10.687 -6.783 -24.331 28 HA2 GLY 7 1HA GLY 7 -10.634 -6.456 -27.099 29 HA3 GLY 7 2HA GLY 7 -12.311 -6.720 -26.646 30 H ASP 8 H ASP 8 -12.817 -5.357 -24.499 31 HA ASP 8 HA ASP 8 -12.862 -2.671 -25.310 32 HB2 ASP 8 1HB ASP 8 -14.321 -4.025 -23.565 33 HB3 ASP 8 2HB ASP 8 -13.158 -3.363 -22.419 34 H ASP 9 H ASP 9 -10.397 -4.474 -23.859 35 HA ASP 9 HA ASP 9 -8.390 -3.957 -22.914 36 HB2 ASP 9 1HB ASP 9 -8.193 -2.836 -25.145 37 HB3 ASP 9 2HB ASP 9 -8.726 -1.338 -24.387 38 H ASP 10 H ASP 10 -10.391 -3.603 -21.135 39 HA ASP 10 HA ASP 10 -10.047 -0.981 -19.897 40 HB2 ASP 10 1HB ASP 10 -11.924 -3.283 -19.397 41 HB3 ASP 10 2HB ASP 10 -11.770 -1.951 -18.254 42 H LEU 11 H LEU 11 -9.787 -4.411 -18.965 43 HA LEU 11 HA LEU 11 -8.650 -3.988 -16.444 44 HB2 LEU 11 1HB LEU 11 -8.187 -6.328 -18.286 45 HB3 LEU 11 2HB LEU 11 -7.949 -6.305 -16.540 46 HG LEU 11 HG LEU 11 -10.651 -5.818 -17.752 47 HD11 LEU 11 1HD1 LEU 11 -9.134 -8.303 -17.705 48 HD12 LEU 11 2HD1 LEU 11 -10.620 -7.896 -18.562 49 HD13 LEU 11 3HD1 LEU 11 -10.688 -8.419 -16.879 50 HD21 LEU 11 1HD2 LEU 11 -10.128 -7.172 -15.156 51 HD22 LEU 11 2HD2 LEU 11 -11.466 -6.128 -15.638 52 HD23 LEU 11 3HD2 LEU 11 -9.892 -5.427 -15.259 53 H GLU 12 H GLU 12 -7.056 -2.399 -16.572 54 HA GLU 12 HA GLU 12 -4.473 -3.384 -17.520 55 HB2 GLU 12 1HB GLU 12 -3.925 -1.390 -18.703 56 HB3 GLU 12 2HB GLU 12 -5.493 -1.919 -19.295 57 HG2 GLU 12 1HG GLU 12 -6.604 -0.261 -17.926 58 HG3 GLU 12 2HG GLU 12 -5.057 0.238 -17.242 59 H VAL 13 H VAL 13 -2.699 -1.750 -16.806 60 HA VAL 13 HA VAL 13 -3.291 -0.250 -14.417 61 HB VAL 13 HB VAL 13 -1.554 -2.713 -14.206 62 HG11 VAL 13 1HG1 VAL 13 -2.012 -0.370 -12.424 63 HG12 VAL 13 2HG1 VAL 13 -1.755 -1.958 -11.697 64 HG13 VAL 13 3HG1 VAL 13 -0.527 -1.262 -12.756 65 HG21 VAL 13 1HG2 VAL 13 -3.889 -3.317 -14.203 66 HG22 VAL 13 2HG2 VAL 13 -3.252 -3.461 -12.565 67 HG23 VAL 13 3HG2 VAL 13 -4.246 -2.073 -13.006 68 H LYS 14 H LYS 14 -1.879 1.376 -14.174 69 HA LYS 14 HA LYS 14 0.480 1.392 -15.920 70 HB2 LYS 14 1HB LYS 14 -0.860 3.703 -14.504 71 HB3 LYS 14 2HB LYS 14 0.449 3.819 -15.672 72 HG2 LYS 14 1HG LYS 14 -1.009 2.934 -17.411 73 HG3 LYS 14 2HG LYS 14 -2.322 2.786 -16.241 74 HD2 LYS 14 1HD LYS 14 -2.779 4.800 -17.322 75 HD3 LYS 14 2HD LYS 14 -1.962 5.305 -15.841 76 HE2 LYS 14 1HE LYS 14 -1.033 6.567 -17.634 77 HE3 LYS 14 2HE LYS 14 0.172 5.376 -17.149 78 HZ1 LYS 14 1HZ LYS 14 0.155 5.286 -19.460 79 HZ2 LYS 14 2HZ LYS 14 -1.530 5.388 -19.564 80 HZ3 LYS 14 3HZ LYS 14 -0.801 3.964 -19.012 81 H GLU 15 H GLU 15 2.172 3.098 -14.853 82 HA GLU 15 HA GLU 15 2.556 2.665 -12.028 83 HB2 GLU 15 1HB GLU 15 4.679 1.506 -12.206 84 HB3 GLU 15 2HB GLU 15 3.421 0.564 -12.993 85 HG2 GLU 15 1HG GLU 15 5.429 0.518 -14.315 86 HG3 GLU 15 2HG GLU 15 4.171 1.406 -15.172 87 H GLU 16 H GLU 16 4.745 3.623 -11.342 88 HA GLU 16 HA GLU 16 5.680 5.737 -13.118 89 HB2 GLU 16 1HB GLU 16 4.213 6.177 -10.549 90 HB3 GLU 16 2HB GLU 16 5.498 7.289 -10.999 91 HG2 GLU 16 1HG GLU 16 3.247 6.632 -12.865 92 HG3 GLU 16 2HG GLU 16 3.120 7.906 -11.653 93 H ASN 17 H ASN 17 7.776 5.215 -13.185 94 HA ASN 17 HA ASN 17 9.911 4.768 -12.539 95 HB2 ASN 17 1HB ASN 17 9.150 6.039 -9.906 96 HB3 ASN 17 2HB ASN 17 10.753 5.946 -10.628 97 HD21 ASN 17 1HD2 ASN 17 9.610 8.323 -9.769 98 HD22 ASN 17 2HD2 ASN 17 9.318 9.329 -11.142 99 H GLY 18 H GLY 18 7.794 2.803 -11.971 100 HA2 GLY 18 1HA GLY 18 8.305 0.571 -11.236 101 HA3 GLY 18 2HA GLY 18 9.272 1.263 -9.942 102 H VAL 19 H VAL 19 6.677 3.177 -9.962 103 HA VAL 19 HA VAL 19 5.368 1.620 -7.854 104 HB VAL 19 HB VAL 19 5.149 4.550 -8.556 105 HG11 VAL 19 1HG1 VAL 19 4.095 4.266 -6.053 106 HG12 VAL 19 2HG1 VAL 19 3.156 4.410 -7.540 107 HG13 VAL 19 3HG1 VAL 19 3.505 2.817 -6.867 108 HG21 VAL 19 1HG2 VAL 19 7.274 3.624 -7.464 109 HG22 VAL 19 2HG2 VAL 19 6.485 4.997 -6.687 110 HG23 VAL 19 3HG2 VAL 19 6.272 3.372 -6.034 111 H TRP 20 H TRP 20 3.873 0.304 -8.733 112 HA TRP 20 HA TRP 20 2.333 0.938 -11.029 113 HB2 TRP 20 1HB TRP 20 1.813 -1.148 -8.898 114 HB3 TRP 20 2HB TRP 20 1.060 -1.090 -10.489 115 HD1 TRP 20 HD TRP 20 4.203 -2.208 -8.717 116 HE1 TRP 20 1HE TRP 20 5.733 -3.432 -10.387 117 HE3 TRP 20 3HE TRP 20 1.732 -1.091 -13.051 118 HZ2 TRP 20 2HZ TRP 20 5.874 -3.865 -13.173 119 HZ3 TRP 20 3HZ TRP 20 2.630 -1.948 -15.175 120 HH2 TRP 20 HH TRP 20 4.659 -3.306 -15.233 121 H VAL 21 H VAL 21 0.085 1.361 -11.179 122 HA VAL 21 HA VAL 21 -1.029 2.680 -8.789 123 HB VAL 21 HB VAL 21 -1.573 3.329 -11.690 124 HG11 VAL 21 1HG1 VAL 21 -3.132 3.806 -9.400 125 HG12 VAL 21 2HG1 VAL 21 -2.387 5.348 -9.828 126 HG13 VAL 21 3HG1 VAL 21 -3.353 4.473 -11.018 127 HG21 VAL 21 1HG2 VAL 21 0.149 4.629 -9.602 128 HG22 VAL 21 2HG2 VAL 21 0.584 4.135 -11.238 129 HG23 VAL 21 3HG2 VAL 21 -0.470 5.526 -10.988 130 H LEU 22 H LEU 22 -2.454 1.320 -7.900 131 HA LEU 22 HA LEU 22 -4.209 -0.256 -9.640 132 HB2 LEU 22 1HB LEU 22 -3.633 -0.451 -6.689 133 HB3 LEU 22 2HB LEU 22 -4.784 -1.471 -7.550 134 HG LEU 22 HG LEU 22 -1.798 -1.391 -7.978 135 HD11 LEU 22 1HD1 LEU 22 -2.356 -2.501 -5.922 136 HD12 LEU 22 2HD1 LEU 22 -1.919 -3.713 -7.126 137 HD13 LEU 22 3HD1 LEU 22 -3.614 -3.443 -6.724 138 HD21 LEU 22 1HD2 LEU 22 -3.922 -3.079 -9.296 139 HD22 LEU 22 2HD2 LEU 22 -2.181 -3.283 -9.490 140 HD23 LEU 22 3HD2 LEU 22 -2.967 -1.813 -10.068 141 H ASN 23 H ASN 23 -6.491 -0.413 -9.111 142 HA ASN 23 HA ASN 23 -7.615 1.725 -7.489 143 HB2 ASN 23 1HB ASN 23 -9.212 2.137 -9.568 144 HB3 ASN 23 2HB ASN 23 -7.692 3.010 -9.392 145 HD21 ASN 23 1HD2 ASN 23 -9.276 0.326 -10.990 146 HD22 ASN 23 2HD2 ASN 23 -8.177 0.224 -12.320 147 H ASP 24 H ASP 24 -9.961 1.497 -7.204 148 HA ASP 24 HA ASP 24 -10.751 -0.995 -6.396 149 HB2 ASP 24 1HB ASP 24 -12.002 0.930 -5.709 150 HB3 ASP 24 2HB ASP 24 -12.436 1.313 -7.373 151 H GLY 25 H GLY 25 -10.529 0.171 -9.608 152 HA2 GLY 25 1HA GLY 25 -12.371 -1.791 -10.704 153 HA3 GLY 25 2HA GLY 25 -11.423 -0.625 -11.615 154 H ASN 26 H ASN 26 -8.896 -1.335 -10.401 155 HA ASN 26 HA ASN 26 -8.508 -3.978 -11.646 156 HB2 ASN 26 1HB ASN 26 -6.359 -3.286 -12.408 157 HB3 ASN 26 2HB ASN 26 -7.474 -1.988 -12.825 158 HD21 ASN 26 1HD2 ASN 26 -6.199 -0.250 -12.780 159 HD22 ASN 26 2HD2 ASN 26 -5.281 0.270 -11.412 160 H PHE 27 H PHE 27 -8.955 -2.918 -8.761 161 HA PHE 27 HA PHE 27 -6.654 -3.369 -7.246 162 HB2 PHE 27 1HB PHE 27 -8.892 -2.391 -6.488 163 HB3 PHE 27 2HB PHE 27 -9.437 -4.056 -6.312 164 HD1 PHE 27 1HD PHE 27 -6.882 -1.635 -5.160 165 HD2 PHE 27 2HD PHE 27 -8.926 -5.289 -4.393 166 HE1 PHE 27 1HE PHE 27 -5.890 -1.714 -2.909 167 HE2 PHE 27 2HE PHE 27 -7.939 -5.373 -2.141 168 HZ PHE 27 HZ PHE 27 -6.419 -3.584 -1.396 169 H ASP 28 H ASP 28 -9.407 -5.624 -7.389 170 HA ASP 28 HA ASP 28 -7.925 -7.835 -6.476 171 HB2 ASP 28 1HB ASP 28 -10.585 -7.533 -7.839 172 HB3 ASP 28 2HB ASP 28 -9.917 -9.133 -7.529 173 H ASN 29 H ASN 29 -8.892 -6.845 -9.744 174 HA ASN 29 HA ASN 29 -8.056 -8.974 -11.236 175 HB2 ASN 29 1HB ASN 29 -9.070 -7.244 -12.440 176 HB3 ASN 29 2HB ASN 29 -7.995 -6.019 -11.772 177 HD21 ASN 29 1HD2 ASN 29 -8.490 -8.338 -14.245 178 HD22 ASN 29 2HD2 ASN 29 -7.054 -8.010 -15.149 179 H PHE 30 H PHE 30 -6.082 -6.625 -9.583 180 HA PHE 30 HA PHE 30 -3.642 -7.515 -10.872 181 HB2 PHE 30 1HB PHE 30 -4.011 -5.127 -10.218 182 HB3 PHE 30 2HB PHE 30 -3.963 -5.629 -8.531 183 HD1 PHE 30 1HD PHE 30 -1.971 -5.485 -11.646 184 HD2 PHE 30 2HD PHE 30 -1.925 -5.900 -7.410 185 HE1 PHE 30 1HE PHE 30 0.478 -5.250 -11.653 186 HE2 PHE 30 2HE PHE 30 0.524 -5.665 -7.410 187 HZ PHE 30 HZ PHE 30 1.729 -5.339 -9.533 188 H VAL 31 H VAL 31 -4.793 -7.364 -7.497 189 HA VAL 31 HA VAL 31 -2.773 -9.113 -6.525 190 HB VAL 31 HB VAL 31 -3.844 -9.009 -4.424 191 HG11 VAL 31 1HG1 VAL 31 -3.028 -6.908 -4.533 192 HG12 VAL 31 2HG1 VAL 31 -3.849 -6.551 -6.054 193 HG13 VAL 31 3HG1 VAL 31 -4.736 -6.472 -4.531 194 HG21 VAL 31 1HG2 VAL 31 -6.032 -9.383 -4.300 195 HG22 VAL 31 2HG2 VAL 31 -6.294 -7.711 -4.794 196 HG23 VAL 31 3HG2 VAL 31 -6.248 -8.991 -6.006 197 H ALA 32 H ALA 32 -5.291 -9.776 -8.502 198 HA ALA 32 HA ALA 32 -6.693 -11.918 -7.587 199 HB1 ALA 32 1HB ALA 32 -7.134 -12.476 -9.779 200 HB2 ALA 32 2HB ALA 32 -6.617 -10.796 -9.938 201 HB3 ALA 32 3HB ALA 32 -5.495 -12.103 -10.316 202 H ASP 33 H ASP 33 -3.551 -12.203 -9.261 203 HA ASP 33 HA ASP 33 -3.173 -14.788 -7.900 204 HB2 ASP 33 1HB ASP 33 -3.307 -14.709 -10.464 205 HB3 ASP 33 2HB ASP 33 -1.727 -13.932 -10.400 206 H LYS 34 H LYS 34 -2.561 -12.731 -6.342 207 HA LYS 34 HA LYS 34 0.381 -12.662 -6.400 208 HB2 LYS 34 1HB LYS 34 -1.488 -10.403 -5.666 209 HB3 LYS 34 2HB LYS 34 0.248 -10.380 -5.389 210 HG2 LYS 34 1HG LYS 34 -0.831 -10.862 -8.133 211 HG3 LYS 34 2HG LYS 34 -0.725 -9.223 -7.486 212 HD2 LYS 34 1HD LYS 34 1.615 -11.114 -7.505 213 HD3 LYS 34 2HD LYS 34 1.254 -10.035 -8.854 214 HE2 LYS 34 1HE LYS 34 1.806 -8.154 -7.674 215 HE3 LYS 34 2HE LYS 34 1.381 -8.872 -6.121 216 HZ1 LYS 34 1HZ LYS 34 3.708 -8.684 -6.142 217 HZ2 LYS 34 2HZ LYS 34 3.841 -9.303 -7.710 218 HZ3 LYS 34 3HZ LYS 34 3.398 -10.321 -6.434 219 H ASP 35 H ASP 35 1.327 -13.360 -4.595 220 HA ASP 35 HA ASP 35 -0.261 -14.301 -2.410 221 HB2 ASP 35 1HB ASP 35 2.746 -14.100 -2.686 222 HB3 ASP 35 2HB ASP 35 1.892 -14.995 -1.432 223 H THR 36 H THR 36 1.848 -11.544 -2.969 224 HA THR 36 HA THR 36 0.737 -10.249 -0.607 225 HB THR 36 HB THR 36 3.729 -10.319 -1.002 226 HG1 THR 36 1HG THR 36 2.010 -12.034 0.404 227 HG21 THR 36 1HG2 THR 36 2.046 -9.472 1.359 228 HG22 THR 36 2HG2 THR 36 2.783 -8.370 0.196 229 HG23 THR 36 3HG2 THR 36 3.801 -9.373 1.228 230 H VAL 37 H VAL 37 0.132 -8.266 -1.154 231 HA VAL 37 HA VAL 37 1.655 -6.846 -3.238 232 HB VAL 37 HB VAL 37 -1.343 -6.762 -2.867 233 HG11 VAL 37 1HG1 VAL 37 -0.130 -5.672 -5.308 234 HG12 VAL 37 2HG1 VAL 37 -1.442 -5.042 -4.310 235 HG13 VAL 37 3HG1 VAL 37 0.236 -4.774 -3.835 236 HG21 VAL 37 1HG2 VAL 37 -1.556 -8.378 -4.392 237 HG22 VAL 37 2HG2 VAL 37 -0.332 -7.662 -5.440 238 HG23 VAL 37 3HG2 VAL 37 0.152 -8.720 -4.115 239 H LEU 38 H LEU 38 2.461 -4.975 -2.569 240 HA LEU 38 HA LEU 38 1.637 -3.868 -0.025 241 HB2 LEU 38 1HB LEU 38 3.947 -3.846 -0.305 242 HB3 LEU 38 2HB LEU 38 3.834 -3.294 -1.974 243 HG LEU 38 HG LEU 38 2.947 -1.096 -0.961 244 HD11 LEU 38 1HD1 LEU 38 4.528 -1.843 1.444 245 HD12 LEU 38 2HD1 LEU 38 2.845 -2.360 1.347 246 HD13 LEU 38 3HD1 LEU 38 3.247 -0.645 1.257 247 HD21 LEU 38 1HD2 LEU 38 5.825 -1.852 -0.473 248 HD22 LEU 38 2HD2 LEU 38 5.182 -0.234 -0.753 249 HD23 LEU 38 3HD2 LEU 38 5.152 -1.432 -2.049 250 H LEU 39 H LEU 39 0.162 -2.333 0.212 251 HA LEU 39 HA LEU 39 -0.520 -0.669 -2.122 252 HB2 LEU 39 1HB LEU 39 -2.289 -1.308 0.230 253 HB3 LEU 39 2HB LEU 39 -2.749 -0.483 -1.257 254 HG LEU 39 HG LEU 39 -1.847 -3.356 -1.174 255 HD11 LEU 39 1HD1 LEU 39 -3.789 -3.392 0.127 256 HD12 LEU 39 2HD1 LEU 39 -4.345 -3.783 -1.500 257 HD13 LEU 39 3HD1 LEU 39 -4.580 -2.158 -0.855 258 HD21 LEU 39 1HD2 LEU 39 -2.794 -1.476 -3.246 259 HD22 LEU 39 2HD2 LEU 39 -3.434 -3.118 -3.323 260 HD23 LEU 39 3HD2 LEU 39 -1.691 -2.846 -3.372 261 H GLU 40 H GLU 40 -0.059 1.419 -1.977 262 HA GLU 40 HA GLU 40 0.342 2.581 0.700 263 HB2 GLU 40 1HB GLU 40 2.252 2.399 -1.133 264 HB3 GLU 40 2HB GLU 40 1.489 3.863 -1.736 265 HG2 GLU 40 1HG GLU 40 3.003 4.804 -0.347 266 HG3 GLU 40 2HG GLU 40 1.690 4.572 0.805 267 H PHE 41 H PHE 41 -1.148 3.988 1.312 268 HA PHE 41 HA PHE 41 -2.894 5.197 -0.689 269 HB2 PHE 41 1HB PHE 41 -3.063 5.037 2.323 270 HB3 PHE 41 2HB PHE 41 -4.216 5.923 1.332 271 HD1 PHE 41 1HD PHE 41 -5.800 4.758 -0.080 272 HD2 PHE 41 2HD PHE 41 -3.024 2.625 2.342 273 HE1 PHE 41 1HE PHE 41 -7.103 2.697 -0.407 274 HE2 PHE 41 2HE PHE 41 -4.322 0.561 2.017 275 HZ PHE 41 HZ PHE 41 -6.364 0.594 0.641 276 H TYR 42 H TYR 42 -3.125 7.383 -0.993 277 HA TYR 42 HA TYR 42 -1.657 9.259 0.654 278 HB2 TYR 42 1HB TYR 42 -0.179 10.069 -0.979 279 HB3 TYR 42 2HB TYR 42 -0.075 8.320 -1.150 280 HD1 TYR 42 2HD TYR 42 -1.497 11.392 -2.635 281 HD2 TYR 42 1HD TYR 42 -0.711 7.244 -3.171 282 HE1 TYR 42 2HE TYR 42 -2.064 11.598 -5.019 283 HE2 TYR 42 1HE TYR 42 -1.274 7.440 -5.557 284 HH TYR 42 HH TYR 42 -1.749 10.508 -7.087 285 H ALA 43 H ALA 43 -1.858 11.546 -0.475 286 HA ALA 43 HA ALA 43 -4.448 11.810 -1.813 287 HB1 ALA 43 1HB ALA 43 -3.817 13.572 0.529 288 HB2 ALA 43 2HB ALA 43 -5.368 13.287 -0.260 289 HB3 ALA 43 3HB ALA 43 -4.643 12.027 0.738 290 HA PRO 44 HA PRO 44 -2.232 14.773 -4.206 291 HB2 PRO 44 1HB PRO 44 -4.344 16.101 -5.277 292 HB3 PRO 44 2HB PRO 44 -3.865 14.481 -5.795 293 HG2 PRO 44 1HG PRO 44 -6.037 15.300 -3.904 294 HG3 PRO 44 2HG PRO 44 -6.073 14.076 -5.187 295 HD2 PRO 44 1HD PRO 44 -5.748 13.440 -2.575 296 HD3 PRO 44 2HD PRO 44 -5.007 12.499 -3.886 297 H TRP 45 H TRP 45 -4.594 15.723 -1.817 298 HA TRP 45 HA TRP 45 -3.717 18.503 -1.881 299 HB2 TRP 45 1HB TRP 45 -5.450 18.616 0.071 300 HB3 TRP 45 2HB TRP 45 -6.019 18.446 -1.588 301 HD1 TRP 45 HD TRP 45 -7.539 16.421 -2.098 302 HE1 TRP 45 1HE TRP 45 -8.338 14.368 -0.767 303 HE3 TRP 45 3HE TRP 45 -4.544 16.906 2.017 304 HZ2 TRP 45 2HZ TRP 45 -7.773 13.120 1.701 305 HZ3 TRP 45 3HZ TRP 45 -4.736 15.241 3.818 306 HH2 TRP 45 HH TRP 45 -6.318 13.388 3.662 307 H CYS 46 H CYS 46 -2.509 15.775 -0.619 308 HA CYS 46 HA CYS 46 -1.739 16.954 1.953 309 HB2 CYS 46 1HB CYS 46 -2.655 14.641 1.941 310 HB3 CYS 46 2HB CYS 46 -1.298 14.138 0.940 311 HG CYS 46 HG CYS 46 -0.876 15.485 4.053 312 H GLY 47 H GLY 47 0.004 18.217 1.788 313 HA2 GLY 47 1HA GLY 47 1.989 17.926 -0.227 314 HA3 GLY 47 2HA GLY 47 2.087 18.978 1.177 315 H HIS 48 H HIS 48 1.815 16.933 3.154 316 HA HIS 48 HA HIS 48 4.446 16.263 3.632 317 HB2 HIS 48 1HB HIS 48 2.269 16.086 5.120 318 HB3 HIS 48 2HB HIS 48 2.310 14.406 4.591 319 HD1 HIS 48 1HD HIS 48 3.430 12.977 6.251 320 HD2 HIS 48 2HD HIS 48 5.099 16.780 6.131 321 HE1 HIS 48 1HE HIS 48 5.272 12.957 7.963 322 HE2 HIS 48 2HE HIS 48 6.212 15.294 7.932 323 H CYS 49 H CYS 49 2.229 14.795 1.466 324 HA CYS 49 HA CYS 49 3.540 12.243 1.330 325 HB2 CYS 49 1HB CYS 49 1.291 12.122 0.724 326 HB3 CYS 49 2HB CYS 49 1.366 13.597 -0.231 327 HG CYS 49 HG CYS 49 3.373 11.340 -1.538 328 H LYS 50 H LYS 50 3.696 15.280 -0.416 329 HA LYS 50 HA LYS 50 5.061 14.534 -2.698 330 HB2 LYS 50 1HB LYS 50 5.256 17.041 -1.031 331 HB3 LYS 50 2HB LYS 50 6.081 16.860 -2.574 332 HG2 LYS 50 1HG LYS 50 3.983 16.600 -3.722 333 HG3 LYS 50 2HG LYS 50 3.105 16.613 -2.191 334 HD2 LYS 50 1HD LYS 50 3.491 18.882 -1.848 335 HD3 LYS 50 2HD LYS 50 4.858 18.917 -2.963 336 HE2 LYS 50 1HE LYS 50 3.262 18.495 -4.827 337 HE3 LYS 50 2HE LYS 50 1.940 18.644 -3.671 338 HZ1 LYS 50 1HZ LYS 50 3.921 20.806 -3.921 339 HZ2 LYS 50 2HZ LYS 50 2.315 20.885 -3.397 340 HZ3 LYS 50 3HZ LYS 50 2.659 20.689 -5.042 341 H GLN 51 H GLN 51 6.341 15.184 0.533 342 HA GLN 51 HA GLN 51 9.074 14.964 -0.169 343 HB2 GLN 51 1HB GLN 51 7.546 14.853 2.405 344 HB3 GLN 51 2HB GLN 51 9.251 14.423 2.385 345 HG2 GLN 51 1HG GLN 51 8.196 17.030 1.327 346 HG3 GLN 51 2HG GLN 51 8.730 16.799 2.991 347 HE21 GLN 51 1HE2 GLN 51 10.897 16.594 3.434 348 HE22 GLN 51 2HE2 GLN 51 12.129 16.918 2.268 349 H PHE 52 H PHE 52 6.598 12.639 0.484 350 HA PHE 52 HA PHE 52 8.507 10.472 0.854 351 HB2 PHE 52 1HB PHE 52 6.254 10.740 2.104 352 HB3 PHE 52 2HB PHE 52 5.529 10.131 0.620 353 HD1 PHE 52 1HD PHE 52 8.391 9.263 2.857 354 HD2 PHE 52 2HD PHE 52 5.068 7.892 0.578 355 HE1 PHE 52 1HE PHE 52 8.843 6.958 3.589 356 HE2 PHE 52 2HE PHE 52 5.514 5.586 1.307 357 HZ PHE 52 HZ PHE 52 7.403 5.116 2.815 358 H ALA 53 H ALA 53 6.530 11.874 -1.613 359 HA ALA 53 HA ALA 53 5.950 9.990 -3.418 360 HB1 ALA 53 1HB ALA 53 6.558 12.757 -3.547 361 HB2 ALA 53 2HB ALA 53 7.345 11.962 -4.911 362 HB3 ALA 53 3HB ALA 53 5.607 11.786 -4.671 363 HA PRO 54 HA PRO 54 10.446 9.631 -5.133 364 HB2 PRO 54 1HB PRO 54 12.422 10.887 -3.759 365 HB3 PRO 54 2HB PRO 54 11.509 11.666 -5.057 366 HG2 PRO 54 1HG PRO 54 11.153 11.889 -2.093 367 HG3 PRO 54 2HG PRO 54 11.109 13.165 -3.324 368 HD2 PRO 54 1HD PRO 54 8.864 12.089 -2.260 369 HD3 PRO 54 2HD PRO 54 8.941 12.675 -3.934 370 H GLU 55 H GLU 55 10.122 9.848 -1.625 371 HA GLU 55 HA GLU 55 12.113 8.000 -0.922 372 HB2 GLU 55 1HB GLU 55 11.042 9.513 0.693 373 HB3 GLU 55 2HB GLU 55 9.530 8.633 0.516 374 HG2 GLU 55 1HG GLU 55 10.447 7.820 2.492 375 HG3 GLU 55 2HG GLU 55 10.826 6.583 1.294 376 H TYR 56 H TYR 56 8.749 7.577 -1.855 377 HA TYR 56 HA TYR 56 8.622 4.804 -1.205 378 HB2 TYR 56 1HB TYR 56 6.665 6.427 -1.496 379 HB3 TYR 56 2HB TYR 56 6.882 6.206 -3.229 380 HD1 TYR 56 1HD TYR 56 7.033 3.774 -0.398 381 HD2 TYR 56 2HD TYR 56 5.101 4.946 -4.003 382 HE1 TYR 56 1HE TYR 56 5.646 1.745 -0.308 383 HE2 TYR 56 2HE TYR 56 3.708 2.921 -3.922 384 HH TYR 56 HH TYR 56 3.220 1.064 -2.816 385 H GLU 57 H GLU 57 8.764 6.498 -4.344 386 HA GLU 57 HA GLU 57 8.930 4.464 -6.099 387 HB2 GLU 57 1HB GLU 57 10.720 6.900 -6.097 388 HB3 GLU 57 2HB GLU 57 10.425 5.862 -7.485 389 HG2 GLU 57 1HG GLU 57 8.191 6.547 -7.664 390 HG3 GLU 57 2HG GLU 57 8.196 7.264 -6.054 391 H LYS 58 H LYS 58 11.723 5.732 -4.291 392 HA LYS 58 HA LYS 58 13.683 4.044 -5.250 393 HB2 LYS 58 1HB LYS 58 13.374 5.072 -2.422 394 HB3 LYS 58 2HB LYS 58 14.858 4.431 -3.116 395 HG2 LYS 58 1HG LYS 58 15.208 6.283 -4.428 396 HG3 LYS 58 2HG LYS 58 13.499 6.722 -4.451 397 HD2 LYS 58 1HD LYS 58 14.337 8.321 -3.028 398 HD3 LYS 58 2HD LYS 58 13.873 7.065 -1.877 399 HE2 LYS 58 1HE LYS 58 16.633 7.122 -3.034 400 HE3 LYS 58 2HE LYS 58 16.211 8.175 -1.685 401 HZ1 LYS 58 1HZ LYS 58 15.423 5.413 -1.358 402 HZ2 LYS 58 2HZ LYS 58 16.168 6.464 -0.262 403 HZ3 LYS 58 3HZ LYS 58 17.095 5.659 -1.426 404 H ILE 59 H ILE 59 11.372 3.468 -2.631 405 HA ILE 59 HA ILE 59 12.386 1.005 -1.760 406 HB ILE 59 HB ILE 59 9.554 2.050 -1.707 407 HG12 ILE 59 1HG1 ILE 59 11.497 1.832 0.586 408 HG13 ILE 59 2HG1 ILE 59 11.445 3.254 -0.449 409 HG21 ILE 59 1HG2 ILE 59 9.692 0.267 0.329 410 HG22 ILE 59 2HG2 ILE 59 9.027 -0.089 -1.265 411 HG23 ILE 59 3HG2 ILE 59 10.692 -0.529 -0.886 412 HD11 ILE 59 1HD1 ILE 59 8.865 3.115 0.165 413 HD12 ILE 59 2HD1 ILE 59 9.528 2.319 1.593 414 HD13 ILE 59 3HD1 ILE 59 10.042 3.954 1.175 415 H ALA 60 H ALA 60 9.765 1.694 -4.073 416 HA ALA 60 HA ALA 60 8.853 -0.718 -4.783 417 HB1 ALA 60 1HB ALA 60 8.090 0.233 -6.683 418 HB2 ALA 60 2HB ALA 60 8.678 1.709 -5.916 419 HB3 ALA 60 3HB ALA 60 9.669 0.886 -7.120 420 H SER 61 H SER 61 11.705 0.663 -6.431 421 HA SER 61 HA SER 61 12.475 -1.550 -7.861 422 HB2 SER 61 1HB SER 61 13.543 0.636 -8.129 423 HB3 SER 61 2HB SER 61 14.283 0.487 -6.535 424 HG SER 61 HG SER 61 14.732 -1.548 -8.397 425 H THR 62 H THR 62 13.524 -0.681 -4.574 426 HA THR 62 HA THR 62 15.254 -2.735 -4.031 427 HB THR 62 HB THR 62 13.222 -1.560 -2.122 428 HG1 THR 62 1HG THR 62 15.906 -0.839 -2.762 429 HG21 THR 62 1HG2 THR 62 14.005 -2.999 -0.612 430 HG22 THR 62 2HG2 THR 62 15.604 -2.280 -0.801 431 HG23 THR 62 3HG2 THR 62 15.139 -3.667 -1.785 432 H LEU 63 H LEU 63 11.786 -2.793 -3.177 433 HA LEU 63 HA LEU 63 11.790 -5.575 -2.603 434 HB2 LEU 63 1HB LEU 63 9.559 -3.619 -3.112 435 HB3 LEU 63 2HB LEU 63 9.292 -5.299 -2.651 436 HG LEU 63 HG LEU 63 10.815 -3.320 -0.962 437 HD11 LEU 63 1HD1 LEU 63 7.911 -3.886 -1.195 438 HD12 LEU 63 2HD1 LEU 63 8.747 -2.385 -0.797 439 HD13 LEU 63 3HD1 LEU 63 8.582 -3.652 0.419 440 HD21 LEU 63 1HD2 LEU 63 10.255 -5.025 0.808 441 HD22 LEU 63 2HD2 LEU 63 11.430 -5.538 -0.404 442 HD23 LEU 63 3HD2 LEU 63 9.760 -6.100 -0.499 443 H LYS 64 H LYS 64 11.900 -3.922 -5.501 444 HA LYS 64 HA LYS 64 10.232 -5.573 -7.111 445 HB2 LYS 64 1HB LYS 64 11.189 -3.218 -7.613 446 HB3 LYS 64 2HB LYS 64 12.624 -4.081 -8.151 447 HG2 LYS 64 1HG LYS 64 11.192 -5.352 -9.736 448 HG3 LYS 64 2HG LYS 64 9.839 -4.322 -9.264 449 HD2 LYS 64 1HD LYS 64 12.403 -3.101 -10.208 450 HD3 LYS 64 2HD LYS 64 11.234 -3.724 -11.375 451 HE2 LYS 64 1HE LYS 64 9.507 -2.282 -10.381 452 HE3 LYS 64 2HE LYS 64 10.705 -1.639 -9.259 453 HZ1 LYS 64 1HZ LYS 64 11.956 -1.154 -11.509 454 HZ2 LYS 64 2HZ LYS 64 10.818 -0.074 -10.878 455 HZ3 LYS 64 3HZ LYS 64 10.378 -1.136 -12.119 456 H ASP 65 H ASP 65 13.775 -5.422 -6.737 457 HA ASP 65 HA ASP 65 14.036 -8.002 -8.061 458 HB2 ASP 65 1HB ASP 65 15.580 -5.998 -8.466 459 HB3 ASP 65 2HB ASP 65 16.280 -6.364 -6.892 460 H ASN 66 H ASN 66 12.912 -7.488 -5.257 461 HA ASN 66 HA ASN 66 14.789 -8.903 -3.562 462 HB2 ASN 66 1HB ASN 66 13.519 -7.125 -2.537 463 HB3 ASN 66 2HB ASN 66 12.000 -7.846 -3.062 464 HD21 ASN 66 1HD2 ASN 66 11.135 -9.533 -1.930 465 HD22 ASN 66 2HD2 ASN 66 11.757 -10.072 -0.411 466 H ASP 67 H ASP 67 13.940 -10.767 -2.235 467 HA ASP 67 HA ASP 67 12.181 -12.506 -3.829 468 HB2 ASP 67 1HB ASP 67 14.869 -13.177 -2.639 469 HB3 ASP 67 2HB ASP 67 13.698 -14.419 -3.072 470 HA PRO 68 HA PRO 68 10.791 -13.929 -3.789 471 HB2 PRO 68 1HB PRO 68 8.126 -13.663 -3.341 472 HB3 PRO 68 2HB PRO 68 9.043 -15.095 -2.859 473 HG2 PRO 68 1HG PRO 68 8.185 -12.751 -1.208 474 HG3 PRO 68 2HG PRO 68 8.147 -14.477 -0.804 475 HD2 PRO 68 1HD PRO 68 10.087 -12.814 0.092 476 HD3 PRO 68 2HD PRO 68 10.386 -14.528 -0.261 477 HA PRO 69 HA PRO 69 10.087 -10.022 -5.683 478 HB2 PRO 69 1HB PRO 69 8.458 -10.683 -7.752 479 HB3 PRO 69 2HB PRO 69 10.175 -11.103 -7.708 480 HG2 PRO 69 1HG PRO 69 7.793 -12.795 -7.057 481 HG3 PRO 69 2HG PRO 69 9.246 -13.218 -7.981 482 HD2 PRO 69 1HD PRO 69 8.905 -13.936 -5.392 483 HD3 PRO 69 2HD PRO 69 10.502 -13.577 -6.082 484 H ILE 70 H ILE 70 8.855 -8.359 -5.090 485 HA ILE 70 HA ILE 70 5.980 -8.830 -4.631 486 HB ILE 70 HB ILE 70 7.712 -6.830 -3.176 487 HG12 ILE 70 1HG1 ILE 70 6.482 -9.233 -1.881 488 HG13 ILE 70 2HG1 ILE 70 8.000 -9.410 -2.753 489 HG21 ILE 70 1HG2 ILE 70 5.408 -7.300 -1.721 490 HG22 ILE 70 2HG2 ILE 70 5.751 -5.882 -2.711 491 HG23 ILE 70 3HG2 ILE 70 4.850 -7.236 -3.392 492 HD11 ILE 70 1HD1 ILE 70 7.627 -8.583 -0.112 493 HD12 ILE 70 2HD1 ILE 70 9.130 -8.603 -1.035 494 HD13 ILE 70 3HD1 ILE 70 8.134 -7.148 -1.002 495 H ALA 71 H ALA 71 4.533 -7.229 -5.266 496 HA ALA 71 HA ALA 71 5.620 -5.312 -7.210 497 HB1 ALA 71 1HB ALA 71 3.532 -7.144 -7.410 498 HB2 ALA 71 2HB ALA 71 2.747 -5.570 -7.274 499 HB3 ALA 71 3HB ALA 71 3.932 -5.857 -8.548 500 H VAL 72 H VAL 72 5.971 -3.394 -6.275 501 HA VAL 72 HA VAL 72 4.290 -2.428 -4.128 502 HB VAL 72 HB VAL 72 6.650 -1.179 -5.537 503 HG11 VAL 72 1HG1 VAL 72 4.639 0.039 -3.896 504 HG12 VAL 72 2HG1 VAL 72 6.199 0.086 -3.071 505 HG13 VAL 72 3HG1 VAL 72 6.032 0.777 -4.686 506 HG21 VAL 72 1HG2 VAL 72 7.485 -1.516 -3.043 507 HG22 VAL 72 2HG2 VAL 72 6.286 -2.809 -3.081 508 HG23 VAL 72 3HG2 VAL 72 7.608 -2.798 -4.248 509 H ALA 73 H ALA 73 2.513 -1.262 -4.402 510 HA ALA 73 HA ALA 73 2.301 0.517 -6.722 511 HB1 ALA 73 1HB ALA 73 0.312 -0.329 -7.499 512 HB2 ALA 73 2HB ALA 73 1.128 -1.806 -6.985 513 HB3 ALA 73 3HB ALA 73 -0.102 -1.073 -5.955 514 H LYS 74 H LYS 74 0.575 2.128 -6.490 515 HA LYS 74 HA LYS 74 -0.067 2.681 -3.668 516 HB2 LYS 74 1HB LYS 74 0.267 5.044 -4.064 517 HB3 LYS 74 2HB LYS 74 1.722 4.168 -4.521 518 HG2 LYS 74 1HG LYS 74 0.991 4.278 -6.884 519 HG3 LYS 74 2HG LYS 74 -0.380 5.268 -6.376 520 HD2 LYS 74 1HD LYS 74 1.060 7.014 -5.629 521 HD3 LYS 74 2HD LYS 74 2.490 5.997 -5.817 522 HE2 LYS 74 1HE LYS 74 1.942 5.889 -8.276 523 HE3 LYS 74 2HE LYS 74 0.734 7.138 -7.980 524 HZ1 LYS 74 1HZ LYS 74 2.297 8.717 -7.742 525 HZ2 LYS 74 2HZ LYS 74 3.252 7.658 -8.652 526 HZ3 LYS 74 3HZ LYS 74 3.398 7.691 -6.967 527 H ILE 75 H ILE 75 -1.940 4.153 -3.388 528 HA ILE 75 HA ILE 75 -3.831 4.179 -5.611 529 HB ILE 75 HB ILE 75 -4.455 2.913 -2.942 530 HG12 ILE 75 1HG1 ILE 75 -4.809 1.627 -5.629 531 HG13 ILE 75 2HG1 ILE 75 -3.224 1.636 -4.863 532 HG21 ILE 75 1HG2 ILE 75 -6.625 2.493 -4.564 533 HG22 ILE 75 2HG2 ILE 75 -6.517 3.702 -3.285 534 HG23 ILE 75 3HG2 ILE 75 -6.165 4.151 -4.953 535 HD11 ILE 75 1HD1 ILE 75 -4.380 -0.429 -4.396 536 HD12 ILE 75 2HD1 ILE 75 -4.186 0.505 -2.911 537 HD13 ILE 75 3HD1 ILE 75 -5.749 0.459 -3.727 538 H ASP 76 H ASP 76 -5.166 5.913 -5.602 539 HA ASP 76 HA ASP 76 -4.687 7.934 -3.572 540 HB2 ASP 76 1HB ASP 76 -4.794 8.317 -6.132 541 HB3 ASP 76 2HB ASP 76 -6.541 8.252 -5.917 542 H ALA 77 H ALA 77 -5.768 6.895 -1.815 543 HA ALA 77 HA ALA 77 -8.218 5.847 -1.561 544 HB1 ALA 77 1HB ALA 77 -6.421 6.798 0.210 545 HB2 ALA 77 2HB ALA 77 -7.734 7.955 0.436 546 HB3 ALA 77 3HB ALA 77 -8.032 6.230 0.650 547 H THR 78 H THR 78 -7.587 9.340 -1.734 548 HA THR 78 HA THR 78 -10.111 10.345 -1.374 549 HB THR 78 HB THR 78 -9.470 12.258 -2.752 550 HG1 THR 78 1HG THR 78 -7.187 11.969 -3.671 551 HG21 THR 78 1HG2 THR 78 -7.141 11.195 -1.148 552 HG22 THR 78 2HG2 THR 78 -8.524 12.073 -0.495 553 HG23 THR 78 3HG2 THR 78 -7.407 12.879 -1.596 554 H SER 79 H SER 79 -8.720 9.067 -4.375 555 HA SER 79 HA SER 79 -11.159 9.521 -5.852 556 HB2 SER 79 1HB SER 79 -8.453 8.423 -6.483 557 HB3 SER 79 2HB SER 79 -9.794 8.018 -7.554 558 HG SER 79 HG SER 79 -8.661 10.528 -6.986 559 H ALA 80 H ALA 80 -9.523 6.827 -4.303 560 HA ALA 80 HA ALA 80 -11.643 4.997 -5.170 561 HB1 ALA 80 1HB ALA 80 -9.823 3.553 -3.644 562 HB2 ALA 80 2HB ALA 80 -9.923 3.606 -5.404 563 HB3 ALA 80 3HB ALA 80 -8.837 4.701 -4.549 564 H SER 81 H SER 81 -13.373 5.400 -3.871 565 HA SER 81 HA SER 81 -13.112 5.838 -1.049 566 HB2 SER 81 1HB SER 81 -15.588 5.797 -1.052 567 HB3 SER 81 2HB SER 81 -14.943 6.878 -2.287 568 HG SER 81 HG SER 81 -15.768 5.649 -3.788 569 H MET 82 H MET 82 -14.487 3.206 -3.020 570 HA MET 82 HA MET 82 -15.244 1.451 -1.069 571 HB2 MET 82 1HB MET 82 -15.369 1.214 -3.627 572 HB3 MET 82 2HB MET 82 -13.766 0.499 -3.512 573 HG2 MET 82 1HG MET 82 -16.212 -0.517 -2.083 574 HG3 MET 82 2HG MET 82 -15.576 -1.166 -3.593 575 HE1 MET 82 1HE MET 82 -13.125 -2.070 -3.830 576 HE2 MET 82 2HE MET 82 -12.676 -3.317 -2.667 577 HE3 MET 82 3HE MET 82 -14.246 -3.382 -3.469 578 H LEU 83 H LEU 83 -12.025 1.463 -2.613 579 HA LEU 83 HA LEU 83 -10.863 -0.435 -0.919 580 HB2 LEU 83 1HB LEU 83 -9.507 1.852 -2.339 581 HB3 LEU 83 2HB LEU 83 -8.720 0.404 -1.714 582 HG LEU 83 HG LEU 83 -10.747 0.444 -3.949 583 HD11 LEU 83 1HD1 LEU 83 -7.758 0.510 -3.919 584 HD12 LEU 83 2HD1 LEU 83 -8.889 1.443 -4.899 585 HD13 LEU 83 3HD1 LEU 83 -8.624 -0.266 -5.245 586 HD21 LEU 83 1HD2 LEU 83 -10.853 -1.663 -2.901 587 HD22 LEU 83 2HD2 LEU 83 -9.104 -1.732 -2.681 588 HD23 LEU 83 3HD2 LEU 83 -9.797 -1.883 -4.296 589 H ALA 84 H ALA 84 -10.968 3.098 -0.696 590 HA ALA 84 HA ALA 84 -9.294 3.481 1.478 591 HB1 ALA 84 1HB ALA 84 -10.025 5.399 0.342 592 HB2 ALA 84 2HB ALA 84 -11.725 4.980 0.552 593 HB3 ALA 84 3HB ALA 84 -10.769 5.506 1.937 594 H SER 85 H SER 85 -12.778 2.786 1.460 595 HA SER 85 HA SER 85 -13.030 2.807 4.297 596 HB2 SER 85 1HB SER 85 -14.774 2.021 2.005 597 HB3 SER 85 2HB SER 85 -15.202 1.444 3.615 598 HG SER 85 HG SER 85 -16.185 3.443 3.185 599 H LYS 86 H LYS 86 -12.237 0.383 1.922 600 HA LYS 86 HA LYS 86 -12.750 -1.955 3.323 601 HB2 LYS 86 1HB LYS 86 -11.892 -1.624 0.913 602 HB3 LYS 86 2HB LYS 86 -10.286 -1.608 1.631 603 HG2 LYS 86 1HG LYS 86 -10.509 -3.833 2.403 604 HG3 LYS 86 2HG LYS 86 -12.238 -3.855 2.048 605 HD2 LYS 86 1HD LYS 86 -11.907 -4.107 -0.211 606 HD3 LYS 86 2HD LYS 86 -10.326 -3.323 -0.176 607 HE2 LYS 86 1HE LYS 86 -9.239 -5.238 0.431 608 HE3 LYS 86 2HE LYS 86 -10.638 -5.893 1.281 609 HZ1 LYS 86 1HZ LYS 86 -11.052 -7.118 -0.498 610 HZ2 LYS 86 2HZ LYS 86 -9.782 -6.401 -1.355 611 HZ3 LYS 86 3HZ LYS 86 -11.328 -5.715 -1.402 612 H PHE 87 H PHE 87 -9.681 -0.140 3.216 613 HA PHE 87 HA PHE 87 -8.746 -1.623 5.552 614 HB2 PHE 87 1HB PHE 87 -7.263 0.408 3.872 615 HB3 PHE 87 2HB PHE 87 -6.565 -0.664 5.082 616 HD1 PHE 87 2HD PHE 87 -8.242 -0.584 1.787 617 HD2 PHE 87 1HD PHE 87 -5.902 -2.846 4.530 618 HE1 PHE 87 2HE PHE 87 -7.850 -2.281 0.049 619 HE2 PHE 87 1HE PHE 87 -5.506 -4.546 2.796 620 HZ PHE 87 HZ PHE 87 -6.481 -4.265 0.553 621 H ASP 88 H ASP 88 -10.875 0.436 5.674 622 HA ASP 88 HA ASP 88 -11.421 2.384 6.779 623 HB2 ASP 88 1HB ASP 88 -9.633 1.218 8.911 624 HB3 ASP 88 2HB ASP 88 -11.090 2.184 9.129 625 H VAL 89 H VAL 89 -9.391 2.980 5.040 626 HA VAL 89 HA VAL 89 -7.147 4.205 6.278 627 HB VAL 89 HB VAL 89 -8.337 4.684 3.542 628 HG11 VAL 89 1HG1 VAL 89 -6.925 6.547 4.293 629 HG12 VAL 89 2HG1 VAL 89 -5.608 5.413 4.602 630 HG13 VAL 89 3HG1 VAL 89 -6.191 5.662 2.956 631 HG21 VAL 89 1HG2 VAL 89 -7.307 2.368 4.408 632 HG22 VAL 89 2HG2 VAL 89 -7.123 2.941 2.750 633 HG23 VAL 89 3HG2 VAL 89 -5.820 3.178 3.914 634 H SER 90 H SER 90 -7.981 5.530 7.928 635 HA SER 90 HA SER 90 -9.572 7.843 7.079 636 HB2 SER 90 1HB SER 90 -10.426 6.593 9.011 637 HB3 SER 90 2HB SER 90 -8.902 6.850 9.861 638 HG SER 90 HG SER 90 -9.948 8.543 10.581 639 H GLY 91 H GLY 91 -6.792 7.643 6.366 640 HA2 GLY 91 1HA GLY 91 -5.924 10.229 7.013 641 HA3 GLY 91 2HA GLY 91 -5.112 9.102 8.089 642 H TYR 92 H TYR 92 -3.546 10.565 6.492 643 HA TYR 92 HA TYR 92 -2.265 8.561 4.881 644 HB2 TYR 92 1HB TYR 92 -2.857 11.046 3.345 645 HB3 TYR 92 2HB TYR 92 -2.563 9.411 2.764 646 HD1 TYR 92 2HD TYR 92 -5.081 11.733 4.072 647 HD2 TYR 92 1HD TYR 92 -4.370 7.806 2.596 648 HE1 TYR 92 2HE TYR 92 -7.504 11.399 3.810 649 HE2 TYR 92 1HE TYR 92 -6.790 7.461 2.329 650 HH TYR 92 HH TYR 92 -8.941 9.631 2.088 651 HA PRO 93 HA PRO 93 -0.681 8.730 3.156 652 HB2 PRO 93 1HB PRO 93 1.806 7.704 3.525 653 HB3 PRO 93 2HB PRO 93 1.497 9.153 2.560 654 HG2 PRO 93 1HG PRO 93 2.453 8.929 5.388 655 HG3 PRO 93 2HG PRO 93 3.018 10.006 4.098 656 HD2 PRO 93 1HD PRO 93 1.328 10.829 6.047 657 HD3 PRO 93 2HD PRO 93 1.277 11.486 4.399 658 H THR 94 H THR 94 -1.307 6.643 3.340 659 HA THR 94 HA THR 94 -0.892 5.313 5.938 660 HB THR 94 HB THR 94 -3.373 5.471 4.250 661 HG1 THR 94 1HG THR 94 -3.142 6.916 6.012 662 HG21 THR 94 1HG2 THR 94 -2.763 3.378 6.342 663 HG22 THR 94 2HG2 THR 94 -2.983 3.091 4.615 664 HG23 THR 94 3HG2 THR 94 -4.336 3.653 5.596 665 H ILE 95 H ILE 95 0.426 3.640 5.685 666 HA ILE 95 HA ILE 95 0.540 2.252 3.116 667 HB ILE 95 HB ILE 95 2.293 1.735 5.512 668 HG12 ILE 95 1HG1 ILE 95 2.744 3.703 3.257 669 HG13 ILE 95 2HG1 ILE 95 2.418 4.121 4.935 670 HG21 ILE 95 1HG2 ILE 95 2.120 0.720 2.803 671 HG22 ILE 95 2HG2 ILE 95 3.721 1.359 3.172 672 HG23 ILE 95 3HG2 ILE 95 3.019 0.098 4.187 673 HD11 ILE 95 1HD1 ILE 95 4.654 2.342 4.797 674 HD12 ILE 95 2HD1 ILE 95 4.900 3.715 3.718 675 HD13 ILE 95 3HD1 ILE 95 4.566 3.986 5.428 676 H LYS 96 H LYS 96 -0.005 0.145 2.818 677 HA LYS 96 HA LYS 96 -0.773 -1.479 5.118 678 HB2 LYS 96 1HB LYS 96 -2.625 -0.871 2.807 679 HB3 LYS 96 2HB LYS 96 -2.917 -2.111 4.020 680 HG2 LYS 96 1HG LYS 96 -2.436 0.683 4.921 681 HG3 LYS 96 2HG LYS 96 -4.001 0.266 4.219 682 HD2 LYS 96 1HD LYS 96 -4.073 -1.659 5.863 683 HD3 LYS 96 2HD LYS 96 -2.683 -0.913 6.656 684 HE2 LYS 96 1HE LYS 96 -3.951 1.090 7.092 685 HE3 LYS 96 2HE LYS 96 -5.317 0.471 6.165 686 HZ1 LYS 96 1HZ LYS 96 -5.316 -1.423 7.838 687 HZ2 LYS 96 2HZ LYS 96 -5.872 0.079 8.378 688 HZ3 LYS 96 3HZ LYS 96 -4.318 -0.444 8.791 689 H ILE 97 H ILE 97 -1.333 -3.757 4.393 690 HA ILE 97 HA ILE 97 0.104 -4.514 1.948 691 HB ILE 97 HB ILE 97 0.525 -5.745 4.671 692 HG12 ILE 97 1HG1 ILE 97 2.712 -4.780 2.879 693 HG13 ILE 97 2HG1 ILE 97 1.766 -3.588 3.763 694 HG21 ILE 97 1HG2 ILE 97 2.297 -6.971 2.994 695 HG22 ILE 97 2HG2 ILE 97 0.771 -7.663 3.543 696 HG23 ILE 97 3HG2 ILE 97 0.858 -6.845 1.984 697 HD11 ILE 97 1HD1 ILE 97 2.624 -4.196 5.769 698 HD12 ILE 97 2HD1 ILE 97 2.846 -5.879 5.292 699 HD13 ILE 97 3HD1 ILE 97 3.981 -4.649 4.738 700 H LEU 98 H LEU 98 -0.664 -6.329 0.905 701 HA LEU 98 HA LEU 98 -3.156 -7.459 1.997 702 HB2 LEU 98 1HB LEU 98 -3.294 -6.064 -0.103 703 HB3 LEU 98 2HB LEU 98 -2.375 -7.336 -0.906 704 HG LEU 98 HG LEU 98 -4.273 -8.900 -0.158 705 HD11 LEU 98 1HD1 LEU 98 -6.382 -7.944 0.314 706 HD12 LEU 98 2HD1 LEU 98 -5.806 -6.316 -0.038 707 HD13 LEU 98 3HD1 LEU 98 -5.233 -7.162 1.399 708 HD21 LEU 98 1HD2 LEU 98 -5.564 -8.376 -2.139 709 HD22 LEU 98 2HD2 LEU 98 -3.842 -8.199 -2.477 710 HD23 LEU 98 3HD2 LEU 98 -4.842 -6.769 -2.215 711 H LYS 99 H LYS 99 -3.003 -9.497 2.626 712 HA LYS 99 HA LYS 99 -1.011 -11.232 1.319 713 HB2 LYS 99 1HB LYS 99 -0.656 -10.718 3.761 714 HB3 LYS 99 2HB LYS 99 -2.155 -11.575 4.093 715 HG2 LYS 99 1HG LYS 99 -0.374 -13.080 4.506 716 HG3 LYS 99 2HG LYS 99 -1.143 -13.587 3.000 717 HD2 LYS 99 1HD LYS 99 0.612 -12.641 1.695 718 HD3 LYS 99 2HD LYS 99 1.303 -11.831 3.103 719 HE2 LYS 99 1HE LYS 99 2.690 -13.666 2.857 720 HE3 LYS 99 2HE LYS 99 1.529 -14.230 4.059 721 HZ1 LYS 99 1HZ LYS 99 1.926 -15.886 2.337 722 HZ2 LYS 99 2HZ LYS 99 1.402 -14.804 1.147 723 HZ3 LYS 99 3HZ LYS 99 0.316 -15.367 2.316 724 H LYS 100 H LYS 100 -2.038 -12.437 -0.148 725 HA LYS 100 HA LYS 100 -3.664 -13.688 -1.168 726 HB2 LYS 100 1HB LYS 100 -3.825 -14.946 1.575 727 HB3 LYS 100 2HB LYS 100 -4.240 -15.703 0.043 728 HG2 LYS 100 1HG LYS 100 -1.812 -15.331 -0.618 729 HG3 LYS 100 2HG LYS 100 -1.524 -14.974 1.087 730 HD2 LYS 100 1HD LYS 100 -2.267 -17.159 1.734 731 HD3 LYS 100 2HD LYS 100 -2.806 -17.516 0.092 732 HE2 LYS 100 1HE LYS 100 -0.495 -17.392 -0.694 733 HE3 LYS 100 2HE LYS 100 0.046 -17.018 0.941 734 HZ1 LYS 100 1HZ LYS 100 -0.028 -19.153 1.519 735 HZ2 LYS 100 2HZ LYS 100 -0.129 -19.501 -0.133 736 HZ3 LYS 100 3HZ LYS 100 -1.538 -19.406 0.798 737 H GLY 101 H GLY 101 -4.597 -11.227 0.204 738 HA2 GLY 101 1HA GLY 101 -6.823 -10.382 -0.048 739 HA3 GLY 101 2HA GLY 101 -7.436 -11.984 0.337 740 H GLN 102 H GLN 102 -4.863 -10.872 2.298 741 HA GLN 102 HA GLN 102 -6.781 -10.225 4.439 742 HB2 GLN 102 1HB GLN 102 -5.630 -12.313 4.898 743 HB3 GLN 102 2HB GLN 102 -4.070 -11.545 4.638 744 HG2 GLN 102 1HG GLN 102 -4.366 -11.745 6.972 745 HG3 GLN 102 2HG GLN 102 -4.586 -10.043 6.570 746 HE21 GLN 102 1HE2 GLN 102 -5.697 -9.858 8.586 747 HE22 GLN 102 2HE2 GLN 102 -7.351 -10.340 8.716 748 H ALA 103 H ALA 103 -6.756 -8.162 5.006 749 HA ALA 103 HA ALA 103 -4.641 -6.396 4.219 750 HB1 ALA 103 1HB ALA 103 -6.034 -4.755 5.658 751 HB2 ALA 103 2HB ALA 103 -6.719 -5.376 4.155 752 HB3 ALA 103 3HB ALA 103 -7.218 -6.062 5.702 753 H VAL 104 H VAL 104 -2.822 -6.040 5.293 754 HA VAL 104 HA VAL 104 -2.755 -6.609 8.184 755 HB VAL 104 HB VAL 104 -0.460 -6.641 6.219 756 HG11 VAL 104 1HG1 VAL 104 -0.273 -6.092 8.854 757 HG12 VAL 104 2HG1 VAL 104 -0.175 -7.854 8.887 758 HG13 VAL 104 3HG1 VAL 104 0.979 -6.923 7.931 759 HG21 VAL 104 1HG2 VAL 104 -0.925 -9.140 7.519 760 HG22 VAL 104 2HG2 VAL 104 -2.424 -8.594 6.767 761 HG23 VAL 104 3HG2 VAL 104 -0.962 -8.763 5.796 762 H ASP 105 H ASP 105 -3.084 -4.702 9.175 763 HA ASP 105 HA ASP 105 -2.278 -2.188 8.185 764 HB2 ASP 105 1HB ASP 105 -2.682 -1.448 10.594 765 HB3 ASP 105 2HB ASP 105 -4.043 -2.192 9.759 766 H TYR 106 H TYR 106 -0.431 -1.066 8.356 767 HA TYR 106 HA TYR 106 1.860 -2.398 9.554 768 HB2 TYR 106 1HB TYR 106 2.125 -1.495 7.310 769 HB3 TYR 106 2HB TYR 106 1.660 0.107 7.870 770 HD1 TYR 106 2HD TYR 106 4.174 -2.534 8.708 771 HD2 TYR 106 1HD TYR 106 3.361 1.615 8.238 772 HE1 TYR 106 2HE TYR 106 6.532 -2.024 9.188 773 HE2 TYR 106 1HE TYR 106 5.716 2.137 8.715 774 HH TYR 106 HH TYR 106 7.648 1.252 9.637 775 H ASP 107 H ASP 107 3.349 -1.263 10.945 776 HA ASP 107 HA ASP 107 2.440 1.138 12.277 777 HB2 ASP 107 1HB ASP 107 1.237 -0.752 13.425 778 HB3 ASP 107 2HB ASP 107 2.810 -1.378 13.909 779 H GLY 108 H GLY 108 4.215 2.338 12.361 780 HA2 GLY 108 1HA GLY 108 6.397 2.211 13.801 781 HA3 GLY 108 2HA GLY 108 6.824 1.020 12.582 782 H SER 109 H SER 109 8.609 2.794 12.546 783 HA SER 109 HA SER 109 8.055 5.247 11.243 784 HB2 SER 109 1HB SER 109 10.580 3.674 11.717 785 HB3 SER 109 2HB SER 109 10.592 5.169 10.780 786 HG SER 109 HG SER 109 9.307 5.888 12.826 787 H ARG 110 H ARG 110 7.255 5.382 9.256 788 HA ARG 110 HA ARG 110 7.497 3.339 7.305 789 HB2 ARG 110 1HB ARG 110 6.448 4.986 5.778 790 HB3 ARG 110 2HB ARG 110 5.579 4.811 7.296 791 HG2 ARG 110 1HG ARG 110 7.035 6.860 8.020 792 HG3 ARG 110 2HG ARG 110 7.173 7.108 6.278 793 HD2 ARG 110 1HD ARG 110 5.289 8.327 6.686 794 HD3 ARG 110 2HD ARG 110 4.558 6.752 6.380 795 HE ARG 110 HE ARG 110 4.912 6.690 9.034 796 HH11 ARG 110 2HH1 ARG 110 3.546 9.106 6.933 797 HH12 ARG 110 1HH1 ARG 110 2.447 9.711 8.128 798 HH21 ARG 110 2HH2 ARG 110 3.470 7.478 10.616 799 HH22 ARG 110 1HH2 ARG 110 2.405 8.785 10.223 800 H THR 111 H THR 111 9.807 3.049 7.238 801 HA THR 111 HA THR 111 11.158 5.070 5.570 802 HB THR 111 HB THR 111 13.299 3.980 6.603 803 HG1 THR 111 1HG THR 111 11.614 3.647 8.842 804 HG21 THR 111 1HG2 THR 111 11.830 5.679 8.565 805 HG22 THR 111 2HG2 THR 111 12.160 6.332 6.960 806 HG23 THR 111 3HG2 THR 111 13.492 5.803 7.989 807 H GLN 112 H GLN 112 12.850 4.212 4.150 808 HA GLN 112 HA GLN 112 11.958 2.172 2.503 809 HB2 GLN 112 1HB GLN 112 13.645 3.911 1.900 810 HB3 GLN 112 2HB GLN 112 14.834 3.032 2.853 811 HG2 GLN 112 1HG GLN 112 14.093 1.038 1.295 812 HG3 GLN 112 2HG GLN 112 13.632 2.361 0.225 813 HE21 GLN 112 1HE2 GLN 112 15.163 3.377 -0.913 814 HE22 GLN 112 2HE2 GLN 112 16.859 3.076 -0.778 815 H GLU 113 H GLU 113 13.971 2.020 5.354 816 HA GLU 113 HA GLU 113 14.735 -0.730 4.919 817 HB2 GLU 113 1HB GLU 113 15.136 1.215 7.180 818 HB3 GLU 113 2HB GLU 113 15.580 -0.479 7.332 819 HG2 GLU 113 1HG GLU 113 16.600 1.214 5.082 820 HG3 GLU 113 2HG GLU 113 17.393 1.184 6.656 821 H GLU 114 H GLU 114 12.695 0.989 7.283 822 HA GLU 114 HA GLU 114 11.720 -1.318 8.563 823 HB2 GLU 114 1HB GLU 114 10.535 1.449 8.316 824 HB3 GLU 114 2HB GLU 114 9.886 0.195 9.363 825 HG2 GLU 114 1HG GLU 114 12.732 1.109 9.576 826 HG3 GLU 114 2HG GLU 114 11.419 1.943 10.405 827 H ILE 115 H ILE 115 10.015 0.812 6.261 828 HA ILE 115 HA ILE 115 7.728 -0.592 5.860 829 HB ILE 115 HB ILE 115 9.360 0.759 3.709 830 HG12 ILE 115 1HG1 ILE 115 6.963 1.899 5.121 831 HG13 ILE 115 2HG1 ILE 115 8.571 2.045 5.821 832 HG21 ILE 115 1HG2 ILE 115 7.741 0.356 2.226 833 HG22 ILE 115 2HG2 ILE 115 7.182 -0.882 3.349 834 HG23 ILE 115 3HG2 ILE 115 6.469 0.730 3.387 835 HD11 ILE 115 1HD1 ILE 115 7.725 3.987 4.432 836 HD12 ILE 115 2HD1 ILE 115 9.335 3.374 4.052 837 HD13 ILE 115 3HD1 ILE 115 7.963 2.947 3.029 838 H VAL 116 H VAL 116 10.817 -1.182 4.204 839 HA VAL 116 HA VAL 116 9.921 -3.319 2.604 840 HB VAL 116 HB VAL 116 12.652 -2.501 3.559 841 HG11 VAL 116 1HG1 VAL 116 12.015 -4.815 1.731 842 HG12 VAL 116 2HG1 VAL 116 13.626 -4.202 2.112 843 HG13 VAL 116 3HG1 VAL 116 12.642 -4.944 3.374 844 HG21 VAL 116 1HG2 VAL 116 11.384 -1.207 1.796 845 HG22 VAL 116 2HG2 VAL 116 12.987 -1.777 1.329 846 HG23 VAL 116 3HG2 VAL 116 11.549 -2.626 0.762 847 H ALA 117 H ALA 117 11.575 -3.284 5.751 848 HA ALA 117 HA ALA 117 11.979 -5.937 6.209 849 HB1 ALA 117 1HB ALA 117 11.229 -5.258 8.669 850 HB2 ALA 117 2HB ALA 117 12.744 -4.704 7.956 851 HB3 ALA 117 3HB ALA 117 11.336 -3.643 7.970 852 H LYS 118 H LYS 118 8.999 -4.208 7.149 853 HA LYS 118 HA LYS 118 7.545 -6.448 7.942 854 HB2 LYS 118 1HB LYS 118 6.724 -4.295 8.533 855 HB3 LYS 118 2HB LYS 118 6.672 -3.775 6.853 856 HG2 LYS 118 1HG LYS 118 4.440 -4.185 7.603 857 HG3 LYS 118 2HG LYS 118 4.883 -5.441 6.444 858 HD2 LYS 118 1HD LYS 118 3.899 -6.687 8.115 859 HD3 LYS 118 2HD LYS 118 5.598 -6.757 8.586 860 HE2 LYS 118 1HE LYS 118 4.504 -6.244 10.575 861 HE3 LYS 118 2HE LYS 118 5.072 -4.676 10.004 862 HZ1 LYS 118 1HZ LYS 118 2.950 -4.099 10.393 863 HZ2 LYS 118 2HZ LYS 118 2.363 -5.680 10.269 864 HZ3 LYS 118 3HZ LYS 118 2.668 -4.779 8.870 865 H VAL 119 H VAL 119 7.225 -4.694 4.848 866 HA VAL 119 HA VAL 119 5.526 -6.424 3.552 867 HB VAL 119 HB VAL 119 7.770 -4.754 2.430 868 HG11 VAL 119 1HG1 VAL 119 6.087 -5.138 0.335 869 HG12 VAL 119 2HG1 VAL 119 7.583 -6.037 0.595 870 HG13 VAL 119 3HG1 VAL 119 6.041 -6.722 1.108 871 HG21 VAL 119 1HG2 VAL 119 6.102 -3.170 1.905 872 HG22 VAL 119 2HG2 VAL 119 4.801 -4.318 2.221 873 HG23 VAL 119 3HG2 VAL 119 5.763 -3.687 3.557 874 H ARG 120 H ARG 120 9.040 -6.386 2.940 875 HA ARG 120 HA ARG 120 9.199 -8.784 1.585 876 HB2 ARG 120 1HB ARG 120 11.544 -8.739 1.980 877 HB3 ARG 120 2HB ARG 120 11.022 -7.063 1.876 878 HG2 ARG 120 1HG ARG 120 12.309 -6.877 3.718 879 HG3 ARG 120 2HG ARG 120 10.824 -7.397 4.516 880 HD2 ARG 120 1HD ARG 120 12.889 -8.617 5.235 881 HD3 ARG 120 2HD ARG 120 11.587 -9.648 4.643 882 HE ARG 120 HE ARG 120 13.337 -9.017 2.526 883 HH11 ARG 120 2HH1 ARG 120 13.177 -10.924 5.434 884 HH12 ARG 120 1HH1 ARG 120 14.297 -12.118 4.868 885 HH21 ARG 120 2HH2 ARG 120 14.814 -10.582 1.770 886 HH22 ARG 120 1HH2 ARG 120 15.229 -11.922 2.784 887 H GLU 121 H GLU 121 8.899 -8.212 5.002 888 HA GLU 121 HA GLU 121 9.689 -10.841 5.818 889 HB2 GLU 121 1HB GLU 121 9.932 -9.124 7.437 890 HB3 GLU 121 2HB GLU 121 8.277 -8.575 7.213 891 HG2 GLU 121 1HG GLU 121 7.402 -10.219 8.520 892 HG3 GLU 121 2HG GLU 121 8.698 -11.356 8.152 893 H VAL 122 H VAL 122 6.635 -9.234 5.111 894 HA VAL 122 HA VAL 122 4.995 -11.411 5.978 895 HB VAL 122 HB VAL 122 4.370 -9.035 4.223 896 HG11 VAL 122 1HG1 VAL 122 1.963 -9.721 4.983 897 HG12 VAL 122 2HG1 VAL 122 2.709 -10.496 3.584 898 HG13 VAL 122 3HG1 VAL 122 2.687 -11.321 5.143 899 HG21 VAL 122 1HG2 VAL 122 4.470 -9.495 7.106 900 HG22 VAL 122 2HG2 VAL 122 4.486 -7.983 6.197 901 HG23 VAL 122 3HG2 VAL 122 2.955 -8.781 6.553 902 H SER 123 H SER 123 6.403 -10.400 2.923 903 HA SER 123 HA SER 123 4.967 -11.937 1.132 904 HB2 SER 123 1HB SER 123 6.742 -11.639 -0.386 905 HB3 SER 123 2HB SER 123 6.867 -10.248 0.691 906 HG SER 123 HG SER 123 8.531 -11.292 1.786 907 H GLN 124 H GLN 124 7.375 -12.918 3.446 908 HA GLN 124 HA GLN 124 8.144 -15.381 2.414 909 HB2 GLN 124 1HB GLN 124 7.721 -14.693 5.327 910 HB3 GLN 124 2HB GLN 124 8.722 -15.997 4.701 911 HG2 GLN 124 1HG GLN 124 9.186 -13.042 4.382 912 HG3 GLN 124 2HG GLN 124 10.124 -14.171 5.359 913 HE21 GLN 124 1HE2 GLN 124 10.724 -12.380 2.992 914 HE22 GLN 124 2HE2 GLN 124 11.546 -13.416 1.881 915 HA PRO 125 HA PRO 125 4.508 -17.859 2.580 916 HB2 PRO 125 1HB PRO 125 5.673 -20.310 2.621 917 HB3 PRO 125 2HB PRO 125 5.612 -19.300 1.172 918 HG2 PRO 125 1HG PRO 125 7.855 -19.690 3.116 919 HG3 PRO 125 2HG PRO 125 7.908 -19.623 1.345 920 HD2 PRO 125 1HD PRO 125 8.579 -17.513 2.903 921 HD3 PRO 125 2HD PRO 125 7.833 -17.319 1.304 922 H ASP 126 H ASP 126 7.044 -18.183 4.969 923 HA ASP 126 HA ASP 126 5.499 -19.848 6.736 924 HB2 ASP 126 1HB ASP 126 8.044 -18.289 7.240 925 HB3 ASP 126 2HB ASP 126 7.350 -19.493 8.323 926 H TRP 127 H TRP 127 6.235 -16.423 6.429 927 HA TRP 127 HA TRP 127 5.421 -15.423 8.846 928 HB2 TRP 127 1HB TRP 127 6.332 -14.009 7.077 929 HB3 TRP 127 2HB TRP 127 4.882 -14.255 6.107 930 HD1 TRP 127 HD TRP 127 6.318 -12.013 8.715 931 HE1 TRP 127 1HE TRP 127 4.556 -10.295 9.471 932 HE3 TRP 127 3HE TRP 127 2.178 -14.094 6.555 933 HZ2 TRP 127 2HZ TRP 127 1.779 -9.878 9.189 934 HZ3 TRP 127 3HZ TRP 127 0.006 -12.974 6.847 935 HH2 TRP 127 HH TRP 127 -0.187 -10.910 8.137 936 H THR 128 H THR 128 3.526 -15.016 9.874 937 HA THR 128 HA THR 128 1.020 -15.627 8.473 938 HB THR 128 HB THR 128 0.187 -16.805 10.512 939 HG1 THR 128 1HG THR 128 1.601 -16.164 12.093 940 HG21 THR 128 1HG2 THR 128 1.773 -18.857 10.148 941 HG22 THR 128 2HG2 THR 128 2.430 -17.865 8.846 942 HG23 THR 128 3HG2 THR 128 0.723 -18.308 8.843 943 HA PRO 129 HA PRO 129 -0.444 -11.943 10.375 944 HB2 PRO 129 1HB PRO 129 -3.110 -12.457 10.399 945 HB3 PRO 129 2HB PRO 129 -2.220 -12.066 8.923 946 HG2 PRO 129 1HG PRO 129 -3.064 -14.739 9.974 947 HG3 PRO 129 2HG PRO 129 -3.133 -14.116 8.315 948 HD2 PRO 129 1HD PRO 129 -1.180 -15.788 9.163 949 HD3 PRO 129 2HD PRO 129 -0.902 -14.545 7.927 950 HA PRO 130 HA PRO 130 -0.634 -13.118 14.678 951 HB2 PRO 130 1HB PRO 130 -0.667 -10.586 15.658 952 HB3 PRO 130 2HB PRO 130 0.803 -11.366 15.060 953 HG2 PRO 130 1HG PRO 130 -1.001 -9.414 13.681 954 HG3 PRO 130 2HG PRO 130 0.771 -9.472 13.711 955 HD2 PRO 130 1HD PRO 130 -0.682 -10.391 11.619 956 HD3 PRO 130 2HD PRO 130 0.870 -11.111 12.093 957 HA PRO 131 HA PRO 131 -4.841 -12.770 15.910 958 HB2 PRO 131 1HB PRO 131 -4.656 -12.342 18.585 959 HB3 PRO 131 2HB PRO 131 -4.284 -13.898 17.833 960 HG2 PRO 131 1HG PRO 131 -2.420 -11.731 18.721 961 HG3 PRO 131 2HG PRO 131 -2.274 -13.486 18.926 962 HD2 PRO 131 1HD PRO 131 -0.942 -12.128 16.999 963 HD3 PRO 131 2HD PRO 131 -1.500 -13.798 16.777 964 H GLU 132 H GLU 132 -6.170 -11.330 17.717 965 HA GLU 132 HA GLU 132 -7.185 -9.321 18.049 966 HB2 GLU 132 1HB GLU 132 -4.832 -8.991 19.094 967 HB3 GLU 132 2HB GLU 132 -4.520 -7.984 17.687 968 HG2 GLU 132 1HG GLU 132 -5.214 -6.643 19.583 969 HG3 GLU 132 2HG GLU 132 -6.398 -6.552 18.280 970 H VAL 133 H VAL 133 -7.523 -10.163 15.533 971 HA VAL 133 HA VAL 133 -6.627 -8.441 13.490 972 HB VAL 133 HB VAL 133 -7.559 -10.642 12.994 973 HG11 VAL 133 1HG1 VAL 133 -10.273 -10.432 12.997 974 HG12 VAL 133 2HG1 VAL 133 -9.324 -11.233 14.250 975 HG13 VAL 133 3HG1 VAL 133 -9.850 -9.564 14.472 976 HG21 VAL 133 1HG2 VAL 133 -8.949 -8.265 11.792 977 HG22 VAL 133 2HG2 VAL 133 -7.590 -9.185 11.148 978 HG23 VAL 133 3HG2 VAL 133 -9.201 -9.903 11.189 979 H THR 134 H THR 134 -7.611 -6.704 12.461 980 HA THR 134 HA THR 134 -9.396 -5.150 14.158 981 HB THR 134 HB THR 134 -8.031 -4.366 11.574 982 HG1 THR 134 1HG THR 134 -7.349 -3.618 14.235 983 HG21 THR 134 1HG2 THR 134 -9.584 -2.725 11.665 984 HG22 THR 134 2HG2 THR 134 -8.521 -2.058 12.904 985 HG23 THR 134 3HG2 THR 134 -9.932 -3.007 13.370 986 H SER 135 H SER 135 -9.299 -6.458 10.863 987 HA SER 135 HA SER 135 -12.214 -6.459 10.817 988 HB2 SER 135 1HB SER 135 -11.869 -4.380 9.744 989 HB3 SER 135 2HB SER 135 -10.478 -4.982 8.842 990 HG SER 135 HG SER 135 -13.193 -5.730 8.483 991 H GLY 136 H GLY 136 -13.076 -8.141 9.690 992 HA2 GLY 136 1HA GLY 136 -11.248 -9.764 8.046 993 HA3 GLY 136 2HA GLY 136 -12.175 -10.522 9.332 994 HA PRO 137 HA PRO 137 -15.223 -9.107 5.810 995 HB2 PRO 137 1HB PRO 137 -14.057 -8.830 3.374 996 HB3 PRO 137 2HB PRO 137 -14.250 -7.485 4.505 997 HG2 PRO 137 1HG PRO 137 -11.840 -9.177 3.968 998 HG3 PRO 137 2HG PRO 137 -11.948 -7.421 4.188 999 HD2 PRO 137 1HD PRO 137 -11.139 -9.090 6.161 1000 HD3 PRO 137 2HD PRO 137 -12.028 -7.587 6.485 1001 H SER 138 H SER 138 -15.813 -11.281 6.187 1002 HA SER 138 HA SER 138 -15.910 -13.557 5.811 1003 HB2 SER 138 1HB SER 138 -17.207 -12.217 3.944 1004 HB3 SER 138 2HB SER 138 -15.965 -12.896 2.892 1005 HG SER 138 HG SER 138 -16.700 -14.892 3.277 1006 H SER 139 H SER 139 -13.252 -12.849 6.136 1007 HA SER 139 HA SER 139 -11.451 -13.471 4.151 1008 HB2 SER 139 1HB SER 139 -10.996 -12.683 6.550 1009 HB3 SER 139 2HB SER 139 -11.060 -14.388 6.997 1010 HG SER 139 HG SER 139 -8.939 -13.868 6.554 1011 H GLY 140 H GLY 140 -11.860 -15.144 2.796 1012 HA2 GLY 140 1HA GLY 140 -10.997 -17.609 2.970 1013 HA3 GLY 140 2HA GLY 140 -12.454 -17.777 3.938 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -10.572 -12.282 -38.135 2 HA2 GLY 1 1HA GLY 1 -9.525 -10.039 -39.230 3 HA3 GLY 1 2HA GLY 1 -9.700 -9.593 -37.539 4 H SER 2 H SER 2 -7.268 -9.880 -39.130 5 HA SER 2 HA SER 2 -5.890 -12.248 -38.621 6 HB2 SER 2 1HB SER 2 -5.260 -10.080 -40.012 7 HB3 SER 2 2HB SER 2 -4.406 -9.656 -38.528 8 HG SER 2 HG SER 2 -3.475 -11.146 -40.387 9 H SER 3 H SER 3 -6.066 -9.274 -36.689 10 HA SER 3 HA SER 3 -4.305 -9.924 -34.665 11 HB2 SER 3 1HB SER 3 -5.329 -7.717 -34.833 12 HB3 SER 3 2HB SER 3 -6.912 -8.396 -34.452 13 HG SER 3 HG SER 3 -5.343 -7.411 -32.730 14 H GLY 4 H GLY 4 -7.840 -10.444 -34.606 15 HA2 GLY 4 1HA GLY 4 -8.459 -12.807 -33.960 16 HA3 GLY 4 2HA GLY 4 -7.376 -12.560 -32.598 17 H SER 5 H SER 5 -9.331 -13.159 -31.369 18 HA SER 5 HA SER 5 -11.398 -11.109 -31.235 19 HB2 SER 5 1HB SER 5 -12.232 -13.354 -31.185 20 HB3 SER 5 2HB SER 5 -11.103 -13.810 -29.910 21 HG SER 5 HG SER 5 -12.415 -13.007 -28.474 22 H SER 6 H SER 6 -9.044 -12.669 -29.075 23 HA SER 6 HA SER 6 -9.576 -11.195 -26.775 24 HB2 SER 6 1HB SER 6 -7.973 -13.235 -27.203 25 HB3 SER 6 2HB SER 6 -6.759 -11.977 -27.438 26 HG SER 6 HG SER 6 -7.331 -12.940 -25.189 27 H GLY 7 H GLY 7 -8.187 -9.522 -25.770 28 HA2 GLY 7 1HA GLY 7 -6.447 -7.803 -26.271 29 HA3 GLY 7 2HA GLY 7 -7.277 -7.578 -27.803 30 H ASP 8 H ASP 8 -7.638 -5.384 -27.410 31 HA ASP 8 HA ASP 8 -8.555 -3.523 -26.405 32 HB2 ASP 8 1HB ASP 8 -11.116 -3.918 -26.112 33 HB3 ASP 8 2HB ASP 8 -10.407 -4.016 -27.722 34 H ASP 9 H ASP 9 -7.189 -4.942 -24.476 35 HA ASP 9 HA ASP 9 -8.368 -5.858 -22.228 36 HB2 ASP 9 1HB ASP 9 -5.947 -5.599 -22.433 37 HB3 ASP 9 2HB ASP 9 -6.109 -3.847 -22.333 38 H ASP 10 H ASP 10 -9.529 -5.107 -20.525 39 HA ASP 10 HA ASP 10 -10.598 -2.391 -20.781 40 HB2 ASP 10 1HB ASP 10 -11.607 -4.939 -19.613 41 HB3 ASP 10 2HB ASP 10 -12.154 -3.433 -18.882 42 H LEU 11 H LEU 11 -9.540 -4.595 -18.182 43 HA LEU 11 HA LEU 11 -9.080 -2.327 -16.423 44 HB2 LEU 11 1HB LEU 11 -8.579 -5.247 -15.885 45 HB3 LEU 11 2HB LEU 11 -8.687 -3.948 -14.700 46 HG LEU 11 HG LEU 11 -10.992 -4.870 -16.412 47 HD11 LEU 11 1HD1 LEU 11 -10.643 -6.718 -15.076 48 HD12 LEU 11 2HD1 LEU 11 -11.748 -5.759 -14.093 49 HD13 LEU 11 3HD1 LEU 11 -10.022 -5.761 -13.731 50 HD21 LEU 11 1HD2 LEU 11 -10.561 -2.645 -14.619 51 HD22 LEU 11 2HD2 LEU 11 -11.890 -3.667 -14.071 52 HD23 LEU 11 3HD2 LEU 11 -11.918 -2.979 -15.695 53 H GLU 12 H GLU 12 -7.327 -1.311 -17.448 54 HA GLU 12 HA GLU 12 -4.839 -2.825 -17.690 55 HB2 GLU 12 1HB GLU 12 -5.840 -1.083 -19.406 56 HB3 GLU 12 2HB GLU 12 -5.037 0.079 -18.359 57 HG2 GLU 12 1HG GLU 12 -2.945 -1.333 -18.666 58 HG3 GLU 12 2HG GLU 12 -3.814 -2.130 -19.975 59 H VAL 13 H VAL 13 -2.838 -1.916 -16.837 60 HA VAL 13 HA VAL 13 -3.199 -0.177 -14.498 61 HB VAL 13 HB VAL 13 -1.644 -2.768 -14.481 62 HG11 VAL 13 1HG1 VAL 13 -1.216 -2.266 -12.125 63 HG12 VAL 13 2HG1 VAL 13 -0.535 -1.027 -13.181 64 HG13 VAL 13 3HG1 VAL 13 -2.035 -0.714 -12.305 65 HG21 VAL 13 1HG2 VAL 13 -3.364 -3.762 -13.422 66 HG22 VAL 13 2HG2 VAL 13 -3.788 -2.306 -12.522 67 HG23 VAL 13 3HG2 VAL 13 -4.325 -2.499 -14.191 68 H LYS 14 H LYS 14 -1.755 1.413 -14.421 69 HA LYS 14 HA LYS 14 0.523 1.321 -16.254 70 HB2 LYS 14 1HB LYS 14 0.603 3.687 -16.100 71 HB3 LYS 14 2HB LYS 14 -1.099 3.264 -16.229 72 HG2 LYS 14 1HG LYS 14 -1.573 3.931 -14.106 73 HG3 LYS 14 2HG LYS 14 0.046 3.559 -13.509 74 HD2 LYS 14 1HD LYS 14 -0.490 5.999 -13.603 75 HD3 LYS 14 2HD LYS 14 0.947 5.531 -14.516 76 HE2 LYS 14 1HE LYS 14 -1.664 5.578 -15.936 77 HE3 LYS 14 2HE LYS 14 -0.911 7.121 -15.538 78 HZ1 LYS 14 1HZ LYS 14 -0.241 5.284 -17.590 79 HZ2 LYS 14 2HZ LYS 14 1.097 5.554 -16.591 80 HZ3 LYS 14 3HZ LYS 14 0.325 6.859 -17.342 81 H GLU 15 H GLU 15 2.358 2.926 -15.208 82 HA GLU 15 HA GLU 15 2.904 2.237 -12.449 83 HB2 GLU 15 1HB GLU 15 4.939 1.053 -12.832 84 HB3 GLU 15 2HB GLU 15 3.698 0.277 -13.806 85 HG2 GLU 15 1HG GLU 15 5.366 2.396 -15.056 86 HG3 GLU 15 2HG GLU 15 6.076 0.806 -14.781 87 H GLU 16 H GLU 16 4.576 3.478 -11.519 88 HA GLU 16 HA GLU 16 5.687 5.605 -13.214 89 HB2 GLU 16 1HB GLU 16 4.252 5.941 -10.583 90 HB3 GLU 16 2HB GLU 16 5.306 7.176 -11.255 91 HG2 GLU 16 1HG GLU 16 3.801 6.943 -13.358 92 HG3 GLU 16 2HG GLU 16 2.657 6.216 -12.231 93 H ASN 17 H ASN 17 7.795 5.104 -13.188 94 HA ASN 17 HA ASN 17 9.898 4.660 -12.439 95 HB2 ASN 17 1HB ASN 17 8.700 6.398 -10.341 96 HB3 ASN 17 2HB ASN 17 10.223 5.601 -9.955 97 HD21 ASN 17 1HD2 ASN 17 11.867 6.898 -10.266 98 HD22 ASN 17 2HD2 ASN 17 12.048 8.031 -11.557 99 H GLY 18 H GLY 18 7.875 2.627 -12.038 100 HA2 GLY 18 1HA GLY 18 8.329 0.425 -11.238 101 HA3 GLY 18 2HA GLY 18 9.241 1.130 -9.912 102 H VAL 19 H VAL 19 6.760 3.080 -9.854 103 HA VAL 19 HA VAL 19 5.369 1.527 -7.825 104 HB VAL 19 HB VAL 19 4.930 4.402 -8.640 105 HG11 VAL 19 1HG1 VAL 19 3.995 4.460 -6.248 106 HG12 VAL 19 2HG1 VAL 19 3.003 3.725 -7.510 107 HG13 VAL 19 3HG1 VAL 19 3.906 2.704 -6.390 108 HG21 VAL 19 1HG2 VAL 19 6.420 3.478 -6.205 109 HG22 VAL 19 2HG2 VAL 19 7.241 3.748 -7.742 110 HG23 VAL 19 3HG2 VAL 19 6.397 5.077 -6.947 111 H TRP 20 H TRP 20 3.929 0.138 -8.679 112 HA TRP 20 HA TRP 20 2.432 0.641 -11.039 113 HB2 TRP 20 1HB TRP 20 1.970 -1.392 -8.845 114 HB3 TRP 20 2HB TRP 20 1.185 -1.401 -10.422 115 HD1 TRP 20 HD TRP 20 4.330 -2.478 -8.671 116 HE1 TRP 20 1HE TRP 20 5.887 -3.665 -10.342 117 HE3 TRP 20 3HE TRP 20 1.895 -1.317 -13.013 118 HZ2 TRP 20 2HZ TRP 20 6.060 -4.056 -13.133 119 HZ3 TRP 20 3HZ TRP 20 2.822 -2.135 -15.141 120 HH2 TRP 20 HH TRP 20 4.861 -3.476 -15.197 121 H VAL 21 H VAL 21 0.556 1.666 -11.325 122 HA VAL 21 HA VAL 21 -0.757 2.837 -9.004 123 HB VAL 21 HB VAL 21 -1.279 3.270 -11.949 124 HG11 VAL 21 1HG1 VAL 21 -2.245 5.461 -10.672 125 HG12 VAL 21 2HG1 VAL 21 -3.226 4.079 -11.165 126 HG13 VAL 21 3HG1 VAL 21 -2.628 4.192 -9.509 127 HG21 VAL 21 1HG2 VAL 21 -0.068 5.334 -11.712 128 HG22 VAL 21 2HG2 VAL 21 0.155 5.055 -9.985 129 HG23 VAL 21 3HG2 VAL 21 0.957 4.010 -11.158 130 H LEU 22 H LEU 22 -2.252 1.637 -8.029 131 HA LEU 22 HA LEU 22 -3.977 -0.092 -9.661 132 HB2 LEU 22 1HB LEU 22 -3.415 -0.112 -6.700 133 HB3 LEU 22 2HB LEU 22 -4.532 -1.201 -7.520 134 HG LEU 22 HG LEU 22 -1.535 -1.094 -7.838 135 HD11 LEU 22 1HD1 LEU 22 -2.195 -2.204 -5.818 136 HD12 LEU 22 2HD1 LEU 22 -1.702 -3.423 -6.993 137 HD13 LEU 22 3HD1 LEU 22 -3.414 -3.144 -6.679 138 HD21 LEU 22 1HD2 LEU 22 -3.600 -2.723 -9.311 139 HD22 LEU 22 2HD2 LEU 22 -1.869 -3.060 -9.326 140 HD23 LEU 22 3HD2 LEU 22 -2.479 -1.546 -9.996 141 H ASN 23 H ASN 23 -6.260 -0.270 -8.977 142 HA ASN 23 HA ASN 23 -7.391 1.919 -7.478 143 HB2 ASN 23 1HB ASN 23 -8.934 2.349 -9.605 144 HB3 ASN 23 2HB ASN 23 -7.427 3.227 -9.361 145 HD21 ASN 23 1HD2 ASN 23 -8.951 0.581 -11.068 146 HD22 ASN 23 2HD2 ASN 23 -7.797 0.494 -12.352 147 H ASP 24 H ASP 24 -9.819 1.761 -7.430 148 HA ASP 24 HA ASP 24 -10.630 -0.770 -6.628 149 HB2 ASP 24 1HB ASP 24 -12.785 0.128 -6.356 150 HB3 ASP 24 2HB ASP 24 -11.715 1.513 -6.158 151 H GLY 25 H GLY 25 -10.194 0.406 -9.771 152 HA2 GLY 25 1HA GLY 25 -12.135 -1.398 -10.985 153 HA3 GLY 25 2HA GLY 25 -11.099 -0.258 -11.832 154 H ASN 26 H ASN 26 -8.660 -1.146 -10.532 155 HA ASN 26 HA ASN 26 -8.374 -3.784 -11.815 156 HB2 ASN 26 1HB ASN 26 -6.196 -3.190 -12.568 157 HB3 ASN 26 2HB ASN 26 -7.241 -1.833 -12.978 158 HD21 ASN 26 1HD2 ASN 26 -6.032 -0.080 -12.830 159 HD22 ASN 26 2HD2 ASN 26 -5.034 0.348 -11.487 160 H PHE 27 H PHE 27 -8.777 -2.676 -8.929 161 HA PHE 27 HA PHE 27 -6.507 -3.262 -7.410 162 HB2 PHE 27 1HB PHE 27 -8.619 -2.110 -6.624 163 HB3 PHE 27 2HB PHE 27 -9.356 -3.705 -6.511 164 HD1 PHE 27 1HD PHE 27 -6.588 -1.612 -5.224 165 HD2 PHE 27 2HD PHE 27 -9.007 -5.065 -4.637 166 HE1 PHE 27 1HE PHE 27 -5.661 -1.873 -2.960 167 HE2 PHE 27 2HE PHE 27 -8.085 -5.330 -2.372 168 HZ PHE 27 HZ PHE 27 -6.410 -3.733 -1.530 169 H ASP 28 H ASP 28 -9.400 -5.330 -7.688 170 HA ASP 28 HA ASP 28 -8.144 -7.629 -6.662 171 HB2 ASP 28 1HB ASP 28 -10.683 -7.047 -7.015 172 HB3 ASP 28 2HB ASP 28 -10.443 -7.843 -8.567 173 H ASN 29 H ASN 29 -8.831 -6.640 -10.005 174 HA ASN 29 HA ASN 29 -7.948 -8.846 -11.377 175 HB2 ASN 29 1HB ASN 29 -8.965 -6.875 -12.451 176 HB3 ASN 29 2HB ASN 29 -7.494 -5.955 -12.148 177 HD21 ASN 29 1HD2 ASN 29 -9.131 -7.902 -14.312 178 HD22 ASN 29 2HD2 ASN 29 -7.832 -8.232 -15.403 179 H PHE 30 H PHE 30 -6.066 -6.479 -9.662 180 HA PHE 30 HA PHE 30 -3.557 -7.368 -10.809 181 HB2 PHE 30 1HB PHE 30 -4.067 -4.972 -10.096 182 HB3 PHE 30 2HB PHE 30 -3.906 -5.538 -8.437 183 HD1 PHE 30 1HD PHE 30 -2.121 -5.036 -11.619 184 HD2 PHE 30 2HD PHE 30 -1.779 -5.942 -7.475 185 HE1 PHE 30 1HE PHE 30 0.314 -4.713 -11.754 186 HE2 PHE 30 2HE PHE 30 0.657 -5.619 -7.602 187 HZ PHE 30 HZ PHE 30 1.706 -5.003 -9.743 188 H VAL 31 H VAL 31 -4.866 -7.206 -7.492 189 HA VAL 31 HA VAL 31 -2.910 -8.935 -6.398 190 HB VAL 31 HB VAL 31 -4.251 -8.973 -4.396 191 HG11 VAL 31 1HG1 VAL 31 -3.937 -6.401 -5.855 192 HG12 VAL 31 2HG1 VAL 31 -4.820 -6.395 -4.327 193 HG13 VAL 31 3HG1 VAL 31 -3.153 -6.968 -4.381 194 HG21 VAL 31 1HG2 VAL 31 -6.483 -8.695 -4.296 195 HG22 VAL 31 2HG2 VAL 31 -6.480 -7.390 -5.482 196 HG23 VAL 31 3HG2 VAL 31 -6.415 -9.069 -6.018 197 H ALA 32 H ALA 32 -5.429 -9.596 -8.461 198 HA ALA 32 HA ALA 32 -6.547 -11.959 -7.485 199 HB1 ALA 32 1HB ALA 32 -7.006 -12.477 -9.890 200 HB2 ALA 32 2HB ALA 32 -7.540 -10.880 -9.364 201 HB3 ALA 32 3HB ALA 32 -6.064 -11.048 -10.314 202 H ASP 33 H ASP 33 -3.602 -11.426 -9.371 203 HA ASP 33 HA ASP 33 -2.879 -14.243 -8.894 204 HB2 ASP 33 1HB ASP 33 -3.234 -13.648 -11.297 205 HB3 ASP 33 2HB ASP 33 -1.915 -12.489 -11.161 206 H LYS 34 H LYS 34 -2.376 -12.456 -6.904 207 HA LYS 34 HA LYS 34 0.535 -12.448 -6.869 208 HB2 LYS 34 1HB LYS 34 -1.160 -9.980 -6.527 209 HB3 LYS 34 2HB LYS 34 0.467 -10.093 -5.869 210 HG2 LYS 34 1HG LYS 34 1.239 -10.634 -8.213 211 HG3 LYS 34 2HG LYS 34 -0.375 -10.162 -8.751 212 HD2 LYS 34 1HD LYS 34 -0.063 -7.944 -8.160 213 HD3 LYS 34 2HD LYS 34 1.218 -8.326 -7.007 214 HE2 LYS 34 1HE LYS 34 1.548 -8.763 -9.961 215 HE3 LYS 34 2HE LYS 34 1.898 -7.210 -9.203 216 HZ1 LYS 34 1HZ LYS 34 3.933 -8.210 -9.117 217 HZ2 LYS 34 2HZ LYS 34 3.305 -9.769 -8.930 218 HZ3 LYS 34 3HZ LYS 34 3.315 -8.700 -7.620 219 H ASP 35 H ASP 35 1.037 -13.542 -5.098 220 HA ASP 35 HA ASP 35 -0.714 -14.063 -2.972 221 HB2 ASP 35 1HB ASP 35 2.260 -14.143 -2.595 222 HB3 ASP 35 2HB ASP 35 1.032 -15.254 -1.996 223 H THR 36 H THR 36 1.978 -11.761 -3.230 224 HA THR 36 HA THR 36 0.867 -10.343 -0.896 225 HB THR 36 HB THR 36 3.798 -10.484 -1.626 226 HG1 THR 36 1HG THR 36 3.047 -12.490 -0.816 227 HG21 THR 36 1HG2 THR 36 2.213 -9.019 0.409 228 HG22 THR 36 2HG2 THR 36 3.703 -8.558 -0.414 229 HG23 THR 36 3HG2 THR 36 3.755 -9.699 0.929 230 H VAL 37 H VAL 37 0.238 -8.334 -1.309 231 HA VAL 37 HA VAL 37 1.553 -6.847 -3.481 232 HB VAL 37 HB VAL 37 -1.425 -6.974 -2.986 233 HG11 VAL 37 1HG1 VAL 37 0.169 -4.896 -4.102 234 HG12 VAL 37 2HG1 VAL 37 -0.791 -5.624 -5.392 235 HG13 VAL 37 3HG1 VAL 37 -1.586 -4.983 -3.953 236 HG21 VAL 37 1HG2 VAL 37 -0.177 -7.617 -5.602 237 HG22 VAL 37 2HG2 VAL 37 -0.041 -8.809 -4.309 238 HG23 VAL 37 3HG2 VAL 37 -1.632 -8.272 -4.850 239 H LEU 38 H LEU 38 2.407 -5.042 -2.708 240 HA LEU 38 HA LEU 38 1.518 -3.965 -0.167 241 HB2 LEU 38 1HB LEU 38 3.858 -4.061 -0.416 242 HB3 LEU 38 2HB LEU 38 3.794 -3.339 -2.022 243 HG LEU 38 HG LEU 38 2.944 -1.232 -0.815 244 HD11 LEU 38 1HD1 LEU 38 3.642 -2.996 1.441 245 HD12 LEU 38 2HD1 LEU 38 2.495 -1.660 1.353 246 HD13 LEU 38 3HD1 LEU 38 4.217 -1.332 1.548 247 HD21 LEU 38 1HD2 LEU 38 5.515 -1.009 0.060 248 HD22 LEU 38 2HD2 LEU 38 4.988 -0.766 -1.606 249 HD23 LEU 38 3HD2 LEU 38 5.645 -2.326 -1.107 250 H LEU 39 H LEU 39 0.157 -2.319 0.065 251 HA LEU 39 HA LEU 39 -0.326 -0.563 -2.252 252 HB2 LEU 39 1HB LEU 39 -2.364 -1.331 -0.174 253 HB3 LEU 39 2HB LEU 39 -2.638 -0.414 -1.654 254 HG LEU 39 HG LEU 39 -1.651 -3.234 -1.810 255 HD11 LEU 39 1HD1 LEU 39 -3.462 -3.942 -0.713 256 HD12 LEU 39 2HD1 LEU 39 -4.356 -3.453 -2.152 257 HD13 LEU 39 3HD1 LEU 39 -4.235 -2.358 -0.775 258 HD21 LEU 39 1HD2 LEU 39 -2.259 -1.262 -3.662 259 HD22 LEU 39 2HD2 LEU 39 -3.660 -2.334 -3.691 260 HD23 LEU 39 3HD2 LEU 39 -2.046 -2.983 -3.985 261 H GLU 40 H GLU 40 -0.326 1.597 -1.903 262 HA GLU 40 HA GLU 40 -0.123 2.533 0.880 263 HB2 GLU 40 1HB GLU 40 2.103 2.474 -0.273 264 HB3 GLU 40 2HB GLU 40 1.475 3.634 -1.435 265 HG2 GLU 40 1HG GLU 40 1.191 5.287 0.281 266 HG3 GLU 40 2HG GLU 40 1.637 4.123 1.529 267 H PHE 41 H PHE 41 -1.518 4.088 1.384 268 HA PHE 41 HA PHE 41 -3.057 5.333 -0.766 269 HB2 PHE 41 1HB PHE 41 -3.540 5.376 2.220 270 HB3 PHE 41 2HB PHE 41 -4.640 5.971 0.981 271 HD1 PHE 41 2HD PHE 41 -2.958 2.899 2.205 272 HD2 PHE 41 1HD PHE 41 -6.209 4.553 0.011 273 HE1 PHE 41 2HE PHE 41 -3.990 0.670 2.061 274 HE2 PHE 41 1HE PHE 41 -7.247 2.326 -0.136 275 HZ PHE 41 HZ PHE 41 -6.137 0.381 0.889 276 H TYR 42 H TYR 42 -3.149 7.511 -1.116 277 HA TYR 42 HA TYR 42 -1.684 9.301 0.665 278 HB2 TYR 42 1HB TYR 42 -0.250 10.170 -0.995 279 HB3 TYR 42 2HB TYR 42 -0.151 8.423 -1.186 280 HD1 TYR 42 2HD TYR 42 -1.733 11.477 -2.579 281 HD2 TYR 42 1HD TYR 42 -0.698 7.403 -3.236 282 HE1 TYR 42 2HE TYR 42 -2.348 11.709 -4.948 283 HE2 TYR 42 1HE TYR 42 -1.310 7.624 -5.608 284 HH TYR 42 HH TYR 42 -2.743 9.055 -7.014 285 H ALA 43 H ALA 43 -1.892 11.640 -0.234 286 HA ALA 43 HA ALA 43 -4.517 12.025 -1.495 287 HB1 ALA 43 1HB ALA 43 -4.757 12.186 0.967 288 HB2 ALA 43 2HB ALA 43 -3.613 13.529 0.956 289 HB3 ALA 43 3HB ALA 43 -5.161 13.682 0.124 290 HA PRO 44 HA PRO 44 -2.307 14.942 -3.956 291 HB2 PRO 44 1HB PRO 44 -4.429 16.318 -4.943 292 HB3 PRO 44 2HB PRO 44 -4.000 14.693 -5.489 293 HG2 PRO 44 1HG PRO 44 -6.088 15.538 -3.518 294 HG3 PRO 44 2HG PRO 44 -6.192 14.325 -4.807 295 HD2 PRO 44 1HD PRO 44 -5.789 13.663 -2.212 296 HD3 PRO 44 2HD PRO 44 -5.112 12.719 -3.555 297 H TRP 45 H TRP 45 -4.673 15.982 -1.577 298 HA TRP 45 HA TRP 45 -3.734 18.726 -1.629 299 HB2 TRP 45 1HB TRP 45 -5.361 18.782 0.450 300 HB3 TRP 45 2HB TRP 45 -5.996 18.736 -1.193 301 HD1 TRP 45 HD TRP 45 -7.459 16.684 -1.861 302 HE1 TRP 45 1HE TRP 45 -8.311 14.607 -0.603 303 HE3 TRP 45 3HE TRP 45 -4.606 17.067 2.364 304 HZ2 TRP 45 2HZ TRP 45 -7.837 13.304 1.856 305 HZ3 TRP 45 3HZ TRP 45 -4.866 15.365 4.121 306 HH2 TRP 45 HH TRP 45 -6.450 13.523 3.870 307 H CYS 46 H CYS 46 -2.574 15.938 -0.350 308 HA CYS 46 HA CYS 46 -1.599 17.170 2.125 309 HB2 CYS 46 1HB CYS 46 -2.651 14.864 2.137 310 HB3 CYS 46 2HB CYS 46 -1.240 14.303 1.247 311 HG CYS 46 HG CYS 46 -0.331 15.966 3.959 312 H GLY 47 H GLY 47 -0.038 18.557 1.255 313 HA2 GLY 47 1HA GLY 47 1.901 17.891 -0.638 314 HA3 GLY 47 2HA GLY 47 2.076 19.142 0.583 315 H HIS 48 H HIS 48 1.680 17.013 2.700 316 HA HIS 48 HA HIS 48 4.332 16.591 3.376 317 HB2 HIS 48 1HB HIS 48 2.060 16.238 4.703 318 HB3 HIS 48 2HB HIS 48 2.314 14.563 4.224 319 HD1 HIS 48 1HD HIS 48 2.930 13.621 6.479 320 HD2 HIS 48 2HD HIS 48 5.235 16.912 5.421 321 HE1 HIS 48 1HE HIS 48 4.759 13.743 8.201 322 HE2 HIS 48 2HE HIS 48 6.091 15.791 7.589 323 H CYS 49 H CYS 49 2.116 14.473 1.608 324 HA CYS 49 HA CYS 49 3.822 12.245 1.429 325 HB2 CYS 49 1HB CYS 49 1.414 12.128 0.951 326 HB3 CYS 49 2HB CYS 49 1.645 13.132 -0.476 327 HG CYS 49 HG CYS 49 1.617 10.979 -1.905 328 H LYS 50 H LYS 50 3.914 15.286 -0.117 329 HA LYS 50 HA LYS 50 5.100 14.663 -2.570 330 HB2 LYS 50 1HB LYS 50 5.651 17.104 -0.876 331 HB3 LYS 50 2HB LYS 50 5.867 16.961 -2.616 332 HG2 LYS 50 1HG LYS 50 3.176 16.538 -1.385 333 HG3 LYS 50 2HG LYS 50 3.781 18.167 -1.694 334 HD2 LYS 50 1HD LYS 50 4.281 17.221 -4.075 335 HD3 LYS 50 2HD LYS 50 3.089 15.997 -3.631 336 HE2 LYS 50 1HE LYS 50 1.919 17.725 -4.765 337 HE3 LYS 50 2HE LYS 50 1.525 17.875 -3.054 338 HZ1 LYS 50 1HZ LYS 50 2.107 19.984 -4.326 339 HZ2 LYS 50 2HZ LYS 50 3.710 19.448 -4.270 340 HZ3 LYS 50 3HZ LYS 50 2.868 19.746 -2.834 341 H GLN 51 H GLN 51 6.626 15.456 0.546 342 HA GLN 51 HA GLN 51 9.282 15.131 -0.359 343 HB2 GLN 51 1HB GLN 51 7.949 15.307 2.302 344 HB3 GLN 51 2HB GLN 51 9.601 14.707 2.242 345 HG2 GLN 51 1HG GLN 51 9.554 17.089 2.682 346 HG3 GLN 51 2HG GLN 51 10.316 16.750 1.129 347 HE21 GLN 51 1HE2 GLN 51 7.514 18.051 2.729 348 HE22 GLN 51 2HE2 GLN 51 6.867 18.880 1.359 349 H PHE 52 H PHE 52 6.841 12.887 0.554 350 HA PHE 52 HA PHE 52 8.777 10.722 0.901 351 HB2 PHE 52 1HB PHE 52 6.851 10.988 2.493 352 HB3 PHE 52 2HB PHE 52 5.768 10.598 1.161 353 HD1 PHE 52 1HD PHE 52 8.975 9.165 2.426 354 HD2 PHE 52 2HD PHE 52 4.913 8.485 1.351 355 HE1 PHE 52 1HE PHE 52 9.252 6.768 2.910 356 HE2 PHE 52 2HE PHE 52 5.183 6.088 1.834 357 HZ PHE 52 HZ PHE 52 7.354 5.226 2.615 358 H ALA 53 H ALA 53 6.688 12.074 -1.443 359 HA ALA 53 HA ALA 53 5.843 10.000 -3.003 360 HB1 ALA 53 1HB ALA 53 6.883 11.940 -4.786 361 HB2 ALA 53 2HB ALA 53 5.213 11.710 -4.265 362 HB3 ALA 53 3HB ALA 53 6.279 12.786 -3.360 363 HA PRO 54 HA PRO 54 10.064 9.777 -5.329 364 HB2 PRO 54 1HB PRO 54 12.136 11.210 -4.319 365 HB3 PRO 54 2HB PRO 54 11.004 11.865 -5.508 366 HG2 PRO 54 1HG PRO 54 11.059 12.238 -2.538 367 HG3 PRO 54 2HG PRO 54 10.765 13.437 -3.811 368 HD2 PRO 54 1HD PRO 54 8.761 12.309 -2.382 369 HD3 PRO 54 2HD PRO 54 8.566 12.802 -4.076 370 H GLU 55 H GLU 55 9.761 9.797 -1.905 371 HA GLU 55 HA GLU 55 12.088 8.164 -1.403 372 HB2 GLU 55 1HB GLU 55 11.038 9.855 0.213 373 HB3 GLU 55 2HB GLU 55 9.806 8.635 0.506 374 HG2 GLU 55 1HG GLU 55 11.593 7.065 1.194 375 HG3 GLU 55 2HG GLU 55 12.760 8.374 1.016 376 H TYR 56 H TYR 56 8.764 7.678 -2.178 377 HA TYR 56 HA TYR 56 8.650 4.969 -1.194 378 HB2 TYR 56 1HB TYR 56 6.670 6.560 -1.382 379 HB3 TYR 56 2HB TYR 56 6.723 6.270 -3.117 380 HD1 TYR 56 1HD TYR 56 7.155 3.941 -0.231 381 HD2 TYR 56 2HD TYR 56 4.862 4.998 -3.655 382 HE1 TYR 56 1HE TYR 56 5.784 1.921 0.071 383 HE2 TYR 56 2HE TYR 56 3.484 2.982 -3.362 384 HH TYR 56 HH TYR 56 2.957 1.303 -1.941 385 H GLU 57 H GLU 57 8.568 6.471 -4.427 386 HA GLU 57 HA GLU 57 8.551 4.269 -6.027 387 HB2 GLU 57 1HB GLU 57 9.440 5.590 -7.747 388 HB3 GLU 57 2HB GLU 57 8.659 6.748 -6.679 389 HG2 GLU 57 1HG GLU 57 10.976 7.021 -5.612 390 HG3 GLU 57 2HG GLU 57 11.578 6.222 -7.064 391 H LYS 58 H LYS 58 11.217 5.470 -4.115 392 HA LYS 58 HA LYS 58 13.289 3.976 -5.306 393 HB2 LYS 58 1HB LYS 58 12.908 5.281 -2.635 394 HB3 LYS 58 2HB LYS 58 14.301 4.241 -2.905 395 HG2 LYS 58 1HG LYS 58 14.923 5.653 -4.841 396 HG3 LYS 58 2HG LYS 58 13.586 6.732 -4.437 397 HD2 LYS 58 1HD LYS 58 14.636 6.955 -2.144 398 HD3 LYS 58 2HD LYS 58 16.050 6.139 -2.812 399 HE2 LYS 58 1HE LYS 58 16.629 8.339 -3.127 400 HE3 LYS 58 2HE LYS 58 15.853 7.976 -4.668 401 HZ1 LYS 58 1HZ LYS 58 14.068 9.264 -4.180 402 HZ2 LYS 58 2HZ LYS 58 15.221 10.092 -3.261 403 HZ3 LYS 58 3HZ LYS 58 14.167 9.001 -2.512 404 H ILE 59 H ILE 59 11.033 3.244 -2.691 405 HA ILE 59 HA ILE 59 12.192 0.831 -1.844 406 HB ILE 59 HB ILE 59 9.314 1.737 -1.756 407 HG12 ILE 59 1HG1 ILE 59 11.159 1.517 0.594 408 HG13 ILE 59 2HG1 ILE 59 11.277 2.915 -0.469 409 HG21 ILE 59 1HG2 ILE 59 10.624 -0.624 -0.414 410 HG22 ILE 59 2HG2 ILE 59 9.006 -0.023 -0.052 411 HG23 ILE 59 3HG2 ILE 59 9.367 -0.675 -1.650 412 HD11 ILE 59 1HD1 ILE 59 9.498 2.489 1.668 413 HD12 ILE 59 2HD1 ILE 59 9.577 3.865 0.568 414 HD13 ILE 59 3HD1 ILE 59 8.541 2.490 0.187 415 H ALA 60 H ALA 60 9.963 1.572 -4.456 416 HA ALA 60 HA ALA 60 8.980 -0.902 -5.120 417 HB1 ALA 60 1HB ALA 60 8.341 0.020 -7.093 418 HB2 ALA 60 2HB ALA 60 8.772 1.504 -6.241 419 HB3 ALA 60 3HB ALA 60 9.909 0.777 -7.377 420 H SER 61 H SER 61 11.887 0.531 -6.620 421 HA SER 61 HA SER 61 12.753 -1.719 -7.972 422 HB2 SER 61 1HB SER 61 14.834 0.032 -6.753 423 HB3 SER 61 2HB SER 61 14.679 -0.545 -8.412 424 HG SER 61 HG SER 61 14.153 1.810 -7.718 425 H THR 62 H THR 62 13.401 -0.745 -4.638 426 HA THR 62 HA THR 62 15.321 -2.614 -3.943 427 HB THR 62 HB THR 62 13.075 -1.615 -2.181 428 HG1 THR 62 1HG THR 62 14.423 0.084 -1.728 429 HG21 THR 62 1HG2 THR 62 14.527 -2.125 -0.323 430 HG22 THR 62 2HG2 THR 62 15.810 -2.640 -1.418 431 HG23 THR 62 3HG2 THR 62 14.321 -3.578 -1.300 432 H LEU 63 H LEU 63 11.816 -2.931 -3.336 433 HA LEU 63 HA LEU 63 11.974 -5.673 -2.648 434 HB2 LEU 63 1HB LEU 63 9.673 -3.918 -3.469 435 HB3 LEU 63 2HB LEU 63 9.474 -5.604 -2.996 436 HG LEU 63 HG LEU 63 10.659 -3.491 -1.202 437 HD11 LEU 63 1HD1 LEU 63 8.405 -3.714 -0.038 438 HD12 LEU 63 2HD1 LEU 63 7.824 -4.417 -1.547 439 HD13 LEU 63 3HD1 LEU 63 8.452 -2.770 -1.527 440 HD21 LEU 63 1HD2 LEU 63 9.458 -6.140 -0.448 441 HD22 LEU 63 2HD2 LEU 63 10.476 -5.076 0.523 442 HD23 LEU 63 3HD2 LEU 63 11.168 -5.958 -0.839 443 H LYS 64 H LYS 64 11.578 -3.975 -5.661 444 HA LYS 64 HA LYS 64 10.430 -5.812 -7.324 445 HB2 LYS 64 1HB LYS 64 11.399 -3.478 -7.848 446 HB3 LYS 64 2HB LYS 64 12.906 -4.326 -8.168 447 HG2 LYS 64 1HG LYS 64 12.103 -5.328 -10.061 448 HG3 LYS 64 2HG LYS 64 10.427 -5.273 -9.512 449 HD2 LYS 64 1HD LYS 64 10.500 -3.676 -11.209 450 HD3 LYS 64 2HD LYS 64 10.660 -2.719 -9.735 451 HE2 LYS 64 1HE LYS 64 13.046 -2.569 -10.038 452 HE3 LYS 64 2HE LYS 64 12.976 -3.660 -11.420 453 HZ1 LYS 64 1HZ LYS 64 12.521 -1.970 -12.757 454 HZ2 LYS 64 2HZ LYS 64 12.800 -0.912 -11.467 455 HZ3 LYS 64 3HZ LYS 64 11.231 -1.455 -11.791 456 H ASP 65 H ASP 65 13.833 -5.707 -6.324 457 HA ASP 65 HA ASP 65 14.453 -8.137 -7.758 458 HB2 ASP 65 1HB ASP 65 16.233 -6.580 -7.663 459 HB3 ASP 65 2HB ASP 65 16.030 -6.333 -5.931 460 H ASN 66 H ASN 66 13.646 -7.190 -4.495 461 HA ASN 66 HA ASN 66 14.528 -9.207 -2.923 462 HB2 ASN 66 1HB ASN 66 13.090 -7.329 -2.161 463 HB3 ASN 66 2HB ASN 66 11.696 -8.141 -2.868 464 HD21 ASN 66 1HD2 ASN 66 10.731 -9.774 -1.786 465 HD22 ASN 66 2HD2 ASN 66 11.212 -10.312 -0.216 466 H ASP 67 H ASP 67 13.609 -11.215 -2.173 467 HA ASP 67 HA ASP 67 12.031 -12.598 -4.243 468 HB2 ASP 67 1HB ASP 67 14.085 -13.902 -2.453 469 HB3 ASP 67 2HB ASP 67 13.277 -14.605 -3.852 470 HA PRO 68 HA PRO 68 10.591 -13.896 -4.672 471 HB2 PRO 68 1HB PRO 68 7.910 -13.473 -4.764 472 HB3 PRO 68 2HB PRO 68 8.624 -15.018 -4.283 473 HG2 PRO 68 1HG PRO 68 7.552 -12.810 -2.568 474 HG3 PRO 68 2HG PRO 68 7.335 -14.562 -2.401 475 HD2 PRO 68 1HD PRO 68 9.119 -13.167 -0.917 476 HD3 PRO 68 2HD PRO 68 9.397 -14.849 -1.411 477 HA PRO 69 HA PRO 69 10.467 -9.781 -6.216 478 HB2 PRO 69 1HB PRO 69 9.137 -10.058 -8.567 479 HB3 PRO 69 2HB PRO 69 10.784 -10.650 -8.319 480 HG2 PRO 69 1HG PRO 69 8.198 -12.154 -8.231 481 HG3 PRO 69 2HG PRO 69 9.739 -12.622 -8.972 482 HD2 PRO 69 1HD PRO 69 8.935 -13.566 -6.565 483 HD3 PRO 69 2HD PRO 69 10.644 -13.299 -6.963 484 H ILE 70 H ILE 70 9.173 -8.687 -4.723 485 HA ILE 70 HA ILE 70 6.291 -8.751 -4.971 486 HB ILE 70 HB ILE 70 8.086 -7.098 -3.193 487 HG12 ILE 70 1HG1 ILE 70 6.261 -9.382 -2.441 488 HG13 ILE 70 2HG1 ILE 70 7.961 -9.611 -2.836 489 HG21 ILE 70 1HG2 ILE 70 5.106 -7.216 -3.470 490 HG22 ILE 70 2HG2 ILE 70 5.860 -6.783 -1.937 491 HG23 ILE 70 3HG2 ILE 70 6.160 -5.806 -3.374 492 HD11 ILE 70 1HD1 ILE 70 8.362 -7.831 -0.998 493 HD12 ILE 70 2HD1 ILE 70 6.732 -8.263 -0.479 494 HD13 ILE 70 3HD1 ILE 70 7.993 -9.494 -0.541 495 H ALA 71 H ALA 71 4.998 -6.853 -5.332 496 HA ALA 71 HA ALA 71 6.349 -4.816 -6.980 497 HB1 ALA 71 1HB ALA 71 4.946 -5.150 -8.680 498 HB2 ALA 71 2HB ALA 71 4.496 -6.653 -7.873 499 HB3 ALA 71 3HB ALA 71 3.540 -5.194 -7.617 500 H VAL 72 H VAL 72 6.227 -2.851 -6.135 501 HA VAL 72 HA VAL 72 4.317 -2.276 -4.030 502 HB VAL 72 HB VAL 72 6.580 -0.655 -5.196 503 HG11 VAL 72 1HG1 VAL 72 4.374 0.114 -3.394 504 HG12 VAL 72 2HG1 VAL 72 5.991 0.624 -2.905 505 HG13 VAL 72 3HG1 VAL 72 5.353 1.102 -4.479 506 HG21 VAL 72 1HG2 VAL 72 7.054 -1.038 -2.522 507 HG22 VAL 72 2HG2 VAL 72 6.309 -2.563 -3.002 508 HG23 VAL 72 3HG2 VAL 72 7.754 -1.988 -3.833 509 H ALA 73 H ALA 73 2.598 -0.932 -4.160 510 HA ALA 73 HA ALA 73 2.195 0.623 -6.611 511 HB1 ALA 73 1HB ALA 73 1.018 -1.424 -7.048 512 HB2 ALA 73 2HB ALA 73 0.209 -1.343 -5.482 513 HB3 ALA 73 3HB ALA 73 -0.161 -0.151 -6.729 514 H LYS 74 H LYS 74 0.169 2.041 -6.358 515 HA LYS 74 HA LYS 74 -0.256 2.866 -3.581 516 HB2 LYS 74 1HB LYS 74 0.167 5.189 -4.063 517 HB3 LYS 74 2HB LYS 74 1.581 4.253 -4.527 518 HG2 LYS 74 1HG LYS 74 0.816 4.321 -6.872 519 HG3 LYS 74 2HG LYS 74 -0.532 5.345 -6.373 520 HD2 LYS 74 1HD LYS 74 0.834 7.150 -5.922 521 HD3 LYS 74 2HD LYS 74 2.259 6.140 -5.666 522 HE2 LYS 74 1HE LYS 74 2.020 5.578 -8.177 523 HE3 LYS 74 2HE LYS 74 0.993 7.010 -8.240 524 HZ1 LYS 74 1HZ LYS 74 2.983 7.972 -8.659 525 HZ2 LYS 74 2HZ LYS 74 3.873 6.805 -7.818 526 HZ3 LYS 74 3HZ LYS 74 3.061 8.022 -6.969 527 H ILE 75 H ILE 75 -2.132 4.248 -3.297 528 HA ILE 75 HA ILE 75 -4.001 4.327 -5.545 529 HB ILE 75 HB ILE 75 -4.648 3.066 -2.878 530 HG12 ILE 75 1HG1 ILE 75 -4.997 1.816 -5.589 531 HG13 ILE 75 2HG1 ILE 75 -3.438 1.761 -4.772 532 HG21 ILE 75 1HG2 ILE 75 -6.908 2.890 -3.572 533 HG22 ILE 75 2HG2 ILE 75 -6.433 4.569 -3.823 534 HG23 ILE 75 3HG2 ILE 75 -6.525 3.465 -5.195 535 HD11 ILE 75 1HD1 ILE 75 -5.950 0.809 -3.447 536 HD12 ILE 75 2HD1 ILE 75 -4.984 -0.233 -4.491 537 HD13 ILE 75 3HD1 ILE 75 -4.275 0.451 -3.028 538 H ASP 76 H ASP 76 -5.385 6.040 -5.511 539 HA ASP 76 HA ASP 76 -4.868 8.072 -3.492 540 HB2 ASP 76 1HB ASP 76 -4.949 8.469 -6.044 541 HB3 ASP 76 2HB ASP 76 -6.699 8.397 -5.857 542 H ALA 77 H ALA 77 -5.965 7.261 -1.696 543 HA ALA 77 HA ALA 77 -8.391 6.139 -1.403 544 HB1 ALA 77 1HB ALA 77 -8.615 7.543 0.728 545 HB2 ALA 77 2HB ALA 77 -7.186 6.522 0.561 546 HB3 ALA 77 3HB ALA 77 -7.071 8.256 0.262 547 H THR 78 H THR 78 -7.856 9.637 -1.762 548 HA THR 78 HA THR 78 -10.393 10.608 -1.508 549 HB THR 78 HB THR 78 -9.788 12.389 -3.118 550 HG1 THR 78 1HG THR 78 -7.261 11.194 -3.454 551 HG21 THR 78 1HG2 THR 78 -7.771 13.190 -1.922 552 HG22 THR 78 2HG2 THR 78 -7.611 11.598 -1.179 553 HG23 THR 78 3HG2 THR 78 -9.021 12.597 -0.830 554 H SER 79 H SER 79 -8.991 9.063 -4.367 555 HA SER 79 HA SER 79 -11.424 9.381 -5.894 556 HB2 SER 79 1HB SER 79 -8.923 9.276 -6.732 557 HB3 SER 79 2HB SER 79 -9.222 7.537 -6.737 558 HG SER 79 HG SER 79 -11.077 7.996 -8.067 559 H ALA 80 H ALA 80 -9.731 6.800 -4.190 560 HA ALA 80 HA ALA 80 -11.878 4.919 -4.847 561 HB1 ALA 80 1HB ALA 80 -10.152 3.458 -3.373 562 HB2 ALA 80 2HB ALA 80 -10.034 3.657 -5.121 563 HB3 ALA 80 3HB ALA 80 -9.056 4.663 -4.051 564 H SER 81 H SER 81 -13.584 5.112 -3.535 565 HA SER 81 HA SER 81 -13.242 5.833 -0.744 566 HB2 SER 81 1HB SER 81 -15.647 5.425 -2.515 567 HB3 SER 81 2HB SER 81 -15.805 5.630 -0.771 568 HG SER 81 HG SER 81 -14.455 7.455 -2.472 569 H MET 82 H MET 82 -14.552 3.110 -2.614 570 HA MET 82 HA MET 82 -15.315 1.478 -0.500 571 HB2 MET 82 1HB MET 82 -15.981 0.839 -2.679 572 HB3 MET 82 2HB MET 82 -14.326 0.842 -3.272 573 HG2 MET 82 1HG MET 82 -13.819 -1.117 -1.931 574 HG3 MET 82 2HG MET 82 -15.454 -1.105 -1.275 575 HE1 MET 82 1HE MET 82 -14.172 -2.349 -5.502 576 HE2 MET 82 2HE MET 82 -13.574 -0.910 -4.676 577 HE3 MET 82 3HE MET 82 -13.177 -2.513 -4.054 578 H LEU 83 H LEU 83 -12.274 1.204 -2.353 579 HA LEU 83 HA LEU 83 -11.011 -0.648 -0.738 580 HB2 LEU 83 1HB LEU 83 -9.730 1.638 -2.229 581 HB3 LEU 83 2HB LEU 83 -8.906 0.190 -1.655 582 HG LEU 83 HG LEU 83 -11.088 0.208 -3.738 583 HD11 LEU 83 1HD1 LEU 83 -9.139 -0.379 -5.256 584 HD12 LEU 83 2HD1 LEU 83 -8.094 0.231 -3.973 585 HD13 LEU 83 3HD1 LEU 83 -9.267 1.302 -4.739 586 HD21 LEU 83 1HD2 LEU 83 -9.644 -2.087 -4.032 587 HD22 LEU 83 2HD2 LEU 83 -11.176 -1.957 -3.168 588 HD23 LEU 83 3HD2 LEU 83 -9.653 -1.885 -2.280 589 H ALA 84 H ALA 84 -11.055 2.880 -0.443 590 HA ALA 84 HA ALA 84 -9.222 3.194 1.617 591 HB1 ALA 84 1HB ALA 84 -10.568 5.251 2.193 592 HB2 ALA 84 2HB ALA 84 -10.024 5.130 0.519 593 HB3 ALA 84 3HB ALA 84 -11.698 4.759 0.932 594 H SER 85 H SER 85 -12.756 2.797 1.892 595 HA SER 85 HA SER 85 -12.820 2.720 4.703 596 HB2 SER 85 1HB SER 85 -14.706 1.852 2.539 597 HB3 SER 85 2HB SER 85 -15.047 1.422 4.215 598 HG SER 85 HG SER 85 -15.256 3.836 2.953 599 H LYS 86 H LYS 86 -12.205 0.267 2.299 600 HA LYS 86 HA LYS 86 -12.639 -2.050 3.766 601 HB2 LYS 86 1HB LYS 86 -11.881 -1.654 1.275 602 HB3 LYS 86 2HB LYS 86 -10.270 -1.865 1.949 603 HG2 LYS 86 1HG LYS 86 -10.931 -4.058 2.821 604 HG3 LYS 86 2HG LYS 86 -12.533 -3.846 2.110 605 HD2 LYS 86 1HD LYS 86 -11.775 -4.151 -0.028 606 HD3 LYS 86 2HD LYS 86 -10.161 -3.539 0.341 607 HE2 LYS 86 1HE LYS 86 -9.892 -5.850 -0.024 608 HE3 LYS 86 2HE LYS 86 -9.840 -5.640 1.725 609 HZ1 LYS 86 1HZ LYS 86 -12.057 -6.425 1.918 610 HZ2 LYS 86 2HZ LYS 86 -11.229 -7.532 0.943 611 HZ3 LYS 86 3HZ LYS 86 -12.289 -6.415 0.242 612 H PHE 87 H PHE 87 -9.574 -0.262 3.401 613 HA PHE 87 HA PHE 87 -8.447 -1.747 5.643 614 HB2 PHE 87 1HB PHE 87 -7.146 0.332 3.873 615 HB3 PHE 87 2HB PHE 87 -6.327 -0.717 5.026 616 HD1 PHE 87 1HD PHE 87 -6.008 -3.078 4.553 617 HD2 PHE 87 2HD PHE 87 -7.890 -0.494 1.742 618 HE1 PHE 87 1HE PHE 87 -5.697 -4.770 2.794 619 HE2 PHE 87 2HE PHE 87 -7.583 -2.183 -0.021 620 HZ PHE 87 HZ PHE 87 -6.486 -4.324 0.504 621 H ASP 88 H ASP 88 -10.596 0.230 6.016 622 HA ASP 88 HA ASP 88 -11.106 2.127 7.216 623 HB2 ASP 88 1HB ASP 88 -10.170 2.016 9.535 624 HB3 ASP 88 2HB ASP 88 -10.874 0.501 8.976 625 H VAL 89 H VAL 89 -9.351 2.867 5.269 626 HA VAL 89 HA VAL 89 -7.040 4.197 6.282 627 HB VAL 89 HB VAL 89 -8.510 4.590 3.671 628 HG11 VAL 89 1HG1 VAL 89 -5.656 5.258 3.853 629 HG12 VAL 89 2HG1 VAL 89 -6.969 6.093 3.021 630 HG13 VAL 89 3HG1 VAL 89 -6.731 6.327 4.754 631 HG21 VAL 89 1HG2 VAL 89 -6.947 2.441 4.607 632 HG22 VAL 89 2HG2 VAL 89 -7.550 2.713 2.971 633 HG23 VAL 89 3HG2 VAL 89 -5.960 3.317 3.437 634 H SER 90 H SER 90 -7.485 5.658 7.866 635 HA SER 90 HA SER 90 -9.257 7.898 7.134 636 HB2 SER 90 1HB SER 90 -8.864 6.482 9.752 637 HB3 SER 90 2HB SER 90 -9.383 8.168 9.730 638 HG SER 90 HG SER 90 -10.723 5.874 8.854 639 H GLY 91 H GLY 91 -6.580 7.867 6.375 640 HA2 GLY 91 1HA GLY 91 -5.667 10.347 7.192 641 HA3 GLY 91 2HA GLY 91 -4.897 9.182 8.259 642 H TYR 92 H TYR 92 -3.290 10.704 6.737 643 HA TYR 92 HA TYR 92 -1.951 8.739 5.124 644 HB2 TYR 92 1HB TYR 92 -2.504 11.258 3.629 645 HB3 TYR 92 2HB TYR 92 -2.186 9.638 3.019 646 HD1 TYR 92 2HD TYR 92 -4.773 11.778 4.584 647 HD2 TYR 92 1HD TYR 92 -3.959 8.173 2.476 648 HE1 TYR 92 2HE TYR 92 -7.185 11.441 4.240 649 HE2 TYR 92 1HE TYR 92 -6.368 7.827 2.124 650 HH TYR 92 HH TYR 92 -8.579 10.008 2.271 651 HA PRO 93 HA PRO 93 -0.339 9.016 3.397 652 HB2 PRO 93 1HB PRO 93 2.154 8.000 3.746 653 HB3 PRO 93 2HB PRO 93 1.841 9.492 2.851 654 HG2 PRO 93 1HG PRO 93 2.764 9.136 5.676 655 HG3 PRO 93 2HG PRO 93 3.333 10.283 4.450 656 HD2 PRO 93 1HD PRO 93 1.609 10.988 6.416 657 HD3 PRO 93 2HD PRO 93 1.571 11.727 4.802 658 H THR 94 H THR 94 -0.675 6.806 3.385 659 HA THR 94 HA THR 94 -0.308 5.360 5.915 660 HB THR 94 HB THR 94 -2.860 5.465 4.301 661 HG1 THR 94 1HG THR 94 -2.858 7.081 5.799 662 HG21 THR 94 1HG2 THR 94 -3.738 3.797 5.881 663 HG22 THR 94 2HG2 THR 94 -2.135 3.642 6.599 664 HG23 THR 94 3HG2 THR 94 -2.403 3.153 4.926 665 H ILE 95 H ILE 95 0.314 3.267 5.711 666 HA ILE 95 HA ILE 95 0.492 2.189 2.972 667 HB ILE 95 HB ILE 95 2.422 1.724 5.248 668 HG12 ILE 95 1HG1 ILE 95 3.070 3.069 2.641 669 HG13 ILE 95 2HG1 ILE 95 2.383 3.994 3.972 670 HG21 ILE 95 1HG2 ILE 95 3.772 0.570 3.512 671 HG22 ILE 95 2HG2 ILE 95 2.254 -0.245 3.885 672 HG23 ILE 95 3HG2 ILE 95 2.403 0.710 2.410 673 HD11 ILE 95 1HD1 ILE 95 4.936 2.404 4.077 674 HD12 ILE 95 2HD1 ILE 95 4.811 4.156 3.912 675 HD13 ILE 95 3HD1 ILE 95 4.255 3.367 5.388 676 H LYS 96 H LYS 96 0.066 0.013 2.659 677 HA LYS 96 HA LYS 96 -0.769 -1.579 4.965 678 HB2 LYS 96 1HB LYS 96 -2.504 -1.010 2.557 679 HB3 LYS 96 2HB LYS 96 -2.831 -2.288 3.721 680 HG2 LYS 96 1HG LYS 96 -2.504 0.532 4.648 681 HG3 LYS 96 2HG LYS 96 -4.031 -0.006 3.947 682 HD2 LYS 96 1HD LYS 96 -4.327 -1.649 5.632 683 HD3 LYS 96 2HD LYS 96 -2.671 -1.455 6.209 684 HE2 LYS 96 1HE LYS 96 -4.604 0.835 6.257 685 HE3 LYS 96 2HE LYS 96 -4.593 -0.367 7.546 686 HZ1 LYS 96 1HZ LYS 96 -2.469 1.536 6.785 687 HZ2 LYS 96 2HZ LYS 96 -2.104 0.138 7.663 688 HZ3 LYS 96 3HZ LYS 96 -3.172 1.283 8.303 689 H ILE 97 H ILE 97 -1.198 -3.884 4.319 690 HA ILE 97 HA ILE 97 0.351 -4.682 1.953 691 HB ILE 97 HB ILE 97 0.673 -5.822 4.730 692 HG12 ILE 97 1HG1 ILE 97 2.896 -4.814 2.997 693 HG13 ILE 97 2HG1 ILE 97 1.895 -3.656 3.865 694 HG21 ILE 97 1HG2 ILE 97 1.557 -6.838 2.052 695 HG22 ILE 97 2HG2 ILE 97 2.442 -7.240 3.523 696 HG23 ILE 97 3HG2 ILE 97 0.749 -7.706 3.358 697 HD11 ILE 97 1HD1 ILE 97 2.897 -4.094 5.800 698 HD12 ILE 97 2HD1 ILE 97 2.821 -5.838 5.546 699 HD13 ILE 97 3HD1 ILE 97 4.133 -4.899 4.834 700 H LEU 98 H LEU 98 -0.645 -6.161 0.745 701 HA LEU 98 HA LEU 98 -3.013 -7.492 1.861 702 HB2 LEU 98 1HB LEU 98 -3.094 -6.018 -0.236 703 HB3 LEU 98 2HB LEU 98 -2.283 -7.356 -1.047 704 HG LEU 98 HG LEU 98 -4.248 -8.791 -0.264 705 HD11 LEU 98 1HD1 LEU 98 -5.275 -7.450 1.370 706 HD12 LEU 98 2HD1 LEU 98 -6.358 -7.400 -0.020 707 HD13 LEU 98 3HD1 LEU 98 -5.294 -6.035 0.316 708 HD21 LEU 98 1HD2 LEU 98 -5.654 -7.202 -2.085 709 HD22 LEU 98 2HD2 LEU 98 -4.648 -8.606 -2.441 710 HD23 LEU 98 3HD2 LEU 98 -3.949 -6.987 -2.484 711 H LYS 99 H LYS 99 -2.945 -9.590 2.292 712 HA LYS 99 HA LYS 99 -0.891 -11.233 0.960 713 HB2 LYS 99 1HB LYS 99 -0.662 -10.728 3.494 714 HB3 LYS 99 2HB LYS 99 -1.990 -11.865 3.685 715 HG2 LYS 99 1HG LYS 99 0.060 -13.035 4.027 716 HG3 LYS 99 2HG LYS 99 -0.629 -13.567 2.491 717 HD2 LYS 99 1HD LYS 99 0.886 -12.100 1.280 718 HD3 LYS 99 2HD LYS 99 1.542 -11.492 2.802 719 HE2 LYS 99 1HE LYS 99 3.112 -13.075 2.205 720 HE3 LYS 99 2HE LYS 99 2.055 -13.996 3.274 721 HZ1 LYS 99 1HZ LYS 99 2.721 -15.047 1.069 722 HZ2 LYS 99 2HZ LYS 99 1.634 -13.969 0.350 723 HZ3 LYS 99 3HZ LYS 99 1.082 -15.094 1.486 724 H LYS 100 H LYS 100 -2.085 -12.180 -0.618 725 HA LYS 100 HA LYS 100 -3.667 -13.472 -1.631 726 HB2 LYS 100 1HB LYS 100 -3.658 -14.848 1.061 727 HB3 LYS 100 2HB LYS 100 -4.268 -15.533 -0.439 728 HG2 LYS 100 1HG LYS 100 -1.447 -14.594 -0.345 729 HG3 LYS 100 2HG LYS 100 -1.869 -16.113 0.449 730 HD2 LYS 100 1HD LYS 100 -2.781 -15.605 -2.351 731 HD3 LYS 100 2HD LYS 100 -1.113 -16.102 -2.053 732 HE2 LYS 100 1HE LYS 100 -3.319 -17.632 -0.762 733 HE3 LYS 100 2HE LYS 100 -3.017 -17.873 -2.482 734 HZ1 LYS 100 1HZ LYS 100 -1.772 -19.467 -1.224 735 HZ2 LYS 100 2HZ LYS 100 -1.069 -18.256 -0.276 736 HZ3 LYS 100 3HZ LYS 100 -0.687 -18.371 -1.920 737 H GLY 101 H GLY 101 -4.589 -11.087 -0.150 738 HA2 GLY 101 1HA GLY 101 -6.824 -10.252 -0.298 739 HA3 GLY 101 2HA GLY 101 -7.416 -11.874 0.029 740 H GLN 102 H GLN 102 -4.814 -10.979 2.008 741 HA GLN 102 HA GLN 102 -6.679 -10.452 4.223 742 HB2 GLN 102 1HB GLN 102 -5.404 -12.483 4.549 743 HB3 GLN 102 2HB GLN 102 -3.897 -11.631 4.241 744 HG2 GLN 102 1HG GLN 102 -3.973 -11.860 6.553 745 HG3 GLN 102 2HG GLN 102 -4.490 -10.199 6.262 746 HE21 GLN 102 1HE2 GLN 102 -5.041 -12.595 8.241 747 HE22 GLN 102 2HE2 GLN 102 -6.740 -12.445 8.512 748 H ALA 103 H ALA 103 -6.736 -8.440 4.946 749 HA ALA 103 HA ALA 103 -4.742 -6.515 4.177 750 HB1 ALA 103 1HB ALA 103 -6.182 -4.982 5.630 751 HB2 ALA 103 2HB ALA 103 -6.925 -5.672 4.186 752 HB3 ALA 103 3HB ALA 103 -7.279 -6.356 5.773 753 H VAL 104 H VAL 104 -3.042 -5.833 5.318 754 HA VAL 104 HA VAL 104 -2.890 -6.568 8.169 755 HB VAL 104 HB VAL 104 -0.648 -6.602 6.145 756 HG11 VAL 104 1HG1 VAL 104 0.107 -7.736 8.636 757 HG12 VAL 104 2HG1 VAL 104 0.788 -6.330 7.815 758 HG13 VAL 104 3HG1 VAL 104 -0.554 -6.130 8.942 759 HG21 VAL 104 1HG2 VAL 104 -1.564 -8.906 7.828 760 HG22 VAL 104 2HG2 VAL 104 -2.355 -8.531 6.297 761 HG23 VAL 104 3HG2 VAL 104 -0.636 -8.923 6.328 762 H ASP 105 H ASP 105 -3.323 -4.641 9.110 763 HA ASP 105 HA ASP 105 -2.562 -2.120 8.142 764 HB2 ASP 105 1HB ASP 105 -2.969 -2.753 11.061 765 HB3 ASP 105 2HB ASP 105 -3.304 -1.245 10.216 766 H TYR 106 H TYR 106 -0.712 -1.014 8.212 767 HA TYR 106 HA TYR 106 1.578 -2.242 9.543 768 HB2 TYR 106 1HB TYR 106 1.967 -1.675 7.249 769 HB3 TYR 106 2HB TYR 106 1.349 -0.044 7.484 770 HD1 TYR 106 2HD TYR 106 4.077 -2.310 8.642 771 HD2 TYR 106 1HD TYR 106 2.838 1.691 7.892 772 HE1 TYR 106 2HE TYR 106 6.358 -1.522 9.114 773 HE2 TYR 106 1HE TYR 106 5.116 2.490 8.361 774 HH TYR 106 HH TYR 106 7.338 1.747 8.489 775 H ASP 107 H ASP 107 2.563 -1.408 11.282 776 HA ASP 107 HA ASP 107 1.775 1.288 12.167 777 HB2 ASP 107 1HB ASP 107 2.284 -1.041 14.024 778 HB3 ASP 107 2HB ASP 107 1.663 0.552 14.449 779 H GLY 108 H GLY 108 3.546 2.488 11.847 780 HA2 GLY 108 1HA GLY 108 5.757 2.502 13.412 781 HA3 GLY 108 2HA GLY 108 6.198 1.381 12.132 782 H SER 109 H SER 109 7.891 3.168 11.967 783 HA SER 109 HA SER 109 7.037 5.609 10.693 784 HB2 SER 109 1HB SER 109 9.833 4.501 11.042 785 HB3 SER 109 2HB SER 109 9.416 6.153 10.591 786 HG SER 109 HG SER 109 8.964 6.593 12.607 787 H ARG 110 H ARG 110 6.704 5.890 8.594 788 HA ARG 110 HA ARG 110 7.018 3.788 6.723 789 HB2 ARG 110 1HB ARG 110 6.340 5.485 5.044 790 HB3 ARG 110 2HB ARG 110 5.263 5.421 6.433 791 HG2 ARG 110 1HG ARG 110 6.689 7.359 7.352 792 HG3 ARG 110 2HG ARG 110 7.249 7.526 5.687 793 HD2 ARG 110 1HD ARG 110 5.135 8.087 4.900 794 HD3 ARG 110 2HD ARG 110 4.324 7.387 6.301 795 HE ARG 110 HE ARG 110 4.512 9.406 7.339 796 HH11 ARG 110 2HH1 ARG 110 6.885 9.244 4.797 797 HH12 ARG 110 1HH1 ARG 110 7.414 10.880 5.008 798 HH21 ARG 110 2HH2 ARG 110 5.199 11.562 7.627 799 HH22 ARG 110 1HH2 ARG 110 6.455 12.197 6.618 800 H THR 111 H THR 111 9.260 3.260 6.907 801 HA THR 111 HA THR 111 10.982 5.069 5.346 802 HB THR 111 HB THR 111 12.868 3.914 6.803 803 HG1 THR 111 1HG THR 111 12.159 3.515 8.905 804 HG21 THR 111 1HG2 THR 111 13.139 6.061 7.331 805 HG22 THR 111 2HG2 THR 111 11.866 5.915 8.542 806 HG23 THR 111 3HG2 THR 111 11.464 6.396 6.894 807 H GLN 112 H GLN 112 12.516 4.083 4.001 808 HA GLN 112 HA GLN 112 11.793 1.873 2.584 809 HB2 GLN 112 1HB GLN 112 14.409 3.223 3.044 810 HB3 GLN 112 2HB GLN 112 14.416 1.673 2.214 811 HG2 GLN 112 1HG GLN 112 13.069 2.504 0.456 812 HG3 GLN 112 2HG GLN 112 12.707 3.983 1.345 813 HE21 GLN 112 1HE2 GLN 112 14.369 2.880 -1.174 814 HE22 GLN 112 2HE2 GLN 112 15.702 3.977 -1.190 815 H GLU 113 H GLU 113 14.121 1.911 5.280 816 HA GLU 113 HA GLU 113 14.657 -0.834 5.309 817 HB2 GLU 113 1HB GLU 113 15.341 -0.445 7.692 818 HB3 GLU 113 2HB GLU 113 16.087 0.641 6.528 819 HG2 GLU 113 1HG GLU 113 14.076 2.196 7.156 820 HG3 GLU 113 2HG GLU 113 14.047 1.209 8.616 821 H GLU 114 H GLU 114 12.428 1.003 7.404 822 HA GLU 114 HA GLU 114 11.304 -1.236 8.668 823 HB2 GLU 114 1HB GLU 114 10.322 1.577 8.242 824 HB3 GLU 114 2HB GLU 114 9.354 0.385 9.098 825 HG2 GLU 114 1HG GLU 114 11.450 0.060 10.560 826 HG3 GLU 114 2HG GLU 114 11.968 1.603 9.883 827 H ILE 115 H ILE 115 9.640 0.852 6.306 828 HA ILE 115 HA ILE 115 7.467 -0.619 5.721 829 HB ILE 115 HB ILE 115 9.204 0.757 3.669 830 HG12 ILE 115 1HG1 ILE 115 6.716 1.822 4.996 831 HG13 ILE 115 2HG1 ILE 115 8.318 2.080 5.677 832 HG21 ILE 115 1HG2 ILE 115 6.258 0.248 3.424 833 HG22 ILE 115 2HG2 ILE 115 7.409 0.713 2.172 834 HG23 ILE 115 3HG2 ILE 115 7.451 -0.916 2.846 835 HD11 ILE 115 1HD1 ILE 115 7.854 2.807 2.836 836 HD12 ILE 115 2HD1 ILE 115 7.203 3.850 4.101 837 HD13 ILE 115 3HD1 ILE 115 8.935 3.527 4.028 838 H VAL 116 H VAL 116 10.608 -1.072 4.096 839 HA VAL 116 HA VAL 116 9.800 -3.346 2.617 840 HB VAL 116 HB VAL 116 12.570 -2.433 3.406 841 HG11 VAL 116 1HG1 VAL 116 11.749 -4.898 2.296 842 HG12 VAL 116 2HG1 VAL 116 12.527 -3.975 1.009 843 HG13 VAL 116 3HG1 VAL 116 13.390 -4.292 2.515 844 HG21 VAL 116 1HG2 VAL 116 10.821 -1.155 1.785 845 HG22 VAL 116 2HG2 VAL 116 12.573 -1.077 1.605 846 HG23 VAL 116 3HG2 VAL 116 11.635 -2.205 0.626 847 H ALA 117 H ALA 117 11.400 -2.945 5.739 848 HA ALA 117 HA ALA 117 12.136 -5.574 6.241 849 HB1 ALA 117 1HB ALA 117 12.975 -4.170 7.828 850 HB2 ALA 117 2HB ALA 117 11.486 -3.230 7.945 851 HB3 ALA 117 3HB ALA 117 11.594 -4.812 8.717 852 H LYS 118 H LYS 118 9.036 -3.959 6.829 853 HA LYS 118 HA LYS 118 7.810 -6.232 8.040 854 HB2 LYS 118 1HB LYS 118 6.911 -4.098 8.585 855 HB3 LYS 118 2HB LYS 118 6.719 -3.668 6.890 856 HG2 LYS 118 1HG LYS 118 4.566 -4.156 7.790 857 HG3 LYS 118 2HG LYS 118 5.011 -5.463 6.690 858 HD2 LYS 118 1HD LYS 118 4.205 -6.647 8.494 859 HD3 LYS 118 2HD LYS 118 5.929 -6.584 8.868 860 HE2 LYS 118 1HE LYS 118 4.873 -6.013 10.877 861 HE3 LYS 118 2HE LYS 118 5.380 -4.469 10.193 862 HZ1 LYS 118 1HZ LYS 118 2.678 -5.503 9.648 863 HZ2 LYS 118 2HZ LYS 118 3.229 -3.904 9.648 864 HZ3 LYS 118 3HZ LYS 118 3.001 -4.720 11.113 865 H VAL 119 H VAL 119 7.659 -4.790 4.798 866 HA VAL 119 HA VAL 119 5.796 -6.529 3.668 867 HB VAL 119 HB VAL 119 8.121 -5.105 2.370 868 HG11 VAL 119 1HG1 VAL 119 5.729 -6.307 0.989 869 HG12 VAL 119 2HG1 VAL 119 7.141 -5.556 0.244 870 HG13 VAL 119 3HG1 VAL 119 7.302 -7.097 1.087 871 HG21 VAL 119 1HG2 VAL 119 5.545 -4.262 3.324 872 HG22 VAL 119 2HG2 VAL 119 6.859 -3.296 2.654 873 HG23 VAL 119 3HG2 VAL 119 5.661 -4.020 1.581 874 H ARG 120 H ARG 120 9.342 -6.685 3.267 875 HA ARG 120 HA ARG 120 9.503 -9.122 2.002 876 HB2 ARG 120 1HB ARG 120 11.785 -9.175 2.590 877 HB3 ARG 120 2HB ARG 120 11.373 -7.467 2.517 878 HG2 ARG 120 1HG ARG 120 11.217 -7.368 4.930 879 HG3 ARG 120 2HG ARG 120 11.531 -9.101 5.041 880 HD2 ARG 120 1HD ARG 120 13.638 -8.311 5.413 881 HD3 ARG 120 2HD ARG 120 13.680 -8.438 3.655 882 HE ARG 120 HE ARG 120 12.784 -5.900 4.167 883 HH11 ARG 120 2HH1 ARG 120 15.606 -7.763 4.992 884 HH12 ARG 120 1HH1 ARG 120 16.655 -6.386 5.066 885 HH21 ARG 120 2HH2 ARG 120 14.154 -4.078 4.262 886 HH22 ARG 120 1HH2 ARG 120 15.827 -4.290 4.651 887 H GLU 121 H GLU 121 8.956 -8.452 5.384 888 HA GLU 121 HA GLU 121 9.458 -11.108 6.306 889 HB2 GLU 121 1HB GLU 121 9.641 -9.283 7.865 890 HB3 GLU 121 2HB GLU 121 7.987 -8.781 7.547 891 HG2 GLU 121 1HG GLU 121 7.918 -9.876 9.612 892 HG3 GLU 121 2HG GLU 121 7.273 -11.034 8.450 893 H VAL 122 H VAL 122 6.440 -9.249 5.895 894 HA VAL 122 HA VAL 122 4.667 -11.332 6.427 895 HB VAL 122 HB VAL 122 4.237 -9.011 4.540 896 HG11 VAL 122 1HG1 VAL 122 2.491 -11.151 5.567 897 HG12 VAL 122 2HG1 VAL 122 1.822 -9.519 5.625 898 HG13 VAL 122 3HG1 VAL 122 2.369 -10.195 4.090 899 HG21 VAL 122 1HG2 VAL 122 4.456 -7.759 6.373 900 HG22 VAL 122 2HG2 VAL 122 2.938 -8.472 6.918 901 HG23 VAL 122 3HG2 VAL 122 4.475 -9.169 7.431 902 H SER 123 H SER 123 5.859 -10.173 3.275 903 HA SER 123 HA SER 123 4.560 -11.742 1.514 904 HB2 SER 123 1HB SER 123 6.329 -11.442 0.016 905 HB3 SER 123 2HB SER 123 6.564 -10.117 1.156 906 HG SER 123 HG SER 123 8.087 -11.487 2.245 907 H GLN 124 H GLN 124 7.151 -12.792 3.660 908 HA GLN 124 HA GLN 124 7.722 -15.287 2.656 909 HB2 GLN 124 1HB GLN 124 7.462 -14.548 5.576 910 HB3 GLN 124 2HB GLN 124 8.348 -15.926 4.938 911 HG2 GLN 124 1HG GLN 124 8.985 -13.018 4.511 912 HG3 GLN 124 2HG GLN 124 9.882 -14.168 5.501 913 HE21 GLN 124 1HE2 GLN 124 10.000 -12.568 2.708 914 HE22 GLN 124 2HE2 GLN 124 10.918 -13.671 1.745 915 HA PRO 125 HA PRO 125 4.011 -17.634 2.985 916 HB2 PRO 125 1HB PRO 125 5.090 -20.125 2.971 917 HB3 PRO 125 2HB PRO 125 4.997 -19.110 1.527 918 HG2 PRO 125 1HG PRO 125 7.312 -19.583 3.365 919 HG3 PRO 125 2HG PRO 125 7.286 -19.513 1.593 920 HD2 PRO 125 1HD PRO 125 8.102 -17.432 3.121 921 HD3 PRO 125 2HD PRO 125 7.290 -17.208 1.558 922 H ASP 126 H ASP 126 6.634 -18.028 5.261 923 HA ASP 126 HA ASP 126 5.171 -19.685 7.087 924 HB2 ASP 126 1HB ASP 126 7.706 -18.076 7.458 925 HB3 ASP 126 2HB ASP 126 7.060 -19.216 8.635 926 H TRP 127 H TRP 127 5.941 -16.241 6.864 927 HA TRP 127 HA TRP 127 5.013 -15.360 9.309 928 HB2 TRP 127 1HB TRP 127 6.140 -13.867 7.765 929 HB3 TRP 127 2HB TRP 127 4.815 -14.004 6.612 930 HD1 TRP 127 HD TRP 127 5.942 -12.042 9.606 931 HE1 TRP 127 1HE TRP 127 4.169 -10.274 10.202 932 HE3 TRP 127 3HE TRP 127 2.140 -13.659 6.595 933 HZ2 TRP 127 2HZ TRP 127 1.510 -9.648 9.491 934 HZ3 TRP 127 3HZ TRP 127 0.014 -12.420 6.613 935 HH2 TRP 127 HH TRP 127 -0.293 -10.457 8.032 936 H THR 128 H THR 128 3.043 -14.748 10.143 937 HA THR 128 HA THR 128 0.659 -15.348 8.527 938 HB THR 128 HB THR 128 -0.418 -16.254 10.614 939 HG1 THR 128 1HG THR 128 2.187 -15.810 11.543 940 HG21 THR 128 1HG2 THR 128 1.890 -17.634 9.279 941 HG22 THR 128 2HG2 THR 128 0.160 -17.887 9.046 942 HG23 THR 128 3HG2 THR 128 0.942 -18.445 10.524 943 HA PRO 129 HA PRO 129 -0.833 -11.447 9.901 944 HB2 PRO 129 1HB PRO 129 -3.508 -11.875 9.724 945 HB3 PRO 129 2HB PRO 129 -2.472 -11.668 8.307 946 HG2 PRO 129 1HG PRO 129 -3.515 -14.190 9.539 947 HG3 PRO 129 2HG PRO 129 -3.407 -13.743 7.826 948 HD2 PRO 129 1HD PRO 129 -1.607 -15.375 9.022 949 HD3 PRO 129 2HD PRO 129 -1.168 -14.277 7.698 950 HA PRO 130 HA PRO 130 -1.420 -12.369 14.267 951 HB2 PRO 130 1HB PRO 130 -0.969 -9.827 15.106 952 HB3 PRO 130 2HB PRO 130 0.333 -10.941 14.673 953 HG2 PRO 130 1HG PRO 130 -0.903 -8.751 13.050 954 HG3 PRO 130 2HG PRO 130 0.807 -9.183 13.227 955 HD2 PRO 130 1HD PRO 130 -0.664 -9.913 11.074 956 HD3 PRO 130 2HD PRO 130 0.658 -10.912 11.711 957 HA PRO 131 HA PRO 131 -5.575 -11.113 14.991 958 HB2 PRO 131 1HB PRO 131 -5.598 -10.903 17.697 959 HB3 PRO 131 2HB PRO 131 -5.531 -12.455 16.855 960 HG2 PRO 131 1HG PRO 131 -3.312 -10.878 18.100 961 HG3 PRO 131 2HG PRO 131 -3.619 -12.623 18.167 962 HD2 PRO 131 1HD PRO 131 -1.787 -11.530 16.500 963 HD3 PRO 131 2HD PRO 131 -2.704 -12.993 16.084 964 H GLU 132 H GLU 132 -5.644 -9.055 14.040 965 HA GLU 132 HA GLU 132 -5.455 -6.837 15.961 966 HB2 GLU 132 1HB GLU 132 -3.506 -6.921 14.333 967 HB3 GLU 132 2HB GLU 132 -4.670 -6.576 13.061 968 HG2 GLU 132 1HG GLU 132 -3.821 -4.492 13.563 969 HG3 GLU 132 2HG GLU 132 -5.312 -4.541 14.501 970 H VAL 133 H VAL 133 -7.727 -7.039 16.216 971 HA VAL 133 HA VAL 133 -9.227 -5.781 14.031 972 HB VAL 133 HB VAL 133 -9.670 -8.207 13.921 973 HG11 VAL 133 1HG1 VAL 133 -10.502 -9.462 15.668 974 HG12 VAL 133 2HG1 VAL 133 -9.380 -8.389 16.506 975 HG13 VAL 133 3HG1 VAL 133 -11.111 -8.051 16.532 976 HG21 VAL 133 1HG2 VAL 133 -11.761 -6.199 14.521 977 HG22 VAL 133 2HG2 VAL 133 -11.493 -7.158 13.065 978 HG23 VAL 133 3HG2 VAL 133 -12.264 -7.889 14.472 979 H THR 134 H THR 134 -10.295 -4.058 14.730 980 HA THR 134 HA THR 134 -11.145 -3.966 17.549 981 HB THR 134 HB THR 134 -10.097 -1.607 15.975 982 HG1 THR 134 1HG THR 134 -8.678 -3.498 16.987 983 HG21 THR 134 1HG2 THR 134 -10.656 -0.287 17.717 984 HG22 THR 134 2HG2 THR 134 -10.246 -1.518 18.911 985 HG23 THR 134 3HG2 THR 134 -11.805 -1.571 18.089 986 H SER 135 H SER 135 -13.294 -4.050 17.547 987 HA SER 135 HA SER 135 -14.896 -3.234 15.338 988 HB2 SER 135 1HB SER 135 -15.415 -5.026 17.126 989 HB3 SER 135 2HB SER 135 -15.953 -3.675 18.123 990 HG SER 135 HG SER 135 -17.552 -3.242 16.689 991 H GLY 136 H GLY 136 -16.545 -1.584 15.359 992 HA2 GLY 136 1HA GLY 136 -17.456 0.346 16.665 993 HA3 GLY 136 2HA GLY 136 -15.781 0.727 17.037 994 HA PRO 137 HA PRO 137 -15.494 3.291 13.500 995 HB2 PRO 137 1HB PRO 137 -12.964 2.823 12.633 996 HB3 PRO 137 2HB PRO 137 -13.322 3.731 14.107 997 HG2 PRO 137 1HG PRO 137 -12.516 0.864 13.797 998 HG3 PRO 137 2HG PRO 137 -11.959 2.061 14.980 999 HD2 PRO 137 1HD PRO 137 -13.814 0.180 15.574 1000 HD3 PRO 137 2HD PRO 137 -13.819 1.793 16.315 1001 H SER 138 H SER 138 -16.264 3.130 11.492 1002 HA SER 138 HA SER 138 -17.025 2.175 9.560 1003 HB2 SER 138 1HB SER 138 -14.096 1.645 9.668 1004 HB3 SER 138 2HB SER 138 -15.023 0.832 8.407 1005 HG SER 138 HG SER 138 -14.953 2.650 7.378 1006 H SER 139 H SER 139 -17.581 0.652 11.905 1007 HA SER 139 HA SER 139 -17.072 -2.123 11.323 1008 HB2 SER 139 1HB SER 139 -18.133 -2.603 13.362 1009 HB3 SER 139 2HB SER 139 -17.386 -1.031 13.649 1010 HG SER 139 HG SER 139 -20.100 -1.629 13.144 1011 H GLY 140 H GLY 140 -19.048 -3.652 11.406 1012 HA2 GLY 140 1HA GLY 140 -21.503 -2.696 10.287 1013 HA3 GLY 140 2HA GLY 140 -20.486 -3.461 9.074 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -25.430 -20.102 -20.988 2 HA2 GLY 1 1HA GLY 1 -27.005 -21.128 -18.728 3 HA3 GLY 1 2HA GLY 1 -25.636 -21.939 -19.474 4 H SER 2 H SER 2 -23.618 -21.609 -18.685 5 HA SER 2 HA SER 2 -23.347 -20.522 -16.092 6 HB2 SER 2 1HB SER 2 -21.346 -21.466 -18.142 7 HB3 SER 2 2HB SER 2 -20.847 -20.830 -16.574 8 HG SER 2 HG SER 2 -21.193 -22.780 -15.889 9 H SER 3 H SER 3 -22.261 -19.368 -19.272 10 HA SER 3 HA SER 3 -22.420 -16.629 -18.351 11 HB2 SER 3 1HB SER 3 -19.824 -18.011 -18.857 12 HB3 SER 3 2HB SER 3 -19.988 -16.338 -19.388 13 HG SER 3 HG SER 3 -20.617 -15.830 -17.223 14 H GLY 4 H GLY 4 -22.473 -15.109 -20.046 15 HA2 GLY 4 1HA GLY 4 -23.122 -16.314 -22.641 16 HA3 GLY 4 2HA GLY 4 -23.592 -14.707 -22.104 17 H SER 5 H SER 5 -22.260 -12.984 -22.481 18 HA SER 5 HA SER 5 -20.235 -13.369 -24.490 19 HB2 SER 5 1HB SER 5 -21.903 -11.422 -24.351 20 HB3 SER 5 2HB SER 5 -20.853 -10.768 -23.094 21 HG SER 5 HG SER 5 -19.128 -10.930 -24.677 22 H SER 6 H SER 6 -18.470 -14.378 -23.634 23 HA SER 6 HA SER 6 -17.179 -13.127 -21.308 24 HB2 SER 6 1HB SER 6 -17.724 -15.590 -21.226 25 HB3 SER 6 2HB SER 6 -16.548 -15.825 -22.520 26 HG SER 6 HG SER 6 -15.818 -16.073 -20.239 27 H GLY 7 H GLY 7 -14.981 -12.586 -21.357 28 HA2 GLY 7 1HA GLY 7 -12.852 -12.457 -22.446 29 HA3 GLY 7 2HA GLY 7 -13.668 -12.676 -23.987 30 H ASP 8 H ASP 8 -12.216 -10.463 -21.974 31 HA ASP 8 HA ASP 8 -12.710 -8.287 -23.702 32 HB2 ASP 8 1HB ASP 8 -13.974 -6.829 -22.161 33 HB3 ASP 8 2HB ASP 8 -14.905 -8.245 -22.641 34 H ASP 9 H ASP 9 -10.732 -7.460 -23.672 35 HA ASP 9 HA ASP 9 -9.229 -7.384 -21.165 36 HB2 ASP 9 1HB ASP 9 -8.148 -8.332 -23.187 37 HB3 ASP 9 2HB ASP 9 -8.303 -6.766 -23.978 38 H ASP 10 H ASP 10 -10.112 -5.657 -20.071 39 HA ASP 10 HA ASP 10 -9.632 -3.020 -21.290 40 HB2 ASP 10 1HB ASP 10 -11.961 -3.795 -19.519 41 HB3 ASP 10 2HB ASP 10 -11.619 -2.166 -20.096 42 H LEU 11 H LEU 11 -9.618 -5.035 -18.440 43 HA LEU 11 HA LEU 11 -8.895 -3.016 -16.580 44 HB2 LEU 11 1HB LEU 11 -8.427 -5.992 -16.471 45 HB3 LEU 11 2HB LEU 11 -8.277 -4.879 -15.113 46 HG LEU 11 HG LEU 11 -10.812 -4.376 -15.761 47 HD11 LEU 11 1HD1 LEU 11 -11.631 -6.909 -16.131 48 HD12 LEU 11 2HD1 LEU 11 -10.144 -6.926 -17.080 49 HD13 LEU 11 3HD1 LEU 11 -11.408 -5.752 -17.444 50 HD21 LEU 11 1HD2 LEU 11 -9.798 -5.213 -13.600 51 HD22 LEU 11 2HD2 LEU 11 -10.094 -6.845 -14.199 52 HD23 LEU 11 3HD2 LEU 11 -11.446 -5.742 -13.940 53 H GLU 12 H GLU 12 -7.152 -1.809 -17.144 54 HA GLU 12 HA GLU 12 -4.633 -3.241 -17.675 55 HB2 GLU 12 1HB GLU 12 -5.703 -1.505 -19.349 56 HB3 GLU 12 2HB GLU 12 -4.966 -0.331 -18.269 57 HG2 GLU 12 1HG GLU 12 -2.791 -1.177 -18.692 58 HG3 GLU 12 2HG GLU 12 -3.435 -2.581 -19.540 59 H VAL 13 H VAL 13 -2.656 -2.113 -16.881 60 HA VAL 13 HA VAL 13 -3.107 -0.542 -14.446 61 HB VAL 13 HB VAL 13 -1.383 -3.019 -14.584 62 HG11 VAL 13 1HG1 VAL 13 -0.235 -2.305 -12.818 63 HG12 VAL 13 2HG1 VAL 13 -0.960 -0.716 -13.074 64 HG13 VAL 13 3HG1 VAL 13 -1.710 -1.861 -11.962 65 HG21 VAL 13 1HG2 VAL 13 -3.334 -3.994 -14.054 66 HG22 VAL 13 2HG2 VAL 13 -3.056 -3.310 -12.452 67 HG23 VAL 13 3HG2 VAL 13 -4.089 -2.465 -13.605 68 H LYS 14 H LYS 14 -1.927 1.240 -14.549 69 HA LYS 14 HA LYS 14 0.377 1.354 -16.330 70 HB2 LYS 14 1HB LYS 14 -1.118 3.492 -14.806 71 HB3 LYS 14 2HB LYS 14 0.300 3.810 -15.797 72 HG2 LYS 14 1HG LYS 14 -0.975 2.787 -17.723 73 HG3 LYS 14 2HG LYS 14 -2.402 2.845 -16.685 74 HD2 LYS 14 1HD LYS 14 -2.488 4.821 -17.957 75 HD3 LYS 14 2HD LYS 14 -1.875 5.320 -16.379 76 HE2 LYS 14 1HE LYS 14 -0.603 6.386 -18.145 77 HE3 LYS 14 2HE LYS 14 0.416 5.249 -17.264 78 HZ1 LYS 14 1HZ LYS 14 -0.904 4.702 -19.869 79 HZ2 LYS 14 2HZ LYS 14 0.119 3.646 -19.032 80 HZ3 LYS 14 3HZ LYS 14 0.730 5.092 -19.665 81 H GLU 15 H GLU 15 2.164 2.947 -15.406 82 HA GLU 15 HA GLU 15 2.750 2.402 -12.607 83 HB2 GLU 15 1HB GLU 15 4.979 1.505 -13.102 84 HB3 GLU 15 2HB GLU 15 3.713 0.479 -13.762 85 HG2 GLU 15 1HG GLU 15 5.176 2.535 -15.392 86 HG3 GLU 15 2HG GLU 15 5.705 0.860 -15.242 87 H GLU 16 H GLU 16 4.456 3.717 -11.750 88 HA GLU 16 HA GLU 16 5.375 5.904 -13.465 89 HB2 GLU 16 1HB GLU 16 3.789 6.199 -10.924 90 HB3 GLU 16 2HB GLU 16 4.847 7.478 -11.503 91 HG2 GLU 16 1HG GLU 16 3.556 7.355 -13.683 92 HG3 GLU 16 2HG GLU 16 2.388 6.365 -12.811 93 H ASN 17 H ASN 17 7.503 6.023 -13.281 94 HA ASN 17 HA ASN 17 9.623 5.826 -12.473 95 HB2 ASN 17 1HB ASN 17 8.497 6.458 -9.752 96 HB3 ASN 17 2HB ASN 17 10.067 6.899 -10.417 97 HD21 ASN 17 1HD2 ASN 17 6.685 7.636 -10.312 98 HD22 ASN 17 2HD2 ASN 17 6.785 9.177 -11.087 99 H GLY 18 H GLY 18 7.872 3.454 -12.419 100 HA2 GLY 18 1HA GLY 18 8.508 1.238 -11.942 101 HA3 GLY 18 2HA GLY 18 9.554 1.837 -10.663 102 H VAL 19 H VAL 19 6.412 3.162 -10.680 103 HA VAL 19 HA VAL 19 5.596 1.305 -8.539 104 HB VAL 19 HB VAL 19 5.006 4.263 -8.714 105 HG11 VAL 19 1HG1 VAL 19 4.470 3.038 -6.169 106 HG12 VAL 19 2HG1 VAL 19 3.395 3.970 -7.212 107 HG13 VAL 19 3HG1 VAL 19 3.562 2.230 -7.445 108 HG21 VAL 19 1HG2 VAL 19 6.332 4.168 -6.489 109 HG22 VAL 19 2HG2 VAL 19 6.971 2.654 -7.129 110 HG23 VAL 19 3HG2 VAL 19 7.215 4.159 -8.016 111 H TRP 20 H TRP 20 4.017 0.060 -9.304 112 HA TRP 20 HA TRP 20 2.352 0.727 -11.482 113 HB2 TRP 20 1HB TRP 20 1.814 -1.353 -9.355 114 HB3 TRP 20 2HB TRP 20 1.160 -1.315 -10.991 115 HD1 TRP 20 HD TRP 20 4.145 -2.472 -9.010 116 HE1 TRP 20 1HE TRP 20 5.794 -3.685 -10.570 117 HE3 TRP 20 3HE TRP 20 2.051 -1.254 -13.512 118 HZ2 TRP 20 2HZ TRP 20 6.159 -4.075 -13.342 119 HZ3 TRP 20 3HZ TRP 20 3.112 -2.086 -15.570 120 HH2 TRP 20 HH TRP 20 5.124 -3.467 -15.484 121 H VAL 21 H VAL 21 0.348 1.602 -11.605 122 HA VAL 21 HA VAL 21 -0.690 2.845 -9.172 123 HB VAL 21 HB VAL 21 -1.416 3.275 -12.073 124 HG11 VAL 21 1HG1 VAL 21 -3.372 3.956 -11.178 125 HG12 VAL 21 2HG1 VAL 21 -2.688 4.158 -9.564 126 HG13 VAL 21 3HG1 VAL 21 -2.447 5.406 -10.788 127 HG21 VAL 21 1HG2 VAL 21 0.816 4.118 -10.840 128 HG22 VAL 21 2HG2 VAL 21 0.003 5.038 -12.106 129 HG23 VAL 21 3HG2 VAL 21 -0.277 5.434 -10.410 130 H LEU 22 H LEU 22 -1.876 1.363 -8.076 131 HA LEU 22 HA LEU 22 -3.808 -0.286 -9.509 132 HB2 LEU 22 1HB LEU 22 -2.872 -0.234 -6.651 133 HB3 LEU 22 2HB LEU 22 -4.197 -1.254 -7.208 134 HG LEU 22 HG LEU 22 -1.275 -1.448 -7.877 135 HD11 LEU 22 1HD1 LEU 22 -3.292 -3.407 -6.789 136 HD12 LEU 22 2HD1 LEU 22 -2.023 -2.596 -5.872 137 HD13 LEU 22 3HD1 LEU 22 -1.597 -3.759 -7.128 138 HD21 LEU 22 1HD2 LEU 22 -3.608 -2.691 -9.321 139 HD22 LEU 22 2HD2 LEU 22 -1.950 -3.278 -9.446 140 HD23 LEU 22 3HD2 LEU 22 -2.353 -1.650 -9.994 141 H ASN 23 H ASN 23 -6.033 -0.418 -8.792 142 HA ASN 23 HA ASN 23 -7.170 1.520 -7.058 143 HB2 ASN 23 1HB ASN 23 -8.544 2.504 -9.121 144 HB3 ASN 23 2HB ASN 23 -7.031 3.225 -8.582 145 HD21 ASN 23 1HD2 ASN 23 -8.295 0.777 -10.803 146 HD22 ASN 23 2HD2 ASN 23 -7.136 1.063 -12.052 147 H ASP 24 H ASP 24 -9.545 1.409 -7.030 148 HA ASP 24 HA ASP 24 -10.565 -1.099 -6.842 149 HB2 ASP 24 1HB ASP 24 -12.644 -0.141 -6.562 150 HB3 ASP 24 2HB ASP 24 -11.608 1.262 -6.311 151 H GLY 25 H GLY 25 -9.950 0.654 -9.746 152 HA2 GLY 25 1HA GLY 25 -11.730 -0.753 -11.463 153 HA3 GLY 25 2HA GLY 25 -10.328 0.180 -11.965 154 H ASN 26 H ASN 26 -8.279 -1.174 -10.722 155 HA ASN 26 HA ASN 26 -8.490 -3.909 -11.786 156 HB2 ASN 26 1HB ASN 26 -5.918 -3.433 -12.320 157 HB3 ASN 26 2HB ASN 26 -7.195 -3.067 -13.476 158 HD21 ASN 26 1HD2 ASN 26 -4.675 -1.833 -11.571 159 HD22 ASN 26 2HD2 ASN 26 -4.894 -0.159 -11.941 160 H PHE 27 H PHE 27 -8.646 -2.804 -9.053 161 HA PHE 27 HA PHE 27 -6.205 -3.396 -7.704 162 HB2 PHE 27 1HB PHE 27 -7.974 -1.862 -6.822 163 HB3 PHE 27 2HB PHE 27 -8.992 -3.270 -6.538 164 HD1 PHE 27 2HD PHE 27 -8.239 -5.005 -4.898 165 HD2 PHE 27 1HD PHE 27 -6.301 -1.236 -5.298 166 HE1 PHE 27 2HE PHE 27 -7.203 -5.306 -2.687 167 HE2 PHE 27 1HE PHE 27 -5.261 -1.532 -3.088 168 HZ PHE 27 HZ PHE 27 -5.713 -3.569 -1.778 169 H ASP 28 H ASP 28 -9.343 -5.004 -7.228 170 HA ASP 28 HA ASP 28 -8.397 -7.320 -6.081 171 HB2 ASP 28 1HB ASP 28 -10.857 -6.637 -7.626 172 HB3 ASP 28 2HB ASP 28 -10.538 -8.335 -7.282 173 H ASN 29 H ASN 29 -8.667 -6.518 -9.498 174 HA ASN 29 HA ASN 29 -8.134 -9.078 -10.537 175 HB2 ASN 29 1HB ASN 29 -9.035 -7.137 -11.839 176 HB3 ASN 29 2HB ASN 29 -7.425 -6.424 -11.801 177 HD21 ASN 29 1HD2 ASN 29 -5.729 -7.471 -12.914 178 HD22 ASN 29 2HD2 ASN 29 -6.060 -8.553 -14.220 179 H PHE 30 H PHE 30 -6.011 -6.423 -9.586 180 HA PHE 30 HA PHE 30 -3.610 -7.582 -10.541 181 HB2 PHE 30 1HB PHE 30 -3.969 -5.152 -9.938 182 HB3 PHE 30 2HB PHE 30 -3.865 -5.633 -8.248 183 HD1 PHE 30 1HD PHE 30 -2.009 -5.322 -11.402 184 HD2 PHE 30 2HD PHE 30 -1.773 -6.163 -7.237 185 HE1 PHE 30 1HE PHE 30 0.442 -5.127 -11.505 186 HE2 PHE 30 2HE PHE 30 0.677 -5.969 -7.332 187 HZ PHE 30 HZ PHE 30 1.788 -5.450 -9.468 188 H VAL 31 H VAL 31 -4.822 -7.264 -7.199 189 HA VAL 31 HA VAL 31 -2.889 -8.983 -6.071 190 HB VAL 31 HB VAL 31 -4.191 -8.939 -4.060 191 HG11 VAL 31 1HG1 VAL 31 -3.858 -6.463 -5.628 192 HG12 VAL 31 2HG1 VAL 31 -4.892 -6.345 -4.203 193 HG13 VAL 31 3HG1 VAL 31 -3.224 -6.897 -4.040 194 HG21 VAL 31 1HG2 VAL 31 -6.485 -7.713 -4.219 195 HG22 VAL 31 2HG2 VAL 31 -6.431 -8.224 -5.906 196 HG23 VAL 31 3HG2 VAL 31 -6.379 -9.427 -4.618 197 H ALA 32 H ALA 32 -5.825 -9.589 -7.762 198 HA ALA 32 HA ALA 32 -6.648 -12.029 -6.746 199 HB1 ALA 32 1HB ALA 32 -8.136 -11.311 -8.294 200 HB2 ALA 32 2HB ALA 32 -6.886 -10.665 -9.358 201 HB3 ALA 32 3HB ALA 32 -7.212 -12.398 -9.332 202 H ASP 33 H ASP 33 -4.021 -11.305 -8.973 203 HA ASP 33 HA ASP 33 -3.287 -14.158 -8.965 204 HB2 ASP 33 1HB ASP 33 -2.642 -11.987 -10.969 205 HB3 ASP 33 2HB ASP 33 -1.959 -13.611 -11.016 206 H LYS 34 H LYS 34 -2.661 -12.526 -6.770 207 HA LYS 34 HA LYS 34 0.222 -12.796 -6.774 208 HB2 LYS 34 1HB LYS 34 -1.068 -10.134 -6.146 209 HB3 LYS 34 2HB LYS 34 0.640 -10.517 -5.976 210 HG2 LYS 34 1HG LYS 34 0.542 -11.060 -8.493 211 HG3 LYS 34 2HG LYS 34 -0.969 -10.147 -8.470 212 HD2 LYS 34 1HD LYS 34 0.532 -8.481 -8.971 213 HD3 LYS 34 2HD LYS 34 0.493 -8.367 -7.210 214 HE2 LYS 34 1HE LYS 34 2.515 -10.012 -8.717 215 HE3 LYS 34 2HE LYS 34 2.784 -8.330 -8.265 216 HZ1 LYS 34 1HZ LYS 34 3.694 -9.362 -6.478 217 HZ2 LYS 34 2HZ LYS 34 2.681 -10.713 -6.577 218 HZ3 LYS 34 3HZ LYS 34 2.099 -9.267 -5.920 219 H ASP 35 H ASP 35 0.973 -13.408 -4.825 220 HA ASP 35 HA ASP 35 -0.903 -14.002 -2.752 221 HB2 ASP 35 1HB ASP 35 1.345 -15.203 -3.453 222 HB3 ASP 35 2HB ASP 35 2.045 -14.097 -2.276 223 H THR 36 H THR 36 1.860 -11.777 -3.007 224 HA THR 36 HA THR 36 0.676 -10.207 -0.813 225 HB THR 36 HB THR 36 3.650 -10.411 -1.263 226 HG1 THR 36 1HG THR 36 2.812 -12.484 -0.692 227 HG21 THR 36 1HG2 THR 36 3.676 -8.773 0.249 228 HG22 THR 36 2HG2 THR 36 2.994 -9.903 1.419 229 HG23 THR 36 3HG2 THR 36 1.929 -8.878 0.458 230 H VAL 37 H VAL 37 0.245 -8.170 -1.339 231 HA VAL 37 HA VAL 37 1.830 -6.871 -3.446 232 HB VAL 37 HB VAL 37 -1.185 -6.800 -3.249 233 HG11 VAL 37 1HG1 VAL 37 -0.451 -4.635 -3.901 234 HG12 VAL 37 2HG1 VAL 37 0.736 -5.304 -5.022 235 HG13 VAL 37 3HG1 VAL 37 -0.987 -5.458 -5.365 236 HG21 VAL 37 1HG2 VAL 37 -0.920 -7.715 -5.633 237 HG22 VAL 37 2HG2 VAL 37 0.727 -8.118 -5.150 238 HG23 VAL 37 3HG2 VAL 37 -0.641 -8.822 -4.288 239 H LEU 38 H LEU 38 2.718 -5.094 -2.648 240 HA LEU 38 HA LEU 38 1.762 -3.891 -0.220 241 HB2 LEU 38 1HB LEU 38 4.115 -3.984 -0.532 242 HB3 LEU 38 2HB LEU 38 3.998 -3.221 -2.117 243 HG LEU 38 HG LEU 38 3.053 -1.203 -0.725 244 HD11 LEU 38 1HD1 LEU 38 4.937 -1.851 1.373 245 HD12 LEU 38 2HD1 LEU 38 3.584 -2.981 1.334 246 HD13 LEU 38 3HD1 LEU 38 3.282 -1.250 1.485 247 HD21 LEU 38 1HD2 LEU 38 5.056 -0.205 -1.078 248 HD22 LEU 38 2HD2 LEU 38 5.353 -1.680 -1.998 249 HD23 LEU 38 3HD2 LEU 38 5.970 -1.528 -0.352 250 H LEU 39 H LEU 39 0.522 -2.132 0.019 251 HA LEU 39 HA LEU 39 -0.046 -0.491 -2.357 252 HB2 LEU 39 1HB LEU 39 -2.148 -1.018 -0.299 253 HB3 LEU 39 2HB LEU 39 -2.331 -0.494 -1.972 254 HG LEU 39 HG LEU 39 -1.280 -3.231 -1.424 255 HD11 LEU 39 1HD1 LEU 39 -4.131 -2.340 -1.106 256 HD12 LEU 39 2HD1 LEU 39 -3.144 -3.284 0.009 257 HD13 LEU 39 3HD1 LEU 39 -3.694 -4.002 -1.505 258 HD21 LEU 39 1HD2 LEU 39 -2.627 -3.668 -3.497 259 HD22 LEU 39 2HD2 LEU 39 -1.281 -2.546 -3.701 260 HD23 LEU 39 3HD2 LEU 39 -2.931 -1.933 -3.581 261 H GLU 40 H GLU 40 0.216 1.625 -2.057 262 HA GLU 40 HA GLU 40 0.347 2.625 0.712 263 HB2 GLU 40 1HB GLU 40 2.539 2.714 -0.276 264 HB3 GLU 40 2HB GLU 40 1.908 3.482 -1.726 265 HG2 GLU 40 1HG GLU 40 1.140 5.333 -0.045 266 HG3 GLU 40 2HG GLU 40 2.403 4.639 0.970 267 H PHE 41 H PHE 41 -1.214 3.991 1.235 268 HA PHE 41 HA PHE 41 -2.838 5.205 -0.846 269 HB2 PHE 41 1HB PHE 41 -3.126 5.177 2.165 270 HB3 PHE 41 2HB PHE 41 -4.275 5.927 1.062 271 HD1 PHE 41 2HD PHE 41 -2.804 2.717 2.122 272 HD2 PHE 41 1HD PHE 41 -5.886 4.642 -0.094 273 HE1 PHE 41 2HE PHE 41 -3.975 0.566 1.890 274 HE2 PHE 41 1HE PHE 41 -7.063 2.494 -0.328 275 HZ PHE 41 HZ PHE 41 -6.108 0.452 0.663 276 H TYR 42 H TYR 42 -3.071 7.383 -1.203 277 HA TYR 42 HA TYR 42 -1.652 9.295 0.452 278 HB2 TYR 42 1HB TYR 42 -0.145 10.080 -1.157 279 HB3 TYR 42 2HB TYR 42 -0.050 8.332 -1.334 280 HD1 TYR 42 2HD TYR 42 -1.595 11.378 -2.791 281 HD2 TYR 42 1HD TYR 42 -0.512 7.308 -3.398 282 HE1 TYR 42 2HE TYR 42 -2.134 11.597 -5.180 283 HE2 TYR 42 1HE TYR 42 -1.046 7.517 -5.790 284 HH TYR 42 HH TYR 42 -2.587 10.373 -7.086 285 H ALA 43 H ALA 43 -1.973 11.566 -0.427 286 HA ALA 43 HA ALA 43 -4.488 11.807 -1.925 287 HB1 ALA 43 1HB ALA 43 -5.541 12.348 -0.035 288 HB2 ALA 43 2HB ALA 43 -4.029 12.514 0.858 289 HB3 ALA 43 3HB ALA 43 -4.640 13.863 -0.099 290 HA PRO 44 HA PRO 44 -2.261 14.863 -4.188 291 HB2 PRO 44 1HB PRO 44 -4.367 16.163 -5.305 292 HB3 PRO 44 2HB PRO 44 -3.833 14.564 -5.837 293 HG2 PRO 44 1HG PRO 44 -6.085 15.296 -4.005 294 HG3 PRO 44 2HG PRO 44 -6.049 14.097 -5.311 295 HD2 PRO 44 1HD PRO 44 -5.797 13.418 -2.702 296 HD3 PRO 44 2HD PRO 44 -4.990 12.520 -4.004 297 H TRP 45 H TRP 45 -4.564 15.636 -1.732 298 HA TRP 45 HA TRP 45 -3.938 18.479 -1.791 299 HB2 TRP 45 1HB TRP 45 -5.533 18.523 0.195 300 HB3 TRP 45 2HB TRP 45 -6.225 18.044 -1.353 301 HD1 TRP 45 HD TRP 45 -7.270 15.653 -1.525 302 HE1 TRP 45 1HE TRP 45 -7.680 13.761 0.171 303 HE3 TRP 45 3HE TRP 45 -4.444 17.415 2.354 304 HZ2 TRP 45 2HZ TRP 45 -6.908 13.103 2.805 305 HZ3 TRP 45 3HZ TRP 45 -4.333 16.094 4.427 306 HH2 TRP 45 HH TRP 45 -5.541 13.984 4.646 307 H CYS 46 H CYS 46 -3.145 15.602 0.001 308 HA CYS 46 HA CYS 46 -1.966 16.984 2.224 309 HB2 CYS 46 1HB CYS 46 -2.934 14.601 2.201 310 HB3 CYS 46 2HB CYS 46 -1.413 14.125 1.455 311 HG CYS 46 HG CYS 46 -1.992 15.184 4.626 312 H GLY 47 H GLY 47 -0.430 18.395 1.392 313 HA2 GLY 47 1HA GLY 47 1.536 17.732 -0.503 314 HA3 GLY 47 2HA GLY 47 1.639 19.054 0.650 315 H HIS 48 H HIS 48 1.303 16.976 2.854 316 HA HIS 48 HA HIS 48 3.994 16.717 3.544 317 HB2 HIS 48 1HB HIS 48 1.754 16.430 4.933 318 HB3 HIS 48 2HB HIS 48 2.026 14.726 4.580 319 HD1 HIS 48 1HD HIS 48 3.259 13.591 6.381 320 HD2 HIS 48 2HD HIS 48 4.359 17.584 6.054 321 HE1 HIS 48 1HE HIS 48 4.970 13.967 8.186 322 HE2 HIS 48 2HE HIS 48 5.558 16.411 8.023 323 H CYS 49 H CYS 49 2.027 14.803 1.468 324 HA CYS 49 HA CYS 49 3.609 12.418 1.614 325 HB2 CYS 49 1HB CYS 49 1.353 12.110 0.958 326 HB3 CYS 49 2HB CYS 49 1.454 13.372 -0.263 327 HG CYS 49 HG CYS 49 3.354 11.789 -1.789 328 H LYS 50 H LYS 50 3.587 15.312 -0.346 329 HA LYS 50 HA LYS 50 5.065 14.562 -2.540 330 HB2 LYS 50 1HB LYS 50 5.227 17.147 -0.980 331 HB3 LYS 50 2HB LYS 50 5.891 16.912 -2.592 332 HG2 LYS 50 1HG LYS 50 3.657 16.474 -3.460 333 HG3 LYS 50 2HG LYS 50 2.983 16.681 -1.842 334 HD2 LYS 50 1HD LYS 50 3.271 18.952 -1.865 335 HD3 LYS 50 2HD LYS 50 4.655 18.874 -2.958 336 HE2 LYS 50 1HE LYS 50 2.815 17.992 -4.640 337 HE3 LYS 50 2HE LYS 50 1.742 18.886 -3.565 338 HZ1 LYS 50 1HZ LYS 50 3.229 20.834 -3.899 339 HZ2 LYS 50 2HZ LYS 50 2.417 20.339 -5.298 340 HZ3 LYS 50 3HZ LYS 50 4.051 19.955 -5.089 341 H GLN 51 H GLN 51 6.152 15.111 0.741 342 HA GLN 51 HA GLN 51 8.938 15.149 0.142 343 HB2 GLN 51 1HB GLN 51 9.271 15.385 2.400 344 HB3 GLN 51 2HB GLN 51 7.605 15.933 2.282 345 HG2 GLN 51 1HG GLN 51 6.835 13.702 2.944 346 HG3 GLN 51 2HG GLN 51 8.513 13.182 3.097 347 HE21 GLN 51 1HE2 GLN 51 9.432 13.375 5.014 348 HE22 GLN 51 2HE2 GLN 51 8.852 14.345 6.321 349 H PHE 52 H PHE 52 6.605 12.647 0.873 350 HA PHE 52 HA PHE 52 8.690 10.616 1.042 351 HB2 PHE 52 1HB PHE 52 6.706 10.630 2.599 352 HB3 PHE 52 2HB PHE 52 5.698 10.226 1.213 353 HD1 PHE 52 1HD PHE 52 8.881 9.029 2.757 354 HD2 PHE 52 2HD PHE 52 5.143 8.020 0.990 355 HE1 PHE 52 1HE PHE 52 9.363 6.641 3.109 356 HE2 PHE 52 2HE PHE 52 5.617 5.632 1.341 357 HZ PHE 52 HZ PHE 52 7.729 4.939 2.402 358 H ALA 53 H ALA 53 6.943 12.125 -1.342 359 HA ALA 53 HA ALA 53 6.067 10.166 -3.070 360 HB1 ALA 53 1HB ALA 53 5.604 11.975 -4.263 361 HB2 ALA 53 2HB ALA 53 6.646 12.945 -3.222 362 HB3 ALA 53 3HB ALA 53 7.315 12.155 -4.650 363 HA PRO 54 HA PRO 54 10.438 9.885 -5.091 364 HB2 PRO 54 1HB PRO 54 12.483 11.175 -3.858 365 HB3 PRO 54 2HB PRO 54 11.467 11.939 -5.086 366 HG2 PRO 54 1HG PRO 54 11.318 12.152 -2.104 367 HG3 PRO 54 2HG PRO 54 11.164 13.428 -3.326 368 HD2 PRO 54 1HD PRO 54 9.019 12.311 -2.108 369 HD3 PRO 54 2HD PRO 54 8.968 12.901 -3.782 370 H GLU 55 H GLU 55 9.848 9.704 -1.720 371 HA GLU 55 HA GLU 55 12.084 7.982 -1.116 372 HB2 GLU 55 1HB GLU 55 10.844 9.604 0.484 373 HB3 GLU 55 2HB GLU 55 9.660 8.312 0.626 374 HG2 GLU 55 1HG GLU 55 11.127 6.901 1.707 375 HG3 GLU 55 2HG GLU 55 12.550 7.728 1.076 376 H TYR 56 H TYR 56 8.669 7.636 -1.853 377 HA TYR 56 HA TYR 56 8.466 4.886 -1.179 378 HB2 TYR 56 1HB TYR 56 6.556 6.545 -1.475 379 HB3 TYR 56 2HB TYR 56 6.764 6.331 -3.209 380 HD1 TYR 56 1HD TYR 56 6.480 4.149 -0.179 381 HD2 TYR 56 2HD TYR 56 5.309 4.857 -4.208 382 HE1 TYR 56 1HE TYR 56 5.031 2.163 -0.101 383 HE2 TYR 56 2HE TYR 56 3.856 2.874 -4.140 384 HH TYR 56 HH TYR 56 2.793 1.419 -2.659 385 H GLU 57 H GLU 57 8.932 6.582 -4.269 386 HA GLU 57 HA GLU 57 8.963 4.398 -5.969 387 HB2 GLU 57 1HB GLU 57 10.701 6.860 -6.200 388 HB3 GLU 57 2HB GLU 57 10.248 5.778 -7.509 389 HG2 GLU 57 1HG GLU 57 8.057 6.531 -7.548 390 HG3 GLU 57 2HG GLU 57 8.153 7.196 -5.918 391 H LYS 58 H LYS 58 11.485 5.629 -3.865 392 HA LYS 58 HA LYS 58 13.619 4.098 -4.918 393 HB2 LYS 58 1HB LYS 58 13.136 5.478 -2.293 394 HB3 LYS 58 2HB LYS 58 14.569 4.487 -2.535 395 HG2 LYS 58 1HG LYS 58 15.261 5.886 -4.387 396 HG3 LYS 58 2HG LYS 58 13.789 6.849 -4.234 397 HD2 LYS 58 1HD LYS 58 14.463 7.699 -2.122 398 HD3 LYS 58 2HD LYS 58 15.781 6.532 -1.997 399 HE2 LYS 58 1HE LYS 58 16.531 7.703 -4.253 400 HE3 LYS 58 2HE LYS 58 15.596 9.039 -3.584 401 HZ1 LYS 58 1HZ LYS 58 17.627 7.665 -1.947 402 HZ2 LYS 58 2HZ LYS 58 17.004 9.228 -1.776 403 HZ3 LYS 58 3HZ LYS 58 18.081 8.880 -3.034 404 H ILE 59 H ILE 59 10.999 3.347 -2.788 405 HA ILE 59 HA ILE 59 12.205 0.983 -1.678 406 HB ILE 59 HB ILE 59 9.381 2.036 -1.621 407 HG12 ILE 59 1HG1 ILE 59 11.252 1.626 0.700 408 HG13 ILE 59 2HG1 ILE 59 11.320 3.089 -0.275 409 HG21 ILE 59 1HG2 ILE 59 10.418 -0.621 -0.950 410 HG22 ILE 59 2HG2 ILE 59 9.463 0.135 0.324 411 HG23 ILE 59 3HG2 ILE 59 8.767 -0.095 -1.280 412 HD11 ILE 59 1HD1 ILE 59 8.814 3.293 0.228 413 HD12 ILE 59 2HD1 ILE 59 9.125 2.117 1.505 414 HD13 ILE 59 3HD1 ILE 59 9.964 3.669 1.511 415 H ALA 60 H ALA 60 10.044 1.747 -4.336 416 HA ALA 60 HA ALA 60 9.092 -0.803 -4.935 417 HB1 ALA 60 1HB ALA 60 9.600 1.617 -6.635 418 HB2 ALA 60 2HB ALA 60 8.953 0.124 -7.317 419 HB3 ALA 60 3HB ALA 60 8.063 0.974 -6.054 420 H SER 61 H SER 61 11.897 0.878 -6.365 421 HA SER 61 HA SER 61 12.804 -1.212 -7.957 422 HB2 SER 61 1HB SER 61 13.601 1.271 -7.774 423 HB3 SER 61 2HB SER 61 14.749 0.628 -6.601 424 HG SER 61 HG SER 61 15.046 -1.004 -8.488 425 H THR 62 H THR 62 13.005 -0.775 -4.539 426 HA THR 62 HA THR 62 15.166 -2.608 -4.099 427 HB THR 62 HB THR 62 13.095 -1.599 -2.139 428 HG1 THR 62 1HG THR 62 14.650 -0.040 -1.641 429 HG21 THR 62 1HG2 THR 62 14.871 -3.679 -1.818 430 HG22 THR 62 2HG2 THR 62 14.151 -2.731 -0.517 431 HG23 THR 62 3HG2 THR 62 15.745 -2.306 -1.141 432 H LEU 63 H LEU 63 11.730 -2.807 -3.146 433 HA LEU 63 HA LEU 63 11.809 -5.592 -2.675 434 HB2 LEU 63 1HB LEU 63 9.472 -3.765 -3.211 435 HB3 LEU 63 2HB LEU 63 9.338 -5.427 -2.639 436 HG LEU 63 HG LEU 63 10.765 -3.261 -1.106 437 HD11 LEU 63 1HD1 LEU 63 8.244 -4.084 0.013 438 HD12 LEU 63 2HD1 LEU 63 8.023 -3.401 -1.598 439 HD13 LEU 63 3HD1 LEU 63 8.839 -2.463 -0.347 440 HD21 LEU 63 1HD2 LEU 63 10.102 -6.116 -0.659 441 HD22 LEU 63 2HD2 LEU 63 9.980 -5.026 0.722 442 HD23 LEU 63 3HD2 LEU 63 11.507 -5.182 -0.146 443 H LYS 64 H LYS 64 11.465 -3.728 -5.537 444 HA LYS 64 HA LYS 64 9.973 -5.391 -7.184 445 HB2 LYS 64 1HB LYS 64 10.575 -3.227 -7.977 446 HB3 LYS 64 2HB LYS 64 12.292 -3.560 -7.788 447 HG2 LYS 64 1HG LYS 64 12.022 -5.333 -9.560 448 HG3 LYS 64 2HG LYS 64 10.409 -4.676 -9.846 449 HD2 LYS 64 1HD LYS 64 12.893 -2.979 -9.928 450 HD3 LYS 64 2HD LYS 64 12.265 -3.816 -11.349 451 HE2 LYS 64 1HE LYS 64 10.770 -1.794 -9.681 452 HE3 LYS 64 2HE LYS 64 11.498 -1.494 -11.258 453 HZ1 LYS 64 1HZ LYS 64 9.017 -2.813 -10.595 454 HZ2 LYS 64 2HZ LYS 64 9.941 -3.624 -11.757 455 HZ3 LYS 64 3HZ LYS 64 9.475 -2.018 -12.017 456 H ASP 65 H ASP 65 13.503 -5.376 -6.704 457 HA ASP 65 HA ASP 65 13.665 -7.975 -8.045 458 HB2 ASP 65 1HB ASP 65 15.889 -6.135 -7.136 459 HB3 ASP 65 2HB ASP 65 16.081 -7.598 -8.099 460 H ASN 66 H ASN 66 12.734 -7.303 -5.190 461 HA ASN 66 HA ASN 66 14.671 -8.596 -3.505 462 HB2 ASN 66 1HB ASN 66 13.358 -6.950 -2.426 463 HB3 ASN 66 2HB ASN 66 11.857 -7.609 -3.071 464 HD21 ASN 66 1HD2 ASN 66 10.978 -9.467 -2.147 465 HD22 ASN 66 2HD2 ASN 66 11.453 -10.018 -0.580 466 H ASP 67 H ASP 67 14.037 -10.491 -2.144 467 HA ASP 67 HA ASP 67 12.462 -12.429 -3.710 468 HB2 ASP 67 1HB ASP 67 14.813 -12.986 -3.908 469 HB3 ASP 67 2HB ASP 67 15.015 -12.906 -2.160 470 HA PRO 68 HA PRO 68 11.097 -13.837 -3.716 471 HB2 PRO 68 1HB PRO 68 8.400 -13.640 -3.473 472 HB3 PRO 68 2HB PRO 68 9.320 -15.025 -2.874 473 HG2 PRO 68 1HG PRO 68 8.275 -12.654 -1.375 474 HG3 PRO 68 2HG PRO 68 8.257 -14.366 -0.913 475 HD2 PRO 68 1HD PRO 68 10.077 -12.614 0.061 476 HD3 PRO 68 2HD PRO 68 10.451 -14.328 -0.207 477 HA PRO 69 HA PRO 69 10.351 -10.058 -5.836 478 HB2 PRO 69 1HB PRO 69 8.730 -10.814 -7.878 479 HB3 PRO 69 2HB PRO 69 10.444 -11.239 -7.805 480 HG2 PRO 69 1HG PRO 69 8.052 -12.887 -7.082 481 HG3 PRO 69 2HG PRO 69 9.508 -13.360 -7.976 482 HD2 PRO 69 1HD PRO 69 9.152 -13.948 -5.357 483 HD3 PRO 69 2HD PRO 69 10.754 -13.630 -6.055 484 H ILE 70 H ILE 70 9.178 -8.462 -4.981 485 HA ILE 70 HA ILE 70 6.263 -8.835 -4.742 486 HB ILE 70 HB ILE 70 8.124 -7.177 -3.042 487 HG12 ILE 70 1HG1 ILE 70 6.170 -9.175 -1.989 488 HG13 ILE 70 2HG1 ILE 70 7.642 -9.768 -2.749 489 HG21 ILE 70 1HG2 ILE 70 5.158 -7.098 -3.357 490 HG22 ILE 70 2HG2 ILE 70 5.872 -6.790 -1.775 491 HG23 ILE 70 3HG2 ILE 70 6.304 -5.773 -3.149 492 HD11 ILE 70 1HD1 ILE 70 7.845 -9.574 -0.317 493 HD12 ILE 70 2HD1 ILE 70 8.987 -8.532 -1.167 494 HD13 ILE 70 3HD1 ILE 70 7.536 -7.842 -0.440 495 H ALA 71 H ALA 71 4.905 -7.222 -5.451 496 HA ALA 71 HA ALA 71 6.173 -5.154 -7.116 497 HB1 ALA 71 1HB ALA 71 4.211 -7.010 -7.745 498 HB2 ALA 71 2HB ALA 71 3.331 -5.493 -7.548 499 HB3 ALA 71 3HB ALA 71 4.668 -5.595 -8.695 500 H VAL 72 H VAL 72 6.151 -3.156 -6.345 501 HA VAL 72 HA VAL 72 4.327 -2.442 -4.192 502 HB VAL 72 HB VAL 72 6.562 -0.832 -5.435 503 HG11 VAL 72 1HG1 VAL 72 6.168 0.119 -2.901 504 HG12 VAL 72 2HG1 VAL 72 5.543 0.859 -4.376 505 HG13 VAL 72 3HG1 VAL 72 4.522 -0.225 -3.431 506 HG21 VAL 72 1HG2 VAL 72 6.468 -2.814 -3.219 507 HG22 VAL 72 2HG2 VAL 72 7.731 -2.513 -4.413 508 HG23 VAL 72 3HG2 VAL 72 7.528 -1.415 -3.047 509 H ALA 73 H ALA 73 2.607 -1.140 -4.389 510 HA ALA 73 HA ALA 73 2.312 0.506 -6.791 511 HB1 ALA 73 1HB ALA 73 0.859 -1.916 -6.299 512 HB2 ALA 73 2HB ALA 73 -0.246 -0.541 -6.313 513 HB3 ALA 73 3HB ALA 73 0.803 -0.844 -7.698 514 H LYS 74 H LYS 74 0.905 2.278 -6.555 515 HA LYS 74 HA LYS 74 0.188 2.883 -3.762 516 HB2 LYS 74 1HB LYS 74 0.576 5.220 -4.234 517 HB3 LYS 74 2HB LYS 74 2.001 4.299 -4.696 518 HG2 LYS 74 1HG LYS 74 1.274 4.376 -7.040 519 HG3 LYS 74 2HG LYS 74 -0.123 5.343 -6.559 520 HD2 LYS 74 1HD LYS 74 1.168 7.197 -6.062 521 HD3 LYS 74 2HD LYS 74 2.632 6.241 -5.819 522 HE2 LYS 74 1HE LYS 74 3.089 6.121 -8.061 523 HE3 LYS 74 2HE LYS 74 1.395 6.273 -8.525 524 HZ1 LYS 74 1HZ LYS 74 3.149 8.241 -8.773 525 HZ2 LYS 74 2HZ LYS 74 2.584 8.582 -7.216 526 HZ3 LYS 74 3HZ LYS 74 1.500 8.511 -8.512 527 H ILE 75 H ILE 75 -1.724 4.140 -3.404 528 HA ILE 75 HA ILE 75 -3.610 4.269 -5.642 529 HB ILE 75 HB ILE 75 -4.268 3.013 -2.975 530 HG12 ILE 75 1HG1 ILE 75 -4.530 1.608 -5.599 531 HG13 ILE 75 2HG1 ILE 75 -2.931 1.749 -4.877 532 HG21 ILE 75 1HG2 ILE 75 -6.438 2.483 -4.246 533 HG22 ILE 75 2HG2 ILE 75 -6.212 4.118 -3.627 534 HG23 ILE 75 3HG2 ILE 75 -5.946 3.778 -5.336 535 HD11 ILE 75 1HD1 ILE 75 -3.955 -0.357 -4.287 536 HD12 ILE 75 2HD1 ILE 75 -3.766 0.653 -2.854 537 HD13 ILE 75 3HD1 ILE 75 -5.349 0.485 -3.611 538 H ASP 76 H ASP 76 -5.303 5.777 -5.376 539 HA ASP 76 HA ASP 76 -4.717 7.832 -3.361 540 HB2 ASP 76 1HB ASP 76 -6.358 9.148 -4.963 541 HB3 ASP 76 2HB ASP 76 -4.656 8.950 -5.372 542 H ALA 77 H ALA 77 -5.830 6.833 -1.642 543 HA ALA 77 HA ALA 77 -8.265 5.708 -1.474 544 HB1 ALA 77 1HB ALA 77 -6.557 6.556 0.370 545 HB2 ALA 77 2HB ALA 77 -7.768 7.828 0.539 546 HB3 ALA 77 3HB ALA 77 -8.227 6.140 0.759 547 H THR 78 H THR 78 -7.684 9.205 -1.643 548 HA THR 78 HA THR 78 -10.217 10.189 -1.304 549 HB THR 78 HB THR 78 -9.591 12.089 -2.713 550 HG1 THR 78 1HG THR 78 -7.099 10.992 -3.325 551 HG21 THR 78 1HG2 THR 78 -7.400 12.643 -1.602 552 HG22 THR 78 2HG2 THR 78 -7.404 11.008 -0.940 553 HG23 THR 78 3HG2 THR 78 -8.686 12.139 -0.507 554 H SER 79 H SER 79 -8.813 8.853 -4.269 555 HA SER 79 HA SER 79 -11.238 9.289 -5.774 556 HB2 SER 79 1HB SER 79 -8.521 8.213 -6.354 557 HB3 SER 79 2HB SER 79 -9.841 7.702 -7.406 558 HG SER 79 HG SER 79 -8.515 10.001 -7.434 559 H ALA 80 H ALA 80 -9.579 6.581 -4.243 560 HA ALA 80 HA ALA 80 -11.730 4.765 -5.047 561 HB1 ALA 80 1HB ALA 80 -10.095 3.276 -5.196 562 HB2 ALA 80 2HB ALA 80 -8.937 4.455 -4.581 563 HB3 ALA 80 3HB ALA 80 -9.819 3.418 -3.460 564 H SER 81 H SER 81 -13.459 5.009 -3.751 565 HA SER 81 HA SER 81 -13.196 5.571 -0.940 566 HB2 SER 81 1HB SER 81 -15.066 6.508 -2.226 567 HB3 SER 81 2HB SER 81 -15.646 4.881 -2.583 568 HG SER 81 HG SER 81 -16.446 6.252 -0.625 569 H MET 82 H MET 82 -14.552 2.859 -2.818 570 HA MET 82 HA MET 82 -15.197 1.137 -0.793 571 HB2 MET 82 1HB MET 82 -15.571 0.746 -3.231 572 HB3 MET 82 2HB MET 82 -13.873 0.316 -3.383 573 HG2 MET 82 1HG MET 82 -14.392 -1.428 -1.551 574 HG3 MET 82 2HG MET 82 -16.074 -1.156 -2.002 575 HE1 MET 82 1HE MET 82 -12.611 -1.829 -3.081 576 HE2 MET 82 2HE MET 82 -12.722 -3.175 -4.215 577 HE3 MET 82 3HE MET 82 -12.861 -1.516 -4.798 578 H LEU 83 H LEU 83 -12.086 1.007 -2.542 579 HA LEU 83 HA LEU 83 -10.803 -0.784 -0.869 580 HB2 LEU 83 1HB LEU 83 -9.608 1.518 -2.405 581 HB3 LEU 83 2HB LEU 83 -8.696 0.173 -1.723 582 HG LEU 83 HG LEU 83 -10.832 -0.175 -3.819 583 HD11 LEU 83 1HD1 LEU 83 -8.862 -0.480 -5.365 584 HD12 LEU 83 2HD1 LEU 83 -7.875 0.282 -4.118 585 HD13 LEU 83 3HD1 LEU 83 -9.199 1.177 -4.863 586 HD21 LEU 83 1HD2 LEU 83 -8.546 -1.997 -3.120 587 HD22 LEU 83 2HD2 LEU 83 -9.991 -2.359 -4.064 588 HD23 LEU 83 3HD2 LEU 83 -10.116 -2.101 -2.323 589 H ALA 84 H ALA 84 -10.726 2.772 -0.723 590 HA ALA 84 HA ALA 84 -9.054 3.121 1.436 591 HB1 ALA 84 1HB ALA 84 -9.856 4.989 0.139 592 HB2 ALA 84 2HB ALA 84 -11.504 4.720 0.707 593 HB3 ALA 84 3HB ALA 84 -10.257 5.242 1.839 594 H SER 85 H SER 85 -12.570 2.590 1.489 595 HA SER 85 HA SER 85 -12.776 2.659 4.325 596 HB2 SER 85 1HB SER 85 -14.718 3.119 2.928 597 HB3 SER 85 2HB SER 85 -14.643 1.496 2.243 598 HG SER 85 HG SER 85 -15.735 2.341 4.587 599 H LYS 86 H LYS 86 -11.892 0.230 2.044 600 HA LYS 86 HA LYS 86 -12.534 -2.096 3.462 601 HB2 LYS 86 1HB LYS 86 -11.612 -1.771 1.046 602 HB3 LYS 86 2HB LYS 86 -10.034 -1.887 1.815 603 HG2 LYS 86 1HG LYS 86 -10.617 -4.086 2.695 604 HG3 LYS 86 2HG LYS 86 -12.207 -3.970 1.938 605 HD2 LYS 86 1HD LYS 86 -11.366 -4.251 -0.184 606 HD3 LYS 86 2HD LYS 86 -9.776 -3.616 0.247 607 HE2 LYS 86 1HE LYS 86 -9.493 -5.939 -0.098 608 HE3 LYS 86 2HE LYS 86 -9.463 -5.692 1.647 609 HZ1 LYS 86 1HZ LYS 86 -11.874 -6.536 0.137 610 HZ2 LYS 86 2HZ LYS 86 -11.695 -6.471 1.817 611 HZ3 LYS 86 3HZ LYS 86 -10.825 -7.609 0.918 612 H PHE 87 H PHE 87 -9.526 -0.195 3.444 613 HA PHE 87 HA PHE 87 -8.566 -1.728 5.745 614 HB2 PHE 87 1HB PHE 87 -7.075 0.388 4.188 615 HB3 PHE 87 2HB PHE 87 -6.399 -0.800 5.298 616 HD1 PHE 87 2HD PHE 87 -8.201 -0.490 2.066 617 HD2 PHE 87 1HD PHE 87 -5.625 -2.840 4.507 618 HE1 PHE 87 2HE PHE 87 -7.827 -2.029 0.184 619 HE2 PHE 87 1HE PHE 87 -5.247 -4.383 2.628 620 HZ PHE 87 HZ PHE 87 -6.349 -3.979 0.464 621 H ASP 88 H ASP 88 -10.708 0.414 5.736 622 HA ASP 88 HA ASP 88 -11.325 2.276 6.918 623 HB2 ASP 88 1HB ASP 88 -9.615 0.753 8.884 624 HB3 ASP 88 2HB ASP 88 -10.554 2.171 9.339 625 H VAL 89 H VAL 89 -9.290 2.915 5.181 626 HA VAL 89 HA VAL 89 -7.094 4.211 6.428 627 HB VAL 89 HB VAL 89 -8.281 4.665 3.687 628 HG11 VAL 89 1HG1 VAL 89 -5.442 5.212 4.071 629 HG12 VAL 89 2HG1 VAL 89 -6.680 6.167 3.253 630 HG13 VAL 89 3HG1 VAL 89 -6.492 6.278 5.004 631 HG21 VAL 89 1HG2 VAL 89 -5.873 3.328 3.432 632 HG22 VAL 89 2HG2 VAL 89 -6.642 2.552 4.816 633 HG23 VAL 89 3HG2 VAL 89 -7.482 2.624 3.267 634 H SER 90 H SER 90 -7.300 5.890 7.751 635 HA SER 90 HA SER 90 -9.128 8.063 6.971 636 HB2 SER 90 1HB SER 90 -9.815 6.578 9.001 637 HB3 SER 90 2HB SER 90 -8.555 7.465 9.858 638 HG SER 90 HG SER 90 -10.514 8.843 8.380 639 H GLY 91 H GLY 91 -6.541 8.112 6.144 640 HA2 GLY 91 1HA GLY 91 -5.584 10.566 6.888 641 HA3 GLY 91 2HA GLY 91 -4.825 9.451 8.015 642 H TYR 92 H TYR 92 -3.069 10.745 6.618 643 HA TYR 92 HA TYR 92 -1.826 8.740 5.000 644 HB2 TYR 92 1HB TYR 92 -2.251 11.306 3.522 645 HB3 TYR 92 2HB TYR 92 -1.906 9.699 2.893 646 HD1 TYR 92 2HD TYR 92 -4.564 11.785 4.420 647 HD2 TYR 92 1HD TYR 92 -3.649 8.270 2.205 648 HE1 TYR 92 2HE TYR 92 -6.958 11.458 3.961 649 HE2 TYR 92 1HE TYR 92 -6.040 7.934 1.738 650 HH TYR 92 HH TYR 92 -8.477 9.539 3.384 651 HA PRO 93 HA PRO 93 -0.143 8.888 3.352 652 HB2 PRO 93 1HB PRO 93 2.267 7.723 3.807 653 HB3 PRO 93 2HB PRO 93 2.082 9.218 2.883 654 HG2 PRO 93 1HG PRO 93 2.875 8.847 5.745 655 HG3 PRO 93 2HG PRO 93 3.560 9.939 4.527 656 HD2 PRO 93 1HD PRO 93 1.813 10.779 6.417 657 HD3 PRO 93 2HD PRO 93 1.881 11.495 4.794 658 H THR 94 H THR 94 -0.724 6.752 3.378 659 HA THR 94 HA THR 94 -0.502 5.303 5.927 660 HB THR 94 HB THR 94 -2.986 5.661 4.258 661 HG1 THR 94 1HG THR 94 -2.782 7.153 5.915 662 HG21 THR 94 1HG2 THR 94 -2.399 3.554 6.336 663 HG22 THR 94 2HG2 THR 94 -2.864 3.303 4.654 664 HG23 THR 94 3HG2 THR 94 -4.024 3.976 5.799 665 H ILE 95 H ILE 95 0.744 3.600 5.515 666 HA ILE 95 HA ILE 95 0.617 2.313 2.890 667 HB ILE 95 HB ILE 95 2.567 1.861 5.152 668 HG12 ILE 95 1HG1 ILE 95 3.055 3.284 2.534 669 HG13 ILE 95 2HG1 ILE 95 2.611 4.131 4.012 670 HG21 ILE 95 1HG2 ILE 95 3.655 1.035 2.711 671 HG22 ILE 95 2HG2 ILE 95 3.139 0.017 4.055 672 HG23 ILE 95 3HG2 ILE 95 2.015 0.388 2.747 673 HD11 ILE 95 1HD1 ILE 95 4.652 3.875 4.928 674 HD12 ILE 95 2HD1 ILE 95 4.903 2.288 4.199 675 HD13 ILE 95 3HD1 ILE 95 5.134 3.748 3.237 676 H LYS 96 H LYS 96 0.012 0.216 2.584 677 HA LYS 96 HA LYS 96 -0.745 -1.371 4.931 678 HB2 LYS 96 1HB LYS 96 -2.509 -0.765 2.555 679 HB3 LYS 96 2HB LYS 96 -2.830 -2.071 3.689 680 HG2 LYS 96 1HG LYS 96 -2.429 0.659 4.785 681 HG3 LYS 96 2HG LYS 96 -3.942 0.306 3.946 682 HD2 LYS 96 1HD LYS 96 -4.364 -1.561 5.439 683 HD3 LYS 96 2HD LYS 96 -2.814 -1.295 6.243 684 HE2 LYS 96 1HE LYS 96 -5.051 -0.352 7.256 685 HE3 LYS 96 2HE LYS 96 -3.551 0.571 7.344 686 HZ1 LYS 96 1HZ LYS 96 -5.561 1.835 6.592 687 HZ2 LYS 96 2HZ LYS 96 -5.532 0.922 5.168 688 HZ3 LYS 96 3HZ LYS 96 -4.228 1.928 5.554 689 H ILE 97 H ILE 97 -1.225 -3.677 4.309 690 HA ILE 97 HA ILE 97 0.250 -4.525 1.918 691 HB ILE 97 HB ILE 97 0.656 -5.691 4.675 692 HG12 ILE 97 1HG1 ILE 97 2.717 -4.375 2.912 693 HG13 ILE 97 2HG1 ILE 97 1.776 -3.465 4.089 694 HG21 ILE 97 1HG2 ILE 97 0.692 -7.149 2.463 695 HG22 ILE 97 2HG2 ILE 97 2.317 -6.475 2.344 696 HG23 ILE 97 3HG2 ILE 97 1.851 -7.406 3.767 697 HD11 ILE 97 1HD1 ILE 97 3.101 -4.109 5.739 698 HD12 ILE 97 2HD1 ILE 97 2.945 -5.807 5.288 699 HD13 ILE 97 3HD1 ILE 97 4.170 -4.798 4.518 700 H LEU 98 H LEU 98 -0.735 -6.095 0.804 701 HA LEU 98 HA LEU 98 -3.114 -7.329 1.999 702 HB2 LEU 98 1HB LEU 98 -3.143 -5.999 -0.206 703 HB3 LEU 98 2HB LEU 98 -2.380 -7.424 -0.907 704 HG LEU 98 HG LEU 98 -4.441 -8.667 0.127 705 HD11 LEU 98 1HD1 LEU 98 -6.373 -7.440 0.468 706 HD12 LEU 98 2HD1 LEU 98 -5.754 -6.030 -0.390 707 HD13 LEU 98 3HD1 LEU 98 -5.138 -6.426 1.214 708 HD21 LEU 98 1HD2 LEU 98 -5.212 -7.032 -2.218 709 HD22 LEU 98 2HD2 LEU 98 -5.272 -8.778 -1.981 710 HD23 LEU 98 3HD2 LEU 98 -3.738 -7.991 -2.356 711 H LYS 99 H LYS 99 -3.106 -9.407 2.536 712 HA LYS 99 HA LYS 99 -1.012 -11.139 1.395 713 HB2 LYS 99 1HB LYS 99 -0.838 -10.578 3.867 714 HB3 LYS 99 2HB LYS 99 -2.314 -11.509 4.092 715 HG2 LYS 99 1HG LYS 99 -0.223 -12.759 4.580 716 HG3 LYS 99 2HG LYS 99 -1.250 -13.513 3.358 717 HD2 LYS 99 1HD LYS 99 0.176 -12.872 1.607 718 HD3 LYS 99 2HD LYS 99 1.013 -11.685 2.610 719 HE2 LYS 99 1HE LYS 99 2.121 -13.378 3.844 720 HE3 LYS 99 2HE LYS 99 1.089 -14.640 3.172 721 HZ1 LYS 99 1HZ LYS 99 2.382 -14.828 1.386 722 HZ2 LYS 99 2HZ LYS 99 3.539 -13.939 2.242 723 HZ3 LYS 99 3HZ LYS 99 2.498 -13.155 1.163 724 H LYS 100 H LYS 100 -2.160 -12.068 -0.249 725 HA LYS 100 HA LYS 100 -3.703 -13.366 -1.314 726 HB2 LYS 100 1HB LYS 100 -3.863 -14.745 1.371 727 HB3 LYS 100 2HB LYS 100 -4.290 -15.436 -0.188 728 HG2 LYS 100 1HG LYS 100 -1.907 -15.135 -0.882 729 HG3 LYS 100 2HG LYS 100 -1.548 -14.671 0.783 730 HD2 LYS 100 1HD LYS 100 -1.059 -16.926 0.811 731 HD3 LYS 100 2HD LYS 100 -2.733 -16.919 1.371 732 HE2 LYS 100 1HE LYS 100 -3.505 -17.455 -0.870 733 HE3 LYS 100 2HE LYS 100 -1.850 -17.390 -1.476 734 HZ1 LYS 100 1HZ LYS 100 -2.690 -19.264 0.657 735 HZ2 LYS 100 2HZ LYS 100 -1.276 -19.307 -0.270 736 HZ3 LYS 100 3HZ LYS 100 -2.767 -19.665 -0.984 737 H GLY 101 H GLY 101 -4.673 -10.985 0.194 738 HA2 GLY 101 1HA GLY 101 -6.924 -10.175 -0.093 739 HA3 GLY 101 2HA GLY 101 -7.506 -11.790 0.285 740 H GLN 102 H GLN 102 -4.948 -10.732 2.263 741 HA GLN 102 HA GLN 102 -6.865 -10.110 4.411 742 HB2 GLN 102 1HB GLN 102 -4.286 -11.626 4.395 743 HB3 GLN 102 2HB GLN 102 -4.780 -10.791 5.862 744 HG2 GLN 102 1HG GLN 102 -5.687 -12.839 6.246 745 HG3 GLN 102 2HG GLN 102 -7.040 -12.056 5.432 746 HE21 GLN 102 1HE2 GLN 102 -7.883 -13.036 3.729 747 HE22 GLN 102 2HE2 GLN 102 -7.158 -14.337 2.853 748 H ALA 103 H ALA 103 -6.826 -8.109 5.175 749 HA ALA 103 HA ALA 103 -4.797 -6.252 4.327 750 HB1 ALA 103 1HB ALA 103 -6.157 -4.650 5.769 751 HB2 ALA 103 2HB ALA 103 -6.967 -5.360 4.372 752 HB3 ALA 103 3HB ALA 103 -7.284 -5.989 5.989 753 H VAL 104 H VAL 104 -2.927 -5.976 5.333 754 HA VAL 104 HA VAL 104 -2.767 -6.574 8.214 755 HB VAL 104 HB VAL 104 -0.603 -6.653 6.108 756 HG11 VAL 104 1HG1 VAL 104 0.875 -7.430 7.913 757 HG12 VAL 104 2HG1 VAL 104 0.306 -5.781 8.184 758 HG13 VAL 104 3HG1 VAL 104 -0.408 -7.121 9.082 759 HG21 VAL 104 1HG2 VAL 104 -2.019 -8.774 7.704 760 HG22 VAL 104 2HG2 VAL 104 -1.934 -8.604 5.950 761 HG23 VAL 104 3HG2 VAL 104 -0.497 -9.065 6.862 762 H ASP 105 H ASP 105 -3.192 -4.618 9.131 763 HA ASP 105 HA ASP 105 -2.376 -2.118 8.187 764 HB2 ASP 105 1HB ASP 105 -4.027 -2.842 10.129 765 HB3 ASP 105 2HB ASP 105 -2.602 -2.573 11.129 766 H TYR 106 H TYR 106 -0.508 -1.037 8.238 767 HA TYR 106 HA TYR 106 1.789 -2.328 9.501 768 HB2 TYR 106 1HB TYR 106 2.066 -1.739 7.167 769 HB3 TYR 106 2HB TYR 106 1.608 -0.072 7.495 770 HD1 TYR 106 2HD TYR 106 4.097 -2.552 8.790 771 HD2 TYR 106 1HD TYR 106 3.339 1.442 7.534 772 HE1 TYR 106 2HE TYR 106 6.458 -1.988 9.180 773 HE2 TYR 106 1HE TYR 106 5.699 2.017 7.920 774 HH TYR 106 HH TYR 106 7.717 1.252 8.458 775 H ASP 107 H ASP 107 0.591 1.015 9.134 776 HA ASP 107 HA ASP 107 1.083 2.875 10.415 777 HB2 ASP 107 1HB ASP 107 0.100 2.600 12.730 778 HB3 ASP 107 2HB ASP 107 -0.969 2.165 11.399 779 H GLY 108 H GLY 108 3.468 1.737 10.034 780 HA2 GLY 108 1HA GLY 108 4.705 1.753 12.720 781 HA3 GLY 108 2HA GLY 108 5.293 0.748 11.404 782 H SER 109 H SER 109 7.311 1.939 12.122 783 HA SER 109 HA SER 109 7.693 4.666 11.649 784 HB2 SER 109 1HB SER 109 9.499 2.292 11.825 785 HB3 SER 109 2HB SER 109 10.162 3.807 11.212 786 HG SER 109 HG SER 109 8.968 4.629 13.256 787 H ARG 110 H ARG 110 7.688 5.817 9.844 788 HA ARG 110 HA ARG 110 7.484 4.547 7.280 789 HB2 ARG 110 1HB ARG 110 6.210 6.565 7.737 790 HB3 ARG 110 2HB ARG 110 7.689 7.461 8.055 791 HG2 ARG 110 1HG ARG 110 8.277 7.543 5.820 792 HG3 ARG 110 2HG ARG 110 7.261 6.163 5.399 793 HD2 ARG 110 1HD ARG 110 6.380 8.354 4.610 794 HD3 ARG 110 2HD ARG 110 5.272 7.467 5.655 795 HE ARG 110 HE ARG 110 5.413 9.164 7.179 796 HH11 ARG 110 2HH1 ARG 110 8.059 9.435 4.933 797 HH12 ARG 110 1HH1 ARG 110 8.590 10.968 5.542 798 HH21 ARG 110 2HH2 ARG 110 6.103 11.182 7.990 799 HH22 ARG 110 1HH2 ARG 110 7.477 11.960 7.281 800 H THR 111 H THR 111 9.412 3.489 6.876 801 HA THR 111 HA THR 111 11.579 5.195 5.968 802 HB THR 111 HB THR 111 13.222 3.549 7.161 803 HG1 THR 111 1HG THR 111 10.954 3.446 8.889 804 HG21 THR 111 1HG2 THR 111 12.574 6.102 7.593 805 HG22 THR 111 2HG2 THR 111 13.688 5.221 8.640 806 HG23 THR 111 3HG2 THR 111 12.001 5.420 9.114 807 H GLN 112 H GLN 112 12.487 4.416 4.161 808 HA GLN 112 HA GLN 112 11.459 2.439 2.623 809 HB2 GLN 112 1HB GLN 112 13.080 3.944 1.706 810 HB3 GLN 112 2HB GLN 112 14.327 3.360 2.800 811 HG2 GLN 112 1HG GLN 112 13.893 1.076 1.624 812 HG3 GLN 112 2HG GLN 112 13.207 2.085 0.352 813 HE21 GLN 112 1HE2 GLN 112 14.750 4.166 0.097 814 HE22 GLN 112 2HE2 GLN 112 16.391 3.740 -0.235 815 H GLU 113 H GLU 113 13.804 2.056 5.209 816 HA GLU 113 HA GLU 113 14.405 -0.674 4.658 817 HB2 GLU 113 1HB GLU 113 14.717 0.897 7.223 818 HB3 GLU 113 2HB GLU 113 15.435 -0.674 6.895 819 HG2 GLU 113 1HG GLU 113 16.003 1.586 5.045 820 HG3 GLU 113 2HG GLU 113 16.816 1.526 6.608 821 H GLU 114 H GLU 114 12.727 0.682 7.498 822 HA GLU 114 HA GLU 114 11.620 -1.630 8.464 823 HB2 GLU 114 1HB GLU 114 10.318 1.099 8.456 824 HB3 GLU 114 2HB GLU 114 9.903 -0.233 9.527 825 HG2 GLU 114 1HG GLU 114 12.703 0.787 9.464 826 HG3 GLU 114 2HG GLU 114 11.464 1.678 10.346 827 H ILE 115 H ILE 115 9.877 0.689 6.383 828 HA ILE 115 HA ILE 115 7.571 -0.665 5.924 829 HB ILE 115 HB ILE 115 9.163 0.840 3.845 830 HG12 ILE 115 1HG1 ILE 115 6.837 1.861 5.465 831 HG13 ILE 115 2HG1 ILE 115 8.494 1.995 6.043 832 HG21 ILE 115 1HG2 ILE 115 6.391 1.071 3.399 833 HG22 ILE 115 2HG2 ILE 115 7.592 0.272 2.386 834 HG23 ILE 115 3HG2 ILE 115 6.733 -0.644 3.623 835 HD11 ILE 115 1HD1 ILE 115 7.994 2.975 3.312 836 HD12 ILE 115 2HD1 ILE 115 7.260 3.896 4.626 837 HD13 ILE 115 3HD1 ILE 115 9.004 3.639 4.595 838 H VAL 116 H VAL 116 10.725 -1.398 4.598 839 HA VAL 116 HA VAL 116 9.675 -3.409 2.789 840 HB VAL 116 HB VAL 116 12.464 -2.472 3.426 841 HG11 VAL 116 1HG1 VAL 116 12.944 -4.071 1.372 842 HG12 VAL 116 2HG1 VAL 116 13.006 -4.655 3.036 843 HG13 VAL 116 3HG1 VAL 116 11.574 -4.950 2.050 844 HG21 VAL 116 1HG2 VAL 116 12.476 -1.679 1.174 845 HG22 VAL 116 2HG2 VAL 116 10.954 -2.496 0.818 846 HG23 VAL 116 3HG2 VAL 116 10.980 -1.125 1.926 847 H ALA 117 H ALA 117 11.128 -3.219 5.950 848 HA ALA 117 HA ALA 117 11.922 -5.907 6.232 849 HB1 ALA 117 1HB ALA 117 12.319 -3.754 7.725 850 HB2 ALA 117 2HB ALA 117 10.950 -4.424 8.613 851 HB3 ALA 117 3HB ALA 117 12.413 -5.384 8.394 852 H LYS 118 H LYS 118 8.828 -4.344 6.452 853 HA LYS 118 HA LYS 118 7.582 -6.668 7.692 854 HB2 LYS 118 1HB LYS 118 6.732 -4.633 8.533 855 HB3 LYS 118 2HB LYS 118 6.594 -3.930 6.927 856 HG2 LYS 118 1HG LYS 118 4.401 -4.420 7.623 857 HG3 LYS 118 2HG LYS 118 4.829 -5.667 6.449 858 HD2 LYS 118 1HD LYS 118 3.930 -6.976 8.094 859 HD3 LYS 118 2HD LYS 118 5.613 -6.946 8.627 860 HE2 LYS 118 1HE LYS 118 5.132 -5.222 10.227 861 HE3 LYS 118 2HE LYS 118 3.493 -5.039 9.606 862 HZ1 LYS 118 1HZ LYS 118 3.949 -6.451 11.726 863 HZ2 LYS 118 2HZ LYS 118 4.348 -7.661 10.613 864 HZ3 LYS 118 3HZ LYS 118 2.804 -6.969 10.592 865 H VAL 119 H VAL 119 7.707 -4.996 4.600 866 HA VAL 119 HA VAL 119 5.668 -6.522 3.336 867 HB VAL 119 HB VAL 119 7.909 -4.834 2.237 868 HG11 VAL 119 1HG1 VAL 119 6.200 -6.768 0.865 869 HG12 VAL 119 2HG1 VAL 119 6.156 -5.149 0.162 870 HG13 VAL 119 3HG1 VAL 119 7.694 -5.996 0.334 871 HG21 VAL 119 1HG2 VAL 119 5.766 -3.940 3.443 872 HG22 VAL 119 2HG2 VAL 119 6.343 -3.167 1.966 873 HG23 VAL 119 3HG2 VAL 119 4.992 -4.299 1.899 874 H ARG 120 H ARG 120 9.101 -6.961 3.811 875 HA ARG 120 HA ARG 120 9.297 -9.130 1.916 876 HB2 ARG 120 1HB ARG 120 11.591 -9.241 2.497 877 HB3 ARG 120 2HB ARG 120 11.177 -7.532 2.498 878 HG2 ARG 120 1HG ARG 120 11.149 -7.447 4.864 879 HG3 ARG 120 2HG ARG 120 11.223 -9.205 4.993 880 HD2 ARG 120 1HD ARG 120 13.415 -8.709 5.377 881 HD3 ARG 120 2HD ARG 120 13.454 -8.851 3.620 882 HE ARG 120 HE ARG 120 12.899 -6.206 4.149 883 HH11 ARG 120 2HH1 ARG 120 15.461 -8.450 4.873 884 HH12 ARG 120 1HH1 ARG 120 16.692 -7.231 4.918 885 HH21 ARG 120 2HH2 ARG 120 14.511 -4.593 4.206 886 HH22 ARG 120 1HH2 ARG 120 16.150 -5.038 4.539 887 H GLU 121 H GLU 121 8.926 -8.736 5.384 888 HA GLU 121 HA GLU 121 9.385 -11.473 6.040 889 HB2 GLU 121 1HB GLU 121 8.999 -10.865 8.217 890 HB3 GLU 121 2HB GLU 121 9.397 -9.294 7.535 891 HG2 GLU 121 1HG GLU 121 7.062 -8.727 7.365 892 HG3 GLU 121 2HG GLU 121 6.600 -10.338 7.912 893 H VAL 122 H VAL 122 6.434 -9.505 5.742 894 HA VAL 122 HA VAL 122 4.552 -11.448 6.322 895 HB VAL 122 HB VAL 122 4.354 -9.163 4.358 896 HG11 VAL 122 1HG1 VAL 122 1.907 -9.417 4.612 897 HG12 VAL 122 2HG1 VAL 122 2.663 -10.798 3.815 898 HG13 VAL 122 3HG1 VAL 122 2.183 -10.911 5.508 899 HG21 VAL 122 1HG2 VAL 122 3.564 -7.859 6.091 900 HG22 VAL 122 2HG2 VAL 122 3.084 -9.251 7.062 901 HG23 VAL 122 3HG2 VAL 122 4.790 -8.831 6.905 902 H SER 123 H SER 123 6.008 -10.656 3.181 903 HA SER 123 HA SER 123 4.580 -12.314 1.524 904 HB2 SER 123 1HB SER 123 6.285 -12.056 -0.031 905 HB3 SER 123 2HB SER 123 6.586 -10.691 1.044 906 HG SER 123 HG SER 123 8.320 -11.682 1.852 907 H GLN 124 H GLN 124 7.086 -13.163 3.814 908 HA GLN 124 HA GLN 124 7.675 -15.748 2.932 909 HB2 GLN 124 1HB GLN 124 7.622 -14.748 5.784 910 HB3 GLN 124 2HB GLN 124 8.482 -16.166 5.199 911 HG2 GLN 124 1HG GLN 124 9.034 -13.308 4.434 912 HG3 GLN 124 2HG GLN 124 9.998 -14.307 5.521 913 HE21 GLN 124 1HE2 GLN 124 9.899 -13.099 2.513 914 HE22 GLN 124 2HE2 GLN 124 10.827 -14.288 1.670 915 HA PRO 125 HA PRO 125 3.975 -17.998 3.745 916 HB2 PRO 125 1HB PRO 125 5.031 -20.497 3.834 917 HB3 PRO 125 2HB PRO 125 4.822 -19.596 2.328 918 HG2 PRO 125 1HG PRO 125 7.284 -19.956 3.992 919 HG3 PRO 125 2HG PRO 125 7.105 -20.024 2.229 920 HD2 PRO 125 1HD PRO 125 8.064 -17.842 3.513 921 HD3 PRO 125 2HD PRO 125 7.122 -17.729 2.013 922 H ASP 126 H ASP 126 6.776 -18.224 5.817 923 HA ASP 126 HA ASP 126 5.454 -19.714 7.888 924 HB2 ASP 126 1HB ASP 126 8.016 -19.497 7.347 925 HB3 ASP 126 2HB ASP 126 7.911 -18.075 8.382 926 H TRP 127 H TRP 127 5.904 -16.359 7.083 927 HA TRP 127 HA TRP 127 5.480 -15.114 9.513 928 HB2 TRP 127 1HB TRP 127 6.062 -13.818 7.573 929 HB3 TRP 127 2HB TRP 127 4.584 -14.299 6.744 930 HD1 TRP 127 HD TRP 127 5.936 -11.767 9.196 931 HE1 TRP 127 1HE TRP 127 4.087 -10.074 9.781 932 HE3 TRP 127 3HE TRP 127 1.953 -14.138 7.040 933 HZ2 TRP 127 2HZ TRP 127 1.308 -9.782 9.381 934 HZ3 TRP 127 3HZ TRP 127 -0.267 -13.085 7.186 935 HH2 TRP 127 HH TRP 127 -0.580 -10.953 8.333 936 H THR 128 H THR 128 3.689 -14.459 10.673 937 HA THR 128 HA THR 128 1.070 -15.451 9.791 938 HB THR 128 HB THR 128 0.621 -16.096 12.212 939 HG1 THR 128 1HG THR 128 2.372 -15.196 13.254 940 HG21 THR 128 1HG2 THR 128 1.536 -18.309 11.943 941 HG22 THR 128 2HG2 THR 128 2.729 -17.719 10.785 942 HG23 THR 128 3HG2 THR 128 1.016 -17.718 10.365 943 HA PRO 129 HA PRO 129 -0.388 -11.497 11.047 944 HB2 PRO 129 1HB PRO 129 -2.986 -12.095 11.559 945 HB3 PRO 129 2HB PRO 129 -2.325 -12.009 9.922 946 HG2 PRO 129 1HG PRO 129 -2.839 -14.411 11.633 947 HG3 PRO 129 2HG PRO 129 -3.166 -14.177 9.906 948 HD2 PRO 129 1HD PRO 129 -1.008 -15.542 10.808 949 HD3 PRO 129 2HD PRO 129 -0.980 -14.595 9.307 950 HA PRO 130 HA PRO 130 0.071 -11.709 15.485 951 HB2 PRO 130 1HB PRO 130 0.037 -9.025 15.893 952 HB3 PRO 130 2HB PRO 130 1.453 -9.885 15.276 953 HG2 PRO 130 1HG PRO 130 -0.617 -8.324 13.778 954 HG3 PRO 130 2HG PRO 130 1.144 -8.335 13.570 955 HD2 PRO 130 1HD PRO 130 -0.524 -9.723 11.949 956 HD3 PRO 130 2HD PRO 130 1.113 -10.287 12.344 957 HA PRO 131 HA PRO 131 -4.210 -11.458 16.646 958 HB2 PRO 131 1HB PRO 131 -3.857 -11.963 19.290 959 HB3 PRO 131 2HB PRO 131 -3.766 -13.220 18.051 960 HG2 PRO 131 1HG PRO 131 -1.550 -11.742 19.418 961 HG3 PRO 131 2HG PRO 131 -1.675 -13.470 19.038 962 HD2 PRO 131 1HD PRO 131 -0.220 -11.749 17.536 963 HD3 PRO 131 2HD PRO 131 -1.043 -13.162 16.843 964 H GLU 132 H GLU 132 -5.285 -10.497 18.844 965 HA GLU 132 HA GLU 132 -6.043 -8.518 19.703 966 HB2 GLU 132 1HB GLU 132 -3.144 -8.681 20.358 967 HB3 GLU 132 2HB GLU 132 -3.968 -7.165 20.693 968 HG2 GLU 132 1HG GLU 132 -5.685 -8.546 21.948 969 HG3 GLU 132 2HG GLU 132 -4.541 -9.881 21.828 970 H VAL 133 H VAL 133 -5.839 -8.354 16.964 971 HA VAL 133 HA VAL 133 -4.365 -6.460 15.720 972 HB VAL 133 HB VAL 133 -6.265 -7.794 14.723 973 HG11 VAL 133 1HG1 VAL 133 -8.156 -5.594 15.056 974 HG12 VAL 133 2HG1 VAL 133 -8.415 -7.337 15.149 975 HG13 VAL 133 3HG1 VAL 133 -7.805 -6.458 16.552 976 HG21 VAL 133 1HG2 VAL 133 -6.662 -6.216 12.956 977 HG22 VAL 133 2HG2 VAL 133 -6.247 -4.864 14.009 978 HG23 VAL 133 3HG2 VAL 133 -5.004 -6.016 13.523 979 H THR 134 H THR 134 -4.290 -4.254 15.529 980 HA THR 134 HA THR 134 -4.947 -2.696 17.764 981 HB THR 134 HB THR 134 -4.389 -0.734 16.340 982 HG1 THR 134 1HG THR 134 -3.727 -2.509 14.254 983 HG21 THR 134 1HG2 THR 134 -2.703 -2.457 17.411 984 HG22 THR 134 2HG2 THR 134 -2.131 -1.156 16.366 985 HG23 THR 134 3HG2 THR 134 -2.319 -2.787 15.722 986 H SER 135 H SER 135 -6.303 -2.380 14.476 987 HA SER 135 HA SER 135 -8.344 -0.638 15.014 988 HB2 SER 135 1HB SER 135 -9.524 -1.623 13.063 989 HB3 SER 135 2HB SER 135 -7.811 -1.346 12.744 990 HG SER 135 HG SER 135 -7.435 -3.539 13.054 991 H GLY 136 H GLY 136 -10.033 -0.683 16.333 992 HA2 GLY 136 1HA GLY 136 -11.016 -3.304 17.255 993 HA3 GLY 136 2HA GLY 136 -11.161 -1.800 18.151 994 HA PRO 137 HA PRO 137 -14.453 -1.868 14.561 995 HB2 PRO 137 1HB PRO 137 -15.168 -4.368 13.779 996 HB3 PRO 137 2HB PRO 137 -13.889 -3.442 12.985 997 HG2 PRO 137 1HG PRO 137 -13.664 -5.608 15.039 998 HG3 PRO 137 2HG PRO 137 -12.702 -5.354 13.570 999 HD2 PRO 137 1HD PRO 137 -11.821 -4.644 16.031 1000 HD3 PRO 137 2HD PRO 137 -11.381 -3.747 14.563 1001 H SER 138 H SER 138 -14.157 -3.349 17.486 1002 HA SER 138 HA SER 138 -15.596 -3.811 19.186 1003 HB2 SER 138 1HB SER 138 -17.752 -2.569 17.469 1004 HB3 SER 138 2HB SER 138 -17.736 -2.723 19.226 1005 HG SER 138 HG SER 138 -16.522 -0.860 17.605 1006 H SER 139 H SER 139 -15.059 -5.965 17.785 1007 HA SER 139 HA SER 139 -17.655 -7.278 17.312 1008 HB2 SER 139 1HB SER 139 -16.505 -8.805 15.786 1009 HB3 SER 139 2HB SER 139 -16.247 -7.134 15.283 1010 HG SER 139 HG SER 139 -14.212 -7.274 16.453 1011 H GLY 140 H GLY 140 -14.322 -7.895 18.413 1012 HA2 GLY 140 1HA GLY 140 -14.968 -10.379 19.654 1013 HA3 GLY 140 2HA GLY 140 -13.487 -9.460 19.880 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.707 -19.946 -15.044 2 HA2 GLY 1 1HA GLY 1 -0.378 -21.813 -15.999 3 HA3 GLY 1 2HA GLY 1 -0.691 -20.539 -14.829 4 H SER 2 H SER 2 -0.752 -18.368 -15.526 5 HA SER 2 HA SER 2 -1.294 -16.674 -16.945 6 HB2 SER 2 1HB SER 2 0.985 -17.532 -17.929 7 HB3 SER 2 2HB SER 2 -0.029 -18.119 -19.247 8 HG SER 2 HG SER 2 -0.886 -15.777 -19.034 9 H SER 3 H SER 3 -3.219 -18.642 -16.536 10 HA SER 3 HA SER 3 -4.551 -18.746 -19.163 11 HB2 SER 3 1HB SER 3 -5.652 -20.789 -18.490 12 HB3 SER 3 2HB SER 3 -3.918 -20.986 -18.239 13 HG SER 3 HG SER 3 -4.582 -21.587 -16.320 14 H GLY 4 H GLY 4 -6.489 -17.792 -19.337 15 HA2 GLY 4 1HA GLY 4 -8.688 -17.361 -18.345 16 HA3 GLY 4 2HA GLY 4 -7.854 -16.997 -16.841 17 H SER 5 H SER 5 -7.050 -15.935 -20.123 18 HA SER 5 HA SER 5 -7.007 -13.182 -19.176 19 HB2 SER 5 1HB SER 5 -5.930 -12.680 -21.329 20 HB3 SER 5 2HB SER 5 -5.108 -14.006 -20.506 21 HG SER 5 HG SER 5 -6.750 -15.290 -21.892 22 H SER 6 H SER 6 -9.281 -12.900 -18.937 23 HA SER 6 HA SER 6 -10.942 -13.058 -21.315 24 HB2 SER 6 1HB SER 6 -11.654 -12.106 -18.530 25 HB3 SER 6 2HB SER 6 -12.788 -12.467 -19.832 26 HG SER 6 HG SER 6 -12.102 -14.133 -18.063 27 H GLY 7 H GLY 7 -11.389 -11.407 -22.626 28 HA2 GLY 7 1HA GLY 7 -11.593 -9.262 -23.431 29 HA3 GLY 7 2HA GLY 7 -11.598 -8.707 -21.763 30 H ASP 8 H ASP 8 -10.097 -8.181 -24.522 31 HA ASP 8 HA ASP 8 -7.358 -8.178 -23.524 32 HB2 ASP 8 1HB ASP 8 -6.997 -7.127 -25.898 33 HB3 ASP 8 2HB ASP 8 -7.333 -8.849 -25.741 34 H ASP 9 H ASP 9 -6.060 -6.271 -23.498 35 HA ASP 9 HA ASP 9 -5.736 -4.186 -22.577 36 HB2 ASP 9 1HB ASP 9 -7.155 -3.871 -25.176 37 HB3 ASP 9 2HB ASP 9 -6.944 -2.431 -24.185 38 H ASP 10 H ASP 10 -7.637 -5.385 -21.078 39 HA ASP 10 HA ASP 10 -9.796 -3.414 -20.779 40 HB2 ASP 10 1HB ASP 10 -10.131 -6.025 -20.937 41 HB3 ASP 10 2HB ASP 10 -9.715 -5.969 -19.226 42 H LEU 11 H LEU 11 -7.956 -5.483 -18.530 43 HA LEU 11 HA LEU 11 -8.087 -3.424 -16.500 44 HB2 LEU 11 1HB LEU 11 -6.563 -5.266 -15.344 45 HB3 LEU 11 2HB LEU 11 -8.318 -5.402 -15.431 46 HG LEU 11 HG LEU 11 -6.596 -6.662 -17.533 47 HD11 LEU 11 1HD1 LEU 11 -6.441 -7.289 -14.788 48 HD12 LEU 11 2HD1 LEU 11 -5.756 -8.174 -16.151 49 HD13 LEU 11 3HD1 LEU 11 -7.370 -8.572 -15.563 50 HD21 LEU 11 1HD2 LEU 11 -9.026 -7.956 -16.510 51 HD22 LEU 11 2HD2 LEU 11 -8.484 -7.702 -18.169 52 HD23 LEU 11 3HD2 LEU 11 -9.284 -6.396 -17.292 53 H GLU 12 H GLU 12 -6.773 -1.741 -17.034 54 HA GLU 12 HA GLU 12 -3.978 -2.318 -17.707 55 HB2 GLU 12 1HB GLU 12 -5.591 -0.654 -18.980 56 HB3 GLU 12 2HB GLU 12 -5.095 0.452 -17.706 57 HG2 GLU 12 1HG GLU 12 -2.734 0.025 -18.322 58 HG3 GLU 12 2HG GLU 12 -3.305 -0.956 -19.671 59 H VAL 13 H VAL 13 -2.276 -1.112 -16.659 60 HA VAL 13 HA VAL 13 -2.894 0.193 -14.141 61 HB VAL 13 HB VAL 13 -1.226 -2.324 -14.234 62 HG11 VAL 13 1HG1 VAL 13 -0.082 -0.964 -12.733 63 HG12 VAL 13 2HG1 VAL 13 -1.563 -0.215 -12.132 64 HG13 VAL 13 3HG1 VAL 13 -1.175 -1.880 -11.695 65 HG21 VAL 13 1HG2 VAL 13 -3.687 -2.645 -14.189 66 HG22 VAL 13 2HG2 VAL 13 -2.875 -3.263 -12.751 67 HG23 VAL 13 3HG2 VAL 13 -3.744 -1.729 -12.683 68 H LYS 14 H LYS 14 -1.807 2.031 -14.443 69 HA LYS 14 HA LYS 14 0.554 2.256 -15.997 70 HB2 LYS 14 1HB LYS 14 -0.954 4.086 -14.167 71 HB3 LYS 14 2HB LYS 14 0.645 4.551 -14.733 72 HG2 LYS 14 1HG LYS 14 -1.342 3.649 -16.747 73 HG3 LYS 14 2HG LYS 14 -1.546 5.246 -16.023 74 HD2 LYS 14 1HD LYS 14 -0.216 5.786 -17.805 75 HD3 LYS 14 2HD LYS 14 1.023 5.452 -16.593 76 HE2 LYS 14 1HE LYS 14 1.482 3.330 -17.497 77 HE3 LYS 14 2HE LYS 14 -0.002 3.324 -18.449 78 HZ1 LYS 14 1HZ LYS 14 2.080 3.763 -19.727 79 HZ2 LYS 14 2HZ LYS 14 2.216 5.237 -18.909 80 HZ3 LYS 14 3HZ LYS 14 0.883 4.945 -19.908 81 H GLU 15 H GLU 15 2.381 3.713 -14.741 82 HA GLU 15 HA GLU 15 3.079 2.696 -12.155 83 HB2 GLU 15 1HB GLU 15 4.853 1.290 -12.669 84 HB3 GLU 15 2HB GLU 15 3.671 0.865 -13.899 85 HG2 GLU 15 1HG GLU 15 4.874 2.550 -15.389 86 HG3 GLU 15 2HG GLU 15 6.165 2.499 -14.190 87 H GLU 16 H GLU 16 4.631 3.927 -11.161 88 HA GLU 16 HA GLU 16 6.009 5.950 -12.783 89 HB2 GLU 16 1HB GLU 16 4.188 6.394 -10.453 90 HB3 GLU 16 2HB GLU 16 5.554 7.475 -10.686 91 HG2 GLU 16 1HG GLU 16 3.625 6.913 -12.904 92 HG3 GLU 16 2HG GLU 16 3.288 8.135 -11.679 93 H ASN 17 H ASN 17 8.083 5.407 -12.544 94 HA ASN 17 HA ASN 17 10.094 4.928 -11.594 95 HB2 ASN 17 1HB ASN 17 8.876 6.098 -9.083 96 HB3 ASN 17 2HB ASN 17 10.592 5.936 -9.444 97 HD21 ASN 17 1HD2 ASN 17 8.909 8.293 -8.850 98 HD22 ASN 17 2HD2 ASN 17 9.168 9.380 -10.167 99 H GLY 18 H GLY 18 8.159 2.854 -11.636 100 HA2 GLY 18 1HA GLY 18 8.364 0.624 -10.928 101 HA3 GLY 18 2HA GLY 18 9.272 1.175 -9.528 102 H VAL 19 H VAL 19 6.764 3.201 -9.560 103 HA VAL 19 HA VAL 19 5.295 1.600 -7.609 104 HB VAL 19 HB VAL 19 4.918 4.518 -8.291 105 HG11 VAL 19 1HG1 VAL 19 4.255 3.667 -5.604 106 HG12 VAL 19 2HG1 VAL 19 3.279 4.548 -6.782 107 HG13 VAL 19 3HG1 VAL 19 3.329 2.785 -6.818 108 HG21 VAL 19 1HG2 VAL 19 7.187 3.474 -7.223 109 HG22 VAL 19 2HG2 VAL 19 6.595 5.106 -6.913 110 HG23 VAL 19 3HG2 VAL 19 6.244 3.809 -5.770 111 H TRP 20 H TRP 20 3.780 0.336 -8.492 112 HA TRP 20 HA TRP 20 2.425 0.931 -10.916 113 HB2 TRP 20 1HB TRP 20 1.750 -1.078 -8.755 114 HB3 TRP 20 2HB TRP 20 1.032 -1.035 -10.363 115 HD1 TRP 20 HD TRP 20 3.859 -2.522 -8.491 116 HE1 TRP 20 1HE TRP 20 5.479 -3.707 -10.102 117 HE3 TRP 20 3HE TRP 20 2.092 -0.679 -12.920 118 HZ2 TRP 20 2HZ TRP 20 5.946 -3.843 -12.883 119 HZ3 TRP 20 3HZ TRP 20 3.181 -1.386 -15.010 120 HH2 TRP 20 HH TRP 20 5.068 -2.935 -14.989 121 H VAL 21 H VAL 21 0.323 1.611 -11.279 122 HA VAL 21 HA VAL 21 -0.901 3.059 -9.037 123 HB VAL 21 HB VAL 21 -1.379 3.364 -12.005 124 HG11 VAL 21 1HG1 VAL 21 -3.298 3.890 -10.420 125 HG12 VAL 21 2HG1 VAL 21 -2.299 5.218 -9.826 126 HG13 VAL 21 3HG1 VAL 21 -2.797 5.176 -11.517 127 HG21 VAL 21 1HG2 VAL 21 0.833 4.131 -11.372 128 HG22 VAL 21 2HG2 VAL 21 -0.202 5.511 -11.737 129 HG23 VAL 21 3HG2 VAL 21 0.150 5.092 -10.061 130 H LEU 22 H LEU 22 -2.183 1.584 -8.022 131 HA LEU 22 HA LEU 22 -3.977 -0.093 -9.587 132 HB2 LEU 22 1HB LEU 22 -3.366 0.074 -6.646 133 HB3 LEU 22 2HB LEU 22 -4.621 -0.969 -7.309 134 HG LEU 22 HG LEU 22 -1.642 -1.181 -7.657 135 HD11 LEU 22 1HD1 LEU 22 -3.741 -3.112 -6.680 136 HD12 LEU 22 2HD1 LEU 22 -2.611 -2.212 -5.669 137 HD13 LEU 22 3HD1 LEU 22 -2.010 -3.430 -6.793 138 HD21 LEU 22 1HD2 LEU 22 -3.827 -2.505 -9.252 139 HD22 LEU 22 2HD2 LEU 22 -2.172 -3.109 -9.171 140 HD23 LEU 22 3HD2 LEU 22 -2.497 -1.514 -9.853 141 H ASN 23 H ASN 23 -6.275 -0.227 -8.991 142 HA ASN 23 HA ASN 23 -7.467 2.018 -7.634 143 HB2 ASN 23 1HB ASN 23 -8.913 2.359 -9.853 144 HB3 ASN 23 2HB ASN 23 -7.432 3.265 -9.553 145 HD21 ASN 23 1HD2 ASN 23 -8.894 0.666 -11.342 146 HD22 ASN 23 2HD2 ASN 23 -7.643 0.509 -12.524 147 H ASP 24 H ASP 24 -9.908 1.868 -7.731 148 HA ASP 24 HA ASP 24 -10.756 -0.637 -6.866 149 HB2 ASP 24 1HB ASP 24 -13.033 0.257 -7.002 150 HB3 ASP 24 2HB ASP 24 -11.932 1.451 -6.321 151 H GLY 25 H GLY 25 -10.146 0.412 -10.017 152 HA2 GLY 25 1HA GLY 25 -12.025 -1.462 -11.244 153 HA3 GLY 25 2HA GLY 25 -11.012 -0.303 -12.092 154 H ASN 26 H ASN 26 -8.668 -1.224 -10.426 155 HA ASN 26 HA ASN 26 -8.219 -3.830 -11.717 156 HB2 ASN 26 1HB ASN 26 -6.010 -3.188 -12.390 157 HB3 ASN 26 2HB ASN 26 -7.112 -1.937 -12.955 158 HD21 ASN 26 1HD2 ASN 26 -5.656 -0.296 -13.026 159 HD22 ASN 26 2HD2 ASN 26 -4.896 0.372 -11.625 160 H PHE 27 H PHE 27 -8.778 -2.684 -8.898 161 HA PHE 27 HA PHE 27 -6.477 -3.208 -7.331 162 HB2 PHE 27 1HB PHE 27 -8.417 -1.840 -6.572 163 HB3 PHE 27 2HB PHE 27 -9.376 -3.313 -6.474 164 HD1 PHE 27 1HD PHE 27 -6.625 -1.409 -4.987 165 HD2 PHE 27 2HD PHE 27 -9.056 -4.890 -4.691 166 HE1 PHE 27 1HE PHE 27 -5.827 -1.767 -2.687 167 HE2 PHE 27 2HE PHE 27 -8.262 -5.253 -2.391 168 HZ PHE 27 HZ PHE 27 -6.646 -3.690 -1.385 169 H ASP 28 H ASP 28 -9.492 -5.100 -7.593 170 HA ASP 28 HA ASP 28 -8.403 -7.400 -6.357 171 HB2 ASP 28 1HB ASP 28 -10.469 -8.485 -7.584 172 HB3 ASP 28 2HB ASP 28 -10.706 -7.383 -6.230 173 H ASN 29 H ASN 29 -9.003 -6.579 -9.761 174 HA ASN 29 HA ASN 29 -8.272 -8.933 -10.976 175 HB2 ASN 29 1HB ASN 29 -8.047 -6.061 -11.797 176 HB3 ASN 29 2HB ASN 29 -7.348 -7.310 -12.824 177 HD21 ASN 29 1HD2 ASN 29 -8.954 -9.262 -13.041 178 HD22 ASN 29 2HD2 ASN 29 -10.554 -8.810 -13.512 179 H PHE 30 H PHE 30 -6.142 -6.276 -9.971 180 HA PHE 30 HA PHE 30 -3.740 -7.386 -10.904 181 HB2 PHE 30 1HB PHE 30 -4.170 -5.003 -10.088 182 HB3 PHE 30 2HB PHE 30 -3.965 -5.637 -8.458 183 HD1 PHE 30 1HD PHE 30 -2.217 -5.716 -11.755 184 HD2 PHE 30 2HD PHE 30 -1.883 -5.474 -7.519 185 HE1 PHE 30 1HE PHE 30 0.221 -5.451 -11.966 186 HE2 PHE 30 2HE PHE 30 0.555 -5.208 -7.722 187 HZ PHE 30 HZ PHE 30 1.609 -5.195 -9.948 188 H VAL 31 H VAL 31 -4.870 -7.239 -7.522 189 HA VAL 31 HA VAL 31 -2.976 -9.091 -6.557 190 HB VAL 31 HB VAL 31 -4.235 -9.131 -4.509 191 HG11 VAL 31 1HG1 VAL 31 -3.897 -6.541 -5.922 192 HG12 VAL 31 2HG1 VAL 31 -4.752 -6.535 -4.378 193 HG13 VAL 31 3HG1 VAL 31 -3.102 -7.152 -4.472 194 HG21 VAL 31 1HG2 VAL 31 -6.458 -8.105 -4.326 195 HG22 VAL 31 2HG2 VAL 31 -6.470 -7.834 -6.068 196 HG23 VAL 31 3HG2 VAL 31 -6.460 -9.479 -5.432 197 H ALA 32 H ALA 32 -5.614 -9.590 -8.529 198 HA ALA 32 HA ALA 32 -6.808 -11.918 -7.606 199 HB1 ALA 32 1HB ALA 32 -7.458 -10.502 -9.608 200 HB2 ALA 32 2HB ALA 32 -6.242 -11.406 -10.513 201 HB3 ALA 32 3HB ALA 32 -7.614 -12.249 -9.793 202 H ASP 33 H ASP 33 -4.049 -11.641 -9.850 203 HA ASP 33 HA ASP 33 -3.488 -14.480 -9.528 204 HB2 ASP 33 1HB ASP 33 -3.389 -13.485 -11.781 205 HB3 ASP 33 2HB ASP 33 -2.110 -12.401 -11.241 206 H LYS 34 H LYS 34 -2.315 -11.396 -8.466 207 HA LYS 34 HA LYS 34 0.224 -12.415 -7.541 208 HB2 LYS 34 1HB LYS 34 -1.167 -9.757 -7.218 209 HB3 LYS 34 2HB LYS 34 0.390 -10.116 -6.484 210 HG2 LYS 34 1HG LYS 34 1.239 -10.635 -8.793 211 HG3 LYS 34 2HG LYS 34 -0.278 -9.976 -9.411 212 HD2 LYS 34 1HD LYS 34 1.021 -8.097 -9.491 213 HD3 LYS 34 2HD LYS 34 0.383 -7.945 -7.853 214 HE2 LYS 34 1HE LYS 34 2.745 -7.532 -7.795 215 HE3 LYS 34 2HE LYS 34 2.428 -9.081 -7.014 216 HZ1 LYS 34 1HZ LYS 34 4.151 -8.563 -9.133 217 HZ2 LYS 34 2HZ LYS 34 2.885 -9.494 -9.761 218 HZ3 LYS 34 3HZ LYS 34 3.781 -10.063 -8.444 219 H ASP 35 H ASP 35 0.794 -12.921 -5.471 220 HA ASP 35 HA ASP 35 -1.403 -13.411 -3.623 221 HB2 ASP 35 1HB ASP 35 1.476 -14.138 -3.133 222 HB3 ASP 35 2HB ASP 35 0.023 -14.909 -2.502 223 H THR 36 H THR 36 1.861 -11.983 -3.426 224 HA THR 36 HA THR 36 0.950 -10.400 -1.123 225 HB THR 36 HB THR 36 3.821 -10.665 -1.982 226 HG1 THR 36 1HG THR 36 3.985 -12.516 -0.780 227 HG21 THR 36 1HG2 THR 36 3.678 -10.591 0.763 228 HG22 THR 36 2HG2 THR 36 2.354 -9.533 0.275 229 HG23 THR 36 3HG2 THR 36 3.994 -9.209 -0.285 230 H VAL 37 H VAL 37 0.367 -8.383 -1.551 231 HA VAL 37 HA VAL 37 1.957 -6.815 -3.453 232 HB VAL 37 HB VAL 37 -1.057 -6.699 -3.421 233 HG11 VAL 37 1HG1 VAL 37 -0.807 -4.877 -4.661 234 HG12 VAL 37 2HG1 VAL 37 0.943 -4.993 -4.463 235 HG13 VAL 37 3HG1 VAL 37 0.154 -5.781 -5.830 236 HG21 VAL 37 1HG2 VAL 37 -0.169 -8.897 -4.238 237 HG22 VAL 37 2HG2 VAL 37 -1.100 -7.987 -5.428 238 HG23 VAL 37 3HG2 VAL 37 0.661 -8.013 -5.519 239 H LEU 38 H LEU 38 2.393 -4.796 -2.779 240 HA LEU 38 HA LEU 38 1.357 -3.988 -0.178 241 HB2 LEU 38 1HB LEU 38 3.686 -3.803 -0.295 242 HB3 LEU 38 2HB LEU 38 3.635 -3.082 -1.903 243 HG LEU 38 HG LEU 38 2.443 -1.112 -0.647 244 HD11 LEU 38 1HD1 LEU 38 4.196 -1.685 1.617 245 HD12 LEU 38 2HD1 LEU 38 2.810 -2.768 1.495 246 HD13 LEU 38 3HD1 LEU 38 2.561 -1.025 1.583 247 HD21 LEU 38 1HD2 LEU 38 4.522 -0.852 -1.815 248 HD22 LEU 38 2HD2 LEU 38 5.400 -1.687 -0.533 249 HD23 LEU 38 3HD2 LEU 38 4.677 -0.108 -0.223 250 H LEU 39 H LEU 39 0.408 -1.963 0.220 251 HA LEU 39 HA LEU 39 -0.467 -0.440 -2.129 252 HB2 LEU 39 1HB LEU 39 -2.382 -0.946 0.106 253 HB3 LEU 39 2HB LEU 39 -2.710 -0.468 -1.558 254 HG LEU 39 HG LEU 39 -1.642 -3.196 -0.900 255 HD11 LEU 39 1HD1 LEU 39 -3.649 -4.010 -0.289 256 HD12 LEU 39 2HD1 LEU 39 -4.538 -2.911 -1.343 257 HD13 LEU 39 3HD1 LEU 39 -3.944 -2.347 0.219 258 HD21 LEU 39 1HD2 LEU 39 -3.061 -1.922 -3.220 259 HD22 LEU 39 2HD2 LEU 39 -2.992 -3.673 -3.015 260 HD23 LEU 39 3HD2 LEU 39 -1.502 -2.745 -3.196 261 H GLU 40 H GLU 40 -0.380 1.714 -1.873 262 HA GLU 40 HA GLU 40 -0.063 2.771 0.857 263 HB2 GLU 40 1HB GLU 40 2.125 2.739 -0.195 264 HB3 GLU 40 2HB GLU 40 1.491 3.567 -1.610 265 HG2 GLU 40 1HG GLU 40 0.830 5.389 0.169 266 HG3 GLU 40 2HG GLU 40 2.131 4.633 1.086 267 H PHE 41 H PHE 41 -1.638 4.138 1.328 268 HA PHE 41 HA PHE 41 -3.190 5.368 -0.798 269 HB2 PHE 41 1HB PHE 41 -3.576 5.478 2.201 270 HB3 PHE 41 2HB PHE 41 -4.720 6.049 0.991 271 HD1 PHE 41 2HD PHE 41 -3.263 3.117 2.611 272 HD2 PHE 41 1HD PHE 41 -6.039 4.496 -0.307 273 HE1 PHE 41 2HE PHE 41 -4.291 0.883 2.539 274 HE2 PHE 41 1HE PHE 41 -7.072 2.264 -0.383 275 HZ PHE 41 HZ PHE 41 -6.198 0.454 1.040 276 H TYR 42 H TYR 42 -3.182 7.480 -1.327 277 HA TYR 42 HA TYR 42 -1.778 9.383 0.396 278 HB2 TYR 42 1HB TYR 42 -0.315 10.154 -1.268 279 HB3 TYR 42 2HB TYR 42 -0.247 8.402 -1.430 280 HD1 TYR 42 2HD TYR 42 -1.635 11.491 -2.910 281 HD2 TYR 42 1HD TYR 42 -0.942 7.326 -3.431 282 HE1 TYR 42 2HE TYR 42 -2.240 11.694 -5.285 283 HE2 TYR 42 1HE TYR 42 -1.544 7.517 -5.808 284 HH TYR 42 HH TYR 42 -1.506 10.040 -7.517 285 H ALA 43 H ALA 43 -1.963 11.668 -0.719 286 HA ALA 43 HA ALA 43 -4.579 11.972 -2.005 287 HB1 ALA 43 1HB ALA 43 -5.349 13.600 -0.466 288 HB2 ALA 43 2HB ALA 43 -4.799 12.224 0.491 289 HB3 ALA 43 3HB ALA 43 -3.789 13.663 0.355 290 HA PRO 44 HA PRO 44 -2.364 14.838 -4.515 291 HB2 PRO 44 1HB PRO 44 -4.475 16.192 -5.553 292 HB3 PRO 44 2HB PRO 44 -4.046 14.553 -6.054 293 HG2 PRO 44 1HG PRO 44 -6.146 15.454 -4.119 294 HG3 PRO 44 2HG PRO 44 -6.244 14.208 -5.377 295 HD2 PRO 44 1HD PRO 44 -5.861 13.613 -2.763 296 HD3 PRO 44 2HD PRO 44 -5.177 12.633 -4.076 297 H TRP 45 H TRP 45 -4.595 15.862 -2.048 298 HA TRP 45 HA TRP 45 -3.751 18.640 -2.217 299 HB2 TRP 45 1HB TRP 45 -5.312 18.857 -0.198 300 HB3 TRP 45 2HB TRP 45 -6.049 18.427 -1.739 301 HD1 TRP 45 HD TRP 45 -7.414 16.224 -1.827 302 HE1 TRP 45 1HE TRP 45 -7.935 14.354 -0.137 303 HE3 TRP 45 3HE TRP 45 -4.156 17.551 1.883 304 HZ2 TRP 45 2HZ TRP 45 -7.078 13.548 2.429 305 HZ3 TRP 45 3HZ TRP 45 -4.069 16.179 3.923 306 HH2 TRP 45 HH TRP 45 -5.501 14.219 4.189 307 H CYS 46 H CYS 46 -3.161 15.790 -0.305 308 HA CYS 46 HA CYS 46 -1.870 17.161 1.856 309 HB2 CYS 46 1HB CYS 46 -2.985 14.840 1.904 310 HB3 CYS 46 2HB CYS 46 -1.494 14.252 1.178 311 HG CYS 46 HG CYS 46 -1.824 13.944 4.107 312 H GLY 47 H GLY 47 -0.277 18.457 0.915 313 HA2 GLY 47 1HA GLY 47 1.613 17.703 -0.972 314 HA3 GLY 47 2HA GLY 47 1.867 18.940 0.251 315 H HIS 48 H HIS 48 1.394 16.792 2.351 316 HA HIS 48 HA HIS 48 3.980 16.289 3.095 317 HB2 HIS 48 1HB HIS 48 1.654 15.787 4.263 318 HB3 HIS 48 2HB HIS 48 1.957 14.164 3.652 319 HD1 HIS 48 1HD HIS 48 2.760 12.842 5.580 320 HD2 HIS 48 2HD HIS 48 4.485 16.620 5.470 321 HE1 HIS 48 1HE HIS 48 4.421 12.878 7.468 322 HE2 HIS 48 2HE HIS 48 5.391 15.202 7.435 323 H CYS 49 H CYS 49 1.887 14.196 1.133 324 HA CYS 49 HA CYS 49 3.628 12.043 0.841 325 HB2 CYS 49 1HB CYS 49 2.334 11.486 -1.177 326 HB3 CYS 49 2HB CYS 49 1.283 11.944 0.157 327 HG CYS 49 HG CYS 49 1.974 14.623 -1.606 328 H LYS 50 H LYS 50 3.591 15.155 -0.721 329 HA LYS 50 HA LYS 50 5.033 14.763 -3.011 330 HB2 LYS 50 1HB LYS 50 5.443 17.032 -1.055 331 HB3 LYS 50 2HB LYS 50 5.858 17.050 -2.764 332 HG2 LYS 50 1HG LYS 50 3.044 16.573 -1.859 333 HG3 LYS 50 2HG LYS 50 3.697 18.205 -2.018 334 HD2 LYS 50 1HD LYS 50 4.414 17.412 -4.384 335 HD3 LYS 50 2HD LYS 50 3.215 16.141 -4.134 336 HE2 LYS 50 1HE LYS 50 1.700 18.183 -3.438 337 HE3 LYS 50 2HE LYS 50 2.843 19.081 -4.436 338 HZ1 LYS 50 1HZ LYS 50 0.946 18.349 -5.727 339 HZ2 LYS 50 2HZ LYS 50 1.245 16.737 -5.313 340 HZ3 LYS 50 3HZ LYS 50 2.353 17.582 -6.272 341 H GLN 51 H GLN 51 6.353 15.192 0.262 342 HA GLN 51 HA GLN 51 9.063 14.859 -0.569 343 HB2 GLN 51 1HB GLN 51 7.635 15.099 2.032 344 HB3 GLN 51 2HB GLN 51 9.248 14.399 2.047 345 HG2 GLN 51 1HG GLN 51 10.081 16.417 0.878 346 HG3 GLN 51 2HG GLN 51 8.471 17.120 1.027 347 HE21 GLN 51 1HE2 GLN 51 10.978 18.090 2.096 348 HE22 GLN 51 2HE2 GLN 51 10.782 18.175 3.810 349 H PHE 52 H PHE 52 6.500 12.716 0.276 350 HA PHE 52 HA PHE 52 8.334 10.470 0.654 351 HB2 PHE 52 1HB PHE 52 6.296 10.905 2.152 352 HB3 PHE 52 2HB PHE 52 5.326 10.346 0.793 353 HD1 PHE 52 1HD PHE 52 8.478 9.199 2.437 354 HD2 PHE 52 2HD PHE 52 4.568 8.208 1.078 355 HE1 PHE 52 1HE PHE 52 8.821 6.871 3.157 356 HE2 PHE 52 2HE PHE 52 4.904 5.880 1.797 357 HZ PHE 52 HZ PHE 52 7.032 5.208 2.838 358 H ALA 53 H ALA 53 6.988 12.017 -1.880 359 HA ALA 53 HA ALA 53 5.890 9.935 -3.442 360 HB1 ALA 53 1HB ALA 53 6.456 12.718 -3.755 361 HB2 ALA 53 2HB ALA 53 7.030 11.842 -5.175 362 HB3 ALA 53 3HB ALA 53 5.346 11.698 -4.672 363 HA PRO 54 HA PRO 54 10.192 9.621 -5.594 364 HB2 PRO 54 1HB PRO 54 12.247 11.043 -4.533 365 HB3 PRO 54 2HB PRO 54 11.163 11.696 -5.768 366 HG2 PRO 54 1HG PRO 54 11.124 12.107 -2.803 367 HG3 PRO 54 2HG PRO 54 10.888 13.293 -4.100 368 HD2 PRO 54 1HD PRO 54 8.823 12.208 -2.724 369 HD3 PRO 54 2HD PRO 54 8.690 12.681 -4.430 370 H GLU 55 H GLU 55 9.604 9.507 -2.265 371 HA GLU 55 HA GLU 55 11.947 7.897 -1.641 372 HB2 GLU 55 1HB GLU 55 11.163 9.534 0.009 373 HB3 GLU 55 2HB GLU 55 9.606 8.722 0.085 374 HG2 GLU 55 1HG GLU 55 10.591 7.828 1.921 375 HG3 GLU 55 2HG GLU 55 11.100 6.648 0.714 376 H TYR 56 H TYR 56 8.444 7.540 -1.935 377 HA TYR 56 HA TYR 56 8.310 4.841 -1.119 378 HB2 TYR 56 1HB TYR 56 6.378 6.464 -1.314 379 HB3 TYR 56 2HB TYR 56 6.433 6.202 -3.054 380 HD1 TYR 56 1HD TYR 56 6.785 3.798 -0.221 381 HD2 TYR 56 2HD TYR 56 4.523 5.012 -3.613 382 HE1 TYR 56 1HE TYR 56 5.348 1.819 0.037 383 HE2 TYR 56 2HE TYR 56 3.079 3.037 -3.364 384 HH TYR 56 HH TYR 56 2.467 1.375 -1.910 385 H GLU 57 H GLU 57 9.033 6.371 -4.176 386 HA GLU 57 HA GLU 57 8.704 4.090 -5.822 387 HB2 GLU 57 1HB GLU 57 10.018 5.345 -7.478 388 HB3 GLU 57 2HB GLU 57 8.756 6.336 -6.760 389 HG2 GLU 57 1HG GLU 57 10.267 7.603 -5.537 390 HG3 GLU 57 2HG GLU 57 11.542 6.393 -5.678 391 H LYS 58 H LYS 58 11.383 5.342 -3.931 392 HA LYS 58 HA LYS 58 13.453 3.788 -4.987 393 HB2 LYS 58 1HB LYS 58 13.037 4.855 -2.191 394 HB3 LYS 58 2HB LYS 58 14.534 4.116 -2.743 395 HG2 LYS 58 1HG LYS 58 14.435 5.904 -4.615 396 HG3 LYS 58 2HG LYS 58 13.314 6.726 -3.527 397 HD2 LYS 58 1HD LYS 58 15.899 5.732 -2.429 398 HD3 LYS 58 2HD LYS 58 15.910 7.188 -3.428 399 HE2 LYS 58 1HE LYS 58 15.612 8.086 -1.332 400 HE3 LYS 58 2HE LYS 58 13.942 7.915 -1.869 401 HZ1 LYS 58 1HZ LYS 58 14.910 5.560 -0.571 402 HZ2 LYS 58 2HZ LYS 58 13.522 6.472 -0.250 403 HZ3 LYS 58 3HZ LYS 58 15.002 6.916 0.437 404 H ILE 59 H ILE 59 11.063 3.064 -2.496 405 HA ILE 59 HA ILE 59 12.177 0.613 -1.647 406 HB ILE 59 HB ILE 59 9.320 1.583 -1.553 407 HG12 ILE 59 1HG1 ILE 59 11.142 1.342 0.808 408 HG13 ILE 59 2HG1 ILE 59 11.321 2.722 -0.269 409 HG21 ILE 59 1HG2 ILE 59 9.484 -0.222 0.439 410 HG22 ILE 59 2HG2 ILE 59 8.887 -0.598 -1.177 411 HG23 ILE 59 3HG2 ILE 59 10.557 -0.966 -0.746 412 HD11 ILE 59 1HD1 ILE 59 9.517 3.723 0.557 413 HD12 ILE 59 2HD1 ILE 59 8.563 2.240 0.510 414 HD13 ILE 59 3HD1 ILE 59 9.630 2.560 1.877 415 H ALA 60 H ALA 60 9.871 1.442 -4.184 416 HA ALA 60 HA ALA 60 8.892 -1.025 -4.889 417 HB1 ALA 60 1HB ALA 60 7.998 0.101 -6.587 418 HB2 ALA 60 2HB ALA 60 8.873 1.517 -6.002 419 HB3 ALA 60 3HB ALA 60 9.584 0.495 -7.251 420 H SER 61 H SER 61 11.737 0.505 -6.414 421 HA SER 61 HA SER 61 12.576 -1.656 -7.915 422 HB2 SER 61 1HB SER 61 14.672 0.037 -6.634 423 HB3 SER 61 2HB SER 61 14.503 -0.462 -8.317 424 HG SER 61 HG SER 61 12.531 0.992 -8.189 425 H THR 62 H THR 62 13.571 -0.788 -4.612 426 HA THR 62 HA THR 62 15.389 -2.802 -4.126 427 HB THR 62 HB THR 62 13.396 -1.632 -2.175 428 HG1 THR 62 1HG THR 62 14.704 -0.015 -2.960 429 HG21 THR 62 1HG2 THR 62 14.193 -3.095 -0.693 430 HG22 THR 62 2HG2 THR 62 15.777 -2.340 -0.871 431 HG23 THR 62 3HG2 THR 62 15.344 -3.728 -1.868 432 H LEU 63 H LEU 63 11.999 -2.923 -3.016 433 HA LEU 63 HA LEU 63 11.994 -5.642 -2.390 434 HB2 LEU 63 1HB LEU 63 9.684 -3.913 -3.264 435 HB3 LEU 63 2HB LEU 63 9.545 -5.478 -2.465 436 HG LEU 63 HG LEU 63 10.898 -3.113 -1.185 437 HD11 LEU 63 1HD1 LEU 63 8.539 -2.590 -1.770 438 HD12 LEU 63 2HD1 LEU 63 8.856 -2.620 -0.036 439 HD13 LEU 63 3HD1 LEU 63 8.037 -3.979 -0.806 440 HD21 LEU 63 1HD2 LEU 63 9.626 -5.535 0.070 441 HD22 LEU 63 2HD2 LEU 63 10.672 -4.338 0.833 442 HD23 LEU 63 3HD2 LEU 63 11.334 -5.455 -0.363 443 H LYS 64 H LYS 64 11.810 -4.053 -5.434 444 HA LYS 64 HA LYS 64 10.411 -5.857 -7.002 445 HB2 LYS 64 1HB LYS 64 11.540 -3.577 -7.590 446 HB3 LYS 64 2HB LYS 64 12.922 -4.574 -8.025 447 HG2 LYS 64 1HG LYS 64 11.658 -5.725 -9.691 448 HG3 LYS 64 2HG LYS 64 10.162 -4.953 -9.161 449 HD2 LYS 64 1HD LYS 64 12.454 -3.251 -10.033 450 HD3 LYS 64 2HD LYS 64 11.460 -4.051 -11.253 451 HE2 LYS 64 1HE LYS 64 9.454 -3.041 -10.107 452 HE3 LYS 64 2HE LYS 64 10.582 -2.081 -9.152 453 HZ1 LYS 64 1HZ LYS 64 10.292 -2.039 -12.106 454 HZ2 LYS 64 2HZ LYS 64 11.471 -1.185 -11.245 455 HZ3 LYS 64 3HZ LYS 64 9.834 -0.815 -11.032 456 H ASP 65 H ASP 65 13.872 -5.866 -6.189 457 HA ASP 65 HA ASP 65 14.307 -8.377 -7.539 458 HB2 ASP 65 1HB ASP 65 16.041 -6.566 -7.366 459 HB3 ASP 65 2HB ASP 65 16.167 -6.929 -5.646 460 H ASN 66 H ASN 66 13.342 -7.363 -4.413 461 HA ASN 66 HA ASN 66 14.313 -9.341 -2.747 462 HB2 ASN 66 1HB ASN 66 12.987 -7.369 -2.011 463 HB3 ASN 66 2HB ASN 66 11.537 -8.140 -2.649 464 HD21 ASN 66 1HD2 ASN 66 10.897 -10.179 -1.706 465 HD22 ASN 66 2HD2 ASN 66 11.261 -10.497 -0.047 466 H ASP 67 H ASP 67 13.451 -11.324 -1.996 467 HA ASP 67 HA ASP 67 11.689 -12.667 -3.941 468 HB2 ASP 67 1HB ASP 67 12.855 -14.764 -3.370 469 HB3 ASP 67 2HB ASP 67 13.957 -13.560 -4.032 470 HA PRO 68 HA PRO 68 10.199 -13.947 -4.277 471 HB2 PRO 68 1HB PRO 68 7.530 -13.452 -4.266 472 HB3 PRO 68 2HB PRO 68 8.221 -15.003 -3.775 473 HG2 PRO 68 1HG PRO 68 7.284 -12.723 -2.075 474 HG3 PRO 68 2HG PRO 68 7.028 -14.464 -1.853 475 HD2 PRO 68 1HD PRO 68 8.911 -13.082 -0.483 476 HD3 PRO 68 2HD PRO 68 9.121 -14.784 -0.944 477 HA PRO 69 HA PRO 69 10.102 -9.875 -5.934 478 HB2 PRO 69 1HB PRO 69 8.624 -10.166 -8.192 479 HB3 PRO 69 2HB PRO 69 10.262 -10.809 -8.027 480 HG2 PRO 69 1HG PRO 69 7.637 -12.219 -7.742 481 HG3 PRO 69 2HG PRO 69 9.114 -12.759 -8.562 482 HD2 PRO 69 1HD PRO 69 8.427 -13.613 -6.086 483 HD3 PRO 69 2HD PRO 69 10.117 -13.416 -6.593 484 H ILE 70 H ILE 70 9.016 -8.413 -4.732 485 HA ILE 70 HA ILE 70 6.095 -8.480 -4.658 486 HB ILE 70 HB ILE 70 8.013 -6.699 -3.149 487 HG12 ILE 70 1HG1 ILE 70 6.386 -8.888 -1.911 488 HG13 ILE 70 2HG1 ILE 70 7.896 -9.290 -2.720 489 HG21 ILE 70 1HG2 ILE 70 5.881 -6.460 -1.693 490 HG22 ILE 70 2HG2 ILE 70 6.026 -5.515 -3.174 491 HG23 ILE 70 3HG2 ILE 70 5.036 -6.974 -3.154 492 HD11 ILE 70 1HD1 ILE 70 8.414 -7.097 -1.023 493 HD12 ILE 70 2HD1 ILE 70 7.489 -8.282 -0.100 494 HD13 ILE 70 3HD1 ILE 70 8.995 -8.756 -0.884 495 H ALA 71 H ALA 71 4.869 -6.505 -4.995 496 HA ALA 71 HA ALA 71 6.172 -4.617 -6.842 497 HB1 ALA 71 1HB ALA 71 4.522 -6.451 -7.794 498 HB2 ALA 71 2HB ALA 71 3.309 -5.283 -7.268 499 HB3 ALA 71 3HB ALA 71 4.547 -4.806 -8.430 500 H VAL 72 H VAL 72 6.144 -2.655 -5.980 501 HA VAL 72 HA VAL 72 4.214 -1.955 -3.936 502 HB VAL 72 HB VAL 72 6.499 -0.373 -5.121 503 HG11 VAL 72 1HG1 VAL 72 4.306 0.400 -3.364 504 HG12 VAL 72 2HG1 VAL 72 5.898 0.742 -2.683 505 HG13 VAL 72 3HG1 VAL 72 5.450 1.402 -4.256 506 HG21 VAL 72 1HG2 VAL 72 7.727 -0.923 -3.176 507 HG22 VAL 72 2HG2 VAL 72 6.305 -1.594 -2.377 508 HG23 VAL 72 3HG2 VAL 72 7.024 -2.435 -3.750 509 H ALA 73 H ALA 73 2.397 -0.852 -4.258 510 HA ALA 73 HA ALA 73 2.127 0.743 -6.718 511 HB1 ALA 73 1HB ALA 73 -0.069 -0.057 -7.106 512 HB2 ALA 73 2HB ALA 73 0.942 -1.478 -6.839 513 HB3 ALA 73 3HB ALA 73 -0.114 -0.893 -5.553 514 H LYS 74 H LYS 74 0.276 2.308 -6.581 515 HA LYS 74 HA LYS 74 -0.140 3.256 -3.826 516 HB2 LYS 74 1HB LYS 74 0.323 5.490 -4.410 517 HB3 LYS 74 2HB LYS 74 1.615 4.556 -5.153 518 HG2 LYS 74 1HG LYS 74 0.696 4.793 -7.303 519 HG3 LYS 74 2HG LYS 74 -0.851 5.354 -6.665 520 HD2 LYS 74 1HD LYS 74 0.059 7.354 -7.301 521 HD3 LYS 74 2HD LYS 74 0.660 7.265 -5.644 522 HE2 LYS 74 1HE LYS 74 2.304 6.054 -7.806 523 HE3 LYS 74 2HE LYS 74 2.256 7.812 -7.685 524 HZ1 LYS 74 1HZ LYS 74 3.960 6.290 -6.327 525 HZ2 LYS 74 2HZ LYS 74 2.706 6.385 -5.197 526 HZ3 LYS 74 3HZ LYS 74 3.427 7.799 -5.781 527 H ILE 75 H ILE 75 -2.095 4.327 -3.421 528 HA ILE 75 HA ILE 75 -4.061 4.370 -5.595 529 HB ILE 75 HB ILE 75 -4.618 3.157 -2.886 530 HG12 ILE 75 1HG1 ILE 75 -4.659 1.699 -5.517 531 HG13 ILE 75 2HG1 ILE 75 -3.175 1.841 -4.581 532 HG21 ILE 75 1HG2 ILE 75 -6.488 4.394 -4.032 533 HG22 ILE 75 2HG2 ILE 75 -6.389 3.192 -5.318 534 HG23 ILE 75 3HG2 ILE 75 -6.806 2.696 -3.678 535 HD11 ILE 75 1HD1 ILE 75 -5.693 0.752 -3.380 536 HD12 ILE 75 2HD1 ILE 75 -4.569 -0.264 -4.284 537 HD13 ILE 75 3HD1 ILE 75 -4.030 0.566 -2.824 538 H ASP 76 H ASP 76 -5.317 6.133 -5.588 539 HA ASP 76 HA ASP 76 -4.921 8.090 -3.476 540 HB2 ASP 76 1HB ASP 76 -4.845 8.675 -5.933 541 HB3 ASP 76 2HB ASP 76 -6.582 8.384 -5.983 542 H ALA 77 H ALA 77 -6.099 7.526 -1.712 543 HA ALA 77 HA ALA 77 -8.515 6.264 -1.533 544 HB1 ALA 77 1HB ALA 77 -7.408 6.637 0.482 545 HB2 ALA 77 2HB ALA 77 -7.266 8.371 0.193 546 HB3 ALA 77 3HB ALA 77 -8.833 7.670 0.593 547 H THR 78 H THR 78 -7.946 9.711 -2.084 548 HA THR 78 HA THR 78 -10.558 10.641 -1.872 549 HB THR 78 HB THR 78 -9.858 12.477 -3.410 550 HG1 THR 78 1HG THR 78 -8.416 11.140 -4.687 551 HG21 THR 78 1HG2 THR 78 -8.306 11.660 -1.007 552 HG22 THR 78 2HG2 THR 78 -9.335 13.070 -1.263 553 HG23 THR 78 3HG2 THR 78 -7.711 13.025 -1.950 554 H SER 79 H SER 79 -8.953 8.980 -4.506 555 HA SER 79 HA SER 79 -11.224 9.376 -6.285 556 HB2 SER 79 1HB SER 79 -8.898 9.503 -7.164 557 HB3 SER 79 2HB SER 79 -8.679 7.802 -6.752 558 HG SER 79 HG SER 79 -9.354 7.634 -8.772 559 H ALA 80 H ALA 80 -9.715 6.861 -4.364 560 HA ALA 80 HA ALA 80 -11.827 4.984 -5.195 561 HB1 ALA 80 1HB ALA 80 -10.259 3.423 -5.330 562 HB2 ALA 80 2HB ALA 80 -9.042 4.643 -4.952 563 HB3 ALA 80 3HB ALA 80 -9.786 3.707 -3.655 564 H SER 81 H SER 81 -13.474 5.505 -3.813 565 HA SER 81 HA SER 81 -13.029 5.929 -1.006 566 HB2 SER 81 1HB SER 81 -14.853 7.081 -2.189 567 HB3 SER 81 2HB SER 81 -15.614 5.528 -2.533 568 HG SER 81 HG SER 81 -16.498 5.650 -0.644 569 H MET 82 H MET 82 -14.801 3.444 -2.855 570 HA MET 82 HA MET 82 -15.566 1.721 -0.931 571 HB2 MET 82 1HB MET 82 -16.014 1.236 -3.240 572 HB3 MET 82 2HB MET 82 -14.301 1.049 -3.589 573 HG2 MET 82 1HG MET 82 -14.247 -0.924 -2.114 574 HG3 MET 82 2HG MET 82 -15.983 -0.753 -1.864 575 HE1 MET 82 1HE MET 82 -13.430 -0.938 -5.081 576 HE2 MET 82 2HE MET 82 -13.180 -2.109 -3.785 577 HE3 MET 82 3HE MET 82 -13.806 -2.641 -5.347 578 H LEU 83 H LEU 83 -12.406 1.347 -2.553 579 HA LEU 83 HA LEU 83 -11.331 -0.559 -0.881 580 HB2 LEU 83 1HB LEU 83 -9.882 1.716 -2.227 581 HB3 LEU 83 2HB LEU 83 -9.127 0.256 -1.591 582 HG LEU 83 HG LEU 83 -11.178 0.211 -3.796 583 HD11 LEU 83 1HD1 LEU 83 -9.062 -0.212 -5.212 584 HD12 LEU 83 2HD1 LEU 83 -8.215 0.617 -3.907 585 HD13 LEU 83 3HD1 LEU 83 -9.492 1.447 -4.797 586 HD21 LEU 83 1HD2 LEU 83 -10.649 -2.008 -4.057 587 HD22 LEU 83 2HD2 LEU 83 -10.492 -1.832 -2.309 588 HD23 LEU 83 3HD2 LEU 83 -9.053 -1.828 -3.329 589 H ALA 84 H ALA 84 -11.288 2.961 -0.501 590 HA ALA 84 HA ALA 84 -9.607 3.258 1.646 591 HB1 ALA 84 1HB ALA 84 -10.849 5.053 0.350 592 HB2 ALA 84 2HB ALA 84 -12.202 4.758 1.443 593 HB3 ALA 84 3HB ALA 84 -10.657 5.318 2.084 594 H SER 85 H SER 85 -13.096 2.554 1.771 595 HA SER 85 HA SER 85 -13.254 2.387 4.582 596 HB2 SER 85 1HB SER 85 -14.989 1.471 2.317 597 HB3 SER 85 2HB SER 85 -15.349 0.927 3.956 598 HG SER 85 HG SER 85 -16.378 2.948 3.216 599 H LYS 86 H LYS 86 -12.240 0.136 2.147 600 HA LYS 86 HA LYS 86 -12.574 -2.286 3.497 601 HB2 LYS 86 1HB LYS 86 -11.778 -1.764 1.061 602 HB3 LYS 86 2HB LYS 86 -10.171 -1.785 1.775 603 HG2 LYS 86 1HG LYS 86 -10.714 -4.073 2.666 604 HG3 LYS 86 2HG LYS 86 -12.168 -4.029 1.666 605 HD2 LYS 86 1HD LYS 86 -10.972 -4.116 -0.307 606 HD3 LYS 86 2HD LYS 86 -9.513 -3.447 0.427 607 HE2 LYS 86 1HE LYS 86 -10.601 -6.165 1.121 608 HE3 LYS 86 2HE LYS 86 -9.438 -5.902 -0.177 609 HZ1 LYS 86 1HZ LYS 86 -8.657 -4.668 2.289 610 HZ2 LYS 86 2HZ LYS 86 -7.780 -5.698 1.273 611 HZ3 LYS 86 3HZ LYS 86 -8.830 -6.345 2.432 612 H PHE 87 H PHE 87 -9.644 -0.258 3.314 613 HA PHE 87 HA PHE 87 -8.567 -1.678 5.636 614 HB2 PHE 87 1HB PHE 87 -7.196 0.352 3.863 615 HB3 PHE 87 2HB PHE 87 -6.432 -0.684 5.064 616 HD1 PHE 87 2HD PHE 87 -8.020 -0.579 1.757 617 HD2 PHE 87 1HD PHE 87 -5.939 -2.974 4.595 618 HE1 PHE 87 2HE PHE 87 -7.647 -2.293 0.032 619 HE2 PHE 87 1HE PHE 87 -5.562 -4.691 2.874 620 HZ PHE 87 HZ PHE 87 -6.417 -4.353 0.590 621 H ASP 88 H ASP 88 -10.757 0.250 5.855 622 HA ASP 88 HA ASP 88 -11.344 2.208 6.925 623 HB2 ASP 88 1HB ASP 88 -10.756 0.350 8.663 624 HB3 ASP 88 2HB ASP 88 -9.368 1.372 9.022 625 H VAL 89 H VAL 89 -9.452 2.844 5.040 626 HA VAL 89 HA VAL 89 -7.217 4.242 6.097 627 HB VAL 89 HB VAL 89 -8.585 4.555 3.421 628 HG11 VAL 89 1HG1 VAL 89 -6.632 5.691 2.665 629 HG12 VAL 89 2HG1 VAL 89 -7.160 6.487 4.149 630 HG13 VAL 89 3HG1 VAL 89 -5.789 5.378 4.182 631 HG21 VAL 89 1HG2 VAL 89 -6.531 2.687 4.482 632 HG22 VAL 89 2HG2 VAL 89 -7.825 2.402 3.317 633 HG23 VAL 89 3HG2 VAL 89 -6.362 3.252 2.820 634 H SER 90 H SER 90 -7.743 5.743 7.623 635 HA SER 90 HA SER 90 -9.485 7.955 6.747 636 HB2 SER 90 1HB SER 90 -10.378 6.560 8.655 637 HB3 SER 90 2HB SER 90 -9.009 7.120 9.615 638 HG SER 90 HG SER 90 -9.904 9.308 8.783 639 H GLY 91 H GLY 91 -6.781 7.916 6.099 640 HA2 GLY 91 1HA GLY 91 -5.917 10.424 6.924 641 HA3 GLY 91 2HA GLY 91 -5.153 9.259 7.995 642 H TYR 92 H TYR 92 -3.497 10.760 6.557 643 HA TYR 92 HA TYR 92 -2.117 8.834 4.956 644 HB2 TYR 92 1HB TYR 92 -2.744 11.323 3.429 645 HB3 TYR 92 2HB TYR 92 -2.316 9.723 2.833 646 HD1 TYR 92 2HD TYR 92 -5.052 11.801 4.161 647 HD2 TYR 92 1HD TYR 92 -3.996 8.066 2.418 648 HE1 TYR 92 2HE TYR 92 -7.431 11.322 3.759 649 HE2 TYR 92 1HE TYR 92 -6.372 7.577 2.010 650 HH TYR 92 HH TYR 92 -8.641 8.391 3.156 651 HA PRO 93 HA PRO 93 -0.478 9.102 3.267 652 HB2 PRO 93 1HB PRO 93 2.028 8.148 3.692 653 HB3 PRO 93 2HB PRO 93 1.703 9.611 2.754 654 HG2 PRO 93 1HG PRO 93 2.574 9.343 5.606 655 HG3 PRO 93 2HG PRO 93 3.144 10.472 4.363 656 HD2 PRO 93 1HD PRO 93 1.365 11.187 6.276 657 HD3 PRO 93 2HD PRO 93 1.345 11.886 4.644 658 H THR 94 H THR 94 -0.773 6.888 3.304 659 HA THR 94 HA THR 94 -0.412 5.503 5.867 660 HB THR 94 HB THR 94 -2.955 5.501 4.232 661 HG1 THR 94 1HG THR 94 -3.040 7.193 5.620 662 HG21 THR 94 1HG2 THR 94 -3.559 3.554 5.147 663 HG22 THR 94 2HG2 THR 94 -3.052 4.075 6.754 664 HG23 THR 94 3HG2 THR 94 -1.879 3.362 5.646 665 H ILE 95 H ILE 95 0.432 3.520 5.672 666 HA ILE 95 HA ILE 95 0.543 2.339 2.973 667 HB ILE 95 HB ILE 95 2.520 1.798 5.181 668 HG12 ILE 95 1HG1 ILE 95 3.019 3.660 2.868 669 HG13 ILE 95 2HG1 ILE 95 2.369 4.250 4.393 670 HG21 ILE 95 1HG2 ILE 95 3.925 1.018 3.320 671 HG22 ILE 95 2HG2 ILE 95 2.416 0.116 3.440 672 HG23 ILE 95 3HG2 ILE 95 2.605 1.355 2.199 673 HD11 ILE 95 1HD1 ILE 95 4.750 4.574 4.333 674 HD12 ILE 95 2HD1 ILE 95 4.352 3.354 5.544 675 HD13 ILE 95 3HD1 ILE 95 5.007 2.865 3.981 676 H LYS 96 H LYS 96 0.132 0.166 2.717 677 HA LYS 96 HA LYS 96 -0.514 -1.434 5.071 678 HB2 LYS 96 1HB LYS 96 -2.450 -0.821 2.840 679 HB3 LYS 96 2HB LYS 96 -2.650 -2.187 3.930 680 HG2 LYS 96 1HG LYS 96 -2.279 0.512 5.113 681 HG3 LYS 96 2HG LYS 96 -3.833 0.122 4.373 682 HD2 LYS 96 1HD LYS 96 -3.802 -1.988 5.795 683 HD3 LYS 96 2HD LYS 96 -2.465 -1.246 6.677 684 HE2 LYS 96 1HE LYS 96 -3.812 0.520 7.444 685 HE3 LYS 96 2HE LYS 96 -5.078 0.176 6.266 686 HZ1 LYS 96 1HZ LYS 96 -5.713 -1.752 7.440 687 HZ2 LYS 96 2HZ LYS 96 -5.549 -0.537 8.605 688 HZ3 LYS 96 3HZ LYS 96 -4.342 -1.709 8.431 689 H ILE 97 H ILE 97 -1.075 -3.744 4.365 690 HA ILE 97 HA ILE 97 0.433 -4.488 1.953 691 HB ILE 97 HB ILE 97 0.670 -5.802 4.661 692 HG12 ILE 97 1HG1 ILE 97 2.919 -4.672 3.021 693 HG13 ILE 97 2HG1 ILE 97 1.959 -3.623 4.058 694 HG21 ILE 97 1HG2 ILE 97 1.760 -6.615 1.974 695 HG22 ILE 97 2HG2 ILE 97 2.337 -7.267 3.507 696 HG23 ILE 97 3HG2 ILE 97 0.664 -7.527 3.013 697 HD11 ILE 97 1HD1 ILE 97 2.976 -4.342 5.903 698 HD12 ILE 97 2HD1 ILE 97 2.901 -6.031 5.398 699 HD13 ILE 97 3HD1 ILE 97 4.196 -4.990 4.807 700 H LEU 98 H LEU 98 -0.259 -6.346 0.889 701 HA LEU 98 HA LEU 98 -2.831 -7.439 1.824 702 HB2 LEU 98 1HB LEU 98 -2.794 -5.967 -0.272 703 HB3 LEU 98 2HB LEU 98 -1.980 -7.321 -1.052 704 HG LEU 98 HG LEU 98 -4.026 -8.701 -0.306 705 HD11 LEU 98 1HD1 LEU 98 -5.066 -7.203 1.210 706 HD12 LEU 98 2HD1 LEU 98 -6.100 -7.285 -0.216 707 HD13 LEU 98 3HD1 LEU 98 -5.049 -5.891 0.031 708 HD21 LEU 98 1HD2 LEU 98 -5.146 -8.221 -2.343 709 HD22 LEU 98 2HD2 LEU 98 -3.425 -7.964 -2.634 710 HD23 LEU 98 3HD2 LEU 98 -4.495 -6.582 -2.393 711 H LYS 99 H LYS 99 -2.684 -9.484 2.429 712 HA LYS 99 HA LYS 99 -0.673 -11.202 1.131 713 HB2 LYS 99 1HB LYS 99 -0.528 -10.693 3.658 714 HB3 LYS 99 2HB LYS 99 -1.915 -11.763 3.813 715 HG2 LYS 99 1HG LYS 99 0.124 -12.973 4.254 716 HG3 LYS 99 2HG LYS 99 -0.622 -13.570 2.770 717 HD2 LYS 99 1HD LYS 99 0.943 -12.344 1.423 718 HD3 LYS 99 2HD LYS 99 1.605 -11.537 2.846 719 HE2 LYS 99 1HE LYS 99 3.157 -13.212 2.407 720 HE3 LYS 99 2HE LYS 99 2.150 -13.914 3.672 721 HZ1 LYS 99 1HZ LYS 99 1.627 -15.575 2.328 722 HZ2 LYS 99 2HZ LYS 99 2.685 -14.961 1.160 723 HZ3 LYS 99 3HZ LYS 99 1.054 -14.512 1.143 724 H LYS 100 H LYS 100 -1.726 -12.257 -0.450 725 HA LYS 100 HA LYS 100 -3.305 -13.495 -1.543 726 HB2 LYS 100 1HB LYS 100 -3.526 -14.834 1.159 727 HB3 LYS 100 2HB LYS 100 -3.967 -15.536 -0.392 728 HG2 LYS 100 1HG LYS 100 -1.512 -15.158 -1.035 729 HG3 LYS 100 2HG LYS 100 -1.241 -14.950 0.697 730 HD2 LYS 100 1HD LYS 100 -2.742 -17.338 -0.291 731 HD3 LYS 100 2HD LYS 100 -0.980 -17.307 -0.399 732 HE2 LYS 100 1HE LYS 100 -1.418 -18.330 1.658 733 HE3 LYS 100 2HE LYS 100 -1.021 -16.664 2.075 734 HZ1 LYS 100 1HZ LYS 100 -2.976 -16.476 3.063 735 HZ2 LYS 100 2HZ LYS 100 -3.347 -18.082 2.683 736 HZ3 LYS 100 3HZ LYS 100 -3.782 -16.840 1.621 737 H GLY 101 H GLY 101 -4.260 -11.068 -0.152 738 HA2 GLY 101 1HA GLY 101 -6.459 -10.182 -0.419 739 HA3 GLY 101 2HA GLY 101 -7.108 -11.791 -0.138 740 H GLN 102 H GLN 102 -4.609 -10.904 1.994 741 HA GLN 102 HA GLN 102 -6.601 -10.358 4.092 742 HB2 GLN 102 1HB GLN 102 -5.373 -12.427 4.464 743 HB3 GLN 102 2HB GLN 102 -3.843 -11.575 4.311 744 HG2 GLN 102 1HG GLN 102 -4.132 -11.852 6.603 745 HG3 GLN 102 2HG GLN 102 -4.608 -10.182 6.298 746 HE21 GLN 102 1HE2 GLN 102 -5.799 -10.209 8.242 747 HE22 GLN 102 2HE2 GLN 102 -7.344 -10.978 8.332 748 H ALA 103 H ALA 103 -6.649 -8.356 4.844 749 HA ALA 103 HA ALA 103 -4.626 -6.445 4.163 750 HB1 ALA 103 1HB ALA 103 -7.171 -6.316 5.743 751 HB2 ALA 103 2HB ALA 103 -6.057 -4.949 5.681 752 HB3 ALA 103 3HB ALA 103 -6.785 -5.562 4.196 753 H VAL 104 H VAL 104 -2.770 -6.220 5.210 754 HA VAL 104 HA VAL 104 -2.678 -6.870 8.083 755 HB VAL 104 HB VAL 104 -0.472 -6.973 6.023 756 HG11 VAL 104 1HG1 VAL 104 0.498 -8.142 8.310 757 HG12 VAL 104 2HG1 VAL 104 0.895 -6.522 7.734 758 HG13 VAL 104 3HG1 VAL 104 -0.383 -6.746 8.929 759 HG21 VAL 104 1HG2 VAL 104 -1.869 -9.113 7.623 760 HG22 VAL 104 2HG2 VAL 104 -1.937 -8.876 5.877 761 HG23 VAL 104 3HG2 VAL 104 -0.429 -9.379 6.640 762 H ASP 105 H ASP 105 -2.841 -5.035 9.208 763 HA ASP 105 HA ASP 105 -2.232 -2.468 8.332 764 HB2 ASP 105 1HB ASP 105 -1.970 -3.236 11.224 765 HB3 ASP 105 2HB ASP 105 -2.615 -1.752 10.528 766 H TYR 106 H TYR 106 -0.421 -1.286 8.189 767 HA TYR 106 HA TYR 106 2.092 -2.567 9.007 768 HB2 TYR 106 1HB TYR 106 2.095 -2.094 6.673 769 HB3 TYR 106 2HB TYR 106 1.467 -0.469 6.929 770 HD1 TYR 106 2HD TYR 106 4.448 -2.620 7.357 771 HD2 TYR 106 1HD TYR 106 2.924 1.353 7.343 772 HE1 TYR 106 2HE TYR 106 6.746 -1.744 7.389 773 HE2 TYR 106 1HE TYR 106 5.218 2.239 7.374 774 HH TYR 106 HH TYR 106 7.777 0.686 8.278 775 H ASP 107 H ASP 107 2.693 -1.924 10.974 776 HA ASP 107 HA ASP 107 2.332 0.895 11.721 777 HB2 ASP 107 1HB ASP 107 2.928 -0.031 14.053 778 HB3 ASP 107 2HB ASP 107 1.350 -0.437 13.384 779 H GLY 108 H GLY 108 4.132 1.672 10.536 780 HA2 GLY 108 1HA GLY 108 6.693 1.123 11.881 781 HA3 GLY 108 2HA GLY 108 6.606 1.086 10.126 782 H SER 109 H SER 109 8.167 2.761 10.030 783 HA SER 109 HA SER 109 7.128 5.409 10.802 784 HB2 SER 109 1HB SER 109 9.932 4.321 10.723 785 HB3 SER 109 2HB SER 109 9.634 6.057 10.626 786 HG SER 109 HG SER 109 9.956 5.332 12.783 787 H ARG 110 H ARG 110 6.890 3.687 8.280 788 HA ARG 110 HA ARG 110 6.839 3.986 6.025 789 HB2 ARG 110 1HB ARG 110 7.047 6.919 6.726 790 HB3 ARG 110 2HB ARG 110 6.448 6.245 5.216 791 HG2 ARG 110 1HG ARG 110 4.624 5.147 6.527 792 HG3 ARG 110 2HG ARG 110 5.175 6.060 7.933 793 HD2 ARG 110 1HD ARG 110 4.616 7.528 5.404 794 HD3 ARG 110 2HD ARG 110 3.253 6.965 6.371 795 HE ARG 110 HE ARG 110 5.016 9.135 6.977 796 HH11 ARG 110 2HH1 ARG 110 2.971 6.682 8.364 797 HH12 ARG 110 1HH1 ARG 110 2.688 7.562 9.830 798 HH21 ARG 110 2HH2 ARG 110 4.651 10.303 8.903 799 HH22 ARG 110 1HH2 ARG 110 3.644 9.622 10.135 800 H THR 111 H THR 111 9.361 3.419 7.101 801 HA THR 111 HA THR 111 11.185 5.073 5.491 802 HB THR 111 HB THR 111 12.903 3.594 6.902 803 HG1 THR 111 1HG THR 111 10.870 3.946 8.826 804 HG21 THR 111 1HG2 THR 111 13.234 5.835 7.171 805 HG22 THR 111 2HG2 THR 111 12.528 5.482 8.748 806 HG23 THR 111 3HG2 THR 111 11.527 6.162 7.466 807 H GLN 112 H GLN 112 12.848 4.017 4.258 808 HA GLN 112 HA GLN 112 11.892 1.865 2.708 809 HB2 GLN 112 1HB GLN 112 13.532 3.658 1.991 810 HB3 GLN 112 2HB GLN 112 14.763 2.774 2.883 811 HG2 GLN 112 1HG GLN 112 14.785 1.026 1.396 812 HG3 GLN 112 2HG GLN 112 13.144 1.342 0.835 813 HE21 GLN 112 1HE2 GLN 112 15.830 3.603 1.149 814 HE22 GLN 112 2HE2 GLN 112 15.935 3.993 -0.531 815 H GLU 113 H GLU 113 14.051 2.040 5.463 816 HA GLU 113 HA GLU 113 14.955 -0.670 5.253 817 HB2 GLU 113 1HB GLU 113 16.052 -0.297 7.352 818 HB3 GLU 113 2HB GLU 113 16.242 1.154 6.377 819 HG2 GLU 113 1HG GLU 113 14.062 1.880 7.682 820 HG3 GLU 113 2HG GLU 113 14.681 0.723 8.860 821 H GLU 114 H GLU 114 12.388 1.007 6.961 822 HA GLU 114 HA GLU 114 11.650 -1.315 8.509 823 HB2 GLU 114 1HB GLU 114 10.223 1.322 8.116 824 HB3 GLU 114 2HB GLU 114 9.765 0.082 9.275 825 HG2 GLU 114 1HG GLU 114 12.389 1.555 9.267 826 HG3 GLU 114 2HG GLU 114 11.010 1.936 10.295 827 H ILE 115 H ILE 115 9.788 0.673 6.204 828 HA ILE 115 HA ILE 115 7.660 -0.912 5.730 829 HB ILE 115 HB ILE 115 9.228 0.543 3.598 830 HG12 ILE 115 1HG1 ILE 115 6.764 1.480 5.066 831 HG13 ILE 115 2HG1 ILE 115 8.392 1.844 5.629 832 HG21 ILE 115 1HG2 ILE 115 6.301 -0.094 3.488 833 HG22 ILE 115 2HG2 ILE 115 7.381 0.392 2.182 834 HG23 ILE 115 3HG2 ILE 115 7.511 -1.223 2.878 835 HD11 ILE 115 1HD1 ILE 115 8.748 3.375 4.017 836 HD12 ILE 115 2HD1 ILE 115 7.809 2.492 2.814 837 HD13 ILE 115 3HD1 ILE 115 6.987 3.461 4.037 838 H VAL 116 H VAL 116 10.906 -1.407 4.457 839 HA VAL 116 HA VAL 116 10.151 -3.627 2.795 840 HB VAL 116 HB VAL 116 12.873 -2.664 3.684 841 HG11 VAL 116 1HG1 VAL 116 12.858 -4.242 1.276 842 HG12 VAL 116 2HG1 VAL 116 13.800 -4.458 2.753 843 HG13 VAL 116 3HG1 VAL 116 12.186 -5.158 2.624 844 HG21 VAL 116 1HG2 VAL 116 11.354 -1.234 2.159 845 HG22 VAL 116 2HG2 VAL 116 13.027 -1.509 1.673 846 HG23 VAL 116 3HG2 VAL 116 11.728 -2.438 0.926 847 H ALA 117 H ALA 117 11.560 -3.200 5.996 848 HA ALA 117 HA ALA 117 12.334 -5.834 6.502 849 HB1 ALA 117 1HB ALA 117 13.131 -4.448 8.119 850 HB2 ALA 117 2HB ALA 117 11.654 -3.485 8.179 851 HB3 ALA 117 3HB ALA 117 11.710 -5.063 8.965 852 H LYS 118 H LYS 118 9.226 -4.220 7.076 853 HA LYS 118 HA LYS 118 7.981 -6.520 8.215 854 HB2 LYS 118 1HB LYS 118 7.135 -4.331 8.763 855 HB3 LYS 118 2HB LYS 118 6.842 -3.968 7.067 856 HG2 LYS 118 1HG LYS 118 4.754 -4.466 8.108 857 HG3 LYS 118 2HG LYS 118 5.163 -5.797 7.022 858 HD2 LYS 118 1HD LYS 118 4.356 -6.772 9.033 859 HD3 LYS 118 2HD LYS 118 6.107 -6.996 9.026 860 HE2 LYS 118 1HE LYS 118 4.981 -4.571 10.338 861 HE3 LYS 118 2HE LYS 118 4.835 -6.121 11.166 862 HZ1 LYS 118 1HZ LYS 118 6.864 -5.632 11.928 863 HZ2 LYS 118 2HZ LYS 118 7.169 -4.483 10.725 864 HZ3 LYS 118 3HZ LYS 118 7.413 -6.126 10.406 865 H VAL 119 H VAL 119 7.479 -4.874 5.086 866 HA VAL 119 HA VAL 119 5.759 -6.641 3.898 867 HB VAL 119 HB VAL 119 7.976 -4.992 2.712 868 HG11 VAL 119 1HG1 VAL 119 6.801 -5.483 0.497 869 HG12 VAL 119 2HG1 VAL 119 7.855 -6.738 1.151 870 HG13 VAL 119 3HG1 VAL 119 6.104 -6.880 1.316 871 HG21 VAL 119 1HG2 VAL 119 6.224 -3.626 3.439 872 HG22 VAL 119 2HG2 VAL 119 5.905 -3.847 1.718 873 HG23 VAL 119 3HG2 VAL 119 4.990 -4.769 2.910 874 H ARG 120 H ARG 120 9.303 -6.726 3.461 875 HA ARG 120 HA ARG 120 9.430 -9.149 2.110 876 HB2 ARG 120 1HB ARG 120 11.340 -7.669 2.225 877 HB3 ARG 120 2HB ARG 120 11.444 -7.877 3.968 878 HG2 ARG 120 1HG ARG 120 11.838 -10.343 3.495 879 HG3 ARG 120 2HG ARG 120 12.082 -9.863 1.814 880 HD2 ARG 120 1HD ARG 120 13.725 -8.118 2.891 881 HD3 ARG 120 2HD ARG 120 13.736 -9.274 4.222 882 HE ARG 120 HE ARG 120 15.045 -9.554 1.715 883 HH11 ARG 120 2HH1 ARG 120 13.405 -11.349 4.207 884 HH12 ARG 120 1HH1 ARG 120 14.243 -12.829 3.874 885 HH21 ARG 120 2HH2 ARG 120 16.154 -11.496 1.267 886 HH22 ARG 120 1HH2 ARG 120 15.807 -12.911 2.202 887 H GLU 121 H GLU 121 8.873 -8.511 5.455 888 HA GLU 121 HA GLU 121 9.564 -11.178 6.331 889 HB2 GLU 121 1HB GLU 121 9.954 -9.636 8.018 890 HB3 GLU 121 2HB GLU 121 8.505 -8.712 7.651 891 HG2 GLU 121 1HG GLU 121 7.147 -10.081 8.872 892 HG3 GLU 121 2HG GLU 121 8.191 -11.486 8.663 893 H VAL 122 H VAL 122 6.680 -9.368 5.492 894 HA VAL 122 HA VAL 122 4.851 -11.377 6.423 895 HB VAL 122 HB VAL 122 4.351 -9.071 4.535 896 HG11 VAL 122 1HG1 VAL 122 2.237 -10.285 6.236 897 HG12 VAL 122 2HG1 VAL 122 2.110 -9.497 4.663 898 HG13 VAL 122 3HG1 VAL 122 2.730 -11.144 4.778 899 HG21 VAL 122 1HG2 VAL 122 3.374 -8.907 7.293 900 HG22 VAL 122 2HG2 VAL 122 5.131 -8.880 7.139 901 HG23 VAL 122 3HG2 VAL 122 4.153 -7.684 6.289 902 H SER 123 H SER 123 6.377 -10.549 3.372 903 HA SER 123 HA SER 123 4.808 -12.048 1.625 904 HB2 SER 123 1HB SER 123 6.585 -11.865 0.065 905 HB3 SER 123 2HB SER 123 6.692 -10.413 1.061 906 HG SER 123 HG SER 123 8.262 -11.682 2.338 907 H GLN 124 H GLN 124 7.374 -13.028 3.799 908 HA GLN 124 HA GLN 124 7.964 -15.550 2.797 909 HB2 GLN 124 1HB GLN 124 7.809 -14.823 5.725 910 HB3 GLN 124 2HB GLN 124 8.781 -16.096 5.000 911 HG2 GLN 124 1HG GLN 124 9.145 -13.127 4.716 912 HG3 GLN 124 2HG GLN 124 10.215 -14.274 5.519 913 HE21 GLN 124 1HE2 GLN 124 10.805 -12.412 3.375 914 HE22 GLN 124 2HE2 GLN 124 11.384 -13.360 2.052 915 HA PRO 125 HA PRO 125 4.270 -17.880 3.365 916 HB2 PRO 125 1HB PRO 125 5.349 -20.372 3.345 917 HB3 PRO 125 2HB PRO 125 5.178 -19.387 1.887 918 HG2 PRO 125 1HG PRO 125 7.589 -19.821 3.607 919 HG3 PRO 125 2HG PRO 125 7.468 -19.789 1.838 920 HD2 PRO 125 1HD PRO 125 8.363 -17.676 3.277 921 HD3 PRO 125 2HD PRO 125 7.468 -17.485 1.755 922 H ASP 126 H ASP 126 7.016 -18.241 5.501 923 HA ASP 126 HA ASP 126 5.628 -19.839 7.442 924 HB2 ASP 126 1HB ASP 126 8.263 -18.371 7.473 925 HB3 ASP 126 2HB ASP 126 7.645 -19.228 8.882 926 H TRP 127 H TRP 127 6.452 -16.423 7.080 927 HA TRP 127 HA TRP 127 5.707 -15.472 9.568 928 HB2 TRP 127 1HB TRP 127 6.774 -13.980 8.047 929 HB3 TRP 127 2HB TRP 127 5.514 -14.206 6.836 930 HD1 TRP 127 HD TRP 127 6.492 -11.989 9.665 931 HE1 TRP 127 1HE TRP 127 4.636 -10.266 10.120 932 HE3 TRP 127 3HE TRP 127 2.769 -14.035 6.821 933 HZ2 TRP 127 2HZ TRP 127 1.948 -9.831 9.374 934 HZ3 TRP 127 3HZ TRP 127 0.585 -12.904 6.746 935 HH2 TRP 127 HH TRP 127 0.185 -10.846 7.998 936 H THR 128 H THR 128 3.797 -14.653 10.441 937 HA THR 128 HA THR 128 1.314 -15.251 8.991 938 HB THR 128 HB THR 128 0.325 -16.053 11.176 939 HG1 THR 128 1HG THR 128 2.405 -15.214 12.279 940 HG21 THR 128 1HG2 THR 128 1.517 -18.319 11.023 941 HG22 THR 128 2HG2 THR 128 2.468 -17.587 9.731 942 HG23 THR 128 3HG2 THR 128 0.717 -17.720 9.571 943 HA PRO 129 HA PRO 129 0.048 -11.263 10.344 944 HB2 PRO 129 1HB PRO 129 -2.647 -11.585 10.296 945 HB3 PRO 129 2HB PRO 129 -1.669 -11.448 8.829 946 HG2 PRO 129 1HG PRO 129 -2.753 -13.900 10.160 947 HG3 PRO 129 2HG PRO 129 -2.706 -13.492 8.435 948 HD2 PRO 129 1HD PRO 129 -0.920 -15.172 9.584 949 HD3 PRO 129 2HD PRO 129 -0.499 -14.118 8.219 950 HA PRO 130 HA PRO 130 -0.565 -11.510 14.711 951 HB2 PRO 130 1HB PRO 130 -1.317 -8.941 15.164 952 HB3 PRO 130 2HB PRO 130 0.351 -9.405 14.804 953 HG2 PRO 130 1HG PRO 130 -1.738 -8.274 12.981 954 HG3 PRO 130 2HG PRO 130 -0.018 -7.861 13.104 955 HD2 PRO 130 1HD PRO 130 -0.990 -9.489 11.171 956 HD3 PRO 130 2HD PRO 130 0.638 -9.682 11.852 957 HA PRO 131 HA PRO 131 -4.843 -12.169 15.506 958 HB2 PRO 131 1HB PRO 131 -4.963 -11.638 18.165 959 HB3 PRO 131 2HB PRO 131 -4.204 -13.093 17.510 960 HG2 PRO 131 1HG PRO 131 -2.932 -10.543 18.429 961 HG3 PRO 131 2HG PRO 131 -2.422 -12.217 18.720 962 HD2 PRO 131 1HD PRO 131 -1.275 -10.651 16.832 963 HD3 PRO 131 2HD PRO 131 -1.436 -12.409 16.646 964 H GLU 132 H GLU 132 -6.720 -11.080 16.838 965 HA GLU 132 HA GLU 132 -8.177 -9.339 16.982 966 HB2 GLU 132 1HB GLU 132 -6.253 -8.556 18.500 967 HB3 GLU 132 2HB GLU 132 -5.803 -7.498 17.170 968 HG2 GLU 132 1HG GLU 132 -7.105 -6.098 18.416 969 HG3 GLU 132 2HG GLU 132 -8.301 -6.754 17.299 970 H VAL 133 H VAL 133 -7.461 -10.172 14.398 971 HA VAL 133 HA VAL 133 -6.789 -8.040 12.673 972 HB VAL 133 HB VAL 133 -7.971 -9.511 10.919 973 HG11 VAL 133 1HG1 VAL 133 -5.682 -9.645 10.839 974 HG12 VAL 133 2HG1 VAL 133 -5.545 -10.190 12.512 975 HG13 VAL 133 3HG1 VAL 133 -6.090 -11.308 11.262 976 HG21 VAL 133 1HG2 VAL 133 -7.877 -11.528 13.152 977 HG22 VAL 133 2HG2 VAL 133 -9.351 -10.693 12.662 978 HG23 VAL 133 3HG2 VAL 133 -8.513 -11.746 11.522 979 H THR 134 H THR 134 -8.115 -6.832 11.255 980 HA THR 134 HA THR 134 -10.933 -6.612 12.092 981 HB THR 134 HB THR 134 -10.749 -4.155 11.541 982 HG1 THR 134 1HG THR 134 -8.836 -3.326 11.057 983 HG21 THR 134 1HG2 THR 134 -10.831 -4.847 13.845 984 HG22 THR 134 2HG2 THR 134 -9.615 -3.580 13.688 985 HG23 THR 134 3HG2 THR 134 -9.119 -5.266 13.826 986 H SER 135 H SER 135 -11.769 -7.770 10.384 987 HA SER 135 HA SER 135 -11.039 -7.041 7.664 988 HB2 SER 135 1HB SER 135 -11.568 -9.443 8.639 989 HB3 SER 135 2HB SER 135 -13.230 -8.983 8.273 990 HG SER 135 HG SER 135 -11.779 -10.063 6.586 991 H GLY 136 H GLY 136 -12.723 -6.576 6.058 992 HA2 GLY 136 1HA GLY 136 -14.764 -4.808 7.226 993 HA3 GLY 136 2HA GLY 136 -14.120 -4.685 5.595 994 HA PRO 137 HA PRO 137 -18.091 -7.382 5.966 995 HB2 PRO 137 1HB PRO 137 -20.025 -5.507 5.634 996 HB3 PRO 137 2HB PRO 137 -19.441 -6.014 7.224 997 HG2 PRO 137 1HG PRO 137 -18.707 -3.596 5.618 998 HG3 PRO 137 2HG PRO 137 -19.041 -3.727 7.355 999 HD2 PRO 137 1HD PRO 137 -16.526 -3.615 6.359 1000 HD3 PRO 137 2HD PRO 137 -16.932 -4.526 7.828 1001 H SER 138 H SER 138 -18.602 -8.293 4.078 1002 HA SER 138 HA SER 138 -17.919 -6.993 1.606 1003 HB2 SER 138 1HB SER 138 -17.708 -9.509 2.201 1004 HB3 SER 138 2HB SER 138 -19.423 -9.592 1.800 1005 HG SER 138 HG SER 138 -18.538 -8.362 -0.203 1006 H SER 139 H SER 139 -20.939 -8.314 2.963 1007 HA SER 139 HA SER 139 -22.504 -6.151 1.985 1008 HB2 SER 139 1HB SER 139 -22.063 -7.477 -0.126 1009 HB3 SER 139 2HB SER 139 -22.994 -8.790 0.594 1010 HG SER 139 HG SER 139 -24.065 -7.078 -0.827 1011 H GLY 140 H GLY 140 -24.777 -6.367 2.534 1012 HA2 GLY 140 1HA GLY 140 -26.565 -7.202 3.754 1013 HA3 GLY 140 2HA GLY 140 -25.634 -8.660 4.061 Start of MODEL 5 1 H1 GLY 1 H GLY 1 7.061 -14.149 -15.390 2 HA2 GLY 1 1HA GLY 1 6.672 -16.184 -16.723 3 HA3 GLY 1 2HA GLY 1 5.470 -16.636 -15.524 4 H SER 2 H SER 2 5.396 -16.081 -18.509 5 HA SER 2 HA SER 2 3.421 -13.911 -18.545 6 HB2 SER 2 1HB SER 2 5.339 -13.872 -20.174 7 HB3 SER 2 2HB SER 2 4.666 -15.326 -20.912 8 HG SER 2 HG SER 2 2.773 -14.131 -21.361 9 H SER 3 H SER 3 1.315 -14.280 -18.870 10 HA SER 3 HA SER 3 0.409 -17.031 -19.011 11 HB2 SER 3 1HB SER 3 -1.105 -14.429 -18.692 12 HB3 SER 3 2HB SER 3 -1.852 -16.026 -18.669 13 HG SER 3 HG SER 3 -1.470 -15.657 -16.578 14 H GLY 4 H GLY 4 -0.089 -14.029 -20.864 15 HA2 GLY 4 1HA GLY 4 0.121 -15.120 -23.387 16 HA3 GLY 4 2HA GLY 4 -1.566 -15.319 -22.939 17 H SER 5 H SER 5 -0.790 -13.786 -25.120 18 HA SER 5 HA SER 5 -0.633 -11.015 -24.435 19 HB2 SER 5 1HB SER 5 0.111 -12.232 -26.626 20 HB3 SER 5 2HB SER 5 -1.565 -11.989 -27.118 21 HG SER 5 HG SER 5 -1.286 -9.802 -26.975 22 H SER 6 H SER 6 -2.466 -10.969 -22.951 23 HA SER 6 HA SER 6 -4.970 -10.448 -24.396 24 HB2 SER 6 1HB SER 6 -4.875 -12.705 -23.106 25 HB3 SER 6 2HB SER 6 -5.020 -11.700 -21.664 26 HG SER 6 HG SER 6 -6.839 -11.961 -23.813 27 H GLY 7 H GLY 7 -4.653 -8.231 -24.275 28 HA2 GLY 7 1HA GLY 7 -4.827 -7.112 -21.545 29 HA3 GLY 7 2HA GLY 7 -3.828 -6.375 -22.789 30 H ASP 8 H ASP 8 -6.947 -6.592 -21.423 31 HA ASP 8 HA ASP 8 -8.159 -5.119 -23.648 32 HB2 ASP 8 1HB ASP 8 -9.503 -6.239 -21.182 33 HB3 ASP 8 2HB ASP 8 -10.296 -5.607 -22.622 34 H ASP 9 H ASP 9 -9.229 -3.138 -23.321 35 HA ASP 9 HA ASP 9 -7.925 -1.378 -21.512 36 HB2 ASP 9 1HB ASP 9 -10.493 -0.779 -22.975 37 HB3 ASP 9 2HB ASP 9 -9.236 0.350 -22.476 38 H ASP 10 H ASP 10 -10.218 -3.634 -20.912 39 HA ASP 10 HA ASP 10 -12.015 -2.212 -19.222 40 HB2 ASP 10 1HB ASP 10 -11.429 -5.080 -19.789 41 HB3 ASP 10 2HB ASP 10 -12.308 -4.695 -18.312 42 H LEU 11 H LEU 11 -9.148 -4.213 -18.607 43 HA LEU 11 HA LEU 11 -8.963 -2.968 -15.947 44 HB2 LEU 11 1HB LEU 11 -7.906 -5.714 -16.354 45 HB3 LEU 11 2HB LEU 11 -8.527 -4.949 -14.892 46 HG LEU 11 HG LEU 11 -10.407 -5.628 -17.115 47 HD11 LEU 11 1HD1 LEU 11 -9.181 -7.676 -16.820 48 HD12 LEU 11 2HD1 LEU 11 -10.762 -7.836 -16.055 49 HD13 LEU 11 3HD1 LEU 11 -9.329 -7.558 -15.066 50 HD21 LEU 11 1HD2 LEU 11 -10.891 -5.882 -14.177 51 HD22 LEU 11 2HD2 LEU 11 -12.033 -5.542 -15.477 52 HD23 LEU 11 3HD2 LEU 11 -10.908 -4.293 -14.941 53 H GLU 12 H GLU 12 -7.487 -1.447 -16.786 54 HA GLU 12 HA GLU 12 -4.900 -2.546 -17.656 55 HB2 GLU 12 1HB GLU 12 -4.440 -0.385 -18.647 56 HB3 GLU 12 2HB GLU 12 -5.994 -0.974 -19.220 57 HG2 GLU 12 1HG GLU 12 -7.091 0.462 -17.506 58 HG3 GLU 12 2HG GLU 12 -5.506 1.139 -17.137 59 H VAL 13 H VAL 13 -2.981 -1.828 -16.708 60 HA VAL 13 HA VAL 13 -3.284 -0.328 -14.191 61 HB VAL 13 HB VAL 13 -1.553 -2.759 -14.655 62 HG11 VAL 13 1HG1 VAL 13 -0.255 -1.345 -13.305 63 HG12 VAL 13 2HG1 VAL 13 -1.657 -0.791 -12.387 64 HG13 VAL 13 3HG1 VAL 13 -1.056 -2.436 -12.175 65 HG21 VAL 13 1HG2 VAL 13 -2.915 -3.850 -13.028 66 HG22 VAL 13 2HG2 VAL 13 -3.772 -2.354 -12.656 67 HG23 VAL 13 3HG2 VAL 13 -3.994 -3.131 -14.223 68 H LYS 14 H LYS 14 -2.061 1.430 -14.099 69 HA LYS 14 HA LYS 14 0.142 1.720 -16.011 70 HB2 LYS 14 1HB LYS 14 -1.258 3.804 -14.326 71 HB3 LYS 14 2HB LYS 14 -0.009 4.126 -15.522 72 HG2 LYS 14 1HG LYS 14 -1.558 3.057 -17.219 73 HG3 LYS 14 2HG LYS 14 -2.810 3.148 -15.978 74 HD2 LYS 14 1HD LYS 14 -2.691 5.516 -15.908 75 HD3 LYS 14 2HD LYS 14 -1.207 5.539 -16.863 76 HE2 LYS 14 1HE LYS 14 -2.782 6.103 -18.446 77 HE3 LYS 14 2HE LYS 14 -2.680 4.356 -18.660 78 HZ1 LYS 14 1HZ LYS 14 -4.867 4.341 -18.367 79 HZ2 LYS 14 2HZ LYS 14 -4.901 5.949 -17.845 80 HZ3 LYS 14 3HZ LYS 14 -4.594 4.707 -16.738 81 H GLU 15 H GLU 15 1.900 3.326 -15.058 82 HA GLU 15 HA GLU 15 2.551 2.729 -12.290 83 HB2 GLU 15 1HB GLU 15 4.656 1.707 -12.724 84 HB3 GLU 15 2HB GLU 15 3.466 0.843 -13.688 85 HG2 GLU 15 1HG GLU 15 4.157 2.386 -15.600 86 HG3 GLU 15 2HG GLU 15 5.547 2.796 -14.597 87 H GLU 16 H GLU 16 4.065 4.142 -11.384 88 HA GLU 16 HA GLU 16 5.003 6.326 -13.112 89 HB2 GLU 16 1HB GLU 16 3.440 6.539 -10.555 90 HB3 GLU 16 2HB GLU 16 4.508 7.836 -11.070 91 HG2 GLU 16 1HG GLU 16 3.155 7.561 -13.325 92 HG3 GLU 16 2HG GLU 16 1.937 6.920 -12.224 93 H ASN 17 H ASN 17 7.101 5.524 -13.069 94 HA ASN 17 HA ASN 17 9.253 5.519 -12.304 95 HB2 ASN 17 1HB ASN 17 8.258 7.512 -10.870 96 HB3 ASN 17 2HB ASN 17 8.453 6.360 -9.552 97 HD21 ASN 17 1HD2 ASN 17 9.839 8.926 -10.535 98 HD22 ASN 17 2HD2 ASN 17 11.517 8.535 -10.414 99 H GLY 18 H GLY 18 7.702 3.206 -12.258 100 HA2 GLY 18 1HA GLY 18 8.259 1.033 -11.568 101 HA3 GLY 18 2HA GLY 18 9.112 1.712 -10.191 102 H VAL 19 H VAL 19 6.674 3.430 -9.647 103 HA VAL 19 HA VAL 19 5.361 1.504 -7.930 104 HB VAL 19 HB VAL 19 4.823 4.461 -8.245 105 HG11 VAL 19 1HG1 VAL 19 3.976 3.990 -5.805 106 HG12 VAL 19 2HG1 VAL 19 2.931 3.694 -7.196 107 HG13 VAL 19 3HG1 VAL 19 3.772 2.351 -6.422 108 HG21 VAL 19 1HG2 VAL 19 7.091 4.133 -7.516 109 HG22 VAL 19 2HG2 VAL 19 6.127 4.666 -6.139 110 HG23 VAL 19 3HG2 VAL 19 6.575 2.968 -6.297 111 H TRP 20 H TRP 20 3.822 0.268 -8.788 112 HA TRP 20 HA TRP 20 2.329 0.930 -11.095 113 HB2 TRP 20 1HB TRP 20 1.726 -1.140 -8.971 114 HB3 TRP 20 2HB TRP 20 1.008 -1.075 -10.578 115 HD1 TRP 20 HD TRP 20 4.017 -2.349 -8.728 116 HE1 TRP 20 1HE TRP 20 5.591 -3.560 -10.364 117 HE3 TRP 20 3HE TRP 20 1.842 -0.944 -13.136 118 HZ2 TRP 20 2HZ TRP 20 5.874 -3.877 -13.154 119 HZ3 TRP 20 3HZ TRP 20 2.827 -1.744 -15.244 120 HH2 TRP 20 HH TRP 20 4.802 -3.180 -15.251 121 H VAL 21 H VAL 21 0.063 1.331 -11.285 122 HA VAL 21 HA VAL 21 -1.024 2.809 -8.982 123 HB VAL 21 HB VAL 21 -1.642 3.128 -11.922 124 HG11 VAL 21 1HG1 VAL 21 -3.572 3.509 -10.362 125 HG12 VAL 21 2HG1 VAL 21 -2.638 4.820 -9.639 126 HG13 VAL 21 3HG1 VAL 21 -3.111 4.904 -11.337 127 HG21 VAL 21 1HG2 VAL 21 -0.695 5.501 -10.668 128 HG22 VAL 21 2HG2 VAL 21 0.430 4.191 -10.310 129 HG23 VAL 21 3HG2 VAL 21 0.036 4.582 -11.984 130 H LEU 22 H LEU 22 -2.244 1.350 -7.898 131 HA LEU 22 HA LEU 22 -4.078 -0.371 -9.385 132 HB2 LEU 22 1HB LEU 22 -3.184 -0.291 -6.519 133 HB3 LEU 22 2HB LEU 22 -4.531 -1.293 -7.053 134 HG LEU 22 HG LEU 22 -1.640 -1.534 -7.870 135 HD11 LEU 22 1HD1 LEU 22 -3.475 -3.435 -6.418 136 HD12 LEU 22 2HD1 LEU 22 -2.225 -2.445 -5.664 137 HD13 LEU 22 3HD1 LEU 22 -1.777 -3.707 -6.812 138 HD21 LEU 22 1HD2 LEU 22 -2.984 -3.723 -8.862 139 HD22 LEU 22 2HD2 LEU 22 -2.405 -2.347 -9.801 140 HD23 LEU 22 3HD2 LEU 22 -4.071 -2.382 -9.223 141 H ASN 23 H ASN 23 -6.317 -0.596 -8.588 142 HA ASN 23 HA ASN 23 -7.546 1.331 -6.946 143 HB2 ASN 23 1HB ASN 23 -8.864 2.328 -9.035 144 HB3 ASN 23 2HB ASN 23 -7.374 3.058 -8.444 145 HD21 ASN 23 1HD2 ASN 23 -8.578 0.662 -10.750 146 HD22 ASN 23 2HD2 ASN 23 -7.377 0.963 -11.955 147 H ASP 24 H ASP 24 -9.971 1.268 -7.165 148 HA ASP 24 HA ASP 24 -10.995 -1.229 -6.917 149 HB2 ASP 24 1HB ASP 24 -13.213 -0.284 -7.389 150 HB3 ASP 24 2HB ASP 24 -12.261 0.797 -6.375 151 H GLY 25 H GLY 25 -10.112 0.338 -9.863 152 HA2 GLY 25 1HA GLY 25 -11.676 -1.322 -11.603 153 HA3 GLY 25 2HA GLY 25 -10.366 -0.253 -12.081 154 H ASN 26 H ASN 26 -8.304 -1.333 -10.515 155 HA ASN 26 HA ASN 26 -8.093 -4.093 -11.510 156 HB2 ASN 26 1HB ASN 26 -5.545 -3.341 -11.787 157 HB3 ASN 26 2HB ASN 26 -6.722 -3.155 -13.084 158 HD21 ASN 26 1HD2 ASN 26 -4.639 -1.577 -10.890 159 HD22 ASN 26 2HD2 ASN 26 -4.978 0.045 -11.379 160 H PHE 27 H PHE 27 -8.753 -3.207 -8.878 161 HA PHE 27 HA PHE 27 -6.376 -3.439 -7.255 162 HB2 PHE 27 1HB PHE 27 -8.320 -2.014 -6.602 163 HB3 PHE 27 2HB PHE 27 -9.273 -3.479 -6.389 164 HD1 PHE 27 2HD PHE 27 -8.822 -5.000 -4.542 165 HD2 PHE 27 1HD PHE 27 -6.640 -1.376 -5.015 166 HE1 PHE 27 2HE PHE 27 -8.016 -5.186 -2.224 167 HE2 PHE 27 1HE PHE 27 -5.830 -1.557 -2.698 168 HZ PHE 27 HZ PHE 27 -6.519 -3.463 -1.299 169 H ASP 28 H ASP 28 -9.293 -5.398 -7.813 170 HA ASP 28 HA ASP 28 -8.260 -7.610 -6.290 171 HB2 ASP 28 1HB ASP 28 -10.628 -7.334 -6.268 172 HB3 ASP 28 2HB ASP 28 -10.703 -7.263 -8.027 173 H ASN 29 H ASN 29 -8.742 -6.873 -9.721 174 HA ASN 29 HA ASN 29 -8.018 -9.319 -10.814 175 HB2 ASN 29 1HB ASN 29 -7.883 -6.492 -11.789 176 HB3 ASN 29 2HB ASN 29 -7.129 -7.763 -12.746 177 HD21 ASN 29 1HD2 ASN 29 -8.506 -9.606 -13.322 178 HD22 ASN 29 2HD2 ASN 29 -10.177 -9.311 -13.648 179 H PHE 30 H PHE 30 -5.973 -6.606 -9.822 180 HA PHE 30 HA PHE 30 -3.534 -7.692 -10.746 181 HB2 PHE 30 1HB PHE 30 -3.912 -5.290 -10.148 182 HB3 PHE 30 2HB PHE 30 -3.923 -5.762 -8.452 183 HD1 PHE 30 1HD PHE 30 -1.835 -5.615 -11.495 184 HD2 PHE 30 2HD PHE 30 -1.918 -6.094 -7.266 185 HE1 PHE 30 1HE PHE 30 0.615 -5.394 -11.425 186 HE2 PHE 30 2HE PHE 30 0.531 -5.873 -7.189 187 HZ PHE 30 HZ PHE 30 1.801 -5.521 -9.270 188 H VAL 31 H VAL 31 -4.795 -7.463 -7.415 189 HA VAL 31 HA VAL 31 -2.833 -9.097 -6.250 190 HB VAL 31 HB VAL 31 -4.205 -9.185 -4.303 191 HG11 VAL 31 1HG1 VAL 31 -4.110 -6.658 -5.833 192 HG12 VAL 31 2HG1 VAL 31 -5.156 -6.686 -4.412 193 HG13 VAL 31 3HG1 VAL 31 -3.438 -7.055 -4.252 194 HG21 VAL 31 1HG2 VAL 31 -6.590 -8.353 -4.406 195 HG22 VAL 31 2HG2 VAL 31 -6.472 -8.496 -6.160 196 HG23 VAL 31 3HG2 VAL 31 -6.291 -9.927 -5.144 197 H ALA 32 H ALA 32 -5.651 -9.867 -8.083 198 HA ALA 32 HA ALA 32 -6.368 -12.370 -7.196 199 HB1 ALA 32 1HB ALA 32 -7.515 -11.137 -8.992 200 HB2 ALA 32 2HB ALA 32 -6.181 -11.516 -10.082 201 HB3 ALA 32 3HB ALA 32 -7.183 -12.813 -9.430 202 H ASP 33 H ASP 33 -3.606 -11.460 -9.179 203 HA ASP 33 HA ASP 33 -2.677 -14.255 -9.075 204 HB2 ASP 33 1HB ASP 33 -1.755 -12.160 -11.044 205 HB3 ASP 33 2HB ASP 33 -1.476 -13.898 -11.109 206 H LYS 34 H LYS 34 -2.331 -12.452 -6.916 207 HA LYS 34 HA LYS 34 0.559 -12.542 -6.708 208 HB2 LYS 34 1HB LYS 34 -0.967 -9.953 -6.371 209 HB3 LYS 34 2HB LYS 34 0.721 -10.191 -5.937 210 HG2 LYS 34 1HG LYS 34 1.175 -10.756 -8.326 211 HG3 LYS 34 2HG LYS 34 -0.487 -10.284 -8.690 212 HD2 LYS 34 1HD LYS 34 0.563 -8.300 -9.105 213 HD3 LYS 34 2HD LYS 34 0.240 -8.097 -7.382 214 HE2 LYS 34 1HE LYS 34 2.797 -9.335 -8.336 215 HE3 LYS 34 2HE LYS 34 2.607 -7.583 -8.282 216 HZ1 LYS 34 1HZ LYS 34 3.157 -9.372 -6.166 217 HZ2 LYS 34 2HZ LYS 34 1.712 -8.553 -5.847 218 HZ3 LYS 34 3HZ LYS 34 3.130 -7.680 -6.146 219 H ASP 35 H ASP 35 0.939 -13.515 -4.841 220 HA ASP 35 HA ASP 35 -0.983 -13.895 -2.828 221 HB2 ASP 35 1HB ASP 35 1.095 -14.570 -1.446 222 HB3 ASP 35 2HB ASP 35 0.712 -15.507 -2.888 223 H THR 36 H THR 36 1.930 -11.839 -2.818 224 HA THR 36 HA THR 36 0.696 -10.265 -0.653 225 HB THR 36 HB THR 36 3.637 -10.509 -1.315 226 HG1 THR 36 1HG THR 36 2.651 -11.415 1.115 227 HG21 THR 36 1HG2 THR 36 3.196 -8.368 -0.333 228 HG22 THR 36 2HG2 THR 36 3.898 -9.396 0.916 229 HG23 THR 36 3HG2 THR 36 2.162 -9.089 0.900 230 H VAL 37 H VAL 37 0.144 -8.234 -1.088 231 HA VAL 37 HA VAL 37 1.489 -6.835 -3.298 232 HB VAL 37 HB VAL 37 -1.491 -6.798 -2.800 233 HG11 VAL 37 1HG1 VAL 37 -0.028 -4.770 -3.807 234 HG12 VAL 37 2HG1 VAL 37 -0.352 -5.687 -5.280 235 HG13 VAL 37 3HG1 VAL 37 -1.690 -5.112 -4.286 236 HG21 VAL 37 1HG2 VAL 37 -1.726 -8.004 -4.861 237 HG22 VAL 37 2HG2 VAL 37 0.013 -7.943 -5.150 238 HG23 VAL 37 3HG2 VAL 37 -0.626 -8.902 -3.815 239 H LEU 38 H LEU 38 2.370 -5.020 -2.584 240 HA LEU 38 HA LEU 38 1.553 -3.879 -0.054 241 HB2 LEU 38 1HB LEU 38 3.895 -4.007 -0.453 242 HB3 LEU 38 2HB LEU 38 3.734 -3.204 -2.014 243 HG LEU 38 HG LEU 38 2.911 -1.183 -0.616 244 HD11 LEU 38 1HD1 LEU 38 4.594 -1.682 1.581 245 HD12 LEU 38 2HD1 LEU 38 3.515 -3.069 1.446 246 HD13 LEU 38 3HD1 LEU 38 2.847 -1.443 1.583 247 HD21 LEU 38 1HD2 LEU 38 5.261 -1.807 -1.767 248 HD22 LEU 38 2HD2 LEU 38 5.780 -1.619 -0.091 249 HD23 LEU 38 3HD2 LEU 38 4.962 -0.291 -0.915 250 H LEU 39 H LEU 39 0.036 -2.380 0.127 251 HA LEU 39 HA LEU 39 -0.521 -0.651 -2.192 252 HB2 LEU 39 1HB LEU 39 -2.417 -1.330 0.044 253 HB3 LEU 39 2HB LEU 39 -2.791 -0.491 -1.459 254 HG LEU 39 HG LEU 39 -1.788 -3.306 -1.543 255 HD11 LEU 39 1HD1 LEU 39 -3.515 -4.000 -0.316 256 HD12 LEU 39 2HD1 LEU 39 -4.523 -3.535 -1.686 257 HD13 LEU 39 3HD1 LEU 39 -4.286 -2.413 -0.346 258 HD21 LEU 39 1HD2 LEU 39 -2.725 -3.354 -3.647 259 HD22 LEU 39 2HD2 LEU 39 -2.198 -1.674 -3.536 260 HD23 LEU 39 3HD2 LEU 39 -3.893 -2.087 -3.274 261 H GLU 40 H GLU 40 -0.393 1.503 -1.955 262 HA GLU 40 HA GLU 40 -0.046 2.568 0.771 263 HB2 GLU 40 1HB GLU 40 2.112 2.599 -0.271 264 HB3 GLU 40 2HB GLU 40 1.454 3.292 -1.746 265 HG2 GLU 40 1HG GLU 40 0.750 5.244 -0.154 266 HG3 GLU 40 2HG GLU 40 2.030 4.591 0.868 267 H PHE 41 H PHE 41 -1.683 3.850 1.276 268 HA PHE 41 HA PHE 41 -3.262 5.116 -0.807 269 HB2 PHE 41 1HB PHE 41 -3.625 5.123 2.197 270 HB3 PHE 41 2HB PHE 41 -4.782 5.737 1.021 271 HD1 PHE 41 2HD PHE 41 -3.183 2.705 2.355 272 HD2 PHE 41 1HD PHE 41 -6.224 4.276 -0.175 273 HE1 PHE 41 2HE PHE 41 -4.203 0.472 2.201 274 HE2 PHE 41 1HE PHE 41 -7.250 2.045 -0.332 275 HZ PHE 41 HZ PHE 41 -6.239 0.139 0.855 276 H TYR 42 H TYR 42 -3.391 7.271 -1.207 277 HA TYR 42 HA TYR 42 -2.063 9.169 0.547 278 HB2 TYR 42 1HB TYR 42 -0.475 9.955 -0.977 279 HB3 TYR 42 2HB TYR 42 -0.388 8.208 -1.175 280 HD1 TYR 42 2HD TYR 42 -1.699 11.323 -2.677 281 HD2 TYR 42 1HD TYR 42 -0.899 7.184 -3.252 282 HE1 TYR 42 2HE TYR 42 -2.124 11.582 -5.086 283 HE2 TYR 42 1HE TYR 42 -1.320 7.431 -5.663 284 HH TYR 42 HH TYR 42 -1.255 10.141 -7.272 285 H ALA 43 H ALA 43 -2.241 11.453 -0.506 286 HA ALA 43 HA ALA 43 -4.799 11.687 -1.941 287 HB1 ALA 43 1HB ALA 43 -4.914 13.881 -0.393 288 HB2 ALA 43 2HB ALA 43 -5.651 12.340 0.045 289 HB3 ALA 43 3HB ALA 43 -4.075 12.781 0.701 290 HA PRO 44 HA PRO 44 -2.547 14.394 -4.590 291 HB2 PRO 44 1HB PRO 44 -4.640 15.704 -5.717 292 HB3 PRO 44 2HB PRO 44 -4.221 14.036 -6.122 293 HG2 PRO 44 1HG PRO 44 -6.326 15.061 -4.257 294 HG3 PRO 44 2HG PRO 44 -6.427 13.747 -5.443 295 HD2 PRO 44 1HD PRO 44 -6.065 13.296 -2.797 296 HD3 PRO 44 2HD PRO 44 -5.381 12.239 -4.048 297 H TRP 45 H TRP 45 -4.466 15.446 -1.981 298 HA TRP 45 HA TRP 45 -3.663 18.245 -2.358 299 HB2 TRP 45 1HB TRP 45 -5.273 18.601 -0.387 300 HB3 TRP 45 2HB TRP 45 -5.976 18.164 -1.942 301 HD1 TRP 45 HD TRP 45 -7.403 15.992 -2.042 302 HE1 TRP 45 1HE TRP 45 -8.086 14.209 -0.317 303 HE3 TRP 45 3HE TRP 45 -4.308 17.347 1.794 304 HZ2 TRP 45 2HZ TRP 45 -7.404 13.474 2.322 305 HZ3 TRP 45 3HZ TRP 45 -4.385 16.052 3.886 306 HH2 TRP 45 HH TRP 45 -5.902 14.157 4.142 307 H CYS 46 H CYS 46 -2.922 15.434 -0.591 308 HA CYS 46 HA CYS 46 -1.879 16.722 1.749 309 HB2 CYS 46 1HB CYS 46 -2.677 14.229 1.356 310 HB3 CYS 46 2HB CYS 46 -0.989 13.993 0.919 311 HG CYS 46 HG CYS 46 -0.169 15.184 3.460 312 H GLY 47 H GLY 47 -0.462 18.303 0.906 313 HA2 GLY 47 1HA GLY 47 1.558 18.009 -0.927 314 HA3 GLY 47 2HA GLY 47 1.659 19.077 0.465 315 H HIS 48 H HIS 48 1.532 16.926 2.414 316 HA HIS 48 HA HIS 48 4.172 16.481 2.941 317 HB2 HIS 48 1HB HIS 48 1.810 14.710 3.587 318 HB3 HIS 48 2HB HIS 48 3.413 14.490 4.282 319 HD1 HIS 48 1HD HIS 48 0.495 15.490 5.558 320 HD2 HIS 48 2HD HIS 48 4.053 17.587 5.102 321 HE1 HIS 48 1HE HIS 48 0.404 17.346 7.253 322 HE2 HIS 48 2HE HIS 48 2.528 18.652 6.900 323 H CYS 49 H CYS 49 2.005 14.285 1.169 324 HA CYS 49 HA CYS 49 3.544 12.135 0.681 325 HB2 CYS 49 1HB CYS 49 1.284 12.477 -0.264 326 HB3 CYS 49 2HB CYS 49 1.961 13.588 -1.448 327 HG CYS 49 HG CYS 49 3.705 11.442 -2.429 328 H LYS 50 H LYS 50 4.128 15.344 -0.493 329 HA LYS 50 HA LYS 50 5.820 14.864 -2.642 330 HB2 LYS 50 1HB LYS 50 6.598 17.085 -2.380 331 HB3 LYS 50 2HB LYS 50 4.931 17.095 -1.822 332 HG2 LYS 50 1HG LYS 50 5.767 16.916 0.508 333 HG3 LYS 50 2HG LYS 50 7.411 17.071 -0.116 334 HD2 LYS 50 1HD LYS 50 6.924 19.263 -0.990 335 HD3 LYS 50 2HD LYS 50 5.223 19.102 -0.550 336 HE2 LYS 50 1HE LYS 50 5.764 19.110 1.785 337 HE3 LYS 50 2HE LYS 50 7.490 19.036 1.435 338 HZ1 LYS 50 1HZ LYS 50 6.880 21.270 2.007 339 HZ2 LYS 50 2HZ LYS 50 5.663 21.298 0.833 340 HZ3 LYS 50 3HZ LYS 50 7.287 21.227 0.365 341 H GLN 51 H GLN 51 6.711 15.322 0.779 342 HA GLN 51 HA GLN 51 9.458 14.782 0.403 343 HB2 GLN 51 1HB GLN 51 9.670 15.074 2.662 344 HB3 GLN 51 2HB GLN 51 8.112 15.852 2.420 345 HG2 GLN 51 1HG GLN 51 7.221 13.412 2.892 346 HG3 GLN 51 2HG GLN 51 8.766 13.273 3.729 347 HE21 GLN 51 1HE2 GLN 51 8.402 13.475 5.818 348 HE22 GLN 51 2HE2 GLN 51 7.423 14.686 6.566 349 H PHE 52 H PHE 52 6.696 12.746 0.698 350 HA PHE 52 HA PHE 52 8.368 10.391 1.204 351 HB2 PHE 52 1HB PHE 52 6.220 10.855 2.519 352 HB3 PHE 52 2HB PHE 52 5.358 10.432 1.044 353 HD1 PHE 52 1HD PHE 52 8.306 8.987 2.821 354 HD2 PHE 52 2HD PHE 52 4.418 8.351 1.211 355 HE1 PHE 52 1HE PHE 52 8.448 6.607 3.428 356 HE2 PHE 52 2HE PHE 52 4.553 5.971 1.817 357 HZ PHE 52 HZ PHE 52 6.569 5.096 2.927 358 H ALA 53 H ALA 53 7.337 12.120 -1.368 359 HA ALA 53 HA ALA 53 6.322 10.159 -3.130 360 HB1 ALA 53 1HB ALA 53 7.746 12.154 -4.584 361 HB2 ALA 53 2HB ALA 53 6.004 11.952 -4.396 362 HB3 ALA 53 3HB ALA 53 6.910 12.920 -3.233 363 HA PRO 54 HA PRO 54 10.821 9.793 -4.840 364 HB2 PRO 54 1HB PRO 54 12.802 11.005 -3.432 365 HB3 PRO 54 2HB PRO 54 11.903 11.817 -4.720 366 HG2 PRO 54 1HG PRO 54 11.533 11.987 -1.754 367 HG3 PRO 54 2HG PRO 54 11.508 13.286 -2.961 368 HD2 PRO 54 1HD PRO 54 9.247 12.212 -1.929 369 HD3 PRO 54 2HD PRO 54 9.339 12.829 -3.591 370 H GLU 55 H GLU 55 10.287 9.826 -1.381 371 HA GLU 55 HA GLU 55 12.317 7.952 -0.705 372 HB2 GLU 55 1HB GLU 55 11.116 9.578 0.855 373 HB3 GLU 55 2HB GLU 55 9.784 8.431 0.855 374 HG2 GLU 55 1HG GLU 55 10.916 7.795 2.736 375 HG3 GLU 55 2HG GLU 55 11.628 6.720 1.534 376 H TYR 56 H TYR 56 8.895 7.678 -1.515 377 HA TYR 56 HA TYR 56 8.668 4.910 -0.927 378 HB2 TYR 56 1HB TYR 56 6.783 6.626 -1.189 379 HB3 TYR 56 2HB TYR 56 6.970 6.398 -2.925 380 HD1 TYR 56 1HD TYR 56 6.932 4.049 -0.012 381 HD2 TYR 56 2HD TYR 56 5.238 5.130 -3.762 382 HE1 TYR 56 1HE TYR 56 5.455 2.084 0.095 383 HE2 TYR 56 2HE TYR 56 3.756 3.169 -3.665 384 HH TYR 56 HH TYR 56 2.978 1.512 -2.359 385 H GLU 57 H GLU 57 8.897 6.637 -4.041 386 HA GLU 57 HA GLU 57 8.941 4.609 -5.821 387 HB2 GLU 57 1HB GLU 57 10.881 6.929 -5.837 388 HB3 GLU 57 2HB GLU 57 10.431 5.952 -7.228 389 HG2 GLU 57 1HG GLU 57 8.371 6.917 -7.422 390 HG3 GLU 57 2HG GLU 57 8.279 7.326 -5.710 391 H LYS 58 H LYS 58 11.828 5.757 -4.074 392 HA LYS 58 HA LYS 58 13.723 4.043 -5.034 393 HB2 LYS 58 1HB LYS 58 13.358 4.952 -2.174 394 HB3 LYS 58 2HB LYS 58 14.828 4.225 -2.810 395 HG2 LYS 58 1HG LYS 58 15.333 6.077 -4.113 396 HG3 LYS 58 2HG LYS 58 13.676 6.683 -4.067 397 HD2 LYS 58 1HD LYS 58 14.968 8.084 -2.645 398 HD3 LYS 58 2HD LYS 58 13.990 7.052 -1.599 399 HE2 LYS 58 1HE LYS 58 16.143 7.059 -0.644 400 HE3 LYS 58 2HE LYS 58 16.003 5.513 -1.479 401 HZ1 LYS 58 1HZ LYS 58 18.024 7.305 -1.778 402 HZ2 LYS 58 2HZ LYS 58 17.071 7.585 -3.146 403 HZ3 LYS 58 3HZ LYS 58 17.671 6.034 -2.836 404 H ILE 59 H ILE 59 11.490 3.390 -2.343 405 HA ILE 59 HA ILE 59 12.376 0.830 -1.706 406 HB ILE 59 HB ILE 59 9.599 1.995 -1.518 407 HG12 ILE 59 1HG1 ILE 59 11.577 1.496 0.702 408 HG13 ILE 59 2HG1 ILE 59 11.554 3.005 -0.205 409 HG21 ILE 59 1HG2 ILE 59 9.618 0.065 0.352 410 HG22 ILE 59 2HG2 ILE 59 8.998 -0.167 -1.281 411 HG23 ILE 59 3HG2 ILE 59 10.633 -0.690 -0.876 412 HD11 ILE 59 1HD1 ILE 59 9.121 3.200 0.457 413 HD12 ILE 59 2HD1 ILE 59 9.430 1.881 1.587 414 HD13 ILE 59 3HD1 ILE 59 10.311 3.400 1.743 415 H ALA 60 H ALA 60 9.836 1.820 -3.988 416 HA ALA 60 HA ALA 60 8.778 -0.511 -4.823 417 HB1 ALA 60 1HB ALA 60 9.469 0.945 -7.189 418 HB2 ALA 60 2HB ALA 60 7.904 0.792 -6.391 419 HB3 ALA 60 3HB ALA 60 9.019 2.070 -5.907 420 H SER 61 H SER 61 11.729 0.846 -6.309 421 HA SER 61 HA SER 61 12.366 -1.323 -7.910 422 HB2 SER 61 1HB SER 61 13.478 0.879 -8.059 423 HB3 SER 61 2HB SER 61 14.305 0.555 -6.535 424 HG SER 61 HG SER 61 15.675 -0.676 -7.552 425 H THR 62 H THR 62 13.649 -0.594 -4.664 426 HA THR 62 HA THR 62 15.278 -2.728 -4.238 427 HB THR 62 HB THR 62 13.346 -1.542 -2.236 428 HG1 THR 62 1HG THR 62 15.864 -0.815 -3.224 429 HG21 THR 62 1HG2 THR 62 14.216 -2.839 -0.628 430 HG22 THR 62 2HG2 THR 62 15.860 -2.618 -1.227 431 HG23 THR 62 3HG2 THR 62 14.821 -3.853 -1.937 432 H LEU 63 H LEU 63 11.814 -2.711 -3.368 433 HA LEU 63 HA LEU 63 11.726 -5.489 -2.815 434 HB2 LEU 63 1HB LEU 63 9.597 -3.435 -3.341 435 HB3 LEU 63 2HB LEU 63 9.218 -5.122 -3.000 436 HG LEU 63 HG LEU 63 10.800 -3.394 -1.111 437 HD11 LEU 63 1HD1 LEU 63 8.883 -2.223 -0.916 438 HD12 LEU 63 2HD1 LEU 63 8.400 -3.598 0.075 439 HD13 LEU 63 3HD1 LEU 63 7.897 -3.508 -1.612 440 HD21 LEU 63 1HD2 LEU 63 9.131 -5.759 -0.382 441 HD22 LEU 63 2HD2 LEU 63 10.551 -5.092 0.425 442 HD23 LEU 63 3HD2 LEU 63 10.735 -6.002 -1.076 443 H LYS 64 H LYS 64 11.778 -3.750 -5.719 444 HA LYS 64 HA LYS 64 10.167 -5.347 -7.378 445 HB2 LYS 64 1HB LYS 64 11.374 -3.057 -7.811 446 HB3 LYS 64 2HB LYS 64 12.681 -4.077 -8.398 447 HG2 LYS 64 1HG LYS 64 11.147 -5.102 -10.010 448 HG3 LYS 64 2HG LYS 64 9.851 -4.053 -9.430 449 HD2 LYS 64 1HD LYS 64 12.396 -2.792 -10.318 450 HD3 LYS 64 2HD LYS 64 11.301 -3.423 -11.550 451 HE2 LYS 64 1HE LYS 64 9.494 -2.054 -10.666 452 HE3 LYS 64 2HE LYS 64 10.552 -1.456 -9.388 453 HZ1 LYS 64 1HZ LYS 64 10.848 -0.986 -12.304 454 HZ2 LYS 64 2HZ LYS 64 11.991 -0.523 -11.146 455 HZ3 LYS 64 3HZ LYS 64 10.443 0.159 -11.127 456 H ASP 65 H ASP 65 13.729 -5.366 -7.127 457 HA ASP 65 HA ASP 65 13.804 -8.023 -8.299 458 HB2 ASP 65 1HB ASP 65 15.943 -6.053 -7.499 459 HB3 ASP 65 2HB ASP 65 16.319 -7.686 -8.040 460 H ASN 66 H ASN 66 12.608 -7.686 -5.670 461 HA ASN 66 HA ASN 66 14.538 -8.976 -3.891 462 HB2 ASN 66 1HB ASN 66 13.248 -7.085 -2.991 463 HB3 ASN 66 2HB ASN 66 11.748 -7.946 -3.328 464 HD21 ASN 66 1HD2 ASN 66 11.116 -9.617 -2.011 465 HD22 ASN 66 2HD2 ASN 66 11.878 -9.960 -0.499 466 H ASP 67 H ASP 67 13.927 -10.891 -2.695 467 HA ASP 67 HA ASP 67 12.091 -12.618 -4.223 468 HB2 ASP 67 1HB ASP 67 14.691 -13.079 -4.050 469 HB3 ASP 67 2HB ASP 67 14.238 -13.768 -2.494 470 HA PRO 68 HA PRO 68 10.611 -13.909 -4.246 471 HB2 PRO 68 1HB PRO 68 7.941 -13.483 -4.000 472 HB3 PRO 68 2HB PRO 68 8.738 -14.949 -3.417 473 HG2 PRO 68 1HG PRO 68 7.900 -12.514 -1.891 474 HG3 PRO 68 2HG PRO 68 7.734 -14.223 -1.449 475 HD2 PRO 68 1HD PRO 68 9.697 -12.645 -0.456 476 HD3 PRO 68 2HD PRO 68 9.922 -14.383 -0.743 477 HA PRO 69 HA PRO 69 10.180 -10.062 -6.331 478 HB2 PRO 69 1HB PRO 69 8.468 -10.644 -8.356 479 HB3 PRO 69 2HB PRO 69 10.135 -11.228 -8.311 480 HG2 PRO 69 1HG PRO 69 7.610 -12.652 -7.566 481 HG3 PRO 69 2HG PRO 69 9.003 -13.251 -8.486 482 HD2 PRO 69 1HD PRO 69 8.629 -13.827 -5.866 483 HD3 PRO 69 2HD PRO 69 10.243 -13.654 -6.585 484 H ILE 70 H ILE 70 9.160 -8.734 -4.821 485 HA ILE 70 HA ILE 70 6.242 -8.734 -4.715 486 HB ILE 70 HB ILE 70 8.217 -7.071 -3.147 487 HG12 ILE 70 1HG1 ILE 70 6.587 -9.392 -2.126 488 HG13 ILE 70 2HG1 ILE 70 8.199 -9.615 -2.797 489 HG21 ILE 70 1HG2 ILE 70 6.446 -5.843 -2.602 490 HG22 ILE 70 2HG2 ILE 70 5.354 -6.937 -3.450 491 HG23 ILE 70 3HG2 ILE 70 5.799 -7.260 -1.775 492 HD11 ILE 70 1HD1 ILE 70 7.515 -8.976 -0.168 493 HD12 ILE 70 2HD1 ILE 70 9.128 -9.028 -0.880 494 HD13 ILE 70 3HD1 ILE 70 8.226 -7.513 -0.849 495 H ALA 71 H ALA 71 4.966 -7.039 -5.368 496 HA ALA 71 HA ALA 71 6.313 -4.964 -6.971 497 HB1 ALA 71 1HB ALA 71 3.513 -5.291 -7.595 498 HB2 ALA 71 2HB ALA 71 4.921 -5.380 -8.654 499 HB3 ALA 71 3HB ALA 71 4.392 -6.810 -7.768 500 H VAL 72 H VAL 72 6.176 -2.966 -6.208 501 HA VAL 72 HA VAL 72 4.267 -2.354 -4.096 502 HB VAL 72 HB VAL 72 6.474 -0.634 -5.235 503 HG11 VAL 72 1HG1 VAL 72 6.051 0.277 -2.733 504 HG12 VAL 72 2HG1 VAL 72 5.277 0.953 -4.168 505 HG13 VAL 72 3HG1 VAL 72 4.416 -0.219 -3.169 506 HG21 VAL 72 1HG2 VAL 72 6.426 -2.727 -3.136 507 HG22 VAL 72 2HG2 VAL 72 7.719 -2.261 -4.242 508 HG23 VAL 72 3HG2 VAL 72 7.379 -1.278 -2.817 509 H ALA 73 H ALA 73 2.535 -1.060 -4.306 510 HA ALA 73 HA ALA 73 2.257 0.601 -6.698 511 HB1 ALA 73 1HB ALA 73 0.466 -0.445 -7.566 512 HB2 ALA 73 2HB ALA 73 1.094 -1.839 -6.687 513 HB3 ALA 73 3HB ALA 73 -0.192 -0.860 -5.982 514 H LYS 74 H LYS 74 0.409 2.117 -6.526 515 HA LYS 74 HA LYS 74 -0.239 2.752 -3.724 516 HB2 LYS 74 1HB LYS 74 -0.035 5.130 -4.244 517 HB3 LYS 74 2HB LYS 74 1.480 4.293 -4.554 518 HG2 LYS 74 1HG LYS 74 0.798 4.186 -6.974 519 HG3 LYS 74 2HG LYS 74 -0.527 5.277 -6.563 520 HD2 LYS 74 1HD LYS 74 1.019 6.973 -5.848 521 HD3 LYS 74 2HD LYS 74 2.384 5.871 -6.041 522 HE2 LYS 74 1HE LYS 74 2.368 6.035 -8.324 523 HE3 LYS 74 2HE LYS 74 0.641 6.379 -8.396 524 HZ1 LYS 74 1HZ LYS 74 2.747 8.269 -7.492 525 HZ2 LYS 74 2HZ LYS 74 1.089 8.600 -7.546 526 HZ3 LYS 74 3HZ LYS 74 1.943 8.321 -8.980 527 H ILE 75 H ILE 75 -2.181 4.106 -3.473 528 HA ILE 75 HA ILE 75 -4.057 4.017 -5.710 529 HB ILE 75 HB ILE 75 -4.694 2.832 -3.006 530 HG12 ILE 75 1HG1 ILE 75 -4.766 1.386 -5.640 531 HG13 ILE 75 2HG1 ILE 75 -3.268 1.510 -4.724 532 HG21 ILE 75 1HG2 ILE 75 -6.586 2.434 -5.194 533 HG22 ILE 75 2HG2 ILE 75 -6.871 2.891 -3.516 534 HG23 ILE 75 3HG2 ILE 75 -6.417 4.118 -4.698 535 HD11 ILE 75 1HD1 ILE 75 -4.045 0.171 -3.024 536 HD12 ILE 75 2HD1 ILE 75 -5.738 0.497 -3.397 537 HD13 ILE 75 3HD1 ILE 75 -4.794 -0.563 -4.442 538 H ASP 76 H ASP 76 -5.445 5.704 -5.754 539 HA ASP 76 HA ASP 76 -5.070 7.781 -3.760 540 HB2 ASP 76 1HB ASP 76 -6.600 7.735 -6.369 541 HB3 ASP 76 2HB ASP 76 -6.485 9.143 -5.316 542 H ALA 77 H ALA 77 -6.137 6.962 -1.952 543 HA ALA 77 HA ALA 77 -8.556 5.752 -1.712 544 HB1 ALA 77 1HB ALA 77 -6.804 7.114 0.017 545 HB2 ALA 77 2HB ALA 77 -8.418 7.758 0.323 546 HB3 ALA 77 3HB ALA 77 -8.123 6.023 0.447 547 H THR 78 H THR 78 -7.972 9.182 -2.269 548 HA THR 78 HA THR 78 -10.547 10.164 -1.853 549 HB THR 78 HB THR 78 -9.925 12.010 -3.392 550 HG1 THR 78 1HG THR 78 -8.013 11.923 -4.506 551 HG21 THR 78 1HG2 THR 78 -9.233 12.181 -1.092 552 HG22 THR 78 2HG2 THR 78 -7.921 12.765 -2.116 553 HG23 THR 78 3HG2 THR 78 -7.829 11.159 -1.394 554 H SER 79 H SER 79 -9.117 8.627 -4.684 555 HA SER 79 HA SER 79 -11.482 9.059 -6.294 556 HB2 SER 79 1HB SER 79 -9.020 8.935 -7.114 557 HB3 SER 79 2HB SER 79 -9.242 7.188 -7.022 558 HG SER 79 HG SER 79 -9.885 8.680 -9.018 559 H ALA 80 H ALA 80 -9.987 6.444 -4.484 560 HA ALA 80 HA ALA 80 -12.148 4.624 -5.269 561 HB1 ALA 80 1HB ALA 80 -10.213 3.452 -3.489 562 HB2 ALA 80 2HB ALA 80 -10.639 2.999 -5.140 563 HB3 ALA 80 3HB ALA 80 -9.414 4.235 -4.853 564 H SER 81 H SER 81 -13.900 5.140 -4.054 565 HA SER 81 HA SER 81 -13.652 5.726 -1.235 566 HB2 SER 81 1HB SER 81 -15.992 6.189 -1.280 567 HB3 SER 81 2HB SER 81 -15.339 6.811 -2.795 568 HG SER 81 HG SER 81 -15.964 4.467 -3.470 569 H MET 82 H MET 82 -14.185 2.968 -3.204 570 HA MET 82 HA MET 82 -15.518 1.402 -1.190 571 HB2 MET 82 1HB MET 82 -15.876 0.999 -3.599 572 HB3 MET 82 2HB MET 82 -14.190 0.527 -3.762 573 HG2 MET 82 1HG MET 82 -14.639 -1.295 -2.103 574 HG3 MET 82 2HG MET 82 -16.348 -0.885 -2.221 575 HE1 MET 82 1HE MET 82 -13.192 -1.644 -4.173 576 HE2 MET 82 2HE MET 82 -13.720 -2.555 -5.588 577 HE3 MET 82 3HE MET 82 -13.937 -0.805 -5.534 578 H LEU 83 H LEU 83 -12.306 1.221 -2.736 579 HA LEU 83 HA LEU 83 -11.269 -0.726 -0.991 580 HB2 LEU 83 1HB LEU 83 -9.797 1.384 -2.564 581 HB3 LEU 83 2HB LEU 83 -9.075 -0.054 -1.846 582 HG LEU 83 HG LEU 83 -11.197 -0.170 -3.980 583 HD11 LEU 83 1HD1 LEU 83 -9.324 -0.657 -5.531 584 HD12 LEU 83 2HD1 LEU 83 -8.197 -0.175 -4.264 585 HD13 LEU 83 3HD1 LEU 83 -9.330 1.001 -4.931 586 HD21 LEU 83 1HD2 LEU 83 -10.793 -2.154 -2.488 587 HD22 LEU 83 2HD2 LEU 83 -9.162 -2.230 -3.154 588 HD23 LEU 83 3HD2 LEU 83 -10.558 -2.444 -4.211 589 H ALA 84 H ALA 84 -11.318 2.789 -0.847 590 HA ALA 84 HA ALA 84 -9.504 3.173 1.246 591 HB1 ALA 84 1HB ALA 84 -11.960 4.815 0.643 592 HB2 ALA 84 2HB ALA 84 -10.542 5.335 1.553 593 HB3 ALA 84 3HB ALA 84 -10.403 4.981 -0.169 594 H SER 85 H SER 85 -13.023 2.679 1.332 595 HA SER 85 HA SER 85 -13.208 2.814 4.168 596 HB2 SER 85 1HB SER 85 -15.112 3.223 2.581 597 HB3 SER 85 2HB SER 85 -15.150 1.489 2.263 598 HG SER 85 HG SER 85 -16.434 1.457 3.928 599 H LYS 86 H LYS 86 -12.279 0.360 1.963 600 HA LYS 86 HA LYS 86 -12.976 -1.945 3.409 601 HB2 LYS 86 1HB LYS 86 -11.969 -1.600 0.988 602 HB3 LYS 86 2HB LYS 86 -10.446 -1.866 1.824 603 HG2 LYS 86 1HG LYS 86 -11.341 -4.009 2.680 604 HG3 LYS 86 2HG LYS 86 -12.792 -3.748 1.709 605 HD2 LYS 86 1HD LYS 86 -11.525 -3.824 -0.322 606 HD3 LYS 86 2HD LYS 86 -10.002 -3.843 0.570 607 HE2 LYS 86 1HE LYS 86 -10.312 -6.071 -0.033 608 HE3 LYS 86 2HE LYS 86 -10.891 -6.009 1.631 609 HZ1 LYS 86 1HZ LYS 86 -12.813 -5.585 -0.543 610 HZ2 LYS 86 2HZ LYS 86 -13.052 -6.263 0.987 611 HZ3 LYS 86 3HZ LYS 86 -12.290 -7.162 -0.226 612 H PHE 87 H PHE 87 -9.844 -0.242 3.264 613 HA PHE 87 HA PHE 87 -8.974 -1.666 5.656 614 HB2 PHE 87 1HB PHE 87 -7.415 0.309 3.980 615 HB3 PHE 87 2HB PHE 87 -6.770 -0.808 5.179 616 HD1 PHE 87 2HD PHE 87 -8.562 -0.699 1.928 617 HD2 PHE 87 1HD PHE 87 -6.043 -2.919 4.545 618 HE1 PHE 87 2HE PHE 87 -8.224 -2.384 0.168 619 HE2 PHE 87 1HE PHE 87 -5.700 -4.607 2.788 620 HZ PHE 87 HZ PHE 87 -6.792 -4.341 0.596 621 H ASP 88 H ASP 88 -11.060 0.444 5.694 622 HA ASP 88 HA ASP 88 -11.585 2.420 6.753 623 HB2 ASP 88 1HB ASP 88 -11.511 0.693 8.546 624 HB3 ASP 88 2HB ASP 88 -9.841 1.149 8.873 625 H VAL 89 H VAL 89 -9.621 3.020 5.002 626 HA VAL 89 HA VAL 89 -7.317 4.199 6.177 627 HB VAL 89 HB VAL 89 -8.573 4.759 3.487 628 HG11 VAL 89 1HG1 VAL 89 -5.674 5.114 3.999 629 HG12 VAL 89 2HG1 VAL 89 -6.750 5.993 2.911 630 HG13 VAL 89 3HG1 VAL 89 -6.771 6.336 4.642 631 HG21 VAL 89 1HG2 VAL 89 -7.136 2.484 4.511 632 HG22 VAL 89 2HG2 VAL 89 -7.907 2.708 2.941 633 HG23 VAL 89 3HG2 VAL 89 -6.245 3.241 3.191 634 H SER 90 H SER 90 -7.513 5.808 7.604 635 HA SER 90 HA SER 90 -9.197 8.107 6.855 636 HB2 SER 90 1HB SER 90 -10.248 6.898 8.709 637 HB3 SER 90 2HB SER 90 -8.754 7.004 9.641 638 HG SER 90 HG SER 90 -10.403 9.153 8.795 639 H GLY 91 H GLY 91 -6.555 7.959 6.095 640 HA2 GLY 91 1HA GLY 91 -5.495 10.368 6.958 641 HA3 GLY 91 2HA GLY 91 -4.772 9.131 7.976 642 H TYR 92 H TYR 92 -3.128 10.625 6.445 643 HA TYR 92 HA TYR 92 -1.888 8.639 4.793 644 HB2 TYR 92 1HB TYR 92 -2.471 11.168 3.312 645 HB3 TYR 92 2HB TYR 92 -2.128 9.560 2.686 646 HD1 TYR 92 2HD TYR 92 -4.736 11.658 4.260 647 HD2 TYR 92 1HD TYR 92 -3.879 8.036 2.198 648 HE1 TYR 92 2HE TYR 92 -7.145 11.274 3.946 649 HE2 TYR 92 1HE TYR 92 -6.285 7.642 1.878 650 HH TYR 92 HH TYR 92 -8.633 9.132 3.571 651 HA PRO 93 HA PRO 93 -0.287 8.791 3.091 652 HB2 PRO 93 1HB PRO 93 2.176 7.714 3.473 653 HB3 PRO 93 2HB PRO 93 1.904 9.177 2.518 654 HG2 PRO 93 1HG PRO 93 2.830 8.910 5.352 655 HG3 PRO 93 2HG PRO 93 3.427 9.987 4.077 656 HD2 PRO 93 1HD PRO 93 1.736 10.825 6.019 657 HD3 PRO 93 2HD PRO 93 1.712 11.498 4.376 658 H THR 94 H THR 94 -0.744 6.616 3.184 659 HA THR 94 HA THR 94 -0.417 5.272 5.780 660 HB THR 94 HB THR 94 -2.929 5.345 4.103 661 HG1 THR 94 1HG THR 94 -2.829 7.050 5.546 662 HG21 THR 94 1HG2 THR 94 -3.836 3.827 5.910 663 HG22 THR 94 2HG2 THR 94 -2.165 3.549 6.399 664 HG23 THR 94 3HG2 THR 94 -2.702 3.080 4.786 665 H ILE 95 H ILE 95 0.800 3.533 5.488 666 HA ILE 95 HA ILE 95 0.751 2.171 2.889 667 HB ILE 95 HB ILE 95 2.748 1.891 5.138 668 HG12 ILE 95 1HG1 ILE 95 3.182 3.239 2.477 669 HG13 ILE 95 2HG1 ILE 95 2.636 4.127 3.895 670 HG21 ILE 95 1HG2 ILE 95 3.708 1.072 2.573 671 HG22 ILE 95 2HG2 ILE 95 3.566 0.135 4.059 672 HG23 ILE 95 3HG2 ILE 95 2.208 0.221 2.939 673 HD11 ILE 95 1HD1 ILE 95 5.277 2.901 3.321 674 HD12 ILE 95 2HD1 ILE 95 4.883 4.470 4.025 675 HD13 ILE 95 3HD1 ILE 95 4.738 3.005 4.996 676 H LYS 96 H LYS 96 0.240 0.037 2.679 677 HA LYS 96 HA LYS 96 -0.314 -1.540 5.074 678 HB2 LYS 96 1HB LYS 96 -2.350 -1.261 2.861 679 HB3 LYS 96 2HB LYS 96 -2.529 -2.163 4.360 680 HG2 LYS 96 1HG LYS 96 -2.065 0.232 5.406 681 HG3 LYS 96 2HG LYS 96 -2.733 0.748 3.856 682 HD2 LYS 96 1HD LYS 96 -4.735 -0.573 4.254 683 HD3 LYS 96 2HD LYS 96 -4.060 -1.172 5.772 684 HE2 LYS 96 1HE LYS 96 -4.408 1.765 5.269 685 HE3 LYS 96 2HE LYS 96 -5.743 0.775 5.857 686 HZ1 LYS 96 1HZ LYS 96 -3.367 0.305 7.350 687 HZ2 LYS 96 2HZ LYS 96 -4.896 0.786 7.892 688 HZ3 LYS 96 3HZ LYS 96 -3.779 1.946 7.374 689 H ILE 97 H ILE 97 -1.135 -3.828 4.259 690 HA ILE 97 HA ILE 97 0.253 -4.623 1.814 691 HB ILE 97 HB ILE 97 0.795 -5.892 4.501 692 HG12 ILE 97 1HG1 ILE 97 2.876 -4.741 2.676 693 HG13 ILE 97 2HG1 ILE 97 1.950 -3.667 3.719 694 HG21 ILE 97 1HG2 ILE 97 2.052 -7.543 3.427 695 HG22 ILE 97 2HG2 ILE 97 0.590 -7.412 2.450 696 HG23 ILE 97 3HG2 ILE 97 2.086 -6.655 1.904 697 HD11 ILE 97 1HD1 ILE 97 2.864 -5.842 5.288 698 HD12 ILE 97 2HD1 ILE 97 4.224 -5.216 4.355 699 HD13 ILE 97 3HD1 ILE 97 3.299 -4.136 5.399 700 H LEU 98 H LEU 98 -0.791 -6.178 0.716 701 HA LEU 98 HA LEU 98 -3.156 -7.367 1.988 702 HB2 LEU 98 1HB LEU 98 -3.397 -5.994 -0.101 703 HB3 LEU 98 2HB LEU 98 -2.499 -7.251 -0.948 704 HG LEU 98 HG LEU 98 -4.370 -8.825 -0.086 705 HD11 LEU 98 1HD1 LEU 98 -6.414 -7.907 0.505 706 HD12 LEU 98 2HD1 LEU 98 -5.997 -6.315 -0.127 707 HD13 LEU 98 3HD1 LEU 98 -5.263 -6.889 1.371 708 HD21 LEU 98 1HD2 LEU 98 -5.443 -8.624 -2.122 709 HD22 LEU 98 2HD2 LEU 98 -3.882 -7.874 -2.453 710 HD23 LEU 98 3HD2 LEU 98 -5.297 -6.866 -2.145 711 H LYS 99 H LYS 99 -3.039 -9.412 2.605 712 HA LYS 99 HA LYS 99 -1.149 -11.198 1.218 713 HB2 LYS 99 1HB LYS 99 -0.779 -10.587 3.710 714 HB3 LYS 99 2HB LYS 99 -2.136 -11.663 4.018 715 HG2 LYS 99 1HG LYS 99 -0.097 -12.877 4.319 716 HG3 LYS 99 2HG LYS 99 -0.904 -13.476 2.868 717 HD2 LYS 99 1HD LYS 99 0.587 -12.237 1.454 718 HD3 LYS 99 2HD LYS 99 1.301 -11.419 2.846 719 HE2 LYS 99 1HE LYS 99 2.870 -13.046 2.467 720 HE3 LYS 99 2HE LYS 99 1.821 -13.874 3.617 721 HZ1 LYS 99 1HZ LYS 99 2.099 -15.424 1.948 722 HZ2 LYS 99 2HZ LYS 99 2.055 -14.276 0.707 723 HZ3 LYS 99 3HZ LYS 99 0.631 -14.706 1.511 724 H LYS 100 H LYS 100 -2.382 -12.265 -0.225 725 HA LYS 100 HA LYS 100 -4.060 -13.535 -1.110 726 HB2 LYS 100 1HB LYS 100 -3.942 -14.730 1.666 727 HB3 LYS 100 2HB LYS 100 -4.722 -15.478 0.279 728 HG2 LYS 100 1HG LYS 100 -1.885 -14.706 -0.038 729 HG3 LYS 100 2HG LYS 100 -2.238 -16.064 1.034 730 HD2 LYS 100 1HD LYS 100 -1.828 -16.893 -1.194 731 HD3 LYS 100 2HD LYS 100 -3.533 -17.116 -0.796 732 HE2 LYS 100 1HE LYS 100 -2.751 -14.603 -2.168 733 HE3 LYS 100 2HE LYS 100 -2.737 -16.089 -3.115 734 HZ1 LYS 100 1HZ LYS 100 -4.927 -14.517 -2.469 735 HZ2 LYS 100 2HZ LYS 100 -5.106 -15.951 -1.590 736 HZ3 LYS 100 3HZ LYS 100 -4.930 -16.006 -3.272 737 H GLY 101 H GLY 101 -4.838 -11.033 0.284 738 HA2 GLY 101 1HA GLY 101 -7.055 -10.131 0.141 739 HA3 GLY 101 2HA GLY 101 -7.685 -11.706 0.602 740 H GLN 102 H GLN 102 -4.999 -10.884 2.450 741 HA GLN 102 HA GLN 102 -6.749 -10.115 4.681 742 HB2 GLN 102 1HB GLN 102 -4.034 -11.428 4.612 743 HB3 GLN 102 2HB GLN 102 -4.756 -10.810 6.091 744 HG2 GLN 102 1HG GLN 102 -6.528 -12.370 5.991 745 HG3 GLN 102 2HG GLN 102 -6.117 -12.833 4.340 746 HE21 GLN 102 1HE2 GLN 102 -4.237 -14.083 3.984 747 HE22 GLN 102 2HE2 GLN 102 -3.560 -15.049 5.245 748 H ALA 103 H ALA 103 -6.750 -8.047 5.228 749 HA ALA 103 HA ALA 103 -4.743 -6.230 4.274 750 HB1 ALA 103 1HB ALA 103 -6.102 -4.597 5.746 751 HB2 ALA 103 2HB ALA 103 -6.859 -5.282 4.307 752 HB3 ALA 103 3HB ALA 103 -7.238 -5.938 5.900 753 H VAL 104 H VAL 104 -2.917 -5.682 5.259 754 HA VAL 104 HA VAL 104 -2.683 -6.174 8.158 755 HB VAL 104 HB VAL 104 -0.509 -6.376 6.069 756 HG11 VAL 104 1HG1 VAL 104 -0.167 -7.227 8.905 757 HG12 VAL 104 2HG1 VAL 104 1.042 -6.708 7.730 758 HG13 VAL 104 3HG1 VAL 104 -0.011 -5.519 8.497 759 HG21 VAL 104 1HG2 VAL 104 -1.771 -8.324 5.856 760 HG22 VAL 104 2HG2 VAL 104 -0.489 -8.787 6.976 761 HG23 VAL 104 3HG2 VAL 104 -2.100 -8.414 7.587 762 H ASP 105 H ASP 105 -3.185 -4.105 8.824 763 HA ASP 105 HA ASP 105 -2.267 -1.723 7.694 764 HB2 ASP 105 1HB ASP 105 -3.092 -0.641 9.602 765 HB3 ASP 105 2HB ASP 105 -4.074 -2.100 9.498 766 H TYR 106 H TYR 106 -0.430 -0.564 7.855 767 HA TYR 106 HA TYR 106 1.726 -1.698 9.511 768 HB2 TYR 106 1HB TYR 106 2.252 -1.873 7.160 769 HB3 TYR 106 2HB TYR 106 1.869 -0.175 6.904 770 HD1 TYR 106 2HD TYR 106 4.262 -2.475 8.548 771 HD2 TYR 106 1HD TYR 106 3.496 1.504 7.250 772 HE1 TYR 106 2HE TYR 106 6.611 -1.888 8.979 773 HE2 TYR 106 1HE TYR 106 5.843 2.102 7.677 774 HH TYR 106 HH TYR 106 7.922 1.239 8.065 775 H ASP 107 H ASP 107 1.260 -0.491 11.358 776 HA ASP 107 HA ASP 107 1.366 2.426 11.131 777 HB2 ASP 107 1HB ASP 107 -0.443 1.312 12.477 778 HB3 ASP 107 2HB ASP 107 0.805 0.770 13.596 779 H GLY 108 H GLY 108 3.767 1.353 10.529 780 HA2 GLY 108 1HA GLY 108 5.361 1.714 12.991 781 HA3 GLY 108 2HA GLY 108 5.862 0.715 11.635 782 H SER 109 H SER 109 7.843 1.956 11.686 783 HA SER 109 HA SER 109 7.759 4.760 11.045 784 HB2 SER 109 1HB SER 109 9.911 2.731 11.482 785 HB3 SER 109 2HB SER 109 10.317 4.222 10.632 786 HG SER 109 HG SER 109 9.043 5.134 12.598 787 H ARG 110 H ARG 110 7.417 5.551 9.088 788 HA ARG 110 HA ARG 110 7.391 3.898 6.761 789 HB2 ARG 110 1HB ARG 110 7.166 6.898 7.063 790 HB3 ARG 110 2HB ARG 110 6.896 6.022 5.563 791 HG2 ARG 110 1HG ARG 110 5.010 4.866 6.530 792 HG3 ARG 110 2HG ARG 110 5.314 5.626 8.093 793 HD2 ARG 110 1HD ARG 110 5.123 7.833 6.647 794 HD3 ARG 110 2HD ARG 110 4.172 6.779 5.601 795 HE ARG 110 HE ARG 110 3.340 7.907 8.056 796 HH11 ARG 110 2HH1 ARG 110 3.131 4.980 6.183 797 HH12 ARG 110 1HH1 ARG 110 1.609 4.502 6.859 798 HH21 ARG 110 2HH2 ARG 110 1.337 7.289 8.953 799 HH22 ARG 110 1HH2 ARG 110 0.589 5.816 8.434 800 H THR 111 H THR 111 9.670 3.182 7.024 801 HA THR 111 HA THR 111 11.481 5.042 5.633 802 HB THR 111 HB THR 111 13.368 3.928 6.896 803 HG1 THR 111 1HG THR 111 12.896 2.643 8.583 804 HG21 THR 111 1HG2 THR 111 12.003 6.156 7.471 805 HG22 THR 111 2HG2 THR 111 13.338 5.576 8.467 806 HG23 THR 111 3HG2 THR 111 11.673 5.242 8.942 807 H GLN 112 H GLN 112 12.891 4.145 4.129 808 HA GLN 112 HA GLN 112 12.009 2.027 2.603 809 HB2 GLN 112 1HB GLN 112 13.746 3.808 2.022 810 HB3 GLN 112 2HB GLN 112 14.921 2.771 2.820 811 HG2 GLN 112 1HG GLN 112 13.936 0.955 1.202 812 HG3 GLN 112 2HG GLN 112 13.460 2.369 0.263 813 HE21 GLN 112 1HE2 GLN 112 15.086 3.768 -0.519 814 HE22 GLN 112 2HE2 GLN 112 16.710 3.218 -0.727 815 H GLU 113 H GLU 113 13.970 1.984 5.471 816 HA GLU 113 HA GLU 113 14.915 -0.703 5.134 817 HB2 GLU 113 1HB GLU 113 14.875 1.162 7.507 818 HB3 GLU 113 2HB GLU 113 15.563 -0.455 7.564 819 HG2 GLU 113 1HG GLU 113 16.896 0.437 5.461 820 HG3 GLU 113 2HG GLU 113 16.563 1.991 6.223 821 H GLU 114 H GLU 114 12.674 0.752 7.503 822 HA GLU 114 HA GLU 114 11.697 -1.671 8.506 823 HB2 GLU 114 1HB GLU 114 10.271 0.992 8.377 824 HB3 GLU 114 2HB GLU 114 9.852 -0.352 9.430 825 HG2 GLU 114 1HG GLU 114 12.602 0.772 9.568 826 HG3 GLU 114 2HG GLU 114 11.273 1.668 10.302 827 H ILE 115 H ILE 115 10.207 0.529 6.130 828 HA ILE 115 HA ILE 115 7.938 -0.880 5.523 829 HB ILE 115 HB ILE 115 9.683 0.590 3.543 830 HG12 ILE 115 1HG1 ILE 115 7.253 1.676 4.950 831 HG13 ILE 115 2HG1 ILE 115 8.854 1.795 5.672 832 HG21 ILE 115 1HG2 ILE 115 7.890 -0.959 2.634 833 HG22 ILE 115 2HG2 ILE 115 6.718 0.136 3.366 834 HG23 ILE 115 3HG2 ILE 115 7.814 0.725 2.116 835 HD11 ILE 115 1HD1 ILE 115 8.040 2.920 3.003 836 HD12 ILE 115 2HD1 ILE 115 8.251 3.833 4.497 837 HD13 ILE 115 3HD1 ILE 115 9.637 3.050 3.738 838 H VAL 116 H VAL 116 11.121 -1.261 3.972 839 HA VAL 116 HA VAL 116 10.348 -3.398 2.289 840 HB VAL 116 HB VAL 116 13.086 -2.600 3.285 841 HG11 VAL 116 1HG1 VAL 116 14.027 -4.001 1.594 842 HG12 VAL 116 2HG1 VAL 116 12.918 -4.986 2.550 843 HG13 VAL 116 3HG1 VAL 116 12.431 -4.400 0.959 844 HG21 VAL 116 1HG2 VAL 116 13.320 -1.337 1.345 845 HG22 VAL 116 2HG2 VAL 116 11.994 -2.164 0.528 846 HG23 VAL 116 3HG2 VAL 116 11.653 -1.022 1.828 847 H ALA 117 H ALA 117 11.549 -3.248 5.574 848 HA ALA 117 HA ALA 117 12.252 -5.961 5.876 849 HB1 ALA 117 1HB ALA 117 12.289 -3.675 7.472 850 HB2 ALA 117 2HB ALA 117 11.249 -4.817 8.324 851 HB3 ALA 117 3HB ALA 117 12.895 -5.278 7.890 852 H LYS 118 H LYS 118 9.308 -4.251 6.950 853 HA LYS 118 HA LYS 118 7.896 -6.470 7.840 854 HB2 LYS 118 1HB LYS 118 7.061 -4.314 8.380 855 HB3 LYS 118 2HB LYS 118 6.971 -3.844 6.687 856 HG2 LYS 118 1HG LYS 118 4.757 -4.243 7.461 857 HG3 LYS 118 2HG LYS 118 5.196 -5.563 6.375 858 HD2 LYS 118 1HD LYS 118 4.236 -6.710 8.131 859 HD3 LYS 118 2HD LYS 118 5.943 -6.747 8.581 860 HE2 LYS 118 1HE LYS 118 5.664 -5.064 10.193 861 HE3 LYS 118 2HE LYS 118 4.102 -4.575 9.537 862 HZ1 LYS 118 1HZ LYS 118 4.760 -6.801 11.307 863 HZ2 LYS 118 2HZ LYS 118 3.530 -7.058 10.175 864 HZ3 LYS 118 3HZ LYS 118 3.399 -5.796 11.294 865 H VAL 119 H VAL 119 7.365 -4.814 4.722 866 HA VAL 119 HA VAL 119 5.662 -6.516 3.498 867 HB VAL 119 HB VAL 119 8.064 -5.201 2.224 868 HG11 VAL 119 1HG1 VAL 119 7.075 -7.108 0.914 869 HG12 VAL 119 2HG1 VAL 119 5.579 -6.175 0.831 870 HG13 VAL 119 3HG1 VAL 119 7.055 -5.543 0.102 871 HG21 VAL 119 1HG2 VAL 119 6.931 -3.326 2.616 872 HG22 VAL 119 2HG2 VAL 119 5.718 -3.902 1.473 873 HG23 VAL 119 3HG2 VAL 119 5.526 -4.221 3.197 874 H ARG 120 H ARG 120 9.210 -6.866 3.352 875 HA ARG 120 HA ARG 120 9.208 -9.326 1.999 876 HB2 ARG 120 1HB ARG 120 11.266 -8.117 3.853 877 HB3 ARG 120 2HB ARG 120 11.544 -9.542 2.860 878 HG2 ARG 120 1HG ARG 120 11.264 -8.259 0.847 879 HG3 ARG 120 2HG ARG 120 10.805 -6.832 1.779 880 HD2 ARG 120 1HD ARG 120 13.056 -6.487 1.217 881 HD3 ARG 120 2HD ARG 120 13.085 -7.028 2.895 882 HE ARG 120 HE ARG 120 13.370 -9.293 1.333 883 HH11 ARG 120 2HH1 ARG 120 15.102 -6.324 1.885 884 HH12 ARG 120 1HH1 ARG 120 16.654 -7.013 1.546 885 HH21 ARG 120 2HH2 ARG 120 15.408 -10.213 0.884 886 HH22 ARG 120 1HH2 ARG 120 16.827 -9.226 0.975 887 H GLU 121 H GLU 121 9.030 -8.528 5.416 888 HA GLU 121 HA GLU 121 9.484 -11.123 6.428 889 HB2 GLU 121 1HB GLU 121 9.687 -9.343 7.964 890 HB3 GLU 121 2HB GLU 121 8.112 -8.687 7.540 891 HG2 GLU 121 1HG GLU 121 6.979 -10.186 8.836 892 HG3 GLU 121 2HG GLU 121 8.238 -11.413 8.712 893 H VAL 122 H VAL 122 6.530 -9.404 5.511 894 HA VAL 122 HA VAL 122 4.747 -11.457 6.345 895 HB VAL 122 HB VAL 122 4.265 -9.299 4.287 896 HG11 VAL 122 1HG1 VAL 122 2.091 -9.881 4.257 897 HG12 VAL 122 2HG1 VAL 122 2.701 -11.447 4.795 898 HG13 VAL 122 3HG1 VAL 122 2.070 -10.294 5.972 899 HG21 VAL 122 1HG2 VAL 122 4.930 -8.189 6.264 900 HG22 VAL 122 2HG2 VAL 122 3.167 -8.134 6.252 901 HG23 VAL 122 3HG2 VAL 122 4.006 -9.292 7.284 902 H SER 123 H SER 123 6.249 -10.621 3.254 903 HA SER 123 HA SER 123 4.901 -12.286 1.534 904 HB2 SER 123 1HB SER 123 6.750 -12.120 0.071 905 HB3 SER 123 2HB SER 123 6.807 -10.641 1.029 906 HG SER 123 HG SER 123 8.676 -11.239 1.757 907 H GLN 124 H GLN 124 7.070 -13.141 4.079 908 HA GLN 124 HA GLN 124 7.826 -15.710 3.172 909 HB2 GLN 124 1HB GLN 124 7.563 -14.786 6.036 910 HB3 GLN 124 2HB GLN 124 8.543 -16.120 5.443 911 HG2 GLN 124 1HG GLN 124 8.959 -13.202 4.837 912 HG3 GLN 124 2HG GLN 124 9.916 -14.189 5.940 913 HE21 GLN 124 1HE2 GLN 124 10.839 -12.717 3.657 914 HE22 GLN 124 2HE2 GLN 124 11.534 -13.861 2.566 915 HA PRO 125 HA PRO 125 4.110 -18.003 3.744 916 HB2 PRO 125 1HB PRO 125 5.182 -20.488 3.945 917 HB3 PRO 125 2HB PRO 125 5.078 -19.608 2.416 918 HG2 PRO 125 1HG PRO 125 7.410 -19.920 4.266 919 HG3 PRO 125 2HG PRO 125 7.367 -20.011 2.496 920 HD2 PRO 125 1HD PRO 125 8.203 -17.802 3.821 921 HD3 PRO 125 2HD PRO 125 7.375 -17.719 2.253 922 H ASP 126 H ASP 126 6.769 -18.250 6.011 923 HA ASP 126 HA ASP 126 5.283 -19.692 7.999 924 HB2 ASP 126 1HB ASP 126 7.235 -19.062 9.476 925 HB3 ASP 126 2HB ASP 126 7.652 -19.971 8.026 926 H TRP 127 H TRP 127 6.113 -16.317 7.405 927 HA TRP 127 HA TRP 127 5.322 -15.166 9.788 928 HB2 TRP 127 1HB TRP 127 6.380 -13.790 8.162 929 HB3 TRP 127 2HB TRP 127 5.149 -14.146 6.954 930 HD1 TRP 127 HD TRP 127 5.997 -11.718 9.675 931 HE1 TRP 127 1HE TRP 127 4.114 -9.979 9.910 932 HE3 TRP 127 3HE TRP 127 2.449 -13.963 6.759 933 HZ2 TRP 127 2HZ TRP 127 1.475 -9.608 8.983 934 HZ3 TRP 127 3HZ TRP 127 0.271 -12.851 6.484 935 HH2 TRP 127 HH TRP 127 -0.204 -10.719 7.575 936 H THR 128 H THR 128 3.411 -14.488 10.671 937 HA THR 128 HA THR 128 0.942 -15.201 9.232 938 HB THR 128 HB THR 128 -0.049 -15.826 11.454 939 HG1 THR 128 1HG THR 128 1.631 -14.785 12.717 940 HG21 THR 128 1HG2 THR 128 2.277 -17.436 10.402 941 HG22 THR 128 2HG2 THR 128 0.579 -17.583 9.947 942 HG23 THR 128 3HG2 THR 128 1.102 -18.047 11.566 943 HA PRO 129 HA PRO 129 -0.401 -11.115 10.156 944 HB2 PRO 129 1HB PRO 129 -3.088 -11.488 10.061 945 HB3 PRO 129 2HB PRO 129 -2.069 -11.470 8.617 946 HG2 PRO 129 1HG PRO 129 -3.156 -13.807 10.140 947 HG3 PRO 129 2HG PRO 129 -3.064 -13.559 8.386 948 HD2 PRO 129 1HD PRO 129 -1.288 -15.094 9.737 949 HD3 PRO 129 2HD PRO 129 -0.842 -14.165 8.292 950 HA PRO 130 HA PRO 130 -1.140 -10.967 14.509 951 HB2 PRO 130 1HB PRO 130 -1.942 -8.381 14.699 952 HB3 PRO 130 2HB PRO 130 -0.258 -8.847 14.430 953 HG2 PRO 130 1HG PRO 130 -2.307 -7.926 12.452 954 HG3 PRO 130 2HG PRO 130 -0.597 -7.474 12.585 955 HD2 PRO 130 1HD PRO 130 -1.488 -9.291 10.785 956 HD3 PRO 130 2HD PRO 130 0.122 -9.392 11.526 957 HA PRO 131 HA PRO 131 -5.418 -11.488 15.381 958 HB2 PRO 131 1HB PRO 131 -5.697 -10.301 17.806 959 HB3 PRO 131 2HB PRO 131 -4.846 -11.833 17.579 960 HG2 PRO 131 1HG PRO 131 -3.729 -9.070 17.859 961 HG3 PRO 131 2HG PRO 131 -3.167 -10.583 18.592 962 HD2 PRO 131 1HD PRO 131 -1.988 -9.494 16.410 963 HD3 PRO 131 2HD PRO 131 -2.067 -11.248 16.678 964 H GLU 132 H GLU 132 -4.195 -8.506 14.628 965 HA GLU 132 HA GLU 132 -6.376 -6.812 15.314 966 HB2 GLU 132 1HB GLU 132 -3.897 -6.256 14.604 967 HB3 GLU 132 2HB GLU 132 -4.594 -6.216 12.990 968 HG2 GLU 132 1HG GLU 132 -4.441 -4.011 14.183 969 HG3 GLU 132 2HG GLU 132 -6.027 -4.433 13.539 970 H VAL 133 H VAL 133 -8.153 -8.158 14.593 971 HA VAL 133 HA VAL 133 -8.526 -8.261 11.684 972 HB VAL 133 HB VAL 133 -8.857 -10.354 13.005 973 HG11 VAL 133 1HG1 VAL 133 -10.146 -8.778 14.800 974 HG12 VAL 133 2HG1 VAL 133 -11.507 -9.511 13.948 975 HG13 VAL 133 3HG1 VAL 133 -10.295 -10.533 14.723 976 HG21 VAL 133 1HG2 VAL 133 -11.214 -9.229 11.501 977 HG22 VAL 133 2HG2 VAL 133 -9.886 -10.191 10.852 978 HG23 VAL 133 3HG2 VAL 133 -11.051 -10.927 11.952 979 H THR 134 H THR 134 -10.215 -7.262 10.666 980 HA THR 134 HA THR 134 -11.263 -4.914 11.807 981 HB THR 134 HB THR 134 -11.160 -4.821 9.491 982 HG1 THR 134 1HG THR 134 -13.878 -5.570 9.893 983 HG21 THR 134 1HG2 THR 134 -10.924 -6.796 8.455 984 HG22 THR 134 2HG2 THR 134 -12.684 -6.799 8.333 985 HG23 THR 134 3HG2 THR 134 -11.890 -7.642 9.663 986 H SER 135 H SER 135 -13.058 -4.504 12.944 987 HA SER 135 HA SER 135 -14.543 -6.575 14.126 988 HB2 SER 135 1HB SER 135 -14.411 -4.522 15.312 989 HB3 SER 135 2HB SER 135 -15.005 -3.599 13.931 990 HG SER 135 HG SER 135 -16.968 -3.999 14.548 991 H GLY 136 H GLY 136 -15.493 -4.224 11.618 992 HA2 GLY 136 1HA GLY 136 -16.792 -4.752 9.716 993 HA3 GLY 136 2HA GLY 136 -17.316 -6.228 10.513 994 HA PRO 137 HA PRO 137 -20.130 -2.358 11.395 995 HB2 PRO 137 1HB PRO 137 -21.299 -1.764 9.018 996 HB3 PRO 137 2HB PRO 137 -19.830 -0.967 9.591 997 HG2 PRO 137 1HG PRO 137 -20.125 -3.217 7.639 998 HG3 PRO 137 2HG PRO 137 -19.074 -1.792 7.552 999 HD2 PRO 137 1HD PRO 137 -18.167 -4.225 8.319 1000 HD3 PRO 137 2HD PRO 137 -17.498 -2.711 8.961 1001 H SER 138 H SER 138 -22.489 -2.394 11.381 1002 HA SER 138 HA SER 138 -23.731 -4.805 10.302 1003 HB2 SER 138 1HB SER 138 -23.344 -4.210 13.199 1004 HB3 SER 138 2HB SER 138 -24.876 -4.931 12.705 1005 HG SER 138 HG SER 138 -23.456 -6.503 11.552 1006 H SER 139 H SER 139 -25.315 -3.970 9.113 1007 HA SER 139 HA SER 139 -26.671 -1.538 9.929 1008 HB2 SER 139 1HB SER 139 -26.553 -3.185 7.446 1009 HB3 SER 139 2HB SER 139 -27.982 -2.184 7.702 1010 HG SER 139 HG SER 139 -26.834 -0.469 7.300 1011 H GLY 140 H GLY 140 -29.083 -1.446 9.787 1012 HA2 GLY 140 1HA GLY 140 -30.763 -3.653 9.934 1013 HA3 GLY 140 2HA GLY 140 -30.219 -3.335 11.574 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -9.430 -24.249 -12.432 2 HA2 GLY 1 1HA GLY 1 -6.525 -23.991 -12.908 3 HA3 GLY 1 2HA GLY 1 -7.569 -24.901 -13.990 4 H SER 2 H SER 2 -7.847 -23.834 -15.823 5 HA SER 2 HA SER 2 -7.717 -20.935 -15.877 6 HB2 SER 2 1HB SER 2 -6.615 -22.443 -17.602 7 HB3 SER 2 2HB SER 2 -8.234 -22.776 -18.216 8 HG SER 2 HG SER 2 -8.256 -20.260 -18.149 9 H SER 3 H SER 3 -9.447 -19.701 -15.648 10 HA SER 3 HA SER 3 -12.076 -20.806 -16.394 11 HB2 SER 3 1HB SER 3 -11.208 -19.113 -14.086 12 HB3 SER 3 2HB SER 3 -12.846 -18.920 -14.711 13 HG SER 3 HG SER 3 -11.846 -20.872 -13.154 14 H GLY 4 H GLY 4 -13.279 -19.719 -17.837 15 HA2 GLY 4 1HA GLY 4 -14.095 -17.825 -18.972 16 HA3 GLY 4 2HA GLY 4 -12.729 -16.901 -18.364 17 H SER 5 H SER 5 -14.054 -18.049 -21.097 18 HA SER 5 HA SER 5 -11.650 -18.946 -22.429 19 HB2 SER 5 1HB SER 5 -14.509 -18.550 -23.267 20 HB3 SER 5 2HB SER 5 -13.250 -18.792 -24.479 21 HG SER 5 HG SER 5 -13.643 -20.539 -22.283 22 H SER 6 H SER 6 -13.935 -16.267 -23.013 23 HA SER 6 HA SER 6 -11.651 -14.626 -23.876 24 HB2 SER 6 1HB SER 6 -12.895 -13.740 -25.727 25 HB3 SER 6 2HB SER 6 -13.000 -15.498 -25.823 26 HG SER 6 HG SER 6 -15.029 -14.397 -26.125 27 H GLY 7 H GLY 7 -12.115 -12.276 -23.830 28 HA2 GLY 7 1HA GLY 7 -14.336 -11.430 -22.157 29 HA3 GLY 7 2HA GLY 7 -12.743 -11.254 -21.437 30 H ASP 8 H ASP 8 -11.949 -9.279 -21.611 31 HA ASP 8 HA ASP 8 -11.869 -7.892 -24.110 32 HB2 ASP 8 1HB ASP 8 -14.228 -7.485 -23.074 33 HB3 ASP 8 2HB ASP 8 -13.369 -6.411 -21.973 34 H ASP 9 H ASP 9 -10.260 -6.392 -24.151 35 HA ASP 9 HA ASP 9 -8.481 -6.327 -21.889 36 HB2 ASP 9 1HB ASP 9 -7.927 -6.341 -24.459 37 HB3 ASP 9 2HB ASP 9 -8.104 -4.596 -24.303 38 H ASP 10 H ASP 10 -9.777 -5.245 -20.331 39 HA ASP 10 HA ASP 10 -9.963 -2.338 -20.780 40 HB2 ASP 10 1HB ASP 10 -11.875 -4.218 -19.425 41 HB3 ASP 10 2HB ASP 10 -11.835 -2.513 -18.984 42 H LEU 11 H LEU 11 -9.551 -4.888 -18.349 43 HA LEU 11 HA LEU 11 -8.738 -3.124 -16.272 44 HB2 LEU 11 1HB LEU 11 -8.049 -6.042 -16.472 45 HB3 LEU 11 2HB LEU 11 -8.232 -5.065 -15.017 46 HG LEU 11 HG LEU 11 -10.580 -5.525 -16.813 47 HD11 LEU 11 1HD1 LEU 11 -10.583 -7.709 -16.442 48 HD12 LEU 11 2HD1 LEU 11 -10.699 -7.386 -14.713 49 HD13 LEU 11 3HD1 LEU 11 -9.118 -7.585 -15.468 50 HD21 LEU 11 1HD2 LEU 11 -11.274 -4.081 -15.212 51 HD22 LEU 11 2HD2 LEU 11 -10.054 -4.605 -14.051 52 HD23 LEU 11 3HD2 LEU 11 -11.504 -5.577 -14.307 53 H GLU 12 H GLU 12 -7.027 -1.840 -16.732 54 HA GLU 12 HA GLU 12 -4.499 -3.196 -17.402 55 HB2 GLU 12 1HB GLU 12 -3.835 -1.407 -18.801 56 HB3 GLU 12 2HB GLU 12 -5.487 -1.788 -19.267 57 HG2 GLU 12 1HG GLU 12 -6.342 0.137 -18.287 58 HG3 GLU 12 2HG GLU 12 -4.914 0.374 -17.281 59 H VAL 13 H VAL 13 -2.560 -2.083 -16.639 60 HA VAL 13 HA VAL 13 -3.017 -0.285 -14.363 61 HB VAL 13 HB VAL 13 -1.239 -2.727 -14.269 62 HG11 VAL 13 1HG1 VAL 13 -1.871 -1.013 -11.910 63 HG12 VAL 13 2HG1 VAL 13 -0.480 -2.058 -12.203 64 HG13 VAL 13 3HG1 VAL 13 -0.610 -0.508 -13.034 65 HG21 VAL 13 1HG2 VAL 13 -3.920 -2.109 -13.067 66 HG22 VAL 13 2HG2 VAL 13 -3.432 -3.514 -14.016 67 HG23 VAL 13 3HG2 VAL 13 -2.843 -3.318 -12.365 68 H LYS 14 H LYS 14 -1.628 1.371 -14.268 69 HA LYS 14 HA LYS 14 0.561 1.429 -16.212 70 HB2 LYS 14 1HB LYS 14 -0.760 3.634 -14.621 71 HB3 LYS 14 2HB LYS 14 0.591 3.879 -15.720 72 HG2 LYS 14 1HG LYS 14 -0.982 2.733 -17.456 73 HG3 LYS 14 2HG LYS 14 -2.250 3.214 -16.327 74 HD2 LYS 14 1HD LYS 14 -1.606 5.524 -16.504 75 HD3 LYS 14 2HD LYS 14 -0.195 5.100 -17.476 76 HE2 LYS 14 1HE LYS 14 -1.899 5.925 -18.943 77 HE3 LYS 14 2HE LYS 14 -1.739 4.189 -19.202 78 HZ1 LYS 14 1HZ LYS 14 -4.072 5.124 -19.027 79 HZ2 LYS 14 2HZ LYS 14 -3.774 5.309 -17.372 80 HZ3 LYS 14 3HZ LYS 14 -3.725 3.770 -18.073 81 H GLU 15 H GLU 15 2.349 3.121 -15.261 82 HA GLU 15 HA GLU 15 3.047 2.502 -12.520 83 HB2 GLU 15 1HB GLU 15 5.212 1.515 -13.060 84 HB3 GLU 15 2HB GLU 15 3.906 0.547 -13.729 85 HG2 GLU 15 1HG GLU 15 5.432 2.578 -15.332 86 HG3 GLU 15 2HG GLU 15 5.900 0.883 -15.216 87 H GLU 16 H GLU 16 4.623 3.877 -11.660 88 HA GLU 16 HA GLU 16 5.707 5.945 -13.428 89 HB2 GLU 16 1HB GLU 16 3.951 6.395 -11.030 90 HB3 GLU 16 2HB GLU 16 5.106 7.615 -11.548 91 HG2 GLU 16 1HG GLU 16 2.991 6.462 -13.345 92 HG3 GLU 16 2HG GLU 16 2.771 7.923 -12.384 93 H ASN 17 H ASN 17 7.821 6.044 -13.118 94 HA ASN 17 HA ASN 17 9.883 5.894 -12.167 95 HB2 ASN 17 1HB ASN 17 8.732 7.742 -10.779 96 HB3 ASN 17 2HB ASN 17 8.602 6.521 -9.516 97 HD21 ASN 17 1HD2 ASN 17 10.450 8.975 -10.675 98 HD22 ASN 17 2HD2 ASN 17 11.965 8.560 -9.955 99 H GLY 18 H GLY 18 8.153 3.514 -12.228 100 HA2 GLY 18 1HA GLY 18 8.708 1.300 -11.699 101 HA3 GLY 18 2HA GLY 18 9.743 1.891 -10.407 102 H VAL 19 H VAL 19 6.580 3.208 -10.542 103 HA VAL 19 HA VAL 19 5.728 1.408 -8.367 104 HB VAL 19 HB VAL 19 5.012 4.331 -8.602 105 HG11 VAL 19 1HG1 VAL 19 3.317 3.271 -7.391 106 HG12 VAL 19 2HG1 VAL 19 4.450 2.194 -6.572 107 HG13 VAL 19 3HG1 VAL 19 4.398 3.906 -6.152 108 HG21 VAL 19 1HG2 VAL 19 6.566 4.743 -6.790 109 HG22 VAL 19 2HG2 VAL 19 7.011 3.037 -6.748 110 HG23 VAL 19 3HG2 VAL 19 7.417 4.019 -8.155 111 H TRP 20 H TRP 20 4.135 0.162 -9.088 112 HA TRP 20 HA TRP 20 2.537 0.745 -11.339 113 HB2 TRP 20 1HB TRP 20 2.004 -1.239 -9.117 114 HB3 TRP 20 2HB TRP 20 1.249 -1.239 -10.708 115 HD1 TRP 20 HD TRP 20 4.241 -2.517 -8.872 116 HE1 TRP 20 1HE TRP 20 5.800 -3.766 -10.496 117 HE3 TRP 20 3HE TRP 20 2.103 -1.106 -13.296 118 HZ2 TRP 20 2HZ TRP 20 6.085 -4.107 -13.283 119 HZ3 TRP 20 3HZ TRP 20 3.080 -1.937 -15.396 120 HH2 TRP 20 HH TRP 20 5.030 -3.406 -15.388 121 H VAL 21 H VAL 21 0.304 1.221 -11.472 122 HA VAL 21 HA VAL 21 -0.752 2.633 -9.109 123 HB VAL 21 HB VAL 21 -1.276 3.226 -12.025 124 HG11 VAL 21 1HG1 VAL 21 -2.124 4.984 -9.765 125 HG12 VAL 21 2HG1 VAL 21 -2.774 4.865 -11.401 126 HG13 VAL 21 3HG1 VAL 21 -3.121 3.602 -10.219 127 HG21 VAL 21 1HG2 VAL 21 0.975 3.853 -10.804 128 HG22 VAL 21 2HG2 VAL 21 0.180 4.988 -11.894 129 HG23 VAL 21 3HG2 VAL 21 -0.011 5.160 -10.150 130 H LEU 22 H LEU 22 -2.203 1.330 -8.175 131 HA LEU 22 HA LEU 22 -3.965 -0.306 -9.835 132 HB2 LEU 22 1HB LEU 22 -3.533 -0.244 -6.853 133 HB3 LEU 22 2HB LEU 22 -4.635 -1.336 -7.687 134 HG LEU 22 HG LEU 22 -1.650 -1.286 -8.112 135 HD11 LEU 22 1HD1 LEU 22 -1.747 -3.452 -6.830 136 HD12 LEU 22 2HD1 LEU 22 -3.367 -2.981 -6.316 137 HD13 LEU 22 3HD1 LEU 22 -1.978 -1.987 -5.876 138 HD21 LEU 22 1HD2 LEU 22 -3.163 -2.144 -9.951 139 HD22 LEU 22 2HD2 LEU 22 -3.626 -3.433 -8.840 140 HD23 LEU 22 3HD2 LEU 22 -1.946 -3.270 -9.353 141 H ASN 23 H ASN 23 -6.283 -0.477 -9.065 142 HA ASN 23 HA ASN 23 -7.411 1.834 -7.777 143 HB2 ASN 23 1HB ASN 23 -8.931 2.084 -9.968 144 HB3 ASN 23 2HB ASN 23 -7.452 3.011 -9.735 145 HD21 ASN 23 1HD2 ASN 23 -8.843 0.197 -11.290 146 HD22 ASN 23 2HD2 ASN 23 -7.653 0.064 -12.536 147 H ASP 24 H ASP 24 -9.884 1.709 -7.871 148 HA ASP 24 HA ASP 24 -10.718 -0.747 -6.841 149 HB2 ASP 24 1HB ASP 24 -12.179 1.673 -7.852 150 HB3 ASP 24 2HB ASP 24 -13.075 0.235 -7.369 151 H GLY 25 H GLY 25 -10.131 0.107 -10.040 152 HA2 GLY 25 1HA GLY 25 -12.056 -1.813 -11.131 153 HA3 GLY 25 2HA GLY 25 -11.076 -0.689 -12.061 154 H ASN 26 H ASN 26 -8.684 -1.521 -10.407 155 HA ASN 26 HA ASN 26 -8.247 -4.176 -11.599 156 HB2 ASN 26 1HB ASN 26 -6.045 -3.548 -12.328 157 HB3 ASN 26 2HB ASN 26 -7.176 -2.346 -12.944 158 HD21 ASN 26 1HD2 ASN 26 -5.807 -0.655 -13.108 159 HD22 ASN 26 2HD2 ASN 26 -5.016 0.086 -11.762 160 H PHE 27 H PHE 27 -8.731 -2.877 -8.816 161 HA PHE 27 HA PHE 27 -6.429 -3.281 -7.257 162 HB2 PHE 27 1HB PHE 27 -8.459 -2.030 -6.522 163 HB3 PHE 27 2HB PHE 27 -9.307 -3.566 -6.373 164 HD1 PHE 27 1HD PHE 27 -6.694 -1.423 -4.965 165 HD2 PHE 27 2HD PHE 27 -8.853 -5.067 -4.553 166 HE1 PHE 27 1HE PHE 27 -5.853 -1.657 -2.665 167 HE2 PHE 27 2HE PHE 27 -8.016 -5.307 -2.251 168 HZ PHE 27 HZ PHE 27 -6.514 -3.600 -1.304 169 H ASP 28 H ASP 28 -9.258 -5.402 -7.709 170 HA ASP 28 HA ASP 28 -7.986 -7.603 -6.375 171 HB2 ASP 28 1HB ASP 28 -10.511 -7.100 -6.535 172 HB3 ASP 28 2HB ASP 28 -10.416 -7.826 -8.137 173 H ASN 29 H ASN 29 -8.590 -6.666 -9.719 174 HA ASN 29 HA ASN 29 -7.890 -9.020 -11.013 175 HB2 ASN 29 1HB ASN 29 -7.878 -6.136 -11.750 176 HB3 ASN 29 2HB ASN 29 -6.994 -7.242 -12.797 177 HD21 ASN 29 1HD2 ASN 29 -8.248 -9.233 -13.427 178 HD22 ASN 29 2HD2 ASN 29 -9.908 -9.002 -13.848 179 H PHE 30 H PHE 30 -5.853 -6.480 -9.684 180 HA PHE 30 HA PHE 30 -3.422 -7.558 -10.769 181 HB2 PHE 30 1HB PHE 30 -3.848 -5.119 -10.154 182 HB3 PHE 30 2HB PHE 30 -3.643 -5.611 -8.476 183 HD1 PHE 30 1HD PHE 30 -1.946 -5.452 -11.759 184 HD2 PHE 30 2HD PHE 30 -1.507 -5.881 -7.547 185 HE1 PHE 30 1HE PHE 30 0.491 -5.200 -11.990 186 HE2 PHE 30 2HE PHE 30 0.930 -5.629 -7.772 187 HZ PHE 30 HZ PHE 30 1.932 -5.288 -9.995 188 H VAL 31 H VAL 31 -4.585 -7.186 -7.414 189 HA VAL 31 HA VAL 31 -2.647 -8.913 -6.302 190 HB VAL 31 HB VAL 31 -3.858 -8.779 -4.258 191 HG11 VAL 31 1HG1 VAL 31 -4.608 -6.220 -4.421 192 HG12 VAL 31 2HG1 VAL 31 -2.916 -6.720 -4.396 193 HG13 VAL 31 3HG1 VAL 31 -3.702 -6.341 -5.929 194 HG21 VAL 31 1HG2 VAL 31 -6.222 -7.375 -4.880 195 HG22 VAL 31 2HG2 VAL 31 -6.143 -8.754 -5.976 196 HG23 VAL 31 3HG2 VAL 31 -6.068 -9.008 -4.233 197 H ALA 32 H ALA 32 -5.191 -9.636 -8.289 198 HA ALA 32 HA ALA 32 -6.334 -11.928 -7.159 199 HB1 ALA 32 1HB ALA 32 -6.392 -12.447 -9.843 200 HB2 ALA 32 2HB ALA 32 -7.568 -11.466 -8.967 201 HB3 ALA 32 3HB ALA 32 -6.223 -10.691 -9.804 202 H ASP 33 H ASP 33 -3.736 -11.737 -9.601 203 HA ASP 33 HA ASP 33 -3.077 -14.520 -9.239 204 HB2 ASP 33 1HB ASP 33 -1.668 -12.362 -10.825 205 HB3 ASP 33 2HB ASP 33 -1.312 -14.086 -10.903 206 H LYS 34 H LYS 34 -1.961 -11.458 -8.044 207 HA LYS 34 HA LYS 34 0.507 -12.562 -6.986 208 HB2 LYS 34 1HB LYS 34 -0.735 -9.823 -6.677 209 HB3 LYS 34 2HB LYS 34 0.856 -10.282 -6.085 210 HG2 LYS 34 1HG LYS 34 1.651 -10.626 -8.323 211 HG3 LYS 34 2HG LYS 34 0.034 -10.363 -8.980 212 HD2 LYS 34 1HD LYS 34 0.076 -8.074 -8.454 213 HD3 LYS 34 2HD LYS 34 1.442 -8.266 -7.353 214 HE2 LYS 34 1HE LYS 34 2.339 -7.275 -9.287 215 HE3 LYS 34 2HE LYS 34 2.785 -8.978 -9.389 216 HZ1 LYS 34 1HZ LYS 34 0.306 -8.064 -10.676 217 HZ2 LYS 34 2HZ LYS 34 1.318 -9.353 -11.092 218 HZ3 LYS 34 3HZ LYS 34 1.787 -7.766 -11.439 219 H ASP 35 H ASP 35 0.874 -13.160 -4.921 220 HA ASP 35 HA ASP 35 -1.428 -13.447 -3.183 221 HB2 ASP 35 1HB ASP 35 1.443 -14.325 -2.801 222 HB3 ASP 35 2HB ASP 35 0.091 -14.764 -1.760 223 H THR 36 H THR 36 1.790 -11.942 -2.998 224 HA THR 36 HA THR 36 0.798 -10.297 -0.763 225 HB THR 36 HB THR 36 3.704 -10.808 -1.390 226 HG1 THR 36 1HG THR 36 3.631 -12.562 -0.127 227 HG21 THR 36 1HG2 THR 36 4.167 -9.564 0.422 228 HG22 THR 36 2HG2 THR 36 2.856 -10.280 1.360 229 HG23 THR 36 3HG2 THR 36 2.522 -8.954 0.247 230 H VAL 37 H VAL 37 0.240 -8.337 -1.446 231 HA VAL 37 HA VAL 37 2.029 -6.958 -3.338 232 HB VAL 37 HB VAL 37 -0.985 -6.745 -3.270 233 HG11 VAL 37 1HG1 VAL 37 -0.877 -4.995 -4.689 234 HG12 VAL 37 2HG1 VAL 37 0.713 -4.768 -3.959 235 HG13 VAL 37 3HG1 VAL 37 0.563 -5.606 -5.504 236 HG21 VAL 37 1HG2 VAL 37 -1.078 -8.346 -4.811 237 HG22 VAL 37 2HG2 VAL 37 0.171 -7.566 -5.781 238 HG23 VAL 37 3HG2 VAL 37 0.624 -8.675 -4.488 239 H LEU 38 H LEU 38 2.599 -4.913 -2.823 240 HA LEU 38 HA LEU 38 1.743 -3.915 -0.222 241 HB2 LEU 38 1HB LEU 38 4.081 -3.911 -0.488 242 HB3 LEU 38 2HB LEU 38 3.976 -3.201 -2.097 243 HG LEU 38 HG LEU 38 3.001 -1.143 -0.830 244 HD11 LEU 38 1HD1 LEU 38 4.199 -2.791 1.350 245 HD12 LEU 38 2HD1 LEU 38 2.729 -1.817 1.353 246 HD13 LEU 38 3HD1 LEU 38 4.307 -1.032 1.422 247 HD21 LEU 38 1HD2 LEU 38 5.097 -0.158 -0.894 248 HD22 LEU 38 2HD2 LEU 38 5.271 -1.506 -2.019 249 HD23 LEU 38 3HD2 LEU 38 5.919 -1.633 -0.383 250 H LEU 39 H LEU 39 0.284 -2.359 0.008 251 HA LEU 39 HA LEU 39 -0.306 -0.638 -2.310 252 HB2 LEU 39 1HB LEU 39 -2.286 -1.290 -0.155 253 HB3 LEU 39 2HB LEU 39 -2.585 -0.631 -1.762 254 HG LEU 39 HG LEU 39 -1.527 -3.416 -1.389 255 HD11 LEU 39 1HD1 LEU 39 -3.426 -3.917 -0.318 256 HD12 LEU 39 2HD1 LEU 39 -4.183 -3.748 -1.902 257 HD13 LEU 39 3HD1 LEU 39 -4.198 -2.397 -0.769 258 HD21 LEU 39 1HD2 LEU 39 -3.335 -2.460 -3.564 259 HD22 LEU 39 2HD2 LEU 39 -2.129 -3.747 -3.587 260 HD23 LEU 39 3HD2 LEU 39 -1.618 -2.058 -3.616 261 H GLU 40 H GLU 40 -0.186 1.504 -2.021 262 HA GLU 40 HA GLU 40 -0.003 2.519 0.739 263 HB2 GLU 40 1HB GLU 40 2.213 2.560 -0.221 264 HB3 GLU 40 2HB GLU 40 1.615 3.352 -1.673 265 HG2 GLU 40 1HG GLU 40 0.834 5.167 0.091 266 HG3 GLU 40 2HG GLU 40 2.166 4.471 1.013 267 H PHE 41 H PHE 41 -1.528 3.943 1.215 268 HA PHE 41 HA PHE 41 -3.062 5.172 -0.940 269 HB2 PHE 41 1HB PHE 41 -3.569 5.228 2.042 270 HB3 PHE 41 2HB PHE 41 -4.683 5.748 0.782 271 HD1 PHE 41 2HD PHE 41 -3.123 2.863 2.414 272 HD2 PHE 41 1HD PHE 41 -5.935 4.159 -0.506 273 HE1 PHE 41 2HE PHE 41 -4.055 0.588 2.307 274 HE2 PHE 41 1HE PHE 41 -6.872 1.887 -0.618 275 HZ PHE 41 HZ PHE 41 -5.931 0.098 0.789 276 H TYR 42 H TYR 42 -3.010 7.283 -1.437 277 HA TYR 42 HA TYR 42 -1.736 9.162 0.410 278 HB2 TYR 42 1HB TYR 42 -0.177 9.975 -1.140 279 HB3 TYR 42 2HB TYR 42 -0.093 8.230 -1.349 280 HD1 TYR 42 2HD TYR 42 -1.550 11.323 -2.792 281 HD2 TYR 42 1HD TYR 42 -0.519 7.247 -3.443 282 HE1 TYR 42 2HE TYR 42 -2.015 11.595 -5.192 283 HE2 TYR 42 1HE TYR 42 -0.980 7.507 -5.844 284 HH TYR 42 HH TYR 42 -2.561 9.204 -7.242 285 H ALA 43 H ALA 43 -1.945 11.469 -0.511 286 HA ALA 43 HA ALA 43 -4.449 11.784 -2.012 287 HB1 ALA 43 1HB ALA 43 -5.480 13.097 -0.443 288 HB2 ALA 43 2HB ALA 43 -4.610 11.974 0.602 289 HB3 ALA 43 3HB ALA 43 -3.961 13.587 0.308 290 HA PRO 44 HA PRO 44 -2.130 14.788 -4.249 291 HB2 PRO 44 1HB PRO 44 -4.192 16.164 -5.356 292 HB3 PRO 44 2HB PRO 44 -3.710 14.552 -5.900 293 HG2 PRO 44 1HG PRO 44 -5.937 15.344 -4.064 294 HG3 PRO 44 2HG PRO 44 -5.940 14.154 -5.378 295 HD2 PRO 44 1HD PRO 44 -5.711 13.448 -2.774 296 HD3 PRO 44 2HD PRO 44 -4.934 12.534 -4.083 297 H TRP 45 H TRP 45 -4.464 15.646 -1.833 298 HA TRP 45 HA TRP 45 -3.709 18.455 -1.854 299 HB2 TRP 45 1HB TRP 45 -5.316 18.472 0.177 300 HB3 TRP 45 2HB TRP 45 -5.994 18.215 -1.428 301 HD1 TRP 45 HD TRP 45 -7.172 15.917 -1.901 302 HE1 TRP 45 1HE TRP 45 -7.805 13.912 -0.416 303 HE3 TRP 45 3HE TRP 45 -4.456 17.104 2.264 304 HZ2 TRP 45 2HZ TRP 45 -7.229 12.961 2.178 305 HZ3 TRP 45 3HZ TRP 45 -4.553 15.594 4.205 306 HH2 TRP 45 HH TRP 45 -5.911 13.566 4.161 307 H CYS 46 H CYS 46 -2.977 15.536 -0.144 308 HA CYS 46 HA CYS 46 -1.842 16.822 2.158 309 HB2 CYS 46 1HB CYS 46 -2.809 14.458 2.054 310 HB3 CYS 46 2HB CYS 46 -1.309 13.993 1.261 311 HG CYS 46 HG CYS 46 -0.129 13.458 3.467 312 H GLY 47 H GLY 47 -0.144 18.130 1.774 313 HA2 GLY 47 1HA GLY 47 1.777 17.747 -0.258 314 HA3 GLY 47 2HA GLY 47 1.946 18.821 1.123 315 H HIS 48 H HIS 48 1.739 16.822 3.148 316 HA HIS 48 HA HIS 48 4.335 16.156 3.623 317 HB2 HIS 48 1HB HIS 48 1.909 14.525 4.405 318 HB3 HIS 48 2HB HIS 48 3.501 14.402 5.148 319 HD1 HIS 48 1HD HIS 48 1.098 15.115 6.880 320 HD2 HIS 48 2HD HIS 48 3.526 17.942 5.042 321 HE1 HIS 48 1HE HIS 48 0.807 17.224 8.218 322 HE2 HIS 48 2HE HIS 48 2.219 18.943 7.037 323 H CYS 49 H CYS 49 2.089 14.513 1.526 324 HA CYS 49 HA CYS 49 3.503 12.083 1.245 325 HB2 CYS 49 1HB CYS 49 1.267 12.038 0.521 326 HB3 CYS 49 2HB CYS 49 1.453 13.503 -0.436 327 HG CYS 49 HG CYS 49 3.141 10.673 -1.297 328 H LYS 50 H LYS 50 3.668 15.166 -0.454 329 HA LYS 50 HA LYS 50 5.220 14.500 -2.631 330 HB2 LYS 50 1HB LYS 50 5.442 17.005 -0.951 331 HB3 LYS 50 2HB LYS 50 6.021 16.822 -2.602 332 HG2 LYS 50 1HG LYS 50 3.905 16.863 -3.496 333 HG3 LYS 50 2HG LYS 50 3.147 16.311 -2.000 334 HD2 LYS 50 1HD LYS 50 2.540 18.513 -1.945 335 HD3 LYS 50 2HD LYS 50 4.086 18.616 -1.100 336 HE2 LYS 50 1HE LYS 50 5.103 19.050 -3.409 337 HE3 LYS 50 2HE LYS 50 3.449 19.335 -3.945 338 HZ1 LYS 50 1HZ LYS 50 3.566 20.864 -1.756 339 HZ2 LYS 50 2HZ LYS 50 3.892 21.427 -3.317 340 HZ3 LYS 50 3HZ LYS 50 5.165 20.982 -2.296 341 H GLN 51 H GLN 51 6.374 15.491 0.591 342 HA GLN 51 HA GLN 51 9.109 15.222 0.068 343 HB2 GLN 51 1HB GLN 51 7.466 15.144 2.577 344 HB3 GLN 51 2HB GLN 51 9.193 14.816 2.638 345 HG2 GLN 51 1HG GLN 51 9.718 16.983 1.825 346 HG3 GLN 51 2HG GLN 51 8.031 17.311 1.432 347 HE21 GLN 51 1HE2 GLN 51 10.301 16.806 4.060 348 HE22 GLN 51 2HE2 GLN 51 9.392 17.655 5.259 349 H PHE 52 H PHE 52 6.688 12.851 0.438 350 HA PHE 52 HA PHE 52 8.687 10.758 0.948 351 HB2 PHE 52 1HB PHE 52 6.679 10.907 2.460 352 HB3 PHE 52 2HB PHE 52 5.680 10.493 1.071 353 HD1 PHE 52 1HD PHE 52 8.611 9.250 3.000 354 HD2 PHE 52 2HD PHE 52 5.205 8.278 0.640 355 HE1 PHE 52 1HE PHE 52 8.984 6.861 3.452 356 HE2 PHE 52 2HE PHE 52 5.572 5.887 1.089 357 HZ PHE 52 HZ PHE 52 7.463 5.176 2.497 358 H ALA 53 H ALA 53 6.729 12.129 -1.467 359 HA ALA 53 HA ALA 53 5.958 10.115 -3.126 360 HB1 ALA 53 1HB ALA 53 5.474 11.848 -4.418 361 HB2 ALA 53 2HB ALA 53 6.461 12.889 -3.392 362 HB3 ALA 53 3HB ALA 53 7.185 12.075 -4.778 363 HA PRO 54 HA PRO 54 10.324 9.816 -5.161 364 HB2 PRO 54 1HB PRO 54 12.359 11.168 -3.977 365 HB3 PRO 54 2HB PRO 54 11.332 11.880 -5.226 366 HG2 PRO 54 1HG PRO 54 11.188 12.190 -2.252 367 HG3 PRO 54 2HG PRO 54 11.018 13.423 -3.516 368 HD2 PRO 54 1HD PRO 54 8.888 12.325 -2.255 369 HD3 PRO 54 2HD PRO 54 8.825 12.858 -3.948 370 H GLU 55 H GLU 55 9.861 9.848 -1.734 371 HA GLU 55 HA GLU 55 12.073 8.113 -1.123 372 HB2 GLU 55 1HB GLU 55 11.232 9.704 0.540 373 HB3 GLU 55 2HB GLU 55 9.670 8.898 0.536 374 HG2 GLU 55 1HG GLU 55 10.670 8.042 2.424 375 HG3 GLU 55 2HG GLU 55 11.011 6.801 1.220 376 H TYR 56 H TYR 56 8.756 7.744 -2.043 377 HA TYR 56 HA TYR 56 8.529 5.017 -1.146 378 HB2 TYR 56 1HB TYR 56 6.592 6.623 -1.366 379 HB3 TYR 56 2HB TYR 56 6.747 6.461 -3.112 380 HD1 TYR 56 1HD TYR 56 6.949 3.915 -0.388 381 HD2 TYR 56 2HD TYR 56 4.898 5.279 -3.857 382 HE1 TYR 56 1HE TYR 56 5.520 1.915 -0.322 383 HE2 TYR 56 2HE TYR 56 3.463 3.283 -3.800 384 HH TYR 56 HH TYR 56 2.970 1.399 -2.744 385 H GLU 57 H GLU 57 8.559 6.553 -4.368 386 HA GLU 57 HA GLU 57 8.611 4.363 -5.979 387 HB2 GLU 57 1HB GLU 57 9.541 5.701 -7.665 388 HB3 GLU 57 2HB GLU 57 8.716 6.845 -6.615 389 HG2 GLU 57 1HG GLU 57 10.959 7.197 -5.484 390 HG3 GLU 57 2HG GLU 57 11.660 6.322 -6.843 391 H LYS 58 H LYS 58 11.179 5.531 -3.937 392 HA LYS 58 HA LYS 58 13.307 4.068 -5.091 393 HB2 LYS 58 1HB LYS 58 12.872 5.256 -2.357 394 HB3 LYS 58 2HB LYS 58 14.339 4.375 -2.763 395 HG2 LYS 58 1HG LYS 58 14.963 5.968 -4.388 396 HG3 LYS 58 2HG LYS 58 13.371 6.731 -4.356 397 HD2 LYS 58 1HD LYS 58 14.732 8.173 -3.110 398 HD3 LYS 58 2HD LYS 58 13.868 7.231 -1.893 399 HE2 LYS 58 1HE LYS 58 15.743 5.996 -1.333 400 HE3 LYS 58 2HE LYS 58 16.535 6.307 -2.877 401 HZ1 LYS 58 1HZ LYS 58 17.524 8.096 -2.049 402 HZ2 LYS 58 2HZ LYS 58 16.987 7.623 -0.516 403 HZ3 LYS 58 3HZ LYS 58 16.077 8.717 -1.431 404 H ILE 59 H ILE 59 11.070 3.354 -2.436 405 HA ILE 59 HA ILE 59 12.216 0.894 -1.683 406 HB ILE 59 HB ILE 59 9.390 1.909 -1.388 407 HG12 ILE 59 1HG1 ILE 59 11.372 1.544 0.830 408 HG13 ILE 59 2HG1 ILE 59 11.481 2.965 -0.204 409 HG21 ILE 59 1HG2 ILE 59 9.659 0.029 0.543 410 HG22 ILE 59 2HG2 ILE 59 8.888 -0.250 -1.018 411 HG23 ILE 59 3HG2 ILE 59 10.574 -0.707 -0.772 412 HD11 ILE 59 1HD1 ILE 59 10.136 3.066 2.007 413 HD12 ILE 59 2HD1 ILE 59 9.489 3.828 0.553 414 HD13 ILE 59 3HD1 ILE 59 8.881 2.255 1.070 415 H ALA 60 H ALA 60 9.983 1.776 -4.215 416 HA ALA 60 HA ALA 60 8.926 -0.755 -4.805 417 HB1 ALA 60 1HB ALA 60 8.410 0.183 -7.019 418 HB2 ALA 60 2HB ALA 60 7.963 1.277 -5.710 419 HB3 ALA 60 3HB ALA 60 9.424 1.578 -6.650 420 H SER 61 H SER 61 11.595 0.967 -6.437 421 HA SER 61 HA SER 61 12.388 -1.052 -8.146 422 HB2 SER 61 1HB SER 61 13.237 1.376 -7.975 423 HB3 SER 61 2HB SER 61 14.388 0.751 -6.793 424 HG SER 61 HG SER 61 14.893 0.816 -9.225 425 H THR 62 H THR 62 12.781 -0.824 -4.731 426 HA THR 62 HA THR 62 14.899 -2.788 -4.586 427 HB THR 62 HB THR 62 13.209 -1.573 -2.391 428 HG1 THR 62 1HG THR 62 15.935 -1.031 -2.942 429 HG21 THR 62 1HG2 THR 62 14.731 -3.883 -2.276 430 HG22 THR 62 2HG2 THR 62 14.236 -2.893 -0.903 431 HG23 THR 62 3HG2 THR 62 15.812 -2.638 -1.652 432 H LEU 63 H LEU 63 11.572 -2.677 -3.291 433 HA LEU 63 HA LEU 63 11.487 -5.495 -2.859 434 HB2 LEU 63 1HB LEU 63 9.406 -3.329 -2.808 435 HB3 LEU 63 2HB LEU 63 9.003 -5.023 -2.536 436 HG LEU 63 HG LEU 63 10.996 -3.517 -0.854 437 HD11 LEU 63 1HD1 LEU 63 8.402 -2.811 -0.961 438 HD12 LEU 63 2HD1 LEU 63 9.383 -2.722 0.501 439 HD13 LEU 63 3HD1 LEU 63 8.324 -4.106 0.234 440 HD21 LEU 63 1HD2 LEU 63 9.517 -5.728 0.316 441 HD22 LEU 63 2HD2 LEU 63 11.253 -5.419 0.281 442 HD23 LEU 63 3HD2 LEU 63 10.471 -6.214 -1.086 443 H LYS 64 H LYS 64 11.486 -3.828 -5.657 444 HA LYS 64 HA LYS 64 9.408 -5.303 -7.038 445 HB2 LYS 64 1HB LYS 64 9.720 -3.054 -7.767 446 HB3 LYS 64 2HB LYS 64 11.455 -3.280 -7.939 447 HG2 LYS 64 1HG LYS 64 10.764 -5.077 -9.695 448 HG3 LYS 64 2HG LYS 64 9.241 -4.186 -9.717 449 HD2 LYS 64 1HD LYS 64 11.906 -2.832 -10.059 450 HD3 LYS 64 2HD LYS 64 11.003 -3.499 -11.422 451 HE2 LYS 64 1HE LYS 64 9.069 -2.084 -10.745 452 HE3 LYS 64 2HE LYS 64 10.094 -1.346 -9.516 453 HZ1 LYS 64 1HZ LYS 64 11.409 -1.271 -12.005 454 HZ2 LYS 64 2HZ LYS 64 10.913 0.020 -11.032 455 HZ3 LYS 64 3HZ LYS 64 9.857 -0.622 -12.186 456 H ASP 65 H ASP 65 12.853 -5.454 -6.561 457 HA ASP 65 HA ASP 65 12.959 -7.811 -8.329 458 HB2 ASP 65 1HB ASP 65 14.318 -5.932 -9.175 459 HB3 ASP 65 2HB ASP 65 15.211 -5.906 -7.657 460 H ASN 66 H ASN 66 12.476 -7.299 -5.316 461 HA ASN 66 HA ASN 66 14.685 -8.601 -4.026 462 HB2 ASN 66 1HB ASN 66 13.609 -8.151 -2.045 463 HB3 ASN 66 2HB ASN 66 12.853 -6.937 -3.073 464 HD21 ASN 66 1HD2 ASN 66 12.292 -9.334 -0.881 465 HD22 ASN 66 2HD2 ASN 66 10.627 -9.646 -1.223 466 H ASP 67 H ASP 67 14.093 -10.533 -2.524 467 HA ASP 67 HA ASP 67 12.467 -12.479 -4.014 468 HB2 ASP 67 1HB ASP 67 14.197 -14.211 -3.398 469 HB3 ASP 67 2HB ASP 67 14.718 -13.026 -4.593 470 HA PRO 68 HA PRO 68 10.956 -13.642 -3.899 471 HB2 PRO 68 1HB PRO 68 8.366 -13.273 -3.174 472 HB3 PRO 68 2HB PRO 68 9.240 -14.781 -2.881 473 HG2 PRO 68 1HG PRO 68 8.680 -12.520 -1.001 474 HG3 PRO 68 2HG PRO 68 8.579 -14.266 -0.711 475 HD2 PRO 68 1HD PRO 68 10.689 -12.774 0.098 476 HD3 PRO 68 2HD PRO 68 10.853 -14.472 -0.395 477 HA PRO 69 HA PRO 69 10.562 -9.471 -5.289 478 HB2 PRO 69 1HB PRO 69 9.316 -9.933 -7.656 479 HB3 PRO 69 2HB PRO 69 11.027 -10.286 -7.386 480 HG2 PRO 69 1HG PRO 69 8.678 -12.141 -7.328 481 HG3 PRO 69 2HG PRO 69 10.280 -12.386 -8.049 482 HD2 PRO 69 1HD PRO 69 9.587 -13.435 -5.651 483 HD3 PRO 69 2HD PRO 69 11.246 -12.928 -6.028 484 H ILE 70 H ILE 70 9.165 -8.086 -4.406 485 HA ILE 70 HA ILE 70 6.308 -8.739 -4.380 486 HB ILE 70 HB ILE 70 7.819 -6.597 -2.879 487 HG12 ILE 70 1HG1 ILE 70 6.439 -8.916 -1.592 488 HG13 ILE 70 2HG1 ILE 70 8.017 -9.173 -2.329 489 HG21 ILE 70 1HG2 ILE 70 5.700 -5.705 -3.059 490 HG22 ILE 70 2HG2 ILE 70 4.920 -7.286 -3.062 491 HG23 ILE 70 3HG2 ILE 70 5.574 -6.628 -1.562 492 HD11 ILE 70 1HD1 ILE 70 9.090 -8.099 -0.688 493 HD12 ILE 70 2HD1 ILE 70 7.856 -6.844 -0.562 494 HD13 ILE 70 3HD1 ILE 70 7.614 -8.401 0.229 495 H ALA 71 H ALA 71 4.736 -7.196 -5.019 496 HA ALA 71 HA ALA 71 5.716 -5.347 -7.083 497 HB1 ALA 71 1HB ALA 71 2.860 -5.741 -7.107 498 HB2 ALA 71 2HB ALA 71 4.049 -6.053 -8.372 499 HB3 ALA 71 3HB ALA 71 3.713 -7.284 -7.155 500 H VAL 72 H VAL 72 5.980 -3.365 -6.263 501 HA VAL 72 HA VAL 72 4.239 -2.357 -4.176 502 HB VAL 72 HB VAL 72 6.479 -0.935 -5.620 503 HG11 VAL 72 1HG1 VAL 72 4.579 -0.149 -3.558 504 HG12 VAL 72 2HG1 VAL 72 6.260 0.109 -3.086 505 HG13 VAL 72 3HG1 VAL 72 5.634 0.843 -4.563 506 HG21 VAL 72 1HG2 VAL 72 6.453 -2.756 -3.250 507 HG22 VAL 72 2HG2 VAL 72 7.585 -2.692 -4.601 508 HG23 VAL 72 3HG2 VAL 72 7.637 -1.453 -3.347 509 H ALA 73 H ALA 73 2.701 -0.804 -4.381 510 HA ALA 73 HA ALA 73 2.396 0.664 -6.862 511 HB1 ALA 73 1HB ALA 73 1.220 -1.621 -7.063 512 HB2 ALA 73 2HB ALA 73 0.027 -0.932 -5.961 513 HB3 ALA 73 3HB ALA 73 0.329 -0.170 -7.522 514 H LYS 74 H LYS 74 0.691 2.306 -6.726 515 HA LYS 74 HA LYS 74 0.071 3.043 -3.941 516 HB2 LYS 74 1HB LYS 74 0.376 5.388 -4.538 517 HB3 LYS 74 2HB LYS 74 1.846 4.476 -4.854 518 HG2 LYS 74 1HG LYS 74 1.308 4.404 -7.227 519 HG3 LYS 74 2HG LYS 74 -0.190 5.287 -6.921 520 HD2 LYS 74 1HD LYS 74 0.914 7.265 -6.471 521 HD3 LYS 74 2HD LYS 74 2.414 6.447 -6.026 522 HE2 LYS 74 1HE LYS 74 1.423 6.221 -8.827 523 HE3 LYS 74 2HE LYS 74 2.186 7.725 -8.315 524 HZ1 LYS 74 1HZ LYS 74 4.136 6.762 -8.638 525 HZ2 LYS 74 2HZ LYS 74 3.404 5.286 -9.020 526 HZ3 LYS 74 3HZ LYS 74 3.793 5.646 -7.413 527 H ILE 75 H ILE 75 -1.916 4.031 -3.550 528 HA ILE 75 HA ILE 75 -3.791 4.124 -5.815 529 HB ILE 75 HB ILE 75 -4.475 3.034 -3.083 530 HG12 ILE 75 1HG1 ILE 75 -4.392 1.425 -5.620 531 HG13 ILE 75 2HG1 ILE 75 -2.941 1.640 -4.648 532 HG21 ILE 75 1HG2 ILE 75 -6.076 4.055 -5.187 533 HG22 ILE 75 2HG2 ILE 75 -6.326 2.311 -5.114 534 HG23 ILE 75 3HG2 ILE 75 -6.595 3.301 -3.679 535 HD11 ILE 75 1HD1 ILE 75 -4.268 -0.460 -4.241 536 HD12 ILE 75 2HD1 ILE 75 -3.886 0.506 -2.815 537 HD13 ILE 75 3HD1 ILE 75 -5.504 0.568 -3.516 538 H ASP 76 H ASP 76 -5.214 5.798 -5.822 539 HA ASP 76 HA ASP 76 -4.748 7.906 -3.874 540 HB2 ASP 76 1HB ASP 76 -6.699 8.166 -6.129 541 HB3 ASP 76 2HB ASP 76 -5.640 9.383 -5.421 542 H ALA 77 H ALA 77 -5.771 7.111 -2.027 543 HA ALA 77 HA ALA 77 -8.171 5.918 -1.677 544 HB1 ALA 77 1HB ALA 77 -7.940 8.064 0.242 545 HB2 ALA 77 2HB ALA 77 -7.777 6.322 0.474 546 HB3 ALA 77 3HB ALA 77 -6.385 7.278 -0.035 547 H THR 78 H THR 78 -7.645 9.338 -2.363 548 HA THR 78 HA THR 78 -10.195 10.331 -1.924 549 HB THR 78 HB THR 78 -9.662 12.113 -3.501 550 HG1 THR 78 1HG THR 78 -7.239 10.824 -4.164 551 HG21 THR 78 1HG2 THR 78 -8.419 11.718 -1.198 552 HG22 THR 78 2HG2 THR 78 -7.969 13.046 -2.268 553 HG23 THR 78 3HG2 THR 78 -7.016 11.562 -2.254 554 H SER 79 H SER 79 -8.886 8.714 -4.786 555 HA SER 79 HA SER 79 -11.374 8.982 -6.235 556 HB2 SER 79 1HB SER 79 -8.887 8.855 -7.144 557 HB3 SER 79 2HB SER 79 -9.212 7.122 -7.127 558 HG SER 79 HG SER 79 -9.792 8.581 -9.067 559 H ALA 80 H ALA 80 -9.647 6.503 -4.442 560 HA ALA 80 HA ALA 80 -11.697 4.519 -5.068 561 HB1 ALA 80 1HB ALA 80 -9.566 3.575 -5.199 562 HB2 ALA 80 2HB ALA 80 -9.019 4.374 -3.725 563 HB3 ALA 80 3HB ALA 80 -10.173 3.043 -3.631 564 H SER 81 H SER 81 -13.502 4.748 -3.899 565 HA SER 81 HA SER 81 -13.383 5.657 -1.144 566 HB2 SER 81 1HB SER 81 -15.754 4.907 -2.872 567 HB3 SER 81 2HB SER 81 -15.849 5.627 -1.265 568 HG SER 81 HG SER 81 -14.358 7.281 -2.413 569 H MET 82 H MET 82 -14.574 2.804 -2.908 570 HA MET 82 HA MET 82 -15.385 1.296 -0.716 571 HB2 MET 82 1HB MET 82 -15.960 0.613 -2.951 572 HB3 MET 82 2HB MET 82 -14.266 0.416 -3.380 573 HG2 MET 82 1HG MET 82 -14.142 -1.382 -1.631 574 HG3 MET 82 2HG MET 82 -15.896 -1.269 -1.502 575 HE1 MET 82 1HE MET 82 -13.002 -2.903 -3.006 576 HE2 MET 82 2HE MET 82 -13.452 -3.434 -4.626 577 HE3 MET 82 3HE MET 82 -13.032 -1.745 -4.337 578 H LEU 83 H LEU 83 -12.264 1.113 -2.438 579 HA LEU 83 HA LEU 83 -11.020 -0.715 -0.759 580 HB2 LEU 83 1HB LEU 83 -9.805 1.573 -2.300 581 HB3 LEU 83 2HB LEU 83 -8.893 0.245 -1.584 582 HG LEU 83 HG LEU 83 -10.988 -0.127 -3.719 583 HD11 LEU 83 1HD1 LEU 83 -7.995 0.080 -4.007 584 HD12 LEU 83 2HD1 LEU 83 -9.181 1.244 -4.596 585 HD13 LEU 83 3HD1 LEU 83 -9.124 -0.380 -5.281 586 HD21 LEU 83 1HD2 LEU 83 -9.966 -2.317 -3.972 587 HD22 LEU 83 2HD2 LEU 83 -10.524 -2.084 -2.315 588 HD23 LEU 83 3HD2 LEU 83 -8.808 -1.943 -2.696 589 H ALA 84 H ALA 84 -11.002 2.836 -0.587 590 HA ALA 84 HA ALA 84 -9.315 3.210 1.557 591 HB1 ALA 84 1HB ALA 84 -9.871 5.287 0.996 592 HB2 ALA 84 2HB ALA 84 -11.355 4.743 0.212 593 HB3 ALA 84 3HB ALA 84 -11.345 5.079 1.943 594 H SER 85 H SER 85 -12.834 2.670 1.667 595 HA SER 85 HA SER 85 -13.045 2.710 4.478 596 HB2 SER 85 1HB SER 85 -14.775 1.814 2.224 597 HB3 SER 85 2HB SER 85 -15.167 1.218 3.837 598 HG SER 85 HG SER 85 -15.523 3.262 4.519 599 H LYS 86 H LYS 86 -12.242 0.188 2.196 600 HA LYS 86 HA LYS 86 -12.653 -2.085 3.726 601 HB2 LYS 86 1HB LYS 86 -11.751 -1.718 1.262 602 HB3 LYS 86 2HB LYS 86 -10.189 -1.905 2.049 603 HG2 LYS 86 1HG LYS 86 -10.956 -4.077 2.955 604 HG3 LYS 86 2HG LYS 86 -12.451 -3.892 2.035 605 HD2 LYS 86 1HD LYS 86 -11.390 -4.176 0.003 606 HD3 LYS 86 2HD LYS 86 -9.819 -3.678 0.636 607 HE2 LYS 86 1HE LYS 86 -9.534 -5.956 0.403 608 HE3 LYS 86 2HE LYS 86 -10.028 -5.826 2.090 609 HZ1 LYS 86 1HZ LYS 86 -11.644 -6.707 -0.225 610 HZ2 LYS 86 2HZ LYS 86 -12.361 -6.229 1.230 611 HZ3 LYS 86 3HZ LYS 86 -11.306 -7.551 1.202 612 H PHE 87 H PHE 87 -9.641 -0.192 3.454 613 HA PHE 87 HA PHE 87 -8.607 -1.537 5.832 614 HB2 PHE 87 1HB PHE 87 -7.213 0.461 4.040 615 HB3 PHE 87 2HB PHE 87 -6.465 -0.569 5.257 616 HD1 PHE 87 2HD PHE 87 -8.262 -0.618 2.021 617 HD2 PHE 87 1HD PHE 87 -5.752 -2.735 4.729 618 HE1 PHE 87 2HE PHE 87 -7.890 -2.352 0.316 619 HE2 PHE 87 1HE PHE 87 -5.375 -4.471 3.028 620 HZ PHE 87 HZ PHE 87 -6.446 -4.282 0.818 621 H ASP 88 H ASP 88 -10.783 0.512 5.855 622 HA ASP 88 HA ASP 88 -11.356 2.484 6.892 623 HB2 ASP 88 1HB ASP 88 -11.091 0.737 8.704 624 HB3 ASP 88 2HB ASP 88 -9.503 1.427 9.030 625 H VAL 89 H VAL 89 -9.310 2.980 5.091 626 HA VAL 89 HA VAL 89 -7.082 4.314 6.199 627 HB VAL 89 HB VAL 89 -8.386 4.700 3.500 628 HG11 VAL 89 1HG1 VAL 89 -6.555 6.358 4.670 629 HG12 VAL 89 2HG1 VAL 89 -5.525 5.243 3.771 630 HG13 VAL 89 3HG1 VAL 89 -6.780 6.156 2.933 631 HG21 VAL 89 1HG2 VAL 89 -7.537 2.717 2.976 632 HG22 VAL 89 2HG2 VAL 89 -5.922 3.327 3.334 633 HG23 VAL 89 3HG2 VAL 89 -6.870 2.547 4.600 634 H SER 90 H SER 90 -7.547 5.838 7.715 635 HA SER 90 HA SER 90 -9.209 8.111 6.843 636 HB2 SER 90 1HB SER 90 -9.955 8.437 9.072 637 HB3 SER 90 2HB SER 90 -10.077 6.700 8.791 638 HG SER 90 HG SER 90 -7.900 7.995 10.074 639 H GLY 91 H GLY 91 -6.480 7.923 6.209 640 HA2 GLY 91 1HA GLY 91 -5.534 10.422 7.023 641 HA3 GLY 91 2HA GLY 91 -4.792 9.218 8.065 642 H TYR 92 H TYR 92 -3.052 10.604 6.691 643 HA TYR 92 HA TYR 92 -1.835 8.668 4.974 644 HB2 TYR 92 1HB TYR 92 -2.249 11.271 3.577 645 HB3 TYR 92 2HB TYR 92 -2.000 9.663 2.904 646 HD1 TYR 92 2HD TYR 92 -4.517 11.724 4.717 647 HD2 TYR 92 1HD TYR 92 -3.817 8.439 2.105 648 HE1 TYR 92 2HE TYR 92 -6.939 11.514 4.341 649 HE2 TYR 92 1HE TYR 92 -6.236 8.221 1.721 650 HH TYR 92 HH TYR 92 -8.243 9.354 1.928 651 HA PRO 93 HA PRO 93 -0.169 8.830 3.344 652 HB2 PRO 93 1HB PRO 93 2.239 7.652 3.768 653 HB3 PRO 93 2HB PRO 93 2.054 9.160 2.865 654 HG2 PRO 93 1HG PRO 93 2.864 8.747 5.718 655 HG3 PRO 93 2HG PRO 93 3.545 9.853 4.510 656 HD2 PRO 93 1HD PRO 93 1.813 10.672 6.423 657 HD3 PRO 93 2HD PRO 93 1.873 11.410 4.809 658 H THR 94 H THR 94 -0.590 6.622 3.308 659 HA THR 94 HA THR 94 -0.453 5.188 5.869 660 HB THR 94 HB THR 94 -2.881 5.385 4.083 661 HG1 THR 94 1HG THR 94 -2.793 7.035 5.598 662 HG21 THR 94 1HG2 THR 94 -2.089 3.353 6.104 663 HG22 THR 94 2HG2 THR 94 -3.050 3.173 4.636 664 HG23 THR 94 3HG2 THR 94 -3.771 3.880 6.082 665 H ILE 95 H ILE 95 0.665 3.382 5.597 666 HA ILE 95 HA ILE 95 0.728 2.135 2.937 667 HB ILE 95 HB ILE 95 2.621 1.797 5.266 668 HG12 ILE 95 1HG1 ILE 95 3.396 2.926 2.610 669 HG13 ILE 95 2HG1 ILE 95 2.533 3.960 3.743 670 HG21 ILE 95 1HG2 ILE 95 2.155 0.181 2.925 671 HG22 ILE 95 2HG2 ILE 95 3.796 0.824 2.934 672 HG23 ILE 95 3HG2 ILE 95 3.211 -0.118 4.305 673 HD11 ILE 95 1HD1 ILE 95 5.010 2.470 4.530 674 HD12 ILE 95 2HD1 ILE 95 5.066 4.059 3.766 675 HD13 ILE 95 3HD1 ILE 95 4.257 3.855 5.320 676 H LYS 96 H LYS 96 0.117 0.053 2.619 677 HA LYS 96 HA LYS 96 -0.597 -1.583 4.940 678 HB2 LYS 96 1HB LYS 96 -2.438 -0.894 2.649 679 HB3 LYS 96 2HB LYS 96 -2.721 -2.248 3.735 680 HG2 LYS 96 1HG LYS 96 -2.374 0.545 4.765 681 HG3 LYS 96 2HG LYS 96 -3.939 -0.060 4.215 682 HD2 LYS 96 1HD LYS 96 -3.575 -2.003 5.816 683 HD3 LYS 96 2HD LYS 96 -2.245 -1.059 6.493 684 HE2 LYS 96 1HE LYS 96 -3.641 0.502 7.409 685 HE3 LYS 96 2HE LYS 96 -4.882 0.273 6.178 686 HZ1 LYS 96 1HZ LYS 96 -5.957 -1.009 7.605 687 HZ2 LYS 96 2HZ LYS 96 -4.711 -0.882 8.741 688 HZ3 LYS 96 3HZ LYS 96 -4.676 -2.114 7.583 689 H ILE 97 H ILE 97 -0.930 -3.866 4.385 690 HA ILE 97 HA ILE 97 0.430 -4.648 1.894 691 HB ILE 97 HB ILE 97 0.853 -5.904 4.609 692 HG12 ILE 97 1HG1 ILE 97 3.030 -4.699 2.953 693 HG13 ILE 97 2HG1 ILE 97 1.979 -3.627 3.872 694 HG21 ILE 97 1HG2 ILE 97 0.863 -7.292 2.356 695 HG22 ILE 97 2HG2 ILE 97 2.487 -6.616 2.234 696 HG23 ILE 97 3HG2 ILE 97 2.040 -7.590 3.635 697 HD11 ILE 97 1HD1 ILE 97 2.808 -4.306 5.871 698 HD12 ILE 97 2HD1 ILE 97 3.174 -5.933 5.295 699 HD13 ILE 97 3HD1 ILE 97 4.228 -4.587 4.864 700 H LEU 98 H LEU 98 -0.669 -6.066 0.710 701 HA LEU 98 HA LEU 98 -3.044 -7.313 1.862 702 HB2 LEU 98 1HB LEU 98 -2.900 -6.009 -0.385 703 HB3 LEU 98 2HB LEU 98 -2.246 -7.520 -1.013 704 HG LEU 98 HG LEU 98 -4.335 -8.658 -0.279 705 HD11 LEU 98 1HD1 LEU 98 -4.744 -6.259 1.117 706 HD12 LEU 98 2HD1 LEU 98 -5.826 -7.648 1.012 707 HD13 LEU 98 3HD1 LEU 98 -5.983 -6.319 -0.137 708 HD21 LEU 98 1HD2 LEU 98 -3.852 -7.504 -2.580 709 HD22 LEU 98 2HD2 LEU 98 -5.133 -6.407 -2.065 710 HD23 LEU 98 3HD2 LEU 98 -5.458 -8.134 -2.213 711 H LYS 99 H LYS 99 -3.059 -9.362 2.483 712 HA LYS 99 HA LYS 99 -1.007 -11.176 1.393 713 HB2 LYS 99 1HB LYS 99 -0.908 -10.522 3.882 714 HB3 LYS 99 2HB LYS 99 -2.336 -11.532 4.070 715 HG2 LYS 99 1HG LYS 99 -0.432 -12.836 4.645 716 HG3 LYS 99 2HG LYS 99 -1.040 -13.425 3.096 717 HD2 LYS 99 1HD LYS 99 0.682 -12.176 1.921 718 HD3 LYS 99 2HD LYS 99 1.263 -11.505 3.447 719 HE2 LYS 99 1HE LYS 99 2.697 -13.322 2.791 720 HE3 LYS 99 2HE LYS 99 1.771 -13.806 4.211 721 HZ1 LYS 99 1HZ LYS 99 1.707 -14.860 1.515 722 HZ2 LYS 99 2HZ LYS 99 0.189 -14.660 2.234 723 HZ3 LYS 99 3HZ LYS 99 1.360 -15.622 2.985 724 H LYS 100 H LYS 100 -2.103 -12.205 -0.200 725 HA LYS 100 HA LYS 100 -3.656 -13.506 -1.248 726 HB2 LYS 100 1HB LYS 100 -3.891 -14.680 1.530 727 HB3 LYS 100 2HB LYS 100 -4.445 -15.448 0.047 728 HG2 LYS 100 1HG LYS 100 -2.018 -15.264 -0.738 729 HG3 LYS 100 2HG LYS 100 -1.636 -14.931 0.953 730 HD2 LYS 100 1HD LYS 100 -2.250 -17.049 1.645 731 HD3 LYS 100 2HD LYS 100 -3.308 -17.308 0.256 732 HE2 LYS 100 1HE LYS 100 -1.290 -18.680 0.112 733 HE3 LYS 100 2HE LYS 100 -1.366 -17.507 -1.201 734 HZ1 LYS 100 1HZ LYS 100 0.799 -17.323 -0.488 735 HZ2 LYS 100 2HZ LYS 100 0.413 -17.550 1.143 736 HZ3 LYS 100 3HZ LYS 100 0.059 -16.078 0.387 737 H GLY 101 H GLY 101 -4.581 -10.995 0.081 738 HA2 GLY 101 1HA GLY 101 -6.783 -10.114 -0.360 739 HA3 GLY 101 2HA GLY 101 -7.448 -11.677 0.089 740 H GLN 102 H GLN 102 -4.964 -10.772 2.166 741 HA GLN 102 HA GLN 102 -6.931 -9.937 4.183 742 HB2 GLN 102 1HB GLN 102 -4.350 -11.437 4.319 743 HB3 GLN 102 2HB GLN 102 -4.869 -10.511 5.721 744 HG2 GLN 102 1HG GLN 102 -6.433 -12.700 4.371 745 HG3 GLN 102 2HG GLN 102 -5.547 -12.838 5.889 746 HE21 GLN 102 1HE2 GLN 102 -8.483 -12.956 4.986 747 HE22 GLN 102 2HE2 GLN 102 -9.296 -11.984 6.159 748 H ALA 103 H ALA 103 -6.620 -8.113 5.420 749 HA ALA 103 HA ALA 103 -4.716 -6.181 4.323 750 HB1 ALA 103 1HB ALA 103 -7.231 -5.933 5.927 751 HB2 ALA 103 2HB ALA 103 -6.085 -4.595 5.836 752 HB3 ALA 103 3HB ALA 103 -6.828 -5.221 4.364 753 H VAL 104 H VAL 104 -2.859 -5.814 5.326 754 HA VAL 104 HA VAL 104 -2.655 -6.447 8.197 755 HB VAL 104 HB VAL 104 -0.465 -6.358 6.116 756 HG11 VAL 104 1HG1 VAL 104 0.090 -5.657 8.518 757 HG12 VAL 104 2HG1 VAL 104 -0.186 -7.350 8.934 758 HG13 VAL 104 3HG1 VAL 104 1.077 -6.918 7.780 759 HG21 VAL 104 1HG2 VAL 104 -0.714 -8.560 5.825 760 HG22 VAL 104 2HG2 VAL 104 -0.927 -8.854 7.551 761 HG23 VAL 104 3HG2 VAL 104 -2.301 -8.352 6.566 762 H ASP 105 H ASP 105 -3.107 -4.542 9.185 763 HA ASP 105 HA ASP 105 -2.433 -1.987 8.273 764 HB2 ASP 105 1HB ASP 105 -4.103 -2.282 9.995 765 HB3 ASP 105 2HB ASP 105 -2.913 -2.988 11.085 766 H TYR 106 H TYR 106 -0.615 -0.822 8.298 767 HA TYR 106 HA TYR 106 1.750 -2.010 9.565 768 HB2 TYR 106 1HB TYR 106 1.933 -1.596 7.162 769 HB3 TYR 106 2HB TYR 106 1.536 0.101 7.408 770 HD1 TYR 106 1HD TYR 106 3.155 1.599 8.536 771 HD2 TYR 106 2HD TYR 106 4.142 -2.421 7.552 772 HE1 TYR 106 1HE TYR 106 5.541 2.120 8.827 773 HE2 TYR 106 2HE TYR 106 6.530 -1.912 7.842 774 HH TYR 106 HH TYR 106 7.633 0.970 9.295 775 H ASP 107 H ASP 107 2.798 -1.029 11.187 776 HA ASP 107 HA ASP 107 2.315 1.795 11.741 777 HB2 ASP 107 1HB ASP 107 0.623 0.464 13.033 778 HB3 ASP 107 2HB ASP 107 1.959 -0.310 13.881 779 H GLY 108 H GLY 108 4.278 2.656 11.834 780 HA2 GLY 108 1HA GLY 108 6.185 2.121 13.748 781 HA3 GLY 108 2HA GLY 108 6.619 1.112 12.377 782 H SER 109 H SER 109 8.596 2.487 12.538 783 HA SER 109 HA SER 109 8.422 5.236 11.757 784 HB2 SER 109 1HB SER 109 10.761 3.327 11.945 785 HB3 SER 109 2HB SER 109 10.923 5.034 11.532 786 HG SER 109 HG SER 109 9.494 4.367 13.838 787 H ARG 110 H ARG 110 7.403 5.431 9.799 788 HA ARG 110 HA ARG 110 7.631 3.870 7.554 789 HB2 ARG 110 1HB ARG 110 6.143 5.931 7.992 790 HB3 ARG 110 2HB ARG 110 7.487 6.868 7.354 791 HG2 ARG 110 1HG ARG 110 7.361 5.589 5.259 792 HG3 ARG 110 2HG ARG 110 5.975 4.705 5.903 793 HD2 ARG 110 1HD ARG 110 5.899 7.683 5.884 794 HD3 ARG 110 2HD ARG 110 5.657 6.820 4.366 795 HE ARG 110 HE ARG 110 3.623 6.052 5.146 796 HH11 ARG 110 2HH1 ARG 110 5.374 7.642 7.700 797 HH12 ARG 110 1HH1 ARG 110 4.016 7.698 8.774 798 HH21 ARG 110 2HH2 ARG 110 1.828 6.119 6.551 799 HH22 ARG 110 1HH2 ARG 110 1.999 6.830 8.119 800 H THR 111 H THR 111 9.659 3.110 7.088 801 HA THR 111 HA THR 111 11.485 5.048 5.874 802 HB THR 111 HB THR 111 13.403 3.643 6.919 803 HG1 THR 111 1HG THR 111 11.567 3.306 9.037 804 HG21 THR 111 1HG2 THR 111 13.390 5.097 8.952 805 HG22 THR 111 2HG2 THR 111 11.765 5.619 8.507 806 HG23 THR 111 3HG2 THR 111 13.127 5.970 7.443 807 H GLN 112 H GLN 112 13.159 3.987 4.528 808 HA GLN 112 HA GLN 112 11.987 2.067 2.811 809 HB2 GLN 112 1HB GLN 112 13.580 3.713 1.983 810 HB3 GLN 112 2HB GLN 112 14.845 3.035 3.001 811 HG2 GLN 112 1HG GLN 112 14.740 0.946 1.743 812 HG3 GLN 112 2HG GLN 112 13.472 1.625 0.723 813 HE21 GLN 112 1HE2 GLN 112 14.039 3.581 -0.495 814 HE22 GLN 112 2HE2 GLN 112 15.651 3.738 -1.096 815 H GLU 113 H GLU 113 14.019 1.824 5.602 816 HA GLU 113 HA GLU 113 14.807 -0.909 5.051 817 HB2 GLU 113 1HB GLU 113 16.142 -0.782 6.977 818 HB3 GLU 113 2HB GLU 113 16.216 0.835 6.291 819 HG2 GLU 113 1HG GLU 113 14.720 1.691 7.915 820 HG3 GLU 113 2HG GLU 113 14.306 0.074 8.480 821 H GLU 114 H GLU 114 12.528 0.815 7.106 822 HA GLU 114 HA GLU 114 11.687 -1.519 8.538 823 HB2 GLU 114 1HB GLU 114 10.567 1.269 8.293 824 HB3 GLU 114 2HB GLU 114 9.770 0.015 9.233 825 HG2 GLU 114 1HG GLU 114 12.583 0.983 9.690 826 HG3 GLU 114 2HG GLU 114 11.167 1.518 10.594 827 H ILE 115 H ILE 115 10.064 0.545 6.122 828 HA ILE 115 HA ILE 115 7.796 -0.999 5.750 829 HB ILE 115 HB ILE 115 9.255 0.656 3.687 830 HG12 ILE 115 1HG1 ILE 115 6.795 1.485 5.193 831 HG13 ILE 115 2HG1 ILE 115 8.384 1.680 5.924 832 HG21 ILE 115 1HG2 ILE 115 7.107 -1.113 3.339 833 HG22 ILE 115 2HG2 ILE 115 6.415 0.509 3.321 834 HG23 ILE 115 3HG2 ILE 115 7.709 0.090 2.198 835 HD11 ILE 115 1HD1 ILE 115 8.809 3.490 4.717 836 HD12 ILE 115 2HD1 ILE 115 8.296 2.709 3.221 837 HD13 ILE 115 3HD1 ILE 115 7.103 3.472 4.271 838 H VAL 116 H VAL 116 10.997 -1.345 4.329 839 HA VAL 116 HA VAL 116 10.212 -3.412 2.497 840 HB VAL 116 HB VAL 116 12.874 -2.320 3.366 841 HG11 VAL 116 1HG1 VAL 116 12.284 -4.840 1.895 842 HG12 VAL 116 2HG1 VAL 116 13.670 -3.870 1.393 843 HG13 VAL 116 3HG1 VAL 116 13.570 -4.479 3.046 844 HG21 VAL 116 1HG2 VAL 116 11.378 -2.359 0.748 845 HG22 VAL 116 2HG2 VAL 116 11.655 -0.964 1.791 846 HG23 VAL 116 3HG2 VAL 116 13.011 -1.727 0.960 847 H ALA 117 H ALA 117 11.424 -3.263 5.763 848 HA ALA 117 HA ALA 117 12.252 -5.974 5.966 849 HB1 ALA 117 1HB ALA 117 11.621 -3.838 7.972 850 HB2 ALA 117 2HB ALA 117 11.989 -5.488 8.475 851 HB3 ALA 117 3HB ALA 117 13.179 -4.557 7.567 852 H LYS 118 H LYS 118 9.360 -4.304 7.229 853 HA LYS 118 HA LYS 118 8.038 -6.566 8.175 854 HB2 LYS 118 1HB LYS 118 7.225 -4.444 8.848 855 HB3 LYS 118 2HB LYS 118 7.026 -3.907 7.185 856 HG2 LYS 118 1HG LYS 118 4.866 -4.344 8.066 857 HG3 LYS 118 2HG LYS 118 5.242 -5.634 6.921 858 HD2 LYS 118 1HD LYS 118 4.289 -6.698 8.802 859 HD3 LYS 118 2HD LYS 118 6.027 -6.986 8.918 860 HE2 LYS 118 1HE LYS 118 5.296 -6.386 11.090 861 HE3 LYS 118 2HE LYS 118 6.141 -4.982 10.440 862 HZ1 LYS 118 1HZ LYS 118 4.082 -4.357 11.542 863 HZ2 LYS 118 2HZ LYS 118 3.194 -5.344 10.494 864 HZ3 LYS 118 3HZ LYS 118 4.012 -3.991 9.892 865 H VAL 119 H VAL 119 7.288 -4.820 5.152 866 HA VAL 119 HA VAL 119 5.514 -6.542 4.019 867 HB VAL 119 HB VAL 119 7.732 -5.109 2.551 868 HG11 VAL 119 1HG1 VAL 119 6.182 -7.012 1.476 869 HG12 VAL 119 2HG1 VAL 119 5.117 -5.620 1.274 870 HG13 VAL 119 3HG1 VAL 119 6.737 -5.600 0.578 871 HG21 VAL 119 1HG2 VAL 119 4.939 -4.097 2.709 872 HG22 VAL 119 2HG2 VAL 119 5.995 -3.872 4.103 873 HG23 VAL 119 3HG2 VAL 119 6.453 -3.210 2.534 874 H ARG 120 H ARG 120 9.053 -6.728 3.636 875 HA ARG 120 HA ARG 120 9.124 -9.042 2.080 876 HB2 ARG 120 1HB ARG 120 11.079 -7.732 3.936 877 HB3 ARG 120 2HB ARG 120 11.457 -9.300 3.236 878 HG2 ARG 120 1HG ARG 120 11.109 -8.319 0.984 879 HG3 ARG 120 2HG ARG 120 10.894 -6.744 1.751 880 HD2 ARG 120 1HD ARG 120 13.125 -6.653 1.241 881 HD3 ARG 120 2HD ARG 120 13.197 -7.333 2.866 882 HE ARG 120 HE ARG 120 13.073 -9.497 1.188 883 HH11 ARG 120 2HH1 ARG 120 15.184 -6.756 1.579 884 HH12 ARG 120 1HH1 ARG 120 16.590 -7.593 1.009 885 HH21 ARG 120 2HH2 ARG 120 14.917 -10.609 0.435 886 HH22 ARG 120 1HH2 ARG 120 16.437 -9.784 0.358 887 H GLU 121 H GLU 121 8.698 -8.616 5.512 888 HA GLU 121 HA GLU 121 9.206 -11.363 6.182 889 HB2 GLU 121 1HB GLU 121 9.619 -9.734 7.882 890 HB3 GLU 121 2HB GLU 121 8.002 -9.064 7.719 891 HG2 GLU 121 1HG GLU 121 7.735 -10.298 9.610 892 HG3 GLU 121 2HG GLU 121 7.275 -11.492 8.397 893 H VAL 122 H VAL 122 6.300 -9.332 5.915 894 HA VAL 122 HA VAL 122 4.412 -11.287 6.566 895 HB VAL 122 HB VAL 122 4.053 -8.979 4.648 896 HG11 VAL 122 1HG1 VAL 122 2.268 -11.040 5.626 897 HG12 VAL 122 2HG1 VAL 122 1.691 -9.421 6.029 898 HG13 VAL 122 3HG1 VAL 122 2.024 -9.848 4.350 899 HG21 VAL 122 1HG2 VAL 122 2.940 -8.134 6.939 900 HG22 VAL 122 2HG2 VAL 122 4.234 -9.138 7.593 901 HG23 VAL 122 3HG2 VAL 122 4.617 -7.807 6.502 902 H SER 123 H SER 123 5.677 -10.314 3.389 903 HA SER 123 HA SER 123 4.159 -11.856 1.718 904 HB2 SER 123 1HB SER 123 5.840 -11.612 0.105 905 HB3 SER 123 2HB SER 123 6.131 -10.251 1.188 906 HG SER 123 HG SER 123 7.782 -11.440 2.164 907 H GLN 124 H GLN 124 6.724 -12.896 3.854 908 HA GLN 124 HA GLN 124 7.312 -15.401 2.839 909 HB2 GLN 124 1HB GLN 124 7.088 -14.632 5.754 910 HB3 GLN 124 2HB GLN 124 7.963 -16.019 5.119 911 HG2 GLN 124 1HG GLN 124 8.601 -13.129 4.569 912 HG3 GLN 124 2HG GLN 124 9.465 -14.190 5.680 913 HE21 GLN 124 1HE2 GLN 124 9.087 -13.166 2.452 914 HE22 GLN 124 2HE2 GLN 124 10.273 -14.201 1.739 915 HA PRO 125 HA PRO 125 3.587 -17.719 3.227 916 HB2 PRO 125 1HB PRO 125 4.652 -20.215 3.170 917 HB3 PRO 125 2HB PRO 125 4.530 -19.190 1.736 918 HG2 PRO 125 1HG PRO 125 6.886 -19.686 3.515 919 HG3 PRO 125 2HG PRO 125 6.818 -19.604 1.745 920 HD2 PRO 125 1HD PRO 125 7.681 -17.538 3.266 921 HD3 PRO 125 2HD PRO 125 6.833 -17.300 1.725 922 H ASP 126 H ASP 126 6.252 -18.108 5.446 923 HA ASP 126 HA ASP 126 4.771 -19.745 7.303 924 HB2 ASP 126 1HB ASP 126 7.434 -18.331 7.544 925 HB3 ASP 126 2HB ASP 126 6.756 -19.386 8.781 926 H TRP 127 H TRP 127 5.700 -16.355 7.012 927 HA TRP 127 HA TRP 127 5.072 -15.348 9.469 928 HB2 TRP 127 1HB TRP 127 5.931 -13.875 7.802 929 HB3 TRP 127 2HB TRP 127 4.564 -14.178 6.734 930 HD1 TRP 127 HD TRP 127 5.697 -11.954 9.549 931 HE1 TRP 127 1HE TRP 127 3.858 -10.234 10.082 932 HE3 TRP 127 3HE TRP 127 1.896 -13.943 6.769 933 HZ2 TRP 127 2HZ TRP 127 1.153 -9.781 9.413 934 HZ3 TRP 127 3HZ TRP 127 -0.286 -12.806 6.770 935 HH2 TRP 127 HH TRP 127 -0.648 -10.769 8.066 936 H THR 128 H THR 128 3.213 -14.508 10.465 937 HA THR 128 HA THR 128 0.624 -15.167 9.275 938 HB THR 128 HB THR 128 -0.152 -16.144 11.450 939 HG1 THR 128 1HG THR 128 2.558 -15.737 12.037 940 HG21 THR 128 1HG2 THR 128 1.426 -18.281 11.095 941 HG22 THR 128 2HG2 THR 128 1.786 -17.410 9.604 942 HG23 THR 128 3HG2 THR 128 0.124 -17.858 9.984 943 HA PRO 129 HA PRO 129 -0.549 -11.285 10.977 944 HB2 PRO 129 1HB PRO 129 -3.234 -11.645 11.142 945 HB3 PRO 129 2HB PRO 129 -2.390 -11.401 9.608 946 HG2 PRO 129 1HG PRO 129 -3.330 -13.948 10.870 947 HG3 PRO 129 2HG PRO 129 -3.438 -13.432 9.177 948 HD2 PRO 129 1HD PRO 129 -1.542 -15.153 10.057 949 HD3 PRO 129 2HD PRO 129 -1.252 -14.010 8.730 950 HA PRO 130 HA PRO 130 -0.776 -11.812 15.356 951 HB2 PRO 130 1HB PRO 130 -1.516 -9.289 16.034 952 HB3 PRO 130 2HB PRO 130 0.119 -9.701 15.502 953 HG2 PRO 130 1HG PRO 130 -2.134 -8.496 13.941 954 HG3 PRO 130 2HG PRO 130 -0.415 -8.061 13.941 955 HD2 PRO 130 1HD PRO 130 -1.533 -9.583 12.001 956 HD3 PRO 130 2HD PRO 130 0.151 -9.789 12.524 957 HA PRO 131 HA PRO 131 -5.002 -12.679 16.288 958 HB2 PRO 131 1HB PRO 131 -4.825 -12.795 18.994 959 HB3 PRO 131 2HB PRO 131 -4.198 -14.064 17.935 960 HG2 PRO 131 1HG PRO 131 -2.734 -11.827 19.283 961 HG3 PRO 131 2HG PRO 131 -2.266 -13.529 19.114 962 HD2 PRO 131 1HD PRO 131 -1.256 -11.577 17.533 963 HD3 PRO 131 2HD PRO 131 -1.508 -13.237 16.957 964 H GLU 132 H GLU 132 -5.654 -10.511 15.524 965 HA GLU 132 HA GLU 132 -5.991 -8.495 17.606 966 HB2 GLU 132 1HB GLU 132 -5.193 -7.717 15.447 967 HB3 GLU 132 2HB GLU 132 -6.584 -8.430 14.643 968 HG2 GLU 132 1HG GLU 132 -6.956 -6.092 14.809 969 HG3 GLU 132 2HG GLU 132 -8.042 -6.891 15.943 970 H VAL 133 H VAL 133 -7.547 -9.579 18.884 971 HA VAL 133 HA VAL 133 -9.940 -10.687 18.012 972 HB VAL 133 HB VAL 133 -9.139 -10.939 20.307 973 HG11 VAL 133 1HG1 VAL 133 -10.135 -8.464 21.397 974 HG12 VAL 133 2HG1 VAL 133 -8.555 -9.225 21.597 975 HG13 VAL 133 3HG1 VAL 133 -8.856 -8.164 20.220 976 HG21 VAL 133 1HG2 VAL 133 -11.431 -11.435 20.026 977 HG22 VAL 133 2HG2 VAL 133 -11.333 -10.438 21.477 978 HG23 VAL 133 3HG2 VAL 133 -11.870 -9.728 19.955 979 H THR 134 H THR 134 -11.892 -9.908 17.435 980 HA THR 134 HA THR 134 -12.589 -7.131 17.900 981 HB THR 134 HB THR 134 -11.359 -6.900 15.831 982 HG1 THR 134 1HG THR 134 -13.376 -6.421 14.438 983 HG21 THR 134 1HG2 THR 134 -11.680 -9.337 15.175 984 HG22 THR 134 2HG2 THR 134 -11.772 -8.154 13.870 985 HG23 THR 134 3HG2 THR 134 -13.249 -8.851 14.534 986 H SER 135 H SER 135 -14.723 -6.904 18.201 987 HA SER 135 HA SER 135 -16.402 -9.244 17.993 988 HB2 SER 135 1HB SER 135 -16.819 -6.463 19.080 989 HB3 SER 135 2HB SER 135 -18.149 -7.614 18.944 990 HG SER 135 HG SER 135 -16.733 -7.466 20.979 991 H GLY 136 H GLY 136 -18.704 -8.905 17.145 992 HA2 GLY 136 1HA GLY 136 -18.460 -7.918 14.410 993 HA3 GLY 136 2HA GLY 136 -19.751 -8.930 15.041 994 HA PRO 137 HA PRO 137 -21.004 -4.365 14.713 995 HB2 PRO 137 1HB PRO 137 -22.725 -4.611 12.628 996 HB3 PRO 137 2HB PRO 137 -21.009 -4.244 12.419 997 HG2 PRO 137 1HG PRO 137 -22.433 -6.864 12.153 998 HG3 PRO 137 2HG PRO 137 -21.175 -6.164 11.117 999 HD2 PRO 137 1HD PRO 137 -20.642 -8.060 12.975 1000 HD3 PRO 137 2HD PRO 137 -19.475 -6.795 12.538 1001 H SER 138 H SER 138 -22.528 -3.896 16.157 1002 HA SER 138 HA SER 138 -24.192 -5.489 17.502 1003 HB2 SER 138 1HB SER 138 -25.062 -2.759 16.528 1004 HB3 SER 138 2HB SER 138 -25.616 -3.588 17.982 1005 HG SER 138 HG SER 138 -23.942 -2.826 18.979 1006 H SER 139 H SER 139 -26.326 -6.241 17.381 1007 HA SER 139 HA SER 139 -27.131 -7.250 14.895 1008 HB2 SER 139 1HB SER 139 -28.491 -7.014 17.567 1009 HB3 SER 139 2HB SER 139 -29.360 -7.648 16.169 1010 HG SER 139 HG SER 139 -27.221 -8.984 16.066 1011 H GLY 140 H GLY 140 -27.455 -5.748 13.311 1012 HA2 GLY 140 1HA GLY 140 -29.841 -4.654 12.754 1013 HA3 GLY 140 2HA GLY 140 -29.133 -3.432 13.800 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -4.115 -19.875 -14.800 2 HA2 GLY 1 1HA GLY 1 -5.777 -17.770 -14.439 3 HA3 GLY 1 2HA GLY 1 -4.935 -17.341 -15.921 4 H SER 2 H SER 2 -7.568 -18.946 -14.628 5 HA SER 2 HA SER 2 -8.034 -20.340 -17.182 6 HB2 SER 2 1HB SER 2 -9.301 -22.056 -15.932 7 HB3 SER 2 2HB SER 2 -7.614 -21.988 -15.422 8 HG SER 2 HG SER 2 -9.844 -21.606 -13.964 9 H SER 3 H SER 3 -9.443 -19.065 -18.214 10 HA SER 3 HA SER 3 -12.112 -18.844 -17.343 11 HB2 SER 3 1HB SER 3 -12.269 -16.423 -16.986 12 HB3 SER 3 2HB SER 3 -11.175 -17.153 -15.811 13 HG SER 3 HG SER 3 -10.562 -15.130 -17.129 14 H GLY 4 H GLY 4 -13.428 -17.453 -18.833 15 HA2 GLY 4 1HA GLY 4 -12.302 -17.677 -21.532 16 HA3 GLY 4 2HA GLY 4 -14.009 -17.554 -21.133 17 H SER 5 H SER 5 -11.335 -15.506 -20.038 18 HA SER 5 HA SER 5 -11.850 -13.374 -21.825 19 HB2 SER 5 1HB SER 5 -12.881 -11.782 -20.252 20 HB3 SER 5 2HB SER 5 -13.928 -13.173 -20.533 21 HG SER 5 HG SER 5 -13.687 -13.772 -18.516 22 H SER 6 H SER 6 -10.348 -11.726 -21.633 23 HA SER 6 HA SER 6 -8.452 -11.918 -19.393 24 HB2 SER 6 1HB SER 6 -7.840 -11.919 -22.342 25 HB3 SER 6 2HB SER 6 -6.651 -11.368 -21.162 26 HG SER 6 HG SER 6 -6.202 -13.396 -20.911 27 H GLY 7 H GLY 7 -10.529 -10.083 -19.531 28 HA2 GLY 7 1HA GLY 7 -10.957 -7.833 -19.370 29 HA3 GLY 7 2HA GLY 7 -9.235 -7.663 -19.062 30 H ASP 8 H ASP 8 -11.693 -7.765 -21.581 31 HA ASP 8 HA ASP 8 -9.926 -7.048 -23.701 32 HB2 ASP 8 1HB ASP 8 -12.144 -6.461 -24.866 33 HB3 ASP 8 2HB ASP 8 -11.888 -8.139 -24.392 34 H ASP 9 H ASP 9 -8.778 -5.228 -23.043 35 HA ASP 9 HA ASP 9 -8.357 -3.023 -22.616 36 HB2 ASP 9 1HB ASP 9 -10.750 -2.529 -24.391 37 HB3 ASP 9 2HB ASP 9 -9.341 -1.494 -24.170 38 H ASP 10 H ASP 10 -9.853 -4.176 -20.591 39 HA ASP 10 HA ASP 10 -11.585 -1.932 -19.786 40 HB2 ASP 10 1HB ASP 10 -12.646 -4.291 -20.292 41 HB3 ASP 10 2HB ASP 10 -12.035 -4.677 -18.686 42 H LEU 11 H LEU 11 -9.682 -4.667 -18.524 43 HA LEU 11 HA LEU 11 -9.171 -3.139 -16.078 44 HB2 LEU 11 1HB LEU 11 -8.457 -6.001 -16.691 45 HB3 LEU 11 2HB LEU 11 -8.397 -5.206 -15.120 46 HG LEU 11 HG LEU 11 -11.018 -5.379 -16.526 47 HD11 LEU 11 1HD1 LEU 11 -10.064 -7.631 -16.736 48 HD12 LEU 11 2HD1 LEU 11 -11.431 -7.590 -15.623 49 HD13 LEU 11 3HD1 LEU 11 -9.785 -7.665 -14.994 50 HD21 LEU 11 1HD2 LEU 11 -11.901 -5.307 -14.355 51 HD22 LEU 11 2HD2 LEU 11 -10.552 -4.171 -14.330 52 HD23 LEU 11 3HD2 LEU 11 -10.366 -5.776 -13.621 53 H GLU 12 H GLU 12 -7.666 -1.654 -16.906 54 HA GLU 12 HA GLU 12 -5.113 -2.796 -17.816 55 HB2 GLU 12 1HB GLU 12 -6.307 -1.113 -19.277 56 HB3 GLU 12 2HB GLU 12 -5.993 0.083 -18.028 57 HG2 GLU 12 1HG GLU 12 -3.599 -0.239 -18.297 58 HG3 GLU 12 2HG GLU 12 -3.893 -1.474 -19.520 59 H VAL 13 H VAL 13 -3.140 -1.634 -17.088 60 HA VAL 13 HA VAL 13 -3.364 -0.253 -14.534 61 HB VAL 13 HB VAL 13 -1.841 -2.844 -14.836 62 HG11 VAL 13 1HG1 VAL 13 -0.410 -1.997 -13.354 63 HG12 VAL 13 2HG1 VAL 13 -1.418 -0.574 -13.083 64 HG13 VAL 13 3HG1 VAL 13 -1.728 -2.060 -12.184 65 HG21 VAL 13 1HG2 VAL 13 -4.304 -2.986 -14.412 66 HG22 VAL 13 2HG2 VAL 13 -3.300 -3.716 -13.159 67 HG23 VAL 13 3HG2 VAL 13 -4.031 -2.133 -12.892 68 H LYS 14 H LYS 14 -1.757 1.192 -14.203 69 HA LYS 14 HA LYS 14 0.413 1.248 -16.196 70 HB2 LYS 14 1HB LYS 14 -0.922 3.524 -14.722 71 HB3 LYS 14 2HB LYS 14 0.490 3.706 -15.755 72 HG2 LYS 14 1HG LYS 14 -0.770 2.993 -17.680 73 HG3 LYS 14 2HG LYS 14 -2.178 2.652 -16.672 74 HD2 LYS 14 1HD LYS 14 -2.365 5.005 -16.097 75 HD3 LYS 14 2HD LYS 14 -0.911 5.368 -17.029 76 HE2 LYS 14 1HE LYS 14 -1.971 5.080 -19.049 77 HE3 LYS 14 2HE LYS 14 -3.183 3.990 -18.378 78 HZ1 LYS 14 1HZ LYS 14 -3.527 6.437 -17.122 79 HZ2 LYS 14 2HZ LYS 14 -4.548 5.711 -18.258 80 HZ3 LYS 14 3HZ LYS 14 -3.340 6.780 -18.769 81 H GLU 15 H GLU 15 2.235 2.843 -15.224 82 HA GLU 15 HA GLU 15 2.758 2.308 -12.423 83 HB2 GLU 15 1HB GLU 15 4.731 1.052 -12.695 84 HB3 GLU 15 2HB GLU 15 3.566 0.300 -13.775 85 HG2 GLU 15 1HG GLU 15 4.575 1.762 -15.603 86 HG3 GLU 15 2HG GLU 15 5.891 2.058 -14.468 87 H GLU 16 H GLU 16 4.331 3.655 -11.527 88 HA GLU 16 HA GLU 16 5.501 5.666 -13.324 89 HB2 GLU 16 1HB GLU 16 4.055 6.191 -10.725 90 HB3 GLU 16 2HB GLU 16 5.030 7.387 -11.566 91 HG2 GLU 16 1HG GLU 16 3.455 6.791 -13.577 92 HG3 GLU 16 2HG GLU 16 2.380 6.250 -12.289 93 H ASN 17 H ASN 17 7.617 5.258 -13.194 94 HA ASN 17 HA ASN 17 9.712 4.992 -12.352 95 HB2 ASN 17 1HB ASN 17 8.316 6.454 -10.142 96 HB3 ASN 17 2HB ASN 17 9.946 5.843 -9.873 97 HD21 ASN 17 1HD2 ASN 17 9.817 8.403 -9.637 98 HD22 ASN 17 2HD2 ASN 17 10.398 9.246 -11.029 99 H GLY 18 H GLY 18 7.775 2.826 -12.135 100 HA2 GLY 18 1HA GLY 18 8.308 0.612 -11.439 101 HA3 GLY 18 2HA GLY 18 9.170 1.284 -10.063 102 H VAL 19 H VAL 19 6.768 3.147 -9.697 103 HA VAL 19 HA VAL 19 5.344 1.367 -7.908 104 HB VAL 19 HB VAL 19 4.985 4.328 -8.397 105 HG11 VAL 19 1HG1 VAL 19 3.046 4.013 -7.328 106 HG12 VAL 19 2HG1 VAL 19 3.488 2.382 -6.818 107 HG13 VAL 19 3HG1 VAL 19 4.033 3.778 -5.886 108 HG21 VAL 19 1HG2 VAL 19 6.266 3.036 -6.007 109 HG22 VAL 19 2HG2 VAL 19 7.198 3.492 -7.433 110 HG23 VAL 19 3HG2 VAL 19 6.332 4.724 -6.516 111 H TRP 20 H TRP 20 3.858 0.103 -8.846 112 HA TRP 20 HA TRP 20 2.416 0.753 -11.183 113 HB2 TRP 20 1HB TRP 20 1.783 -1.291 -9.043 114 HB3 TRP 20 2HB TRP 20 1.043 -1.226 -10.640 115 HD1 TRP 20 HD TRP 20 4.183 -2.356 -8.845 116 HE1 TRP 20 1HE TRP 20 5.674 -3.659 -10.489 117 HE3 TRP 20 3HE TRP 20 1.674 -1.351 -13.184 118 HZ2 TRP 20 2HZ TRP 20 5.773 -4.190 -13.260 119 HZ3 TRP 20 3HZ TRP 20 2.533 -2.294 -15.288 120 HH2 TRP 20 HH TRP 20 4.541 -3.684 -15.323 121 H VAL 21 H VAL 21 0.358 1.519 -11.502 122 HA VAL 21 HA VAL 21 -0.807 2.964 -9.244 123 HB VAL 21 HB VAL 21 -1.479 3.116 -12.186 124 HG11 VAL 21 1HG1 VAL 21 -2.344 4.889 -9.905 125 HG12 VAL 21 2HG1 VAL 21 -2.749 5.106 -11.609 126 HG13 VAL 21 3HG1 VAL 21 -3.362 3.707 -10.727 127 HG21 VAL 21 1HG2 VAL 21 -0.362 5.513 -11.113 128 HG22 VAL 21 2HG2 VAL 21 0.715 4.165 -10.751 129 HG23 VAL 21 3HG2 VAL 21 0.246 4.495 -12.418 130 H LEU 22 H LEU 22 -2.129 1.702 -8.073 131 HA LEU 22 HA LEU 22 -3.994 -0.081 -9.469 132 HB2 LEU 22 1HB LEU 22 -2.959 0.033 -6.658 133 HB3 LEU 22 2HB LEU 22 -4.413 -0.880 -7.057 134 HG LEU 22 HG LEU 22 -1.613 -1.376 -8.056 135 HD11 LEU 22 1HD1 LEU 22 -2.063 -2.177 -5.799 136 HD12 LEU 22 2HD1 LEU 22 -1.889 -3.522 -6.926 137 HD13 LEU 22 3HD1 LEU 22 -3.492 -3.033 -6.378 138 HD21 LEU 22 1HD2 LEU 22 -2.870 -1.893 -9.930 139 HD22 LEU 22 2HD2 LEU 22 -4.259 -2.422 -8.981 140 HD23 LEU 22 3HD2 LEU 22 -2.816 -3.433 -9.072 141 H ASN 23 H ASN 23 -6.214 -0.227 -8.590 142 HA ASN 23 HA ASN 23 -7.340 1.785 -6.976 143 HB2 ASN 23 1HB ASN 23 -8.699 2.746 -9.056 144 HB3 ASN 23 2HB ASN 23 -7.174 3.457 -8.535 145 HD21 ASN 23 1HD2 ASN 23 -8.498 1.006 -10.715 146 HD22 ASN 23 2HD2 ASN 23 -7.332 1.241 -11.968 147 H ASP 24 H ASP 24 -9.770 1.778 -7.113 148 HA ASP 24 HA ASP 24 -10.810 -0.739 -6.818 149 HB2 ASP 24 1HB ASP 24 -13.063 0.346 -7.260 150 HB3 ASP 24 2HB ASP 24 -12.075 1.105 -6.014 151 H GLY 25 H GLY 25 -10.030 0.860 -9.744 152 HA2 GLY 25 1HA GLY 25 -11.828 -0.596 -11.442 153 HA3 GLY 25 2HA GLY 25 -10.464 0.381 -11.962 154 H ASN 26 H ASN 26 -8.392 -0.898 -10.611 155 HA ASN 26 HA ASN 26 -8.482 -3.647 -11.652 156 HB2 ASN 26 1HB ASN 26 -5.926 -3.092 -12.173 157 HB3 ASN 26 2HB ASN 26 -7.203 -2.782 -13.345 158 HD21 ASN 26 1HD2 ASN 26 -4.860 -1.410 -11.241 159 HD22 ASN 26 2HD2 ASN 26 -5.082 0.238 -11.712 160 H PHE 27 H PHE 27 -8.795 -2.686 -8.956 161 HA PHE 27 HA PHE 27 -6.356 -3.001 -7.517 162 HB2 PHE 27 1HB PHE 27 -8.351 -1.750 -6.671 163 HB3 PHE 27 2HB PHE 27 -9.179 -3.291 -6.474 164 HD1 PHE 27 2HD PHE 27 -8.434 -4.891 -4.772 165 HD2 PHE 27 1HD PHE 27 -6.673 -1.033 -5.137 166 HE1 PHE 27 2HE PHE 27 -7.458 -5.128 -2.526 167 HE2 PHE 27 1HE PHE 27 -5.693 -1.264 -2.892 168 HZ PHE 27 HZ PHE 27 -6.087 -3.313 -1.583 169 H ASP 28 H ASP 28 -9.242 -5.087 -7.742 170 HA ASP 28 HA ASP 28 -7.936 -7.309 -6.519 171 HB2 ASP 28 1HB ASP 28 -10.365 -7.019 -6.381 172 HB3 ASP 28 2HB ASP 28 -10.495 -7.194 -8.129 173 H ASN 29 H ASN 29 -8.766 -6.464 -9.859 174 HA ASN 29 HA ASN 29 -8.061 -8.774 -11.169 175 HB2 ASN 29 1HB ASN 29 -8.957 -7.184 -12.585 176 HB3 ASN 29 2HB ASN 29 -7.977 -5.883 -11.918 177 HD21 ASN 29 1HD2 ASN 29 -8.084 -8.543 -14.144 178 HD22 ASN 29 2HD2 ASN 29 -6.653 -8.131 -15.021 179 H PHE 30 H PHE 30 -5.957 -6.243 -9.919 180 HA PHE 30 HA PHE 30 -3.573 -7.354 -11.068 181 HB2 PHE 30 1HB PHE 30 -3.947 -4.910 -10.454 182 HB3 PHE 30 2HB PHE 30 -3.712 -5.395 -8.778 183 HD1 PHE 30 1HD PHE 30 -2.081 -5.317 -12.101 184 HD2 PHE 30 2HD PHE 30 -1.564 -5.645 -7.889 185 HE1 PHE 30 1HE PHE 30 0.353 -5.098 -12.387 186 HE2 PHE 30 2HE PHE 30 0.871 -5.425 -8.168 187 HZ PHE 30 HZ PHE 30 1.832 -5.150 -10.418 188 H VAL 31 H VAL 31 -4.802 -7.087 -7.731 189 HA VAL 31 HA VAL 31 -2.793 -8.805 -6.656 190 HB VAL 31 HB VAL 31 -4.003 -8.691 -4.578 191 HG11 VAL 31 1HG1 VAL 31 -2.913 -6.718 -4.596 192 HG12 VAL 31 2HG1 VAL 31 -3.548 -6.260 -6.177 193 HG13 VAL 31 3HG1 VAL 31 -4.539 -6.050 -4.732 194 HG21 VAL 31 1HG2 VAL 31 -6.224 -7.057 -5.154 195 HG22 VAL 31 2HG2 VAL 31 -6.273 -8.400 -6.295 196 HG23 VAL 31 3HG2 VAL 31 -6.225 -8.718 -4.561 197 H ALA 32 H ALA 32 -5.328 -9.493 -8.620 198 HA ALA 32 HA ALA 32 -6.651 -11.664 -7.530 199 HB1 ALA 32 1HB ALA 32 -5.823 -11.306 -10.408 200 HB2 ALA 32 2HB ALA 32 -7.096 -12.374 -9.817 201 HB3 ALA 32 3HB ALA 32 -7.268 -10.626 -9.658 202 H ASP 33 H ASP 33 -3.718 -11.749 -9.560 203 HA ASP 33 HA ASP 33 -3.191 -14.460 -8.546 204 HB2 ASP 33 1HB ASP 33 -3.387 -13.951 -11.076 205 HB3 ASP 33 2HB ASP 33 -1.795 -13.217 -10.902 206 H LYS 34 H LYS 34 -2.606 -12.574 -6.735 207 HA LYS 34 HA LYS 34 0.314 -12.659 -6.670 208 HB2 LYS 34 1HB LYS 34 -1.351 -10.165 -6.335 209 HB3 LYS 34 2HB LYS 34 0.301 -10.291 -5.744 210 HG2 LYS 34 1HG LYS 34 0.990 -10.850 -8.094 211 HG3 LYS 34 2HG LYS 34 -0.649 -10.427 -8.593 212 HD2 LYS 34 1HD LYS 34 -0.377 -8.178 -7.869 213 HD3 LYS 34 2HD LYS 34 1.136 -8.560 -7.044 214 HE2 LYS 34 1HE LYS 34 1.663 -7.440 -9.092 215 HE3 LYS 34 2HE LYS 34 2.119 -9.134 -9.260 216 HZ1 LYS 34 1HZ LYS 34 0.705 -9.398 -10.935 217 HZ2 LYS 34 2HZ LYS 34 0.551 -7.715 -10.980 218 HZ3 LYS 34 3HZ LYS 34 -0.565 -8.643 -10.112 219 H ASP 35 H ASP 35 1.097 -13.194 -4.718 220 HA ASP 35 HA ASP 35 -0.768 -13.803 -2.607 221 HB2 ASP 35 1HB ASP 35 1.485 -14.431 -1.429 222 HB3 ASP 35 2HB ASP 35 0.873 -15.432 -2.743 223 H THR 36 H THR 36 2.173 -11.794 -2.810 224 HA THR 36 HA THR 36 1.120 -10.196 -0.569 225 HB THR 36 HB THR 36 4.011 -10.212 -1.394 226 HG1 THR 36 1HG THR 36 4.357 -11.905 0.032 227 HG21 THR 36 1HG2 THR 36 3.896 -9.918 1.309 228 HG22 THR 36 2HG2 THR 36 2.395 -9.136 0.811 229 HG23 THR 36 3HG2 THR 36 3.937 -8.582 0.160 230 H VAL 37 H VAL 37 0.273 -8.337 -1.226 231 HA VAL 37 HA VAL 37 1.624 -6.871 -3.398 232 HB VAL 37 HB VAL 37 -1.345 -6.938 -2.838 233 HG11 VAL 37 1HG1 VAL 37 0.064 -4.856 -3.886 234 HG12 VAL 37 2HG1 VAL 37 -0.377 -5.755 -5.338 235 HG13 VAL 37 3HG1 VAL 37 -1.631 -5.200 -4.228 236 HG21 VAL 37 1HG2 VAL 37 -1.366 -8.749 -4.128 237 HG22 VAL 37 2HG2 VAL 37 -0.814 -7.738 -5.464 238 HG23 VAL 37 3HG2 VAL 37 0.359 -8.597 -4.464 239 H LEU 38 H LEU 38 2.557 -5.106 -2.620 240 HA LEU 38 HA LEU 38 1.704 -3.927 -0.128 241 HB2 LEU 38 1HB LEU 38 4.062 -4.089 -0.588 242 HB3 LEU 38 2HB LEU 38 3.869 -3.180 -2.086 243 HG LEU 38 HG LEU 38 3.068 -1.261 -0.552 244 HD11 LEU 38 1HD1 LEU 38 3.138 -1.528 1.648 245 HD12 LEU 38 2HD1 LEU 38 4.809 -2.087 1.577 246 HD13 LEU 38 3HD1 LEU 38 3.486 -3.237 1.385 247 HD21 LEU 38 1HD2 LEU 38 5.948 -1.800 -0.105 248 HD22 LEU 38 2HD2 LEU 38 5.145 -0.354 -0.718 249 HD23 LEU 38 3HD2 LEU 38 5.380 -1.747 -1.774 250 H LEU 39 H LEU 39 0.486 -2.157 0.147 251 HA LEU 39 HA LEU 39 -0.205 -0.574 -2.240 252 HB2 LEU 39 1HB LEU 39 -2.059 -1.025 0.078 253 HB3 LEU 39 2HB LEU 39 -2.439 -0.375 -1.515 254 HG LEU 39 HG LEU 39 -1.464 -3.184 -1.318 255 HD11 LEU 39 1HD1 LEU 39 -3.956 -2.158 -0.142 256 HD12 LEU 39 2HD1 LEU 39 -3.067 -3.644 0.189 257 HD13 LEU 39 3HD1 LEU 39 -4.135 -3.550 -1.211 258 HD21 LEU 39 1HD2 LEU 39 -3.415 -1.703 -3.075 259 HD22 LEU 39 2HD2 LEU 39 -3.085 -3.432 -3.189 260 HD23 LEU 39 3HD2 LEU 39 -1.800 -2.265 -3.508 261 H GLU 40 H GLU 40 -0.285 1.629 -2.028 262 HA GLU 40 HA GLU 40 0.291 2.752 0.628 263 HB2 GLU 40 1HB GLU 40 2.400 2.662 -0.585 264 HB3 GLU 40 2HB GLU 40 1.672 3.478 -1.961 265 HG2 GLU 40 1HG GLU 40 1.164 5.326 -0.149 266 HG3 GLU 40 2HG GLU 40 2.538 4.572 0.657 267 H PHE 41 H PHE 41 -1.390 3.985 1.130 268 HA PHE 41 HA PHE 41 -2.960 5.273 -0.944 269 HB2 PHE 41 1HB PHE 41 -3.315 5.204 2.060 270 HB3 PHE 41 2HB PHE 41 -4.454 5.919 0.924 271 HD1 PHE 41 2HD PHE 41 -2.937 2.756 2.051 272 HD2 PHE 41 1HD PHE 41 -5.989 4.585 -0.284 273 HE1 PHE 41 2HE PHE 41 -4.045 0.575 1.797 274 HE2 PHE 41 1HE PHE 41 -7.103 2.406 -0.541 275 HZ PHE 41 HZ PHE 41 -6.130 0.397 0.499 276 H TYR 42 H TYR 42 -2.944 7.388 -1.433 277 HA TYR 42 HA TYR 42 -1.626 9.278 0.364 278 HB2 TYR 42 1HB TYR 42 -0.076 10.067 -1.195 279 HB3 TYR 42 2HB TYR 42 -0.016 8.323 -1.427 280 HD1 TYR 42 2HD TYR 42 -1.328 11.481 -2.833 281 HD2 TYR 42 1HD TYR 42 -0.615 7.341 -3.503 282 HE1 TYR 42 2HE TYR 42 -1.825 11.788 -5.222 283 HE2 TYR 42 1HE TYR 42 -1.109 7.636 -5.894 284 HH TYR 42 HH TYR 42 -1.360 9.195 -7.543 285 H ALA 43 H ALA 43 -1.804 11.576 -0.685 286 HA ALA 43 HA ALA 43 -4.326 11.877 -2.142 287 HB1 ALA 43 1HB ALA 43 -4.941 12.027 0.204 288 HB2 ALA 43 2HB ALA 43 -3.722 13.276 0.461 289 HB3 ALA 43 3HB ALA 43 -5.108 13.599 -0.580 290 HA PRO 44 HA PRO 44 -2.018 14.916 -4.343 291 HB2 PRO 44 1HB PRO 44 -4.082 16.293 -5.444 292 HB3 PRO 44 2HB PRO 44 -3.592 14.689 -6.001 293 HG2 PRO 44 1HG PRO 44 -5.828 15.456 -4.164 294 HG3 PRO 44 2HG PRO 44 -5.822 14.277 -5.489 295 HD2 PRO 44 1HD PRO 44 -5.598 13.549 -2.890 296 HD3 PRO 44 2HD PRO 44 -4.814 12.650 -4.205 297 H TRP 45 H TRP 45 -4.369 15.746 -1.931 298 HA TRP 45 HA TRP 45 -3.620 18.557 -1.923 299 HB2 TRP 45 1HB TRP 45 -5.272 18.686 -0.026 300 HB3 TRP 45 2HB TRP 45 -5.946 18.133 -1.556 301 HD1 TRP 45 HD TRP 45 -7.279 15.935 -1.482 302 HE1 TRP 45 1HE TRP 45 -7.633 14.068 0.253 303 HE3 TRP 45 3HE TRP 45 -3.863 17.423 2.019 304 HZ2 TRP 45 2HZ TRP 45 -6.601 13.324 2.773 305 HZ3 TRP 45 3HZ TRP 45 -3.609 16.078 4.064 306 HH2 TRP 45 HH TRP 45 -4.951 14.072 4.432 307 H CYS 46 H CYS 46 -2.980 15.627 -0.156 308 HA CYS 46 HA CYS 46 -1.836 16.896 2.137 309 HB2 CYS 46 1HB CYS 46 -2.798 14.521 1.977 310 HB3 CYS 46 2HB CYS 46 -1.264 14.078 1.237 311 HG CYS 46 HG CYS 46 -0.337 13.412 3.541 312 H GLY 47 H GLY 47 -0.406 18.402 1.061 313 HA2 GLY 47 1HA GLY 47 1.637 17.845 -0.688 314 HA3 GLY 47 2HA GLY 47 1.739 19.073 0.565 315 H HIS 48 H HIS 48 1.572 17.256 2.785 316 HA HIS 48 HA HIS 48 4.215 16.774 3.329 317 HB2 HIS 48 1HB HIS 48 1.680 15.564 4.370 318 HB3 HIS 48 2HB HIS 48 3.230 14.917 4.901 319 HD1 HIS 48 1HD HIS 48 1.117 16.493 6.698 320 HD2 HIS 48 2HD HIS 48 4.622 18.027 5.080 321 HE1 HIS 48 1HE HIS 48 1.727 18.451 8.152 322 HE2 HIS 48 2HE HIS 48 3.805 19.415 7.103 323 H CYS 49 H CYS 49 2.004 14.812 1.485 324 HA CYS 49 HA CYS 49 3.509 12.413 1.507 325 HB2 CYS 49 1HB CYS 49 1.382 13.499 -0.329 326 HB3 CYS 49 2HB CYS 49 2.158 11.949 -0.629 327 HG CYS 49 HG CYS 49 1.340 11.614 2.391 328 H LYS 50 H LYS 50 3.588 15.296 -0.482 329 HA LYS 50 HA LYS 50 4.975 14.524 -2.697 330 HB2 LYS 50 1HB LYS 50 5.246 17.018 -1.027 331 HB3 LYS 50 2HB LYS 50 6.112 16.810 -2.543 332 HG2 LYS 50 1HG LYS 50 4.057 16.652 -3.765 333 HG3 LYS 50 2HG LYS 50 3.119 16.648 -2.270 334 HD2 LYS 50 1HD LYS 50 3.630 18.903 -1.822 335 HD3 LYS 50 2HD LYS 50 4.939 18.925 -3.006 336 HE2 LYS 50 1HE LYS 50 3.090 20.107 -3.943 337 HE3 LYS 50 2HE LYS 50 3.223 18.565 -4.787 338 HZ1 LYS 50 1HZ LYS 50 1.148 19.515 -2.967 339 HZ2 LYS 50 2HZ LYS 50 1.529 17.869 -2.905 340 HZ3 LYS 50 3HZ LYS 50 1.013 18.562 -4.359 341 H GLN 51 H GLN 51 6.242 14.965 0.555 342 HA GLN 51 HA GLN 51 8.984 14.698 -0.153 343 HB2 GLN 51 1HB GLN 51 9.431 14.896 2.089 344 HB3 GLN 51 2HB GLN 51 7.825 15.612 2.036 345 HG2 GLN 51 1HG GLN 51 6.875 13.432 2.704 346 HG3 GLN 51 2HG GLN 51 8.514 12.801 2.857 347 HE21 GLN 51 1HE2 GLN 51 7.131 15.926 3.776 348 HE22 GLN 51 2HE2 GLN 51 7.526 15.806 5.454 349 H PHE 52 H PHE 52 6.485 12.442 0.895 350 HA PHE 52 HA PHE 52 8.317 10.212 0.985 351 HB2 PHE 52 1HB PHE 52 6.210 10.530 2.429 352 HB3 PHE 52 2HB PHE 52 5.313 10.011 1.006 353 HD1 PHE 52 1HD PHE 52 8.296 8.918 2.969 354 HD2 PHE 52 2HD PHE 52 4.744 7.798 0.909 355 HE1 PHE 52 1HE PHE 52 8.681 6.569 3.590 356 HE2 PHE 52 2HE PHE 52 5.123 5.447 1.527 357 HZ PHE 52 HZ PHE 52 7.093 4.830 2.870 358 H ALA 53 H ALA 53 6.464 11.795 -1.387 359 HA ALA 53 HA ALA 53 5.633 9.843 -3.122 360 HB1 ALA 53 1HB ALA 53 6.142 12.633 -3.260 361 HB2 ALA 53 2HB ALA 53 6.821 11.876 -4.702 362 HB3 ALA 53 3HB ALA 53 5.118 11.646 -4.304 363 HA PRO 54 HA PRO 54 9.976 9.666 -5.218 364 HB2 PRO 54 1HB PRO 54 12.018 10.973 -3.995 365 HB3 PRO 54 2HB PRO 54 10.972 11.737 -5.198 366 HG2 PRO 54 1HG PRO 54 10.862 11.906 -2.211 367 HG3 PRO 54 2HG PRO 54 10.670 13.196 -3.412 368 HD2 PRO 54 1HD PRO 54 8.561 12.027 -2.181 369 HD3 PRO 54 2HD PRO 54 8.476 12.639 -3.845 370 H GLU 55 H GLU 55 9.860 9.768 -1.703 371 HA GLU 55 HA GLU 55 11.992 7.982 -1.211 372 HB2 GLU 55 1HB GLU 55 11.079 9.447 0.526 373 HB3 GLU 55 2HB GLU 55 9.551 8.580 0.470 374 HG2 GLU 55 1HG GLU 55 10.458 6.673 1.457 375 HG3 GLU 55 2HG GLU 55 12.113 7.174 1.117 376 H TYR 56 H TYR 56 8.515 7.495 -1.643 377 HA TYR 56 HA TYR 56 8.457 4.750 -1.038 378 HB2 TYR 56 1HB TYR 56 6.481 6.341 -1.280 379 HB3 TYR 56 2HB TYR 56 6.636 6.115 -3.019 380 HD1 TYR 56 1HD TYR 56 6.714 3.830 -0.054 381 HD2 TYR 56 2HD TYR 56 5.020 4.709 -3.856 382 HE1 TYR 56 1HE TYR 56 5.341 1.796 0.095 383 HE2 TYR 56 2HE TYR 56 3.641 2.677 -3.718 384 HH TYR 56 HH TYR 56 2.914 1.035 -2.351 385 H GLU 57 H GLU 57 8.911 6.472 -4.101 386 HA GLU 57 HA GLU 57 8.853 4.383 -5.887 387 HB2 GLU 57 1HB GLU 57 10.808 6.688 -5.954 388 HB3 GLU 57 2HB GLU 57 10.294 5.715 -7.325 389 HG2 GLU 57 1HG GLU 57 8.214 7.133 -5.753 390 HG3 GLU 57 2HG GLU 57 9.246 8.077 -6.826 391 H LYS 58 H LYS 58 11.612 5.487 -3.946 392 HA LYS 58 HA LYS 58 13.562 3.781 -4.931 393 HB2 LYS 58 1HB LYS 58 13.152 4.883 -2.150 394 HB3 LYS 58 2HB LYS 58 14.593 3.996 -2.629 395 HG2 LYS 58 1HG LYS 58 14.987 5.694 -4.394 396 HG3 LYS 58 2HG LYS 58 13.621 6.611 -3.757 397 HD2 LYS 58 1HD LYS 58 15.956 5.801 -2.044 398 HD3 LYS 58 2HD LYS 58 15.940 7.303 -2.970 399 HE2 LYS 58 1HE LYS 58 13.947 8.034 -1.798 400 HE3 LYS 58 2HE LYS 58 13.870 6.504 -0.926 401 HZ1 LYS 58 1HZ LYS 58 14.848 8.117 0.496 402 HZ2 LYS 58 2HZ LYS 58 15.958 8.598 -0.687 403 HZ3 LYS 58 3HZ LYS 58 16.083 7.065 0.017 404 H ILE 59 H ILE 59 11.152 3.201 -2.406 405 HA ILE 59 HA ILE 59 12.099 0.606 -1.724 406 HB ILE 59 HB ILE 59 9.387 1.860 -1.285 407 HG12 ILE 59 1HG1 ILE 59 11.473 1.404 0.822 408 HG13 ILE 59 2HG1 ILE 59 11.578 2.817 -0.222 409 HG21 ILE 59 1HG2 ILE 59 9.393 0.056 0.596 410 HG22 ILE 59 2HG2 ILE 59 8.930 -0.386 -1.047 411 HG23 ILE 59 3HG2 ILE 59 10.549 -0.762 -0.456 412 HD11 ILE 59 1HD1 ILE 59 9.191 2.120 1.468 413 HD12 ILE 59 2HD1 ILE 59 10.459 3.257 1.928 414 HD13 ILE 59 3HD1 ILE 59 9.437 3.593 0.531 415 H ALA 60 H ALA 60 9.847 1.843 -4.095 416 HA ALA 60 HA ALA 60 8.463 -0.489 -4.739 417 HB1 ALA 60 1HB ALA 60 7.474 1.148 -5.900 418 HB2 ALA 60 2HB ALA 60 8.956 2.099 -6.002 419 HB3 ALA 60 3HB ALA 60 8.669 0.788 -7.147 420 H SER 61 H SER 61 11.395 0.835 -6.281 421 HA SER 61 HA SER 61 11.797 -1.377 -7.994 422 HB2 SER 61 1HB SER 61 12.785 0.909 -8.315 423 HB3 SER 61 2HB SER 61 13.901 0.555 -6.996 424 HG SER 61 HG SER 61 13.820 -0.459 -9.590 425 H THR 62 H THR 62 13.019 -0.575 -4.783 426 HA THR 62 HA THR 62 14.962 -2.527 -4.491 427 HB THR 62 HB THR 62 13.073 -1.505 -2.361 428 HG1 THR 62 1HG THR 62 15.378 -0.487 -3.576 429 HG21 THR 62 1HG2 THR 62 14.699 -3.641 -2.096 430 HG22 THR 62 2HG2 THR 62 14.325 -2.532 -0.777 431 HG23 THR 62 3HG2 THR 62 15.823 -2.346 -1.689 432 H LEU 63 H LEU 63 11.551 -2.755 -3.461 433 HA LEU 63 HA LEU 63 11.733 -5.539 -2.880 434 HB2 LEU 63 1HB LEU 63 9.355 -3.731 -3.266 435 HB3 LEU 63 2HB LEU 63 9.252 -5.403 -2.719 436 HG LEU 63 HG LEU 63 10.833 -3.338 -1.213 437 HD11 LEU 63 1HD1 LEU 63 8.027 -4.079 -0.490 438 HD12 LEU 63 2HD1 LEU 63 8.347 -2.753 -1.607 439 HD13 LEU 63 3HD1 LEU 63 8.991 -2.697 0.034 440 HD21 LEU 63 1HD2 LEU 63 10.832 -5.995 -0.942 441 HD22 LEU 63 2HD2 LEU 63 9.435 -5.612 0.064 442 HD23 LEU 63 3HD2 LEU 63 11.005 -4.894 0.425 443 H LYS 64 H LYS 64 11.242 -3.736 -5.743 444 HA LYS 64 HA LYS 64 9.773 -5.713 -7.199 445 HB2 LYS 64 1HB LYS 64 9.732 -3.320 -7.800 446 HB3 LYS 64 2HB LYS 64 11.439 -3.403 -8.217 447 HG2 LYS 64 1HG LYS 64 10.943 -4.980 -10.002 448 HG3 LYS 64 2HG LYS 64 9.231 -4.942 -9.570 449 HD2 LYS 64 1HD LYS 64 9.394 -3.459 -11.369 450 HD3 LYS 64 2HD LYS 64 9.397 -2.407 -9.952 451 HE2 LYS 64 1HE LYS 64 11.145 -1.521 -11.143 452 HE3 LYS 64 2HE LYS 64 11.997 -2.692 -10.137 453 HZ1 LYS 64 1HZ LYS 64 11.254 -4.101 -12.359 454 HZ2 LYS 64 2HZ LYS 64 12.801 -3.507 -12.023 455 HZ3 LYS 64 3HZ LYS 64 11.737 -2.601 -12.975 456 H ASP 65 H ASP 65 12.896 -5.646 -6.088 457 HA ASP 65 HA ASP 65 13.790 -7.479 -8.215 458 HB2 ASP 65 1HB ASP 65 15.164 -5.551 -8.406 459 HB3 ASP 65 2HB ASP 65 15.359 -5.428 -6.660 460 H ASN 66 H ASN 66 13.018 -7.114 -4.966 461 HA ASN 66 HA ASN 66 14.841 -8.844 -3.710 462 HB2 ASN 66 1HB ASN 66 13.527 -8.623 -1.844 463 HB3 ASN 66 2HB ASN 66 12.920 -7.255 -2.772 464 HD21 ASN 66 1HD2 ASN 66 12.082 -9.977 -1.077 465 HD22 ASN 66 2HD2 ASN 66 10.463 -10.170 -1.651 466 H ASP 67 H ASP 67 13.928 -10.937 -2.595 467 HA ASP 67 HA ASP 67 12.478 -12.552 -4.576 468 HB2 ASP 67 1HB ASP 67 14.896 -13.573 -3.084 469 HB3 ASP 67 2HB ASP 67 14.036 -14.354 -4.408 470 HA PRO 68 HA PRO 68 10.944 -13.666 -4.832 471 HB2 PRO 68 1HB PRO 68 8.291 -13.302 -4.388 472 HB3 PRO 68 2HB PRO 68 9.086 -14.872 -4.223 473 HG2 PRO 68 1HG PRO 68 8.337 -12.896 -2.102 474 HG3 PRO 68 2HG PRO 68 8.162 -14.661 -2.099 475 HD2 PRO 68 1HD PRO 68 10.182 -13.395 -0.814 476 HD3 PRO 68 2HD PRO 68 10.371 -15.005 -1.538 477 HA PRO 69 HA PRO 69 10.830 -9.319 -5.597 478 HB2 PRO 69 1HB PRO 69 9.909 -9.370 -8.151 479 HB3 PRO 69 2HB PRO 69 11.560 -9.828 -7.716 480 HG2 PRO 69 1HG PRO 69 9.190 -11.575 -8.255 481 HG3 PRO 69 2HG PRO 69 10.870 -11.772 -8.788 482 HD2 PRO 69 1HD PRO 69 9.837 -13.142 -6.693 483 HD3 PRO 69 2HD PRO 69 11.541 -12.651 -6.766 484 H ILE 70 H ILE 70 9.310 -8.216 -4.495 485 HA ILE 70 HA ILE 70 6.485 -8.709 -4.963 486 HB ILE 70 HB ILE 70 7.829 -6.762 -3.086 487 HG12 ILE 70 1HG1 ILE 70 6.366 -9.226 -2.222 488 HG13 ILE 70 2HG1 ILE 70 8.021 -9.374 -2.802 489 HG21 ILE 70 1HG2 ILE 70 5.739 -5.848 -3.325 490 HG22 ILE 70 2HG2 ILE 70 4.979 -7.402 -3.664 491 HG23 ILE 70 3HG2 ILE 70 5.445 -6.991 -2.014 492 HD11 ILE 70 1HD1 ILE 70 8.890 -8.238 -1.014 493 HD12 ILE 70 2HD1 ILE 70 7.392 -7.360 -0.703 494 HD13 ILE 70 3HD1 ILE 70 7.523 -9.063 -0.266 495 H ALA 71 H ALA 71 4.997 -7.064 -5.565 496 HA ALA 71 HA ALA 71 6.211 -4.968 -7.238 497 HB1 ALA 71 1HB ALA 71 4.336 -6.922 -7.890 498 HB2 ALA 71 2HB ALA 71 3.416 -5.421 -7.778 499 HB3 ALA 71 3HB ALA 71 4.802 -5.527 -8.862 500 H VAL 72 H VAL 72 6.213 -3.072 -6.218 501 HA VAL 72 HA VAL 72 4.227 -2.418 -4.226 502 HB VAL 72 HB VAL 72 6.452 -0.714 -5.356 503 HG11 VAL 72 1HG1 VAL 72 4.253 -0.079 -3.652 504 HG12 VAL 72 2HG1 VAL 72 5.751 0.038 -2.728 505 HG13 VAL 72 3HG1 VAL 72 5.557 0.966 -4.216 506 HG21 VAL 72 1HG2 VAL 72 7.692 -2.276 -4.285 507 HG22 VAL 72 2HG2 VAL 72 7.258 -1.316 -2.871 508 HG23 VAL 72 3HG2 VAL 72 6.357 -2.785 -3.250 509 H ALA 73 H ALA 73 2.590 -0.953 -4.387 510 HA ALA 73 HA ALA 73 2.272 0.548 -6.878 511 HB1 ALA 73 1HB ALA 73 1.067 -1.598 -7.154 512 HB2 ALA 73 2HB ALA 73 0.073 -1.184 -5.756 513 HB3 ALA 73 3HB ALA 73 0.005 -0.191 -7.213 514 H LYS 74 H LYS 74 0.528 2.182 -6.726 515 HA LYS 74 HA LYS 74 0.066 3.051 -3.950 516 HB2 LYS 74 1HB LYS 74 0.472 5.335 -4.558 517 HB3 LYS 74 2HB LYS 74 1.851 4.381 -5.092 518 HG2 LYS 74 1HG LYS 74 1.011 4.400 -7.369 519 HG3 LYS 74 2HG LYS 74 -0.416 5.300 -6.850 520 HD2 LYS 74 1HD LYS 74 0.749 7.252 -6.571 521 HD3 LYS 74 2HD LYS 74 2.265 6.422 -6.213 522 HE2 LYS 74 1HE LYS 74 2.770 6.105 -8.439 523 HE3 LYS 74 2HE LYS 74 1.083 6.191 -8.943 524 HZ1 LYS 74 1HZ LYS 74 1.116 8.571 -8.486 525 HZ2 LYS 74 2HZ LYS 74 2.288 8.155 -9.632 526 HZ3 LYS 74 3HZ LYS 74 2.745 8.480 -8.036 527 H ILE 75 H ILE 75 -1.847 4.264 -3.578 528 HA ILE 75 HA ILE 75 -3.797 4.350 -5.757 529 HB ILE 75 HB ILE 75 -4.315 3.015 -3.099 530 HG12 ILE 75 1HG1 ILE 75 -4.775 1.762 -5.777 531 HG13 ILE 75 2HG1 ILE 75 -3.138 1.825 -5.133 532 HG21 ILE 75 1HG2 ILE 75 -6.169 4.487 -3.990 533 HG22 ILE 75 2HG2 ILE 75 -6.280 3.366 -5.346 534 HG23 ILE 75 3HG2 ILE 75 -6.587 2.797 -3.705 535 HD11 ILE 75 1HD1 ILE 75 -5.500 0.303 -4.168 536 HD12 ILE 75 2HD1 ILE 75 -3.828 -0.215 -4.381 537 HD13 ILE 75 3HD1 ILE 75 -4.269 0.801 -3.009 538 H ASP 76 H ASP 76 -5.227 6.021 -5.633 539 HA ASP 76 HA ASP 76 -4.717 7.995 -3.545 540 HB2 ASP 76 1HB ASP 76 -4.873 8.395 -6.154 541 HB3 ASP 76 2HB ASP 76 -6.598 8.493 -5.813 542 H ALA 77 H ALA 77 -5.820 7.178 -1.778 543 HA ALA 77 HA ALA 77 -8.251 5.998 -1.574 544 HB1 ALA 77 1HB ALA 77 -8.259 6.555 0.657 545 HB2 ALA 77 2HB ALA 77 -6.558 6.790 0.253 546 HB3 ALA 77 3HB ALA 77 -7.637 8.180 0.365 547 H THR 78 H THR 78 -7.682 9.499 -1.776 548 HA THR 78 HA THR 78 -10.242 10.448 -1.466 549 HB THR 78 HB THR 78 -9.604 12.372 -2.848 550 HG1 THR 78 1HG THR 78 -7.623 12.336 -3.960 551 HG21 THR 78 1HG2 THR 78 -8.725 12.760 -0.780 552 HG22 THR 78 2HG2 THR 78 -7.217 12.665 -1.691 553 HG23 THR 78 3HG2 THR 78 -7.787 11.267 -0.779 554 H SER 79 H SER 79 -8.788 8.989 -4.321 555 HA SER 79 HA SER 79 -11.113 9.510 -5.961 556 HB2 SER 79 1HB SER 79 -8.783 9.473 -6.884 557 HB3 SER 79 2HB SER 79 -8.739 7.737 -6.575 558 HG SER 79 HG SER 79 -10.355 7.439 -8.062 559 H ALA 80 H ALA 80 -9.681 6.796 -4.236 560 HA ALA 80 HA ALA 80 -11.923 5.086 -5.055 561 HB1 ALA 80 1HB ALA 80 -10.127 3.581 -3.521 562 HB2 ALA 80 2HB ALA 80 -10.348 3.537 -5.271 563 HB3 ALA 80 3HB ALA 80 -9.137 4.604 -4.562 564 H SER 81 H SER 81 -13.616 5.303 -3.732 565 HA SER 81 HA SER 81 -13.273 5.917 -0.929 566 HB2 SER 81 1HB SER 81 -15.749 5.401 -2.592 567 HB3 SER 81 2HB SER 81 -15.775 5.860 -0.890 568 HG SER 81 HG SER 81 -14.380 7.700 -1.729 569 H MET 82 H MET 82 -14.781 3.263 -2.774 570 HA MET 82 HA MET 82 -15.473 1.588 -0.717 571 HB2 MET 82 1HB MET 82 -15.859 1.265 -3.209 572 HB3 MET 82 2HB MET 82 -14.236 0.594 -3.282 573 HG2 MET 82 1HG MET 82 -15.023 -1.023 -1.465 574 HG3 MET 82 2HG MET 82 -16.650 -0.493 -1.885 575 HE1 MET 82 1HE MET 82 -13.357 -1.572 -3.082 576 HE2 MET 82 2HE MET 82 -13.699 -3.095 -3.902 577 HE3 MET 82 3HE MET 82 -13.618 -1.595 -4.827 578 H LEU 83 H LEU 83 -12.427 1.283 -2.555 579 HA LEU 83 HA LEU 83 -11.177 -0.580 -0.967 580 HB2 LEU 83 1HB LEU 83 -9.907 1.754 -2.391 581 HB3 LEU 83 2HB LEU 83 -9.049 0.332 -1.801 582 HG LEU 83 HG LEU 83 -11.162 0.320 -3.956 583 HD11 LEU 83 1HD1 LEU 83 -9.410 1.291 -5.054 584 HD12 LEU 83 2HD1 LEU 83 -8.996 -0.411 -5.260 585 HD13 LEU 83 3HD1 LEU 83 -8.197 0.545 -4.012 586 HD21 LEU 83 1HD2 LEU 83 -9.940 -1.763 -2.370 587 HD22 LEU 83 2HD2 LEU 83 -9.606 -1.980 -4.088 588 HD23 LEU 83 3HD2 LEU 83 -11.272 -1.858 -3.521 589 H ALA 84 H ALA 84 -11.109 2.953 -0.607 590 HA ALA 84 HA ALA 84 -9.353 3.231 1.482 591 HB1 ALA 84 1HB ALA 84 -11.457 5.001 2.054 592 HB2 ALA 84 2HB ALA 84 -9.980 5.333 1.149 593 HB3 ALA 84 3HB ALA 84 -11.434 4.806 0.301 594 H SER 85 H SER 85 -12.850 2.602 1.730 595 HA SER 85 HA SER 85 -12.936 2.473 4.539 596 HB2 SER 85 1HB SER 85 -14.990 2.769 3.347 597 HB3 SER 85 2HB SER 85 -14.736 1.292 2.418 598 HG SER 85 HG SER 85 -16.101 0.686 3.996 599 H LYS 86 H LYS 86 -12.201 0.082 2.087 600 HA LYS 86 HA LYS 86 -12.453 -2.279 3.477 601 HB2 LYS 86 1HB LYS 86 -11.655 -1.792 1.037 602 HB3 LYS 86 2HB LYS 86 -10.047 -1.814 1.748 603 HG2 LYS 86 1HG LYS 86 -10.461 -4.082 2.585 604 HG3 LYS 86 2HG LYS 86 -12.055 -4.057 1.826 605 HD2 LYS 86 1HD LYS 86 -11.201 -4.245 -0.288 606 HD3 LYS 86 2HD LYS 86 -9.689 -3.438 0.134 607 HE2 LYS 86 1HE LYS 86 -8.742 -5.361 0.972 608 HE3 LYS 86 2HE LYS 86 -10.302 -6.094 1.341 609 HZ1 LYS 86 1HZ LYS 86 -8.713 -6.382 -0.976 610 HZ2 LYS 86 2HZ LYS 86 -10.221 -5.747 -1.405 611 HZ3 LYS 86 3HZ LYS 86 -10.130 -7.205 -0.551 612 H PHE 87 H PHE 87 -9.515 -0.263 3.295 613 HA PHE 87 HA PHE 87 -8.432 -1.697 5.604 614 HB2 PHE 87 1HB PHE 87 -7.070 0.369 3.866 615 HB3 PHE 87 2HB PHE 87 -6.304 -0.695 5.041 616 HD1 PHE 87 2HD PHE 87 -8.165 -0.677 1.837 617 HD2 PHE 87 1HD PHE 87 -5.541 -2.811 4.421 618 HE1 PHE 87 2HE PHE 87 -7.795 -2.351 0.073 619 HE2 PHE 87 1HE PHE 87 -5.166 -4.488 2.660 620 HZ PHE 87 HZ PHE 87 -6.295 -4.260 0.483 621 H ASP 88 H ASP 88 -10.633 0.256 5.797 622 HA ASP 88 HA ASP 88 -11.207 2.223 6.865 623 HB2 ASP 88 1HB ASP 88 -9.380 0.927 8.900 624 HB3 ASP 88 2HB ASP 88 -10.625 2.124 9.248 625 H VAL 89 H VAL 89 -9.294 2.916 5.081 626 HA VAL 89 HA VAL 89 -7.012 4.163 6.218 627 HB VAL 89 HB VAL 89 -8.377 4.692 3.574 628 HG11 VAL 89 1HG1 VAL 89 -5.532 5.250 3.737 629 HG12 VAL 89 2HG1 VAL 89 -6.846 6.246 3.107 630 HG13 VAL 89 3HG1 VAL 89 -6.479 6.257 4.832 631 HG21 VAL 89 1HG2 VAL 89 -6.070 3.384 3.007 632 HG22 VAL 89 2HG2 VAL 89 -6.520 2.626 4.535 633 HG23 VAL 89 3HG2 VAL 89 -7.642 2.602 3.174 634 H SER 90 H SER 90 -7.333 5.662 7.763 635 HA SER 90 HA SER 90 -9.083 7.938 7.093 636 HB2 SER 90 1HB SER 90 -8.723 6.445 9.665 637 HB3 SER 90 2HB SER 90 -9.133 8.160 9.716 638 HG SER 90 HG SER 90 -10.693 6.017 9.084 639 H GLY 91 H GLY 91 -6.392 7.822 6.326 640 HA2 GLY 91 1HA GLY 91 -5.424 10.282 7.191 641 HA3 GLY 91 2HA GLY 91 -4.651 9.060 8.189 642 H TYR 92 H TYR 92 -3.016 10.566 6.727 643 HA TYR 92 HA TYR 92 -1.816 8.647 4.952 644 HB2 TYR 92 1HB TYR 92 -2.342 11.317 3.698 645 HB3 TYR 92 2HB TYR 92 -1.965 9.781 2.927 646 HD1 TYR 92 2HD TYR 92 -4.634 11.696 4.626 647 HD2 TYR 92 1HD TYR 92 -3.686 8.291 2.257 648 HE1 TYR 92 2HE TYR 92 -7.030 11.321 4.217 649 HE2 TYR 92 1HE TYR 92 -6.080 7.907 1.841 650 HH TYR 92 HH TYR 92 -8.447 10.198 2.482 651 HA PRO 93 HA PRO 93 -0.167 8.774 3.358 652 HB2 PRO 93 1HB PRO 93 2.225 7.560 3.773 653 HB3 PRO 93 2HB PRO 93 2.058 9.069 2.869 654 HG2 PRO 93 1HG PRO 93 2.875 8.649 5.718 655 HG3 PRO 93 2HG PRO 93 3.568 9.742 4.505 656 HD2 PRO 93 1HD PRO 93 1.857 10.591 6.424 657 HD3 PRO 93 2HD PRO 93 1.921 11.325 4.809 658 H THR 94 H THR 94 -0.462 6.507 3.308 659 HA THR 94 HA THR 94 -0.357 5.083 5.862 660 HB THR 94 HB THR 94 -2.845 5.344 4.168 661 HG1 THR 94 1HG THR 94 -2.650 6.990 5.686 662 HG21 THR 94 1HG2 THR 94 -3.134 3.168 4.731 663 HG22 THR 94 2HG2 THR 94 -3.631 3.860 6.275 664 HG23 THR 94 3HG2 THR 94 -1.989 3.251 6.069 665 H ILE 95 H ILE 95 0.807 3.323 5.483 666 HA ILE 95 HA ILE 95 0.690 2.073 2.829 667 HB ILE 95 HB ILE 95 2.699 1.660 5.047 668 HG12 ILE 95 1HG1 ILE 95 3.257 2.974 2.405 669 HG13 ILE 95 2HG1 ILE 95 2.589 3.912 3.736 670 HG21 ILE 95 1HG2 ILE 95 2.254 -0.267 3.456 671 HG22 ILE 95 2HG2 ILE 95 2.930 0.757 2.190 672 HG23 ILE 95 3HG2 ILE 95 3.923 0.291 3.571 673 HD11 ILE 95 1HD1 ILE 95 4.575 2.912 5.078 674 HD12 ILE 95 2HD1 ILE 95 5.264 2.629 3.478 675 HD13 ILE 95 3HD1 ILE 95 4.842 4.266 3.979 676 H LYS 96 H LYS 96 0.124 -0.041 2.541 677 HA LYS 96 HA LYS 96 -0.563 -1.632 4.906 678 HB2 LYS 96 1HB LYS 96 -2.390 -1.158 2.544 679 HB3 LYS 96 2HB LYS 96 -2.681 -2.338 3.815 680 HG2 LYS 96 1HG LYS 96 -2.252 0.504 4.580 681 HG3 LYS 96 2HG LYS 96 -3.800 0.033 3.874 682 HD2 LYS 96 1HD LYS 96 -4.166 -1.585 5.605 683 HD3 LYS 96 2HD LYS 96 -2.538 -1.341 6.244 684 HE2 LYS 96 1HE LYS 96 -4.507 0.916 6.076 685 HE3 LYS 96 2HE LYS 96 -4.509 -0.199 7.441 686 HZ1 LYS 96 1HZ LYS 96 -2.031 1.170 6.608 687 HZ2 LYS 96 2HZ LYS 96 -2.413 0.492 8.109 688 HZ3 LYS 96 3HZ LYS 96 -3.144 1.938 7.624 689 H ILE 97 H ILE 97 -1.066 -3.946 4.266 690 HA ILE 97 HA ILE 97 0.438 -4.765 1.879 691 HB ILE 97 HB ILE 97 0.738 -6.033 4.604 692 HG12 ILE 97 1HG1 ILE 97 2.901 -4.660 3.023 693 HG13 ILE 97 2HG1 ILE 97 1.868 -3.760 4.128 694 HG21 ILE 97 1HG2 ILE 97 2.748 -6.914 2.876 695 HG22 ILE 97 2HG2 ILE 97 1.378 -7.842 3.485 696 HG23 ILE 97 3HG2 ILE 97 1.254 -6.998 1.942 697 HD11 ILE 97 1HD1 ILE 97 4.090 -5.570 4.681 698 HD12 ILE 97 2HD1 ILE 97 3.435 -4.241 5.638 699 HD13 ILE 97 3HD1 ILE 97 2.671 -5.829 5.695 700 H LEU 98 H LEU 98 -0.774 -6.021 0.639 701 HA LEU 98 HA LEU 98 -3.120 -7.332 1.766 702 HB2 LEU 98 1HB LEU 98 -3.104 -5.936 -0.374 703 HB3 LEU 98 2HB LEU 98 -2.300 -7.314 -1.123 704 HG LEU 98 HG LEU 98 -4.325 -8.680 -0.361 705 HD11 LEU 98 1HD1 LEU 98 -5.023 -6.563 1.074 706 HD12 LEU 98 2HD1 LEU 98 -6.216 -7.668 0.392 707 HD13 LEU 98 3HD1 LEU 98 -5.860 -6.143 -0.420 708 HD21 LEU 98 1HD2 LEU 98 -3.776 -7.214 -2.664 709 HD22 LEU 98 2HD2 LEU 98 -5.469 -6.875 -2.301 710 HD23 LEU 98 3HD2 LEU 98 -4.925 -8.542 -2.497 711 H LYS 99 H LYS 99 -2.681 -9.241 2.682 712 HA LYS 99 HA LYS 99 -0.833 -11.076 1.326 713 HB2 LYS 99 1HB LYS 99 -0.710 -10.397 3.860 714 HB3 LYS 99 2HB LYS 99 -1.979 -11.602 4.041 715 HG2 LYS 99 1HG LYS 99 0.121 -12.639 4.495 716 HG3 LYS 99 2HG LYS 99 -0.482 -13.259 2.956 717 HD2 LYS 99 1HD LYS 99 1.014 -11.843 1.729 718 HD3 LYS 99 2HD LYS 99 1.505 -11.003 3.202 719 HE2 LYS 99 1HE LYS 99 3.256 -12.464 2.920 720 HE3 LYS 99 2HE LYS 99 2.203 -13.401 3.979 721 HZ1 LYS 99 1HZ LYS 99 1.847 -13.702 1.093 722 HZ2 LYS 99 2HZ LYS 99 1.668 -14.844 2.328 723 HZ3 LYS 99 3HZ LYS 99 3.214 -14.416 1.791 724 H LYS 100 H LYS 100 -1.913 -12.245 -0.146 725 HA LYS 100 HA LYS 100 -3.518 -13.545 -1.122 726 HB2 LYS 100 1HB LYS 100 -3.688 -14.683 1.674 727 HB3 LYS 100 2HB LYS 100 -4.188 -15.489 0.193 728 HG2 LYS 100 1HG LYS 100 -1.794 -15.298 -0.577 729 HG3 LYS 100 2HG LYS 100 -1.400 -14.796 1.069 730 HD2 LYS 100 1HD LYS 100 -1.006 -17.096 1.083 731 HD3 LYS 100 2HD LYS 100 -2.615 -16.945 1.793 732 HE2 LYS 100 1HE LYS 100 -3.637 -17.518 -0.326 733 HE3 LYS 100 2HE LYS 100 -2.057 -17.563 -1.107 734 HZ1 LYS 100 1HZ LYS 100 -1.517 -19.533 -0.111 735 HZ2 LYS 100 2HZ LYS 100 -3.186 -19.743 -0.286 736 HZ3 LYS 100 3HZ LYS 100 -2.543 -19.294 1.213 737 H GLY 101 H GLY 101 -4.448 -11.018 0.017 738 HA2 GLY 101 1HA GLY 101 -6.632 -10.127 -0.238 739 HA3 GLY 101 2HA GLY 101 -7.294 -11.709 0.146 740 H GLN 102 H GLN 102 -4.769 -10.714 2.199 741 HA GLN 102 HA GLN 102 -6.736 -10.060 4.287 742 HB2 GLN 102 1HB GLN 102 -5.479 -12.057 4.806 743 HB3 GLN 102 2HB GLN 102 -3.959 -11.228 4.499 744 HG2 GLN 102 1HG GLN 102 -4.100 -11.275 6.809 745 HG3 GLN 102 2HG GLN 102 -4.659 -9.655 6.395 746 HE21 GLN 102 1HE2 GLN 102 -5.215 -12.048 8.439 747 HE22 GLN 102 2HE2 GLN 102 -6.919 -11.893 8.677 748 H ALA 103 H ALA 103 -6.831 -8.011 4.893 749 HA ALA 103 HA ALA 103 -4.842 -6.109 4.078 750 HB1 ALA 103 1HB ALA 103 -6.311 -4.519 5.424 751 HB2 ALA 103 2HB ALA 103 -7.044 -5.305 4.026 752 HB3 ALA 103 3HB ALA 103 -7.390 -5.896 5.651 753 H VAL 104 H VAL 104 -3.023 -5.704 5.134 754 HA VAL 104 HA VAL 104 -2.944 -6.170 8.044 755 HB VAL 104 HB VAL 104 -0.664 -6.287 6.064 756 HG11 VAL 104 1HG1 VAL 104 0.490 -5.679 7.914 757 HG12 VAL 104 2HG1 VAL 104 -0.775 -6.225 9.017 758 HG13 VAL 104 3HG1 VAL 104 0.328 -7.394 8.291 759 HG21 VAL 104 1HG2 VAL 104 -1.684 -8.294 5.702 760 HG22 VAL 104 2HG2 VAL 104 -0.706 -8.726 7.104 761 HG23 VAL 104 3HG2 VAL 104 -2.414 -8.339 7.307 762 H ASP 105 H ASP 105 -2.569 -4.480 9.320 763 HA ASP 105 HA ASP 105 -2.117 -1.880 8.145 764 HB2 ASP 105 1HB ASP 105 -2.196 -1.197 10.643 765 HB3 ASP 105 2HB ASP 105 -3.671 -1.794 9.887 766 H TYR 106 H TYR 106 -0.211 -0.927 7.906 767 HA TYR 106 HA TYR 106 2.149 -2.162 9.089 768 HB2 TYR 106 1HB TYR 106 2.403 -1.736 6.773 769 HB3 TYR 106 2HB TYR 106 1.750 -0.108 6.920 770 HD1 TYR 106 2HD TYR 106 4.628 -2.191 8.058 771 HD2 TYR 106 1HD TYR 106 3.208 1.692 7.056 772 HE1 TYR 106 2HE TYR 106 6.911 -1.304 8.288 773 HE2 TYR 106 1HE TYR 106 5.486 2.590 7.282 774 HH TYR 106 HH TYR 106 8.000 0.881 8.745 775 H ASP 107 H ASP 107 3.085 -1.398 10.856 776 HA ASP 107 HA ASP 107 2.651 1.427 11.574 777 HB2 ASP 107 1HB ASP 107 2.516 -1.041 13.279 778 HB3 ASP 107 2HB ASP 107 2.947 0.509 13.996 779 H GLY 108 H GLY 108 4.581 2.235 10.862 780 HA2 GLY 108 1HA GLY 108 6.932 1.418 12.401 781 HA3 GLY 108 2HA GLY 108 7.049 1.348 10.649 782 H SER 109 H SER 109 8.614 2.914 10.440 783 HA SER 109 HA SER 109 7.810 5.636 11.235 784 HB2 SER 109 1HB SER 109 9.935 4.500 12.277 785 HB3 SER 109 2HB SER 109 10.676 4.912 10.731 786 HG SER 109 HG SER 109 9.893 7.105 11.159 787 H ARG 110 H ARG 110 7.498 3.908 8.704 788 HA ARG 110 HA ARG 110 7.529 4.191 6.446 789 HB2 ARG 110 1HB ARG 110 7.783 7.112 7.185 790 HB3 ARG 110 2HB ARG 110 7.263 6.482 5.628 791 HG2 ARG 110 1HG ARG 110 5.329 5.419 6.773 792 HG3 ARG 110 2HG ARG 110 5.824 6.233 8.258 793 HD2 ARG 110 1HD ARG 110 5.456 7.845 5.778 794 HD3 ARG 110 2HD ARG 110 4.029 7.297 6.657 795 HE ARG 110 HE ARG 110 5.806 9.387 7.419 796 HH11 ARG 110 2HH1 ARG 110 3.755 6.871 8.678 797 HH12 ARG 110 1HH1 ARG 110 3.477 7.674 10.188 798 HH21 ARG 110 2HH2 ARG 110 5.447 10.454 9.402 799 HH22 ARG 110 1HH2 ARG 110 4.439 9.712 10.598 800 H THR 111 H THR 111 9.916 3.347 7.281 801 HA THR 111 HA THR 111 11.862 5.014 5.822 802 HB THR 111 HB THR 111 13.505 3.456 7.231 803 HG1 THR 111 1HG THR 111 11.506 3.862 9.168 804 HG21 THR 111 1HG2 THR 111 12.177 6.041 7.924 805 HG22 THR 111 2HG2 THR 111 13.849 5.727 7.458 806 HG23 THR 111 3HG2 THR 111 13.290 5.307 9.077 807 H GLN 112 H GLN 112 12.887 4.145 4.120 808 HA GLN 112 HA GLN 112 12.047 2.024 2.691 809 HB2 GLN 112 1HB GLN 112 13.870 3.715 2.107 810 HB3 GLN 112 2HB GLN 112 14.991 2.625 2.913 811 HG2 GLN 112 1HG GLN 112 14.130 0.828 1.336 812 HG3 GLN 112 2HG GLN 112 13.384 2.142 0.429 813 HE21 GLN 112 1HE2 GLN 112 14.785 3.804 -0.412 814 HE22 GLN 112 2HE2 GLN 112 16.414 3.415 -0.835 815 H GLU 113 H GLU 113 14.158 1.900 5.482 816 HA GLU 113 HA GLU 113 14.862 -0.856 5.167 817 HB2 GLU 113 1HB GLU 113 15.130 1.118 7.423 818 HB3 GLU 113 2HB GLU 113 15.567 -0.573 7.623 819 HG2 GLU 113 1HG GLU 113 16.738 1.285 5.565 820 HG3 GLU 113 2HG GLU 113 17.492 0.858 7.100 821 H GLU 114 H GLU 114 12.825 0.820 7.573 822 HA GLU 114 HA GLU 114 11.755 -1.448 8.769 823 HB2 GLU 114 1HB GLU 114 10.554 1.300 8.408 824 HB3 GLU 114 2HB GLU 114 9.857 0.057 9.438 825 HG2 GLU 114 1HG GLU 114 12.533 1.391 9.756 826 HG3 GLU 114 2HG GLU 114 11.118 1.569 10.792 827 H ILE 115 H ILE 115 9.987 0.644 6.483 828 HA ILE 115 HA ILE 115 7.801 -0.827 5.964 829 HB ILE 115 HB ILE 115 9.484 0.568 3.882 830 HG12 ILE 115 1HG1 ILE 115 7.019 1.525 5.347 831 HG13 ILE 115 2HG1 ILE 115 8.664 1.939 5.817 832 HG21 ILE 115 1HG2 ILE 115 7.452 0.647 2.526 833 HG22 ILE 115 2HG2 ILE 115 7.949 -1.014 2.841 834 HG23 ILE 115 3HG2 ILE 115 6.604 -0.312 3.738 835 HD11 ILE 115 1HD1 ILE 115 7.490 2.562 3.121 836 HD12 ILE 115 2HD1 ILE 115 7.485 3.678 4.487 837 HD13 ILE 115 3HD1 ILE 115 9.014 3.140 3.794 838 H VAL 116 H VAL 116 10.906 -1.300 4.280 839 HA VAL 116 HA VAL 116 10.071 -3.548 2.789 840 HB VAL 116 HB VAL 116 12.859 -2.728 3.616 841 HG11 VAL 116 1HG1 VAL 116 13.623 -4.581 2.665 842 HG12 VAL 116 2HG1 VAL 116 11.963 -5.128 2.421 843 HG13 VAL 116 3HG1 VAL 116 12.776 -4.188 1.169 844 HG21 VAL 116 1HG2 VAL 116 13.010 -1.516 1.639 845 HG22 VAL 116 2HG2 VAL 116 11.640 -2.350 0.905 846 HG23 VAL 116 3HG2 VAL 116 11.370 -1.169 2.188 847 H ALA 117 H ALA 117 11.641 -3.213 5.933 848 HA ALA 117 HA ALA 117 12.302 -5.877 6.401 849 HB1 ALA 117 1HB ALA 117 11.383 -4.596 8.815 850 HB2 ALA 117 2HB ALA 117 13.017 -5.063 8.341 851 HB3 ALA 117 3HB ALA 117 12.370 -3.497 7.850 852 H LYS 118 H LYS 118 9.264 -4.155 6.971 853 HA LYS 118 HA LYS 118 7.959 -6.376 8.203 854 HB2 LYS 118 1HB LYS 118 7.106 -4.242 8.757 855 HB3 LYS 118 2HB LYS 118 6.994 -3.759 7.070 856 HG2 LYS 118 1HG LYS 118 4.795 -4.188 7.987 857 HG3 LYS 118 2HG LYS 118 5.182 -5.366 6.731 858 HD2 LYS 118 1HD LYS 118 4.248 -6.656 8.437 859 HD3 LYS 118 2HD LYS 118 5.987 -6.857 8.664 860 HE2 LYS 118 1HE LYS 118 5.770 -4.862 10.289 861 HE3 LYS 118 2HE LYS 118 4.046 -5.229 10.266 862 HZ1 LYS 118 1HZ LYS 118 5.465 -6.301 12.068 863 HZ2 LYS 118 2HZ LYS 118 6.051 -7.318 10.851 864 HZ3 LYS 118 3HZ LYS 118 4.400 -7.305 11.220 865 H VAL 119 H VAL 119 7.557 -4.829 5.012 866 HA VAL 119 HA VAL 119 5.736 -6.540 3.885 867 HB VAL 119 HB VAL 119 8.095 -5.212 2.548 868 HG11 VAL 119 1HG1 VAL 119 7.054 -5.611 0.442 869 HG12 VAL 119 2HG1 VAL 119 7.163 -7.162 1.277 870 HG13 VAL 119 3HG1 VAL 119 5.625 -6.300 1.212 871 HG21 VAL 119 1HG2 VAL 119 5.822 -3.918 1.751 872 HG22 VAL 119 2HG2 VAL 119 5.451 -4.321 3.428 873 HG23 VAL 119 3HG2 VAL 119 6.895 -3.384 3.045 874 H ARG 120 H ARG 120 9.251 -6.821 3.325 875 HA ARG 120 HA ARG 120 9.240 -9.306 2.126 876 HB2 ARG 120 1HB ARG 120 11.561 -9.394 2.509 877 HB3 ARG 120 2HB ARG 120 11.185 -7.678 2.420 878 HG2 ARG 120 1HG ARG 120 11.014 -7.816 4.992 879 HG3 ARG 120 2HG ARG 120 11.902 -9.329 4.805 880 HD2 ARG 120 1HD ARG 120 12.791 -6.638 3.773 881 HD3 ARG 120 2HD ARG 120 13.387 -7.415 5.239 882 HE ARG 120 HE ARG 120 14.141 -8.010 2.535 883 HH11 ARG 120 2HH1 ARG 120 13.869 -9.283 5.764 884 HH12 ARG 120 1HH1 ARG 120 15.080 -10.499 5.527 885 HH21 ARG 120 2HH2 ARG 120 15.738 -9.606 2.211 886 HH22 ARG 120 1HH2 ARG 120 16.143 -10.681 3.506 887 H GLU 121 H GLU 121 9.185 -8.499 5.548 888 HA GLU 121 HA GLU 121 9.677 -11.090 6.549 889 HB2 GLU 121 1HB GLU 121 9.922 -9.247 8.037 890 HB3 GLU 121 2HB GLU 121 8.285 -8.689 7.726 891 HG2 GLU 121 1HG GLU 121 8.090 -9.666 9.798 892 HG3 GLU 121 2HG GLU 121 7.573 -10.964 8.722 893 H VAL 122 H VAL 122 6.679 -9.372 5.772 894 HA VAL 122 HA VAL 122 4.915 -11.385 6.682 895 HB VAL 122 HB VAL 122 4.459 -9.268 4.575 896 HG11 VAL 122 1HG1 VAL 122 2.179 -9.703 4.679 897 HG12 VAL 122 2HG1 VAL 122 2.891 -11.318 4.695 898 HG13 VAL 122 3HG1 VAL 122 2.317 -10.591 6.196 899 HG21 VAL 122 1HG2 VAL 122 3.095 -8.551 6.859 900 HG22 VAL 122 2HG2 VAL 122 4.617 -9.189 7.480 901 HG23 VAL 122 3HG2 VAL 122 4.626 -7.870 6.310 902 H SER 123 H SER 123 6.352 -10.706 3.521 903 HA SER 123 HA SER 123 4.977 -12.425 1.896 904 HB2 SER 123 1HB SER 123 6.829 -12.387 0.425 905 HB3 SER 123 2HB SER 123 6.924 -10.862 1.306 906 HG SER 123 HG SER 123 8.723 -11.496 2.209 907 H GLN 124 H GLN 124 7.469 -13.211 4.246 908 HA GLN 124 HA GLN 124 8.005 -15.842 3.517 909 HB2 GLN 124 1HB GLN 124 7.895 -14.740 6.329 910 HB3 GLN 124 2HB GLN 124 8.775 -16.168 5.800 911 HG2 GLN 124 1HG GLN 124 9.330 -13.321 5.000 912 HG3 GLN 124 2HG GLN 124 10.289 -14.317 6.093 913 HE21 GLN 124 1HE2 GLN 124 10.814 -12.975 3.440 914 HE22 GLN 124 2HE2 GLN 124 11.508 -14.222 2.465 915 HA PRO 125 HA PRO 125 4.275 -18.023 4.359 916 HB2 PRO 125 1HB PRO 125 5.305 -20.514 4.685 917 HB3 PRO 125 2HB PRO 125 5.170 -19.729 3.107 918 HG2 PRO 125 1HG PRO 125 7.553 -19.974 4.902 919 HG3 PRO 125 2HG PRO 125 7.452 -20.175 3.143 920 HD2 PRO 125 1HD PRO 125 8.372 -17.906 4.300 921 HD3 PRO 125 2HD PRO 125 7.497 -17.904 2.754 922 H ASP 126 H ASP 126 6.990 -18.147 6.561 923 HA ASP 126 HA ASP 126 5.611 -19.486 8.674 924 HB2 ASP 126 1HB ASP 126 8.093 -19.454 8.438 925 HB3 ASP 126 2HB ASP 126 8.075 -17.740 8.847 926 H TRP 127 H TRP 127 6.326 -16.103 7.919 927 HA TRP 127 HA TRP 127 5.496 -14.841 10.203 928 HB2 TRP 127 1HB TRP 127 6.423 -13.561 8.398 929 HB3 TRP 127 2HB TRP 127 5.106 -14.020 7.322 930 HD1 TRP 127 HD TRP 127 6.032 -11.523 10.011 931 HE1 TRP 127 1HE TRP 127 4.151 -9.781 10.234 932 HE3 TRP 127 3HE TRP 127 2.494 -13.770 7.083 933 HZ2 TRP 127 2HZ TRP 127 1.515 -9.408 9.294 934 HZ3 TRP 127 3HZ TRP 127 0.319 -12.655 6.797 935 HH2 TRP 127 HH TRP 127 -0.158 -10.520 7.880 936 H THR 128 H THR 128 3.503 -13.829 10.827 937 HA THR 128 HA THR 128 1.064 -14.893 9.619 938 HB THR 128 HB THR 128 0.161 -15.400 11.929 939 HG1 THR 128 1HG THR 128 1.647 -14.465 13.274 940 HG21 THR 128 1HG2 THR 128 1.592 -17.573 12.091 941 HG22 THR 128 2HG2 THR 128 2.311 -16.994 10.588 942 HG23 THR 128 3HG2 THR 128 0.577 -17.304 10.675 943 HA PRO 129 HA PRO 129 -0.483 -10.851 10.382 944 HB2 PRO 129 1HB PRO 129 -3.143 -11.369 10.546 945 HB3 PRO 129 2HB PRO 129 -2.247 -11.414 9.023 946 HG2 PRO 129 1HG PRO 129 -3.069 -13.675 10.804 947 HG3 PRO 129 2HG PRO 129 -3.133 -13.564 9.036 948 HD2 PRO 129 1HD PRO 129 -1.167 -14.892 10.342 949 HD3 PRO 129 2HD PRO 129 -0.895 -14.059 8.798 950 HA PRO 130 HA PRO 130 -0.896 -10.368 14.750 951 HB2 PRO 130 1HB PRO 130 -1.904 -7.847 14.803 952 HB3 PRO 130 2HB PRO 130 -0.214 -8.198 14.423 953 HG2 PRO 130 1HG PRO 130 -2.492 -7.623 12.568 954 HG3 PRO 130 2HG PRO 130 -0.824 -7.025 12.510 955 HD2 PRO 130 1HD PRO 130 -1.698 -9.058 10.950 956 HD3 PRO 130 2HD PRO 130 -0.029 -8.963 11.549 957 HA PRO 131 HA PRO 131 -5.063 -11.439 15.739 958 HB2 PRO 131 1HB PRO 131 -4.999 -10.946 18.408 959 HB3 PRO 131 2HB PRO 131 -4.211 -12.346 17.671 960 HG2 PRO 131 1HG PRO 131 -3.022 -9.735 18.527 961 HG3 PRO 131 2HG PRO 131 -2.393 -11.378 18.749 962 HD2 PRO 131 1HD PRO 131 -1.495 -9.725 16.801 963 HD3 PRO 131 2HD PRO 131 -1.567 -11.488 16.600 964 H GLU 132 H GLU 132 -6.799 -10.438 17.427 965 HA GLU 132 HA GLU 132 -8.360 -8.798 17.675 966 HB2 GLU 132 1HB GLU 132 -6.294 -7.913 18.966 967 HB3 GLU 132 2HB GLU 132 -6.124 -6.792 17.622 968 HG2 GLU 132 1HG GLU 132 -8.123 -5.710 18.106 969 HG3 GLU 132 2HG GLU 132 -8.717 -7.046 19.090 970 H VAL 133 H VAL 133 -8.002 -9.581 15.052 971 HA VAL 133 HA VAL 133 -8.205 -7.055 13.549 972 HB VAL 133 HB VAL 133 -6.400 -8.527 12.764 973 HG11 VAL 133 1HG1 VAL 133 -8.436 -10.503 11.821 974 HG12 VAL 133 2HG1 VAL 133 -6.698 -10.707 12.048 975 HG13 VAL 133 3HG1 VAL 133 -7.768 -10.626 13.448 976 HG21 VAL 133 1HG2 VAL 133 -6.759 -7.984 10.607 977 HG22 VAL 133 2HG2 VAL 133 -8.326 -8.791 10.553 978 HG23 VAL 133 3HG2 VAL 133 -8.189 -7.178 11.253 979 H THR 134 H THR 134 -9.952 -6.693 12.220 980 HA THR 134 HA THR 134 -12.358 -8.125 12.888 981 HB THR 134 HB THR 134 -12.309 -5.650 12.558 982 HG1 THR 134 1HG THR 134 -14.054 -6.833 10.662 983 HG21 THR 134 1HG2 THR 134 -12.550 -5.841 9.650 984 HG22 THR 134 2HG2 THR 134 -10.936 -6.225 10.251 985 HG23 THR 134 3HG2 THR 134 -11.676 -4.672 10.639 986 H SER 135 H SER 135 -13.366 -9.657 11.737 987 HA SER 135 HA SER 135 -12.256 -11.276 9.912 988 HB2 SER 135 1HB SER 135 -14.652 -11.294 10.985 989 HB3 SER 135 2HB SER 135 -15.130 -10.552 9.459 990 HG SER 135 HG SER 135 -13.973 -12.392 8.466 991 H GLY 136 H GLY 136 -11.514 -11.158 7.896 992 HA2 GLY 136 1HA GLY 136 -12.631 -9.116 6.093 993 HA3 GLY 136 2HA GLY 136 -10.892 -9.206 6.330 994 HA PRO 137 HA PRO 137 -12.314 -13.219 3.983 995 HB2 PRO 137 1HB PRO 137 -14.735 -13.037 2.769 996 HB3 PRO 137 2HB PRO 137 -14.527 -13.669 4.406 997 HG2 PRO 137 1HG PRO 137 -15.385 -10.940 3.524 998 HG3 PRO 137 2HG PRO 137 -16.041 -11.954 4.823 999 HD2 PRO 137 1HD PRO 137 -14.335 -9.904 5.294 1000 HD3 PRO 137 2HD PRO 137 -14.366 -11.370 6.295 1001 H SER 138 H SER 138 -12.778 -13.637 1.564 1002 HA SER 138 HA SER 138 -11.714 -11.347 0.069 1003 HB2 SER 138 1HB SER 138 -11.568 -14.322 -0.328 1004 HB3 SER 138 2HB SER 138 -11.281 -13.226 -1.680 1005 HG SER 138 HG SER 138 -9.313 -13.406 -0.840 1006 H SER 139 H SER 139 -13.773 -10.321 -0.143 1007 HA SER 139 HA SER 139 -15.546 -11.641 -2.094 1008 HB2 SER 139 1HB SER 139 -16.202 -9.762 0.175 1009 HB3 SER 139 2HB SER 139 -17.332 -10.089 -1.138 1010 HG SER 139 HG SER 139 -16.347 -11.837 0.839 1011 H GLY 140 H GLY 140 -15.003 -10.818 -4.025 1012 HA2 GLY 140 1HA GLY 140 -14.617 -9.291 -5.695 1013 HA3 GLY 140 2HA GLY 140 -15.690 -8.236 -4.787 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -6.105 -28.677 -8.100 2 HA2 GLY 1 1HA GLY 1 -8.293 -28.856 -9.166 3 HA3 GLY 1 2HA GLY 1 -8.970 -28.052 -7.757 4 H SER 2 H SER 2 -7.560 -27.656 -10.845 5 HA SER 2 HA SER 2 -6.537 -25.123 -10.874 6 HB2 SER 2 1HB SER 2 -7.146 -24.996 -13.213 7 HB3 SER 2 2HB SER 2 -6.689 -26.658 -12.842 8 HG SER 2 HG SER 2 -9.371 -25.746 -12.821 9 H SER 3 H SER 3 -7.407 -23.044 -11.385 10 HA SER 3 HA SER 3 -10.190 -22.501 -11.379 11 HB2 SER 3 1HB SER 3 -10.148 -23.012 -9.040 12 HB3 SER 3 2HB SER 3 -8.684 -22.060 -8.796 13 HG SER 3 HG SER 3 -10.889 -20.743 -9.865 14 H GLY 4 H GLY 4 -10.539 -20.547 -12.263 15 HA2 GLY 4 1HA GLY 4 -10.048 -18.185 -12.420 16 HA3 GLY 4 2HA GLY 4 -8.353 -18.571 -12.163 17 H SER 5 H SER 5 -10.304 -17.409 -14.403 18 HA SER 5 HA SER 5 -8.714 -18.550 -16.592 19 HB2 SER 5 1HB SER 5 -11.684 -18.468 -16.343 20 HB3 SER 5 2HB SER 5 -10.986 -18.163 -17.934 21 HG SER 5 HG SER 5 -9.958 -20.164 -17.821 22 H SER 6 H SER 6 -8.942 -17.181 -18.619 23 HA SER 6 HA SER 6 -9.489 -14.366 -18.073 24 HB2 SER 6 1HB SER 6 -6.796 -15.469 -18.867 25 HB3 SER 6 2HB SER 6 -7.250 -13.794 -19.180 26 HG SER 6 HG SER 6 -7.647 -14.772 -16.602 27 H GLY 7 H GLY 7 -9.710 -13.073 -19.976 28 HA2 GLY 7 1HA GLY 7 -9.742 -14.502 -22.532 29 HA3 GLY 7 2HA GLY 7 -11.259 -13.822 -21.962 30 H ASP 8 H ASP 8 -11.315 -11.484 -21.570 31 HA ASP 8 HA ASP 8 -9.540 -10.072 -23.449 32 HB2 ASP 8 1HB ASP 8 -12.045 -10.185 -23.940 33 HB3 ASP 8 2HB ASP 8 -12.258 -9.118 -22.555 34 H ASP 9 H ASP 9 -8.105 -8.765 -22.553 35 HA ASP 9 HA ASP 9 -8.262 -8.048 -19.775 36 HB2 ASP 9 1HB ASP 9 -6.123 -8.589 -20.987 37 HB3 ASP 9 2HB ASP 9 -6.286 -7.053 -21.834 38 H ASP 10 H ASP 10 -9.662 -6.524 -19.174 39 HA ASP 10 HA ASP 10 -9.951 -4.129 -20.858 40 HB2 ASP 10 1HB ASP 10 -11.959 -5.646 -20.112 41 HB3 ASP 10 2HB ASP 10 -11.804 -4.769 -18.592 42 H LEU 11 H LEU 11 -9.580 -5.173 -17.486 43 HA LEU 11 HA LEU 11 -9.121 -2.477 -16.568 44 HB2 LEU 11 1HB LEU 11 -8.754 -5.102 -15.131 45 HB3 LEU 11 2HB LEU 11 -8.751 -3.504 -14.389 46 HG LEU 11 HG LEU 11 -11.125 -4.765 -15.758 47 HD11 LEU 11 1HD1 LEU 11 -11.873 -5.541 -13.763 48 HD12 LEU 11 2HD1 LEU 11 -11.060 -4.279 -12.839 49 HD13 LEU 11 3HD1 LEU 11 -10.141 -5.654 -13.451 50 HD21 LEU 11 1HD2 LEU 11 -11.724 -2.597 -15.865 51 HD22 LEU 11 2HD2 LEU 11 -10.560 -2.103 -14.635 52 HD23 LEU 11 3HD2 LEU 11 -12.098 -2.824 -14.156 53 H GLU 12 H GLU 12 -7.297 -1.748 -17.650 54 HA GLU 12 HA GLU 12 -4.834 -3.258 -17.546 55 HB2 GLU 12 1HB GLU 12 -5.719 -1.612 -19.407 56 HB3 GLU 12 2HB GLU 12 -4.942 -0.397 -18.402 57 HG2 GLU 12 1HG GLU 12 -2.818 -1.394 -18.671 58 HG3 GLU 12 2HG GLU 12 -3.515 -2.849 -19.383 59 H VAL 13 H VAL 13 -2.801 -2.041 -16.859 60 HA VAL 13 HA VAL 13 -3.238 -0.289 -14.559 61 HB VAL 13 HB VAL 13 -1.623 -2.838 -14.397 62 HG11 VAL 13 1HG1 VAL 13 -1.539 -2.092 -11.925 63 HG12 VAL 13 2HG1 VAL 13 -0.447 -1.326 -13.080 64 HG13 VAL 13 3HG1 VAL 13 -1.911 -0.489 -12.561 65 HG21 VAL 13 1HG2 VAL 13 -3.261 -3.713 -12.989 66 HG22 VAL 13 2HG2 VAL 13 -3.992 -2.134 -12.698 67 HG23 VAL 13 3HG2 VAL 13 -4.193 -2.925 -14.262 68 H LYS 14 H LYS 14 -1.734 1.265 -14.384 69 HA LYS 14 HA LYS 14 0.518 1.181 -16.259 70 HB2 LYS 14 1HB LYS 14 -0.629 3.522 -14.726 71 HB3 LYS 14 2HB LYS 14 0.644 3.608 -15.936 72 HG2 LYS 14 1HG LYS 14 -0.982 2.710 -17.602 73 HG3 LYS 14 2HG LYS 14 -2.238 2.860 -16.371 74 HD2 LYS 14 1HD LYS 14 -2.375 4.821 -17.683 75 HD3 LYS 14 2HD LYS 14 -1.572 5.298 -16.185 76 HE2 LYS 14 1HE LYS 14 0.447 5.619 -17.210 77 HE3 LYS 14 2HE LYS 14 0.122 4.427 -18.467 78 HZ1 LYS 14 1HZ LYS 14 -1.459 6.004 -19.453 79 HZ2 LYS 14 2HZ LYS 14 0.113 6.625 -19.404 80 HZ3 LYS 14 3HZ LYS 14 -1.041 7.154 -18.285 81 H GLU 15 H GLU 15 2.357 2.787 -15.263 82 HA GLU 15 HA GLU 15 2.903 2.149 -12.485 83 HB2 GLU 15 1HB GLU 15 4.873 0.921 -12.817 84 HB3 GLU 15 2HB GLU 15 3.734 0.226 -13.962 85 HG2 GLU 15 1HG GLU 15 4.734 1.686 -15.722 86 HG3 GLU 15 2HG GLU 15 5.965 2.154 -14.550 87 H GLU 16 H GLU 16 4.505 3.454 -11.550 88 HA GLU 16 HA GLU 16 5.624 5.565 -13.258 89 HB2 GLU 16 1HB GLU 16 4.066 5.933 -10.703 90 HB3 GLU 16 2HB GLU 16 5.145 7.169 -11.335 91 HG2 GLU 16 1HG GLU 16 2.927 6.013 -12.986 92 HG3 GLU 16 2HG GLU 16 2.668 7.363 -11.883 93 H ASN 17 H ASN 17 7.739 5.108 -13.140 94 HA ASN 17 HA ASN 17 9.824 4.753 -12.303 95 HB2 ASN 17 1HB ASN 17 8.490 6.451 -10.253 96 HB3 ASN 17 2HB ASN 17 10.028 5.711 -9.817 97 HD21 ASN 17 1HD2 ASN 17 10.857 7.860 -9.691 98 HD22 ASN 17 2HD2 ASN 17 11.337 8.693 -11.126 99 H GLY 18 H GLY 18 8.069 2.578 -12.106 100 HA2 GLY 18 1HA GLY 18 8.446 0.427 -11.242 101 HA3 GLY 18 2HA GLY 18 9.341 1.143 -9.910 102 H VAL 19 H VAL 19 6.850 3.054 -9.809 103 HA VAL 19 HA VAL 19 5.463 1.440 -7.825 104 HB VAL 19 HB VAL 19 4.992 4.333 -8.552 105 HG11 VAL 19 1HG1 VAL 19 3.391 4.361 -7.003 106 HG12 VAL 19 2HG1 VAL 19 3.469 2.598 -7.016 107 HG13 VAL 19 3HG1 VAL 19 4.406 3.515 -5.836 108 HG21 VAL 19 1HG2 VAL 19 7.329 3.741 -7.749 109 HG22 VAL 19 2HG2 VAL 19 6.467 4.974 -6.829 110 HG23 VAL 19 3HG2 VAL 19 6.581 3.329 -6.206 111 H TRP 20 H TRP 20 3.996 0.091 -8.683 112 HA TRP 20 HA TRP 20 2.544 0.570 -11.055 113 HB2 TRP 20 1HB TRP 20 1.967 -1.338 -8.779 114 HB3 TRP 20 2HB TRP 20 1.174 -1.375 -10.351 115 HD1 TRP 20 HD TRP 20 4.239 -2.574 -8.560 116 HE1 TRP 20 1HE TRP 20 5.739 -3.889 -10.187 117 HE3 TRP 20 3HE TRP 20 1.918 -1.375 -12.955 118 HZ2 TRP 20 2HZ TRP 20 5.916 -4.355 -12.965 119 HZ3 TRP 20 3HZ TRP 20 2.815 -2.296 -15.052 120 HH2 TRP 20 HH TRP 20 4.773 -3.755 -15.055 121 H VAL 21 H VAL 21 0.558 1.419 -11.436 122 HA VAL 21 HA VAL 21 -0.672 2.894 -9.231 123 HB VAL 21 HB VAL 21 -1.219 3.047 -12.199 124 HG11 VAL 21 1HG1 VAL 21 -2.354 5.197 -11.545 125 HG12 VAL 21 2HG1 VAL 21 -3.182 3.722 -11.045 126 HG13 VAL 21 3HG1 VAL 21 -2.251 4.653 -9.871 127 HG21 VAL 21 1HG2 VAL 21 0.680 4.211 -12.272 128 HG22 VAL 21 2HG2 VAL 21 -0.151 5.455 -11.339 129 HG23 VAL 21 3HG2 VAL 21 0.820 4.235 -10.514 130 H LEU 22 H LEU 22 -1.944 1.493 -8.113 131 HA LEU 22 HA LEU 22 -3.898 -0.102 -9.618 132 HB2 LEU 22 1HB LEU 22 -2.863 -0.307 -6.800 133 HB3 LEU 22 2HB LEU 22 -4.243 -1.234 -7.386 134 HG LEU 22 HG LEU 22 -1.371 -1.448 -8.267 135 HD11 LEU 22 1HD1 LEU 22 -3.261 -3.471 -7.075 136 HD12 LEU 22 2HD1 LEU 22 -2.008 -2.604 -6.186 137 HD13 LEU 22 3HD1 LEU 22 -1.561 -3.721 -7.476 138 HD21 LEU 22 1HD2 LEU 22 -2.720 -1.591 -10.252 139 HD22 LEU 22 2HD2 LEU 22 -3.839 -2.703 -9.462 140 HD23 LEU 22 3HD2 LEU 22 -2.185 -3.212 -9.809 141 H ASN 23 H ASN 23 -6.094 -0.248 -8.745 142 HA ASN 23 HA ASN 23 -7.095 1.588 -6.849 143 HB2 ASN 23 1HB ASN 23 -8.487 2.822 -8.752 144 HB3 ASN 23 2HB ASN 23 -6.917 3.418 -8.220 145 HD21 ASN 23 1HD2 ASN 23 -8.302 1.125 -10.545 146 HD22 ASN 23 2HD2 ASN 23 -7.220 1.517 -11.834 147 H ASP 24 H ASP 24 -9.547 1.704 -6.959 148 HA ASP 24 HA ASP 24 -10.681 -0.778 -6.840 149 HB2 ASP 24 1HB ASP 24 -12.879 0.347 -7.076 150 HB3 ASP 24 2HB ASP 24 -11.805 1.186 -5.960 151 H GLY 25 H GLY 25 -9.866 0.997 -9.664 152 HA2 GLY 25 1HA GLY 25 -11.693 -0.330 -11.441 153 HA3 GLY 25 2HA GLY 25 -10.329 0.675 -11.906 154 H ASN 26 H ASN 26 -8.302 -0.767 -10.543 155 HA ASN 26 HA ASN 26 -8.392 -3.406 -11.829 156 HB2 ASN 26 1HB ASN 26 -5.817 -2.837 -12.255 157 HB3 ASN 26 2HB ASN 26 -7.070 -2.438 -13.427 158 HD21 ASN 26 1HD2 ASN 26 -4.771 -1.229 -11.173 159 HD22 ASN 26 2HD2 ASN 26 -4.974 0.448 -11.535 160 H PHE 27 H PHE 27 -8.740 -2.655 -9.071 161 HA PHE 27 HA PHE 27 -6.281 -3.257 -7.692 162 HB2 PHE 27 1HB PHE 27 -7.981 -1.726 -6.735 163 HB3 PHE 27 2HB PHE 27 -9.099 -3.080 -6.607 164 HD1 PHE 27 2HD PHE 27 -8.763 -4.819 -4.947 165 HD2 PHE 27 1HD PHE 27 -6.121 -1.494 -5.227 166 HE1 PHE 27 2HE PHE 27 -7.857 -5.356 -2.724 167 HE2 PHE 27 1HE PHE 27 -5.210 -2.026 -3.004 168 HZ PHE 27 HZ PHE 27 -6.079 -3.959 -1.749 169 H ASP 28 H ASP 28 -9.476 -4.826 -7.504 170 HA ASP 28 HA ASP 28 -8.633 -7.212 -6.395 171 HB2 ASP 28 1HB ASP 28 -10.721 -8.151 -7.672 172 HB3 ASP 28 2HB ASP 28 -10.935 -6.963 -6.389 173 H ASN 29 H ASN 29 -9.129 -6.492 -9.848 174 HA ASN 29 HA ASN 29 -8.429 -8.932 -10.921 175 HB2 ASN 29 1HB ASN 29 -9.320 -7.086 -12.264 176 HB3 ASN 29 2HB ASN 29 -7.822 -6.188 -12.044 177 HD21 ASN 29 1HD2 ASN 29 -6.009 -6.767 -13.192 178 HD22 ASN 29 2HD2 ASN 29 -6.054 -7.878 -14.515 179 H PHE 30 H PHE 30 -6.298 -6.247 -10.015 180 HA PHE 30 HA PHE 30 -3.901 -7.475 -10.891 181 HB2 PHE 30 1HB PHE 30 -4.234 -5.016 -10.423 182 HB3 PHE 30 2HB PHE 30 -4.164 -5.404 -8.707 183 HD1 PHE 30 1HD PHE 30 -2.261 -5.126 -11.810 184 HD2 PHE 30 2HD PHE 30 -2.086 -6.062 -7.662 185 HE1 PHE 30 1HE PHE 30 0.194 -4.963 -11.880 186 HE2 PHE 30 2HE PHE 30 0.368 -5.899 -7.725 187 HZ PHE 30 HZ PHE 30 1.511 -5.349 -9.835 188 H VAL 31 H VAL 31 -5.031 -6.906 -7.553 189 HA VAL 31 HA VAL 31 -3.155 -8.623 -6.352 190 HB VAL 31 HB VAL 31 -4.412 -8.411 -4.332 191 HG11 VAL 31 1HG1 VAL 31 -4.023 -6.074 -6.061 192 HG12 VAL 31 2HG1 VAL 31 -5.124 -5.814 -4.706 193 HG13 VAL 31 3HG1 VAL 31 -3.476 -6.371 -4.411 194 HG21 VAL 31 1HG2 VAL 31 -6.686 -7.741 -6.163 195 HG22 VAL 31 2HG2 VAL 31 -6.613 -8.940 -4.873 196 HG23 VAL 31 3HG2 VAL 31 -6.698 -7.224 -4.477 197 H ALA 32 H ALA 32 -5.742 -9.381 -8.302 198 HA ALA 32 HA ALA 32 -6.952 -11.587 -7.145 199 HB1 ALA 32 1HB ALA 32 -7.915 -11.905 -9.155 200 HB2 ALA 32 2HB ALA 32 -7.181 -10.344 -9.528 201 HB3 ALA 32 3HB ALA 32 -6.380 -11.835 -10.021 202 H ASP 33 H ASP 33 -4.200 -11.658 -9.419 203 HA ASP 33 HA ASP 33 -3.535 -14.340 -8.434 204 HB2 ASP 33 1HB ASP 33 -3.819 -13.793 -10.936 205 HB3 ASP 33 2HB ASP 33 -2.261 -12.982 -10.800 206 H LYS 34 H LYS 34 -2.943 -12.482 -6.591 207 HA LYS 34 HA LYS 34 -0.010 -12.409 -6.682 208 HB2 LYS 34 1HB LYS 34 -1.875 -10.132 -6.086 209 HB3 LYS 34 2HB LYS 34 -0.266 -10.175 -5.378 210 HG2 LYS 34 1HG LYS 34 -0.494 -10.577 -8.307 211 HG3 LYS 34 2HG LYS 34 -0.766 -8.954 -7.668 212 HD2 LYS 34 1HD LYS 34 1.400 -8.841 -6.752 213 HD3 LYS 34 2HD LYS 34 1.650 -10.580 -6.921 214 HE2 LYS 34 1HE LYS 34 2.892 -9.714 -8.676 215 HE3 LYS 34 2HE LYS 34 1.365 -10.129 -9.453 216 HZ1 LYS 34 1HZ LYS 34 1.684 -7.425 -8.371 217 HZ2 LYS 34 2HZ LYS 34 0.796 -7.952 -9.711 218 HZ3 LYS 34 3HZ LYS 34 2.478 -7.804 -9.816 219 H ASP 35 H ASP 35 0.979 -12.995 -4.825 220 HA ASP 35 HA ASP 35 -0.674 -14.065 -2.711 221 HB2 ASP 35 1HB ASP 35 1.791 -14.474 -1.768 222 HB3 ASP 35 2HB ASP 35 1.078 -15.505 -3.006 223 H THR 36 H THR 36 1.853 -11.580 -2.989 224 HA THR 36 HA THR 36 0.677 -10.218 -0.677 225 HB THR 36 HB THR 36 3.648 -10.709 -0.959 226 HG1 THR 36 1HG THR 36 1.978 -12.415 -0.130 227 HG21 THR 36 1HG2 THR 36 3.603 -9.772 1.418 228 HG22 THR 36 2HG2 THR 36 1.988 -9.179 1.029 229 HG23 THR 36 3HG2 THR 36 3.380 -8.623 0.100 230 H VAL 37 H VAL 37 0.040 -8.344 -1.531 231 HA VAL 37 HA VAL 37 1.888 -6.931 -3.342 232 HB VAL 37 HB VAL 37 -1.109 -6.595 -3.155 233 HG11 VAL 37 1HG1 VAL 37 0.956 -5.419 -5.008 234 HG12 VAL 37 2HG1 VAL 37 -0.784 -5.334 -5.286 235 HG13 VAL 37 3HG1 VAL 37 -0.078 -4.558 -3.869 236 HG21 VAL 37 1HG2 VAL 37 -0.438 -7.542 -5.682 237 HG22 VAL 37 2HG2 VAL 37 0.517 -8.523 -4.571 238 HG23 VAL 37 3HG2 VAL 37 -1.236 -8.443 -4.393 239 H LEU 38 H LEU 38 2.716 -5.066 -2.663 240 HA LEU 38 HA LEU 38 1.841 -3.972 -0.119 241 HB2 LEU 38 1HB LEU 38 4.161 -4.103 -0.264 242 HB3 LEU 38 2HB LEU 38 4.184 -3.514 -1.924 243 HG LEU 38 HG LEU 38 3.516 -1.265 -1.043 244 HD11 LEU 38 1HD1 LEU 38 4.352 -1.248 1.536 245 HD12 LEU 38 2HD1 LEU 38 3.517 -2.799 1.458 246 HD13 LEU 38 3HD1 LEU 38 2.664 -1.316 1.031 247 HD21 LEU 38 1HD2 LEU 38 5.966 -1.507 0.383 248 HD22 LEU 38 2HD2 LEU 38 5.685 -0.843 -1.227 249 HD23 LEU 38 3HD2 LEU 38 6.032 -2.562 -1.029 250 H LEU 39 H LEU 39 0.284 -2.505 -0.049 251 HA LEU 39 HA LEU 39 -0.058 -0.689 -2.339 252 HB2 LEU 39 1HB LEU 39 -2.120 -1.063 -0.211 253 HB3 LEU 39 2HB LEU 39 -2.326 -0.578 -1.893 254 HG LEU 39 HG LEU 39 -1.406 -3.351 -1.269 255 HD11 LEU 39 1HD1 LEU 39 -3.233 -3.725 -0.042 256 HD12 LEU 39 2HD1 LEU 39 -4.119 -3.604 -1.561 257 HD13 LEU 39 3HD1 LEU 39 -3.974 -2.195 -0.511 258 HD21 LEU 39 1HD2 LEU 39 -3.402 -2.822 -3.346 259 HD22 LEU 39 2HD2 LEU 39 -1.904 -3.751 -3.418 260 HD23 LEU 39 3HD2 LEU 39 -1.863 -1.996 -3.589 261 H GLU 40 H GLU 40 -0.305 1.522 -2.008 262 HA GLU 40 HA GLU 40 0.089 2.538 0.710 263 HB2 GLU 40 1HB GLU 40 2.325 2.439 -0.218 264 HB3 GLU 40 2HB GLU 40 1.796 3.272 -1.672 265 HG2 GLU 40 1HG GLU 40 1.415 4.624 0.944 266 HG3 GLU 40 2HG GLU 40 3.041 4.534 0.269 267 H PHE 41 H PHE 41 -1.482 3.936 1.100 268 HA PHE 41 HA PHE 41 -2.884 5.222 -1.090 269 HB2 PHE 41 1HB PHE 41 -3.381 5.330 1.893 270 HB3 PHE 41 2HB PHE 41 -4.443 5.993 0.655 271 HD1 PHE 41 2HD PHE 41 -2.944 2.826 1.870 272 HD2 PHE 41 1HD PHE 41 -6.081 4.670 -0.337 273 HE1 PHE 41 2HE PHE 41 -4.099 0.660 1.708 274 HE2 PHE 41 1HE PHE 41 -7.242 2.507 -0.502 275 HZ PHE 41 HZ PHE 41 -6.250 0.498 0.520 276 H TYR 42 H TYR 42 -3.048 7.430 -1.419 277 HA TYR 42 HA TYR 42 -1.659 9.291 0.292 278 HB2 TYR 42 1HB TYR 42 0.050 9.956 -1.155 279 HB3 TYR 42 2HB TYR 42 0.063 8.203 -1.309 280 HD1 TYR 42 2HD TYR 42 -0.730 11.365 -2.981 281 HD2 TYR 42 1HD TYR 42 -0.659 7.128 -3.361 282 HE1 TYR 42 2HE TYR 42 -1.005 11.584 -5.415 283 HE2 TYR 42 1HE TYR 42 -0.932 7.335 -5.796 284 HH TYR 42 HH TYR 42 -1.781 10.280 -7.305 285 H ALA 43 H ALA 43 -1.582 11.527 -1.018 286 HA ALA 43 HA ALA 43 -3.958 11.858 -2.672 287 HB1 ALA 43 1HB ALA 43 -4.439 12.123 -0.109 288 HB2 ALA 43 2HB ALA 43 -3.710 13.711 -0.351 289 HB3 ALA 43 3HB ALA 43 -5.138 13.245 -1.276 290 HA PRO 44 HA PRO 44 -1.295 14.738 -4.684 291 HB2 PRO 44 1HB PRO 44 -3.166 16.085 -6.118 292 HB3 PRO 44 2HB PRO 44 -2.635 14.449 -6.528 293 HG2 PRO 44 1HG PRO 44 -5.084 15.331 -5.049 294 HG3 PRO 44 2HG PRO 44 -4.921 14.089 -6.304 295 HD2 PRO 44 1HD PRO 44 -5.063 13.486 -3.669 296 HD3 PRO 44 2HD PRO 44 -4.125 12.515 -4.821 297 H TRP 45 H TRP 45 -3.976 15.736 -2.702 298 HA TRP 45 HA TRP 45 -3.101 18.517 -2.679 299 HB2 TRP 45 1HB TRP 45 -5.082 18.654 -0.987 300 HB3 TRP 45 2HB TRP 45 -5.424 18.443 -2.702 301 HD1 TRP 45 HD TRP 45 -6.732 16.306 -3.410 302 HE1 TRP 45 1HE TRP 45 -7.738 14.312 -2.132 303 HE3 TRP 45 3HE TRP 45 -4.604 17.119 1.167 304 HZ2 TRP 45 2HZ TRP 45 -7.643 13.227 0.472 305 HZ3 TRP 45 3HZ TRP 45 -5.113 15.556 2.998 306 HH2 TRP 45 HH TRP 45 -6.602 13.652 2.656 307 H CYS 46 H CYS 46 -2.567 15.651 -0.950 308 HA CYS 46 HA CYS 46 -2.009 16.914 1.589 309 HB2 CYS 46 1HB CYS 46 -2.894 14.557 1.330 310 HB3 CYS 46 2HB CYS 46 -1.301 14.104 0.738 311 HG CYS 46 HG CYS 46 -0.927 13.258 3.192 312 H GLY 47 H GLY 47 -0.097 17.653 2.286 313 HA2 GLY 47 1HA GLY 47 2.098 17.800 0.432 314 HA3 GLY 47 2HA GLY 47 2.051 18.482 2.051 315 H HIS 48 H HIS 48 1.582 16.238 3.581 316 HA HIS 48 HA HIS 48 4.044 15.239 4.136 317 HB2 HIS 48 1HB HIS 48 1.311 14.048 4.489 318 HB3 HIS 48 2HB HIS 48 2.742 13.147 4.980 319 HD1 HIS 48 1HD HIS 48 4.060 14.034 7.023 320 HD2 HIS 48 2HD HIS 48 0.658 16.235 6.104 321 HE1 HIS 48 1HE HIS 48 3.656 15.512 9.017 322 HE2 HIS 48 2HE HIS 48 1.544 16.772 8.474 323 H CYS 49 H CYS 49 1.834 14.111 1.659 324 HA CYS 49 HA CYS 49 3.134 11.695 1.030 325 HB2 CYS 49 1HB CYS 49 0.918 12.033 0.212 326 HB3 CYS 49 2HB CYS 49 1.374 13.527 -0.599 327 HG CYS 49 HG CYS 49 1.306 12.186 -2.819 328 H LYS 50 H LYS 50 3.493 14.970 -0.281 329 HA LYS 50 HA LYS 50 5.230 14.524 -2.355 330 HB2 LYS 50 1HB LYS 50 5.329 16.804 -0.371 331 HB3 LYS 50 2HB LYS 50 6.093 16.801 -1.955 332 HG2 LYS 50 1HG LYS 50 4.126 17.093 -3.062 333 HG3 LYS 50 2HG LYS 50 3.177 16.268 -1.823 334 HD2 LYS 50 1HD LYS 50 2.521 18.417 -1.424 335 HD3 LYS 50 2HD LYS 50 3.941 18.355 -0.377 336 HE2 LYS 50 1HE LYS 50 4.107 20.373 -1.599 337 HE3 LYS 50 2HE LYS 50 5.264 19.260 -2.327 338 HZ1 LYS 50 1HZ LYS 50 4.236 20.079 -4.174 339 HZ2 LYS 50 2HZ LYS 50 2.742 20.289 -3.410 340 HZ3 LYS 50 3HZ LYS 50 3.242 18.742 -3.877 341 H GLN 51 H GLN 51 6.118 15.070 1.050 342 HA GLN 51 HA GLN 51 8.892 14.715 0.668 343 HB2 GLN 51 1HB GLN 51 7.056 14.807 3.005 344 HB3 GLN 51 2HB GLN 51 8.643 14.093 3.255 345 HG2 GLN 51 1HG GLN 51 9.713 16.127 2.503 346 HG3 GLN 51 2HG GLN 51 8.143 16.845 2.146 347 HE21 GLN 51 1HE2 GLN 51 10.548 17.035 4.229 348 HE22 GLN 51 2HE2 GLN 51 9.704 17.433 5.683 349 H PHE 52 H PHE 52 6.292 12.497 0.844 350 HA PHE 52 HA PHE 52 8.154 10.259 1.276 351 HB2 PHE 52 1HB PHE 52 6.156 10.524 2.823 352 HB3 PHE 52 2HB PHE 52 5.143 10.133 1.437 353 HD1 PHE 52 1HD PHE 52 8.200 8.783 3.104 354 HD2 PHE 52 2HD PHE 52 4.442 7.962 1.283 355 HE1 PHE 52 1HE PHE 52 8.504 6.385 3.567 356 HE2 PHE 52 2HE PHE 52 4.738 5.564 1.744 357 HZ PHE 52 HZ PHE 52 6.771 4.772 2.888 358 H ALA 53 H ALA 53 7.019 11.927 -1.194 359 HA ALA 53 HA ALA 53 5.880 9.922 -2.876 360 HB1 ALA 53 1HB ALA 53 6.846 11.846 -4.580 361 HB2 ALA 53 2HB ALA 53 5.250 11.842 -3.827 362 HB3 ALA 53 3HB ALA 53 6.573 12.744 -3.087 363 HA PRO 54 HA PRO 54 10.223 9.856 -4.977 364 HB2 PRO 54 1HB PRO 54 12.234 11.208 -3.755 365 HB3 PRO 54 2HB PRO 54 11.168 11.949 -4.953 366 HG2 PRO 54 1HG PRO 54 11.060 12.107 -1.966 367 HG3 PRO 54 2HG PRO 54 10.834 13.396 -3.163 368 HD2 PRO 54 1HD PRO 54 8.757 12.172 -1.931 369 HD3 PRO 54 2HD PRO 54 8.653 12.787 -3.593 370 H GLU 55 H GLU 55 9.587 9.477 -1.668 371 HA GLU 55 HA GLU 55 11.937 7.864 -1.114 372 HB2 GLU 55 1HB GLU 55 11.190 9.199 0.711 373 HB3 GLU 55 2HB GLU 55 9.532 8.644 0.528 374 HG2 GLU 55 1HG GLU 55 9.975 6.584 1.484 375 HG3 GLU 55 2HG GLU 55 11.707 6.704 1.179 376 H TYR 56 H TYR 56 8.489 7.431 -1.691 377 HA TYR 56 HA TYR 56 8.430 4.651 -1.115 378 HB2 TYR 56 1HB TYR 56 6.459 6.301 -1.253 379 HB3 TYR 56 2HB TYR 56 6.531 6.044 -2.993 380 HD1 TYR 56 1HD TYR 56 6.941 3.653 -0.155 381 HD2 TYR 56 2HD TYR 56 4.668 4.790 -3.567 382 HE1 TYR 56 1HE TYR 56 5.566 1.628 0.093 383 HE2 TYR 56 2HE TYR 56 3.286 2.770 -3.327 384 HH TYR 56 HH TYR 56 2.938 0.902 -2.186 385 H GLU 57 H GLU 57 8.532 6.461 -4.180 386 HA GLU 57 HA GLU 57 8.555 4.347 -5.952 387 HB2 GLU 57 1HB GLU 57 9.350 5.836 -7.568 388 HB3 GLU 57 2HB GLU 57 8.538 6.881 -6.411 389 HG2 GLU 57 1HG GLU 57 10.725 7.381 -5.381 390 HG3 GLU 57 2HG GLU 57 11.502 6.410 -6.630 391 H LYS 58 H LYS 58 11.080 5.466 -3.848 392 HA LYS 58 HA LYS 58 13.272 4.225 -5.141 393 HB2 LYS 58 1HB LYS 58 12.767 5.285 -2.386 394 HB3 LYS 58 2HB LYS 58 14.213 4.330 -2.692 395 HG2 LYS 58 1HG LYS 58 14.702 5.943 -4.586 396 HG3 LYS 58 2HG LYS 58 13.431 6.961 -3.907 397 HD2 LYS 58 1HD LYS 58 14.633 7.033 -1.774 398 HD3 LYS 58 2HD LYS 58 15.904 6.015 -2.456 399 HE2 LYS 58 1HE LYS 58 15.113 8.722 -3.524 400 HE3 LYS 58 2HE LYS 58 16.466 8.434 -2.430 401 HZ1 LYS 58 1HZ LYS 58 16.763 8.496 -5.036 402 HZ2 LYS 58 2HZ LYS 58 16.366 6.858 -4.887 403 HZ3 LYS 58 3HZ LYS 58 17.701 7.484 -4.057 404 H ILE 59 H ILE 59 11.062 3.161 -2.591 405 HA ILE 59 HA ILE 59 12.346 0.721 -2.015 406 HB ILE 59 HB ILE 59 9.413 1.394 -1.750 407 HG12 ILE 59 1HG1 ILE 59 11.452 1.444 0.460 408 HG13 ILE 59 2HG1 ILE 59 11.201 2.852 -0.566 409 HG21 ILE 59 1HG2 ILE 59 10.810 -0.583 -0.020 410 HG22 ILE 59 2HG2 ILE 59 9.116 -0.500 -0.502 411 HG23 ILE 59 3HG2 ILE 59 10.331 -1.071 -1.646 412 HD11 ILE 59 1HD1 ILE 59 9.353 1.597 1.408 413 HD12 ILE 59 2HD1 ILE 59 9.829 3.286 1.227 414 HD13 ILE 59 3HD1 ILE 59 8.711 2.556 0.075 415 H ALA 60 H ALA 60 9.951 1.629 -4.423 416 HA ALA 60 HA ALA 60 8.983 -0.771 -5.289 417 HB1 ALA 60 1HB ALA 60 8.076 0.992 -6.431 418 HB2 ALA 60 2HB ALA 60 9.637 1.770 -6.693 419 HB3 ALA 60 3HB ALA 60 9.181 0.364 -7.654 420 H SER 61 H SER 61 11.883 0.784 -6.680 421 HA SER 61 HA SER 61 12.694 -1.386 -8.231 422 HB2 SER 61 1HB SER 61 13.557 1.017 -8.302 423 HB3 SER 61 2HB SER 61 14.607 0.571 -6.957 424 HG SER 61 HG SER 61 15.894 -0.142 -8.450 425 H THR 62 H THR 62 13.106 -0.740 -4.838 426 HA THR 62 HA THR 62 15.198 -2.606 -4.361 427 HB THR 62 HB THR 62 13.142 -1.562 -2.404 428 HG1 THR 62 1HG THR 62 14.277 0.168 -3.267 429 HG21 THR 62 1HG2 THR 62 15.901 -2.690 -1.912 430 HG22 THR 62 2HG2 THR 62 14.392 -3.567 -1.653 431 HG23 THR 62 3HG2 THR 62 14.756 -2.134 -0.693 432 H LEU 63 H LEU 63 11.785 -2.784 -3.332 433 HA LEU 63 HA LEU 63 11.854 -5.539 -2.767 434 HB2 LEU 63 1HB LEU 63 9.599 -3.631 -3.318 435 HB3 LEU 63 2HB LEU 63 9.323 -5.328 -2.932 436 HG LEU 63 HG LEU 63 10.875 -3.538 -1.089 437 HD11 LEU 63 1HD1 LEU 63 8.839 -2.364 -1.313 438 HD12 LEU 63 2HD1 LEU 63 8.696 -3.315 0.164 439 HD13 LEU 63 3HD1 LEU 63 7.893 -3.853 -1.311 440 HD21 LEU 63 1HD2 LEU 63 10.150 -6.280 -1.124 441 HD22 LEU 63 2HD2 LEU 63 9.263 -5.498 0.185 442 HD23 LEU 63 3HD2 LEU 63 11.023 -5.389 0.123 443 H LYS 64 H LYS 64 11.550 -3.818 -5.721 444 HA LYS 64 HA LYS 64 10.084 -5.557 -7.309 445 HB2 LYS 64 1HB LYS 64 10.739 -3.407 -8.156 446 HB3 LYS 64 2HB LYS 64 12.445 -3.804 -7.997 447 HG2 LYS 64 1HG LYS 64 12.328 -5.371 -9.784 448 HG3 LYS 64 2HG LYS 64 10.567 -5.262 -9.840 449 HD2 LYS 64 1HD LYS 64 11.220 -3.912 -11.612 450 HD3 LYS 64 2HD LYS 64 10.981 -2.748 -10.307 451 HE2 LYS 64 1HE LYS 64 13.029 -2.204 -11.408 452 HE3 LYS 64 2HE LYS 64 13.429 -2.893 -9.836 453 HZ1 LYS 64 1HZ LYS 64 14.482 -3.682 -12.192 454 HZ2 LYS 64 2HZ LYS 64 13.272 -4.839 -11.950 455 HZ3 LYS 64 3HZ LYS 64 14.470 -4.610 -10.778 456 H ASP 65 H ASP 65 13.630 -5.482 -6.921 457 HA ASP 65 HA ASP 65 13.800 -8.151 -8.089 458 HB2 ASP 65 1HB ASP 65 16.049 -6.347 -7.177 459 HB3 ASP 65 2HB ASP 65 16.188 -7.784 -8.186 460 H ASN 66 H ASN 66 12.607 -7.760 -5.458 461 HA ASN 66 HA ASN 66 14.585 -8.988 -3.679 462 HB2 ASN 66 1HB ASN 66 13.364 -7.050 -2.797 463 HB3 ASN 66 2HB ASN 66 11.835 -7.880 -3.072 464 HD21 ASN 66 1HD2 ASN 66 11.215 -9.535 -1.713 465 HD22 ASN 66 2HD2 ASN 66 11.997 -9.840 -0.203 466 H ASP 67 H ASP 67 13.886 -10.808 -2.324 467 HA ASP 67 HA ASP 67 12.002 -12.565 -3.757 468 HB2 ASP 67 1HB ASP 67 14.341 -13.318 -3.968 469 HB3 ASP 67 2HB ASP 67 14.477 -13.371 -2.213 470 HA PRO 68 HA PRO 68 10.523 -13.871 -3.671 471 HB2 PRO 68 1HB PRO 68 7.863 -13.422 -3.362 472 HB3 PRO 68 2HB PRO 68 8.674 -14.862 -2.735 473 HG2 PRO 68 1HG PRO 68 7.892 -12.353 -1.301 474 HG3 PRO 68 2HG PRO 68 7.735 -14.039 -0.773 475 HD2 PRO 68 1HD PRO 68 9.734 -12.425 0.082 476 HD3 PRO 68 2HD PRO 68 9.944 -14.175 -0.130 477 HA PRO 69 HA PRO 69 10.094 -10.102 -5.896 478 HB2 PRO 69 1HB PRO 69 8.434 -10.806 -7.926 479 HB3 PRO 69 2HB PRO 69 10.114 -11.348 -7.827 480 HG2 PRO 69 1HG PRO 69 7.607 -12.800 -7.071 481 HG3 PRO 69 2HG PRO 69 9.030 -13.403 -7.939 482 HD2 PRO 69 1HD PRO 69 8.620 -13.881 -5.306 483 HD3 PRO 69 2HD PRO 69 10.243 -13.699 -6.002 484 H ILE 70 H ILE 70 9.016 -8.733 -4.469 485 HA ILE 70 HA ILE 70 6.116 -8.823 -4.312 486 HB ILE 70 HB ILE 70 8.046 -6.881 -3.037 487 HG12 ILE 70 1HG1 ILE 70 6.587 -9.117 -1.648 488 HG13 ILE 70 2HG1 ILE 70 8.156 -9.383 -2.400 489 HG21 ILE 70 1HG2 ILE 70 5.953 -6.681 -1.473 490 HG22 ILE 70 2HG2 ILE 70 6.050 -5.752 -2.968 491 HG23 ILE 70 3HG2 ILE 70 5.090 -7.229 -2.910 492 HD11 ILE 70 1HD1 ILE 70 8.290 -7.054 -0.762 493 HD12 ILE 70 2HD1 ILE 70 7.606 -8.389 0.166 494 HD13 ILE 70 3HD1 ILE 70 9.174 -8.573 -0.618 495 H ALA 71 H ALA 71 4.787 -6.972 -4.775 496 HA ALA 71 HA ALA 71 5.924 -5.212 -6.849 497 HB1 ALA 71 1HB ALA 71 4.357 -5.834 -8.295 498 HB2 ALA 71 2HB ALA 71 3.890 -7.100 -7.159 499 HB3 ALA 71 3HB ALA 71 3.076 -5.536 -7.120 500 H VAL 72 H VAL 72 6.148 -3.270 -5.929 501 HA VAL 72 HA VAL 72 4.316 -2.336 -3.896 502 HB VAL 72 HB VAL 72 6.588 -0.845 -5.215 503 HG11 VAL 72 1HG1 VAL 72 5.386 0.806 -4.170 504 HG12 VAL 72 2HG1 VAL 72 4.776 -0.278 -2.918 505 HG13 VAL 72 3HG1 VAL 72 6.443 0.295 -2.855 506 HG21 VAL 72 1HG2 VAL 72 7.084 -1.744 -2.520 507 HG22 VAL 72 2HG2 VAL 72 6.740 -3.105 -3.587 508 HG23 VAL 72 3HG2 VAL 72 8.046 -1.986 -3.978 509 H ALA 73 H ALA 73 2.548 -1.173 -4.246 510 HA ALA 73 HA ALA 73 2.348 0.401 -6.724 511 HB1 ALA 73 1HB ALA 73 -0.043 -1.018 -5.614 512 HB2 ALA 73 2HB ALA 73 0.226 -0.386 -7.239 513 HB3 ALA 73 3HB ALA 73 1.069 -1.842 -6.708 514 H LYS 74 H LYS 74 0.414 1.948 -6.584 515 HA LYS 74 HA LYS 74 0.010 2.923 -3.847 516 HB2 LYS 74 1HB LYS 74 0.491 5.200 -4.478 517 HB3 LYS 74 2HB LYS 74 1.873 4.196 -4.894 518 HG2 LYS 74 1HG LYS 74 1.162 4.166 -7.225 519 HG3 LYS 74 2HG LYS 74 -0.241 5.155 -6.813 520 HD2 LYS 74 1HD LYS 74 1.041 7.043 -6.426 521 HD3 LYS 74 2HD LYS 74 2.507 6.109 -6.122 522 HE2 LYS 74 1HE LYS 74 2.583 5.504 -8.510 523 HE3 LYS 74 2HE LYS 74 1.155 6.500 -8.792 524 HZ1 LYS 74 1HZ LYS 74 2.358 8.444 -8.206 525 HZ2 LYS 74 2HZ LYS 74 3.308 7.596 -9.319 526 HZ3 LYS 74 3HZ LYS 74 3.693 7.552 -7.672 527 H ILE 75 H ILE 75 -1.911 4.064 -3.505 528 HA ILE 75 HA ILE 75 -3.778 4.200 -5.769 529 HB ILE 75 HB ILE 75 -4.479 3.095 -3.047 530 HG12 ILE 75 1HG1 ILE 75 -4.731 1.532 -5.578 531 HG13 ILE 75 2HG1 ILE 75 -3.130 1.712 -4.869 532 HG21 ILE 75 1HG2 ILE 75 -6.164 3.413 -5.527 533 HG22 ILE 75 2HG2 ILE 75 -6.674 2.652 -4.021 534 HG23 ILE 75 3HG2 ILE 75 -6.297 4.374 -4.055 535 HD11 ILE 75 1HD1 ILE 75 -3.592 0.333 -3.159 536 HD12 ILE 75 2HD1 ILE 75 -5.259 0.889 -3.017 537 HD13 ILE 75 3HD1 ILE 75 -4.822 -0.277 -4.265 538 H ASP 76 H ASP 76 -5.357 5.806 -5.635 539 HA ASP 76 HA ASP 76 -4.745 7.922 -3.703 540 HB2 ASP 76 1HB ASP 76 -6.369 9.195 -5.353 541 HB3 ASP 76 2HB ASP 76 -4.679 8.929 -5.773 542 H ALA 77 H ALA 77 -5.862 7.078 -1.916 543 HA ALA 77 HA ALA 77 -8.359 6.029 -1.721 544 HB1 ALA 77 1HB ALA 77 -6.670 6.554 0.130 545 HB2 ALA 77 2HB ALA 77 -7.466 8.125 0.230 546 HB3 ALA 77 3HB ALA 77 -8.385 6.651 0.532 547 H THR 78 H THR 78 -7.632 9.519 -1.620 548 HA THR 78 HA THR 78 -10.090 10.610 -1.330 549 HB THR 78 HB THR 78 -8.291 12.118 -1.543 550 HG1 THR 78 1HG THR 78 -10.434 12.537 -2.806 551 HG21 THR 78 1HG2 THR 78 -6.945 10.585 -3.033 552 HG22 THR 78 2HG2 THR 78 -6.833 12.303 -3.414 553 HG23 THR 78 3HG2 THR 78 -7.849 11.247 -4.394 554 H SER 79 H SER 79 -8.876 8.970 -4.170 555 HA SER 79 HA SER 79 -11.269 9.665 -5.696 556 HB2 SER 79 1HB SER 79 -9.042 9.777 -6.798 557 HB3 SER 79 2HB SER 79 -8.860 8.041 -6.550 558 HG SER 79 HG SER 79 -11.185 8.906 -7.810 559 H ALA 80 H ALA 80 -9.676 6.911 -4.205 560 HA ALA 80 HA ALA 80 -11.807 5.118 -5.094 561 HB1 ALA 80 1HB ALA 80 -10.383 3.389 -4.768 562 HB2 ALA 80 2HB ALA 80 -9.177 4.665 -4.941 563 HB3 ALA 80 3HB ALA 80 -9.653 4.114 -3.335 564 H SER 81 H SER 81 -13.515 4.726 -3.862 565 HA SER 81 HA SER 81 -13.444 5.511 -1.043 566 HB2 SER 81 1HB SER 81 -15.676 5.006 -3.000 567 HB3 SER 81 2HB SER 81 -15.982 5.083 -1.265 568 HG SER 81 HG SER 81 -15.662 7.094 -2.989 569 H MET 82 H MET 82 -14.176 2.744 -3.116 570 HA MET 82 HA MET 82 -15.079 0.955 -1.192 571 HB2 MET 82 1HB MET 82 -13.824 0.722 -3.867 572 HB3 MET 82 2HB MET 82 -13.785 -0.718 -2.858 573 HG2 MET 82 1HG MET 82 -16.225 -0.584 -2.607 574 HG3 MET 82 2HG MET 82 -16.240 0.819 -3.673 575 HE1 MET 82 1HE MET 82 -14.133 -2.692 -5.615 576 HE2 MET 82 2HE MET 82 -13.452 -1.188 -4.994 577 HE3 MET 82 3HE MET 82 -14.046 -2.416 -3.875 578 H LEU 83 H LEU 83 -11.793 0.867 -2.577 579 HA LEU 83 HA LEU 83 -10.668 -0.764 -0.638 580 HB2 LEU 83 1HB LEU 83 -9.199 1.434 -2.074 581 HB3 LEU 83 2HB LEU 83 -8.537 -0.076 -1.451 582 HG LEU 83 HG LEU 83 -10.456 0.161 -3.768 583 HD11 LEU 83 1HD1 LEU 83 -7.500 -0.429 -3.750 584 HD12 LEU 83 2HD1 LEU 83 -8.241 1.084 -4.272 585 HD13 LEU 83 3HD1 LEU 83 -8.555 -0.405 -5.163 586 HD21 LEU 83 1HD2 LEU 83 -10.737 -1.939 -2.634 587 HD22 LEU 83 2HD2 LEU 83 -8.992 -2.194 -2.584 588 HD23 LEU 83 3HD2 LEU 83 -9.843 -2.215 -4.129 589 H ALA 84 H ALA 84 -10.848 2.774 -0.752 590 HA ALA 84 HA ALA 84 -9.301 3.436 1.427 591 HB1 ALA 84 1HB ALA 84 -10.099 5.225 0.167 592 HB2 ALA 84 2HB ALA 84 -11.775 4.685 0.284 593 HB3 ALA 84 3HB ALA 84 -10.970 5.373 1.694 594 H SER 85 H SER 85 -12.660 2.332 1.381 595 HA SER 85 HA SER 85 -12.986 2.615 4.223 596 HB2 SER 85 1HB SER 85 -14.831 2.723 2.432 597 HB3 SER 85 2HB SER 85 -14.751 0.961 2.425 598 HG SER 85 HG SER 85 -15.049 2.380 4.840 599 H LYS 86 H LYS 86 -12.011 0.102 2.019 600 HA LYS 86 HA LYS 86 -12.422 -2.166 3.580 601 HB2 LYS 86 1HB LYS 86 -11.690 -2.127 1.184 602 HB3 LYS 86 2HB LYS 86 -10.079 -1.682 1.732 603 HG2 LYS 86 1HG LYS 86 -9.731 -3.761 2.756 604 HG3 LYS 86 2HG LYS 86 -11.446 -4.172 2.695 605 HD2 LYS 86 1HD LYS 86 -11.367 -4.760 0.486 606 HD3 LYS 86 2HD LYS 86 -10.044 -3.649 0.126 607 HE2 LYS 86 1HE LYS 86 -8.659 -5.239 1.654 608 HE3 LYS 86 2HE LYS 86 -9.951 -6.391 1.318 609 HZ1 LYS 86 1HZ LYS 86 -8.624 -4.968 -0.894 610 HZ2 LYS 86 2HZ LYS 86 -9.430 -6.455 -0.914 611 HZ3 LYS 86 3HZ LYS 86 -7.897 -6.333 -0.209 612 H PHE 87 H PHE 87 -9.431 -0.239 3.300 613 HA PHE 87 HA PHE 87 -8.429 -1.486 5.744 614 HB2 PHE 87 1HB PHE 87 -6.960 0.510 4.028 615 HB3 PHE 87 2HB PHE 87 -6.284 -0.668 5.148 616 HD1 PHE 87 2HD PHE 87 -8.062 -0.324 1.919 617 HD2 PHE 87 1HD PHE 87 -5.683 -2.809 4.426 618 HE1 PHE 87 2HE PHE 87 -7.777 -1.916 0.065 619 HE2 PHE 87 1HE PHE 87 -5.393 -4.404 2.575 620 HZ PHE 87 HZ PHE 87 -6.442 -3.959 0.391 621 H ASP 88 H ASP 88 -10.606 0.602 5.578 622 HA ASP 88 HA ASP 88 -11.191 2.618 6.521 623 HB2 ASP 88 1HB ASP 88 -10.835 0.793 8.390 624 HB3 ASP 88 2HB ASP 88 -9.502 1.842 8.866 625 H VAL 89 H VAL 89 -9.179 3.158 4.809 626 HA VAL 89 HA VAL 89 -6.936 4.434 6.012 627 HB VAL 89 HB VAL 89 -8.081 4.764 3.235 628 HG11 VAL 89 1HG1 VAL 89 -6.619 6.413 2.962 629 HG12 VAL 89 2HG1 VAL 89 -6.009 6.193 4.603 630 HG13 VAL 89 3HG1 VAL 89 -5.315 5.267 3.271 631 HG21 VAL 89 1HG2 VAL 89 -6.971 2.919 2.601 632 HG22 VAL 89 2HG2 VAL 89 -5.574 3.291 3.611 633 HG23 VAL 89 3HG2 VAL 89 -6.991 2.513 4.317 634 H SER 90 H SER 90 -7.389 6.040 7.423 635 HA SER 90 HA SER 90 -9.037 8.275 6.433 636 HB2 SER 90 1HB SER 90 -8.693 7.212 9.240 637 HB3 SER 90 2HB SER 90 -9.409 8.786 8.893 638 HG SER 90 HG SER 90 -11.194 7.783 8.480 639 H GLY 91 H GLY 91 -6.247 7.967 5.907 640 HA2 GLY 91 1HA GLY 91 -5.316 10.532 6.564 641 HA3 GLY 91 2HA GLY 91 -4.603 9.387 7.692 642 H TYR 92 H TYR 92 -2.849 10.707 6.239 643 HA TYR 92 HA TYR 92 -1.633 8.648 4.643 644 HB2 TYR 92 1HB TYR 92 -2.016 11.252 3.205 645 HB3 TYR 92 2HB TYR 92 -1.636 9.664 2.547 646 HD1 TYR 92 2HD TYR 92 -4.340 11.752 3.954 647 HD2 TYR 92 1HD TYR 92 -3.359 8.156 1.903 648 HE1 TYR 92 2HE TYR 92 -6.719 11.405 3.438 649 HE2 TYR 92 1HE TYR 92 -5.736 7.799 1.380 650 HH TYR 92 HH TYR 92 -8.213 10.129 2.411 651 HA PRO 93 HA PRO 93 0.078 8.698 3.061 652 HB2 PRO 93 1HB PRO 93 2.429 7.446 3.588 653 HB3 PRO 93 2HB PRO 93 2.324 8.931 2.635 654 HG2 PRO 93 1HG PRO 93 3.042 8.579 5.520 655 HG3 PRO 93 2HG PRO 93 3.795 9.620 4.298 656 HD2 PRO 93 1HD PRO 93 2.044 10.563 6.136 657 HD3 PRO 93 2HD PRO 93 2.175 11.247 4.503 658 H THR 94 H THR 94 -0.396 6.493 3.078 659 HA THR 94 HA THR 94 -0.410 5.155 5.695 660 HB THR 94 HB THR 94 -2.745 5.366 3.791 661 HG1 THR 94 1HG THR 94 -2.647 7.034 5.306 662 HG21 THR 94 1HG2 THR 94 -3.806 3.900 5.695 663 HG22 THR 94 2HG2 THR 94 -2.140 3.372 5.929 664 HG23 THR 94 3HG2 THR 94 -2.927 3.142 4.368 665 H ILE 95 H ILE 95 0.891 3.460 5.443 666 HA ILE 95 HA ILE 95 1.007 2.079 2.872 667 HB ILE 95 HB ILE 95 2.714 1.798 5.346 668 HG12 ILE 95 1HG1 ILE 95 3.388 2.891 2.607 669 HG13 ILE 95 2HG1 ILE 95 2.999 3.885 4.007 670 HG21 ILE 95 1HG2 ILE 95 2.590 0.225 2.822 671 HG22 ILE 95 2HG2 ILE 95 4.161 0.515 3.566 672 HG23 ILE 95 3HG2 ILE 95 2.896 -0.312 4.473 673 HD11 ILE 95 1HD1 ILE 95 5.200 3.928 4.338 674 HD12 ILE 95 2HD1 ILE 95 4.995 2.293 4.968 675 HD13 ILE 95 3HD1 ILE 95 5.479 2.537 3.290 676 H LYS 96 H LYS 96 0.300 0.042 2.534 677 HA LYS 96 HA LYS 96 -0.626 -1.529 4.832 678 HB2 LYS 96 1HB LYS 96 -2.239 -0.894 2.358 679 HB3 LYS 96 2HB LYS 96 -2.664 -2.161 3.500 680 HG2 LYS 96 1HG LYS 96 -2.229 0.579 4.555 681 HG3 LYS 96 2HG LYS 96 -3.708 0.254 3.648 682 HD2 LYS 96 1HD LYS 96 -4.397 -1.407 5.177 683 HD3 LYS 96 2HD LYS 96 -2.800 -1.491 5.924 684 HE2 LYS 96 1HE LYS 96 -4.446 -0.291 7.317 685 HE3 LYS 96 2HE LYS 96 -3.076 0.719 6.857 686 HZ1 LYS 96 1HZ LYS 96 -4.751 1.269 4.881 687 HZ2 LYS 96 2HZ LYS 96 -4.718 2.146 6.327 688 HZ3 LYS 96 3HZ LYS 96 -5.875 0.933 6.100 689 H ILE 97 H ILE 97 -1.103 -3.820 4.206 690 HA ILE 97 HA ILE 97 0.427 -4.713 1.868 691 HB ILE 97 HB ILE 97 0.801 -5.735 4.683 692 HG12 ILE 97 1HG1 ILE 97 3.002 -4.900 2.837 693 HG13 ILE 97 2HG1 ILE 97 2.052 -3.656 3.642 694 HG21 ILE 97 1HG2 ILE 97 0.686 -7.640 3.225 695 HG22 ILE 97 2HG2 ILE 97 1.783 -6.878 2.074 696 HG23 ILE 97 3HG2 ILE 97 2.372 -7.365 3.663 697 HD11 ILE 97 1HD1 ILE 97 4.038 -5.532 4.736 698 HD12 ILE 97 2HD1 ILE 97 3.646 -3.878 5.209 699 HD13 ILE 97 3HD1 ILE 97 2.626 -5.214 5.743 700 H LEU 98 H LEU 98 -0.876 -5.918 0.672 701 HA LEU 98 HA LEU 98 -3.163 -7.250 1.878 702 HB2 LEU 98 1HB LEU 98 -3.218 -5.890 -0.278 703 HB3 LEU 98 2HB LEU 98 -2.406 -7.261 -1.029 704 HG LEU 98 HG LEU 98 -4.383 -8.660 -0.234 705 HD11 LEU 98 1HD1 LEU 98 -5.648 -5.937 0.030 706 HD12 LEU 98 2HD1 LEU 98 -5.230 -6.994 1.379 707 HD13 LEU 98 3HD1 LEU 98 -6.448 -7.499 0.208 708 HD21 LEU 98 1HD2 LEU 98 -3.888 -7.620 -2.575 709 HD22 LEU 98 2HD2 LEU 98 -5.260 -6.580 -2.189 710 HD23 LEU 98 3HD2 LEU 98 -5.466 -8.332 -2.240 711 H LYS 99 H LYS 99 -2.792 -9.181 2.751 712 HA LYS 99 HA LYS 99 -0.911 -11.007 1.423 713 HB2 LYS 99 1HB LYS 99 -0.598 -10.411 3.864 714 HB3 LYS 99 2HB LYS 99 -2.085 -11.291 4.190 715 HG2 LYS 99 1HG LYS 99 -0.504 -12.890 4.631 716 HG3 LYS 99 2HG LYS 99 -0.879 -13.235 2.941 717 HD2 LYS 99 1HD LYS 99 1.071 -11.695 2.367 718 HD3 LYS 99 2HD LYS 99 1.512 -11.804 4.072 719 HE2 LYS 99 1HE LYS 99 1.007 -14.313 2.543 720 HE3 LYS 99 2HE LYS 99 2.528 -13.457 2.298 721 HZ1 LYS 99 1HZ LYS 99 1.485 -14.400 4.914 722 HZ2 LYS 99 2HZ LYS 99 2.952 -13.595 4.669 723 HZ3 LYS 99 3HZ LYS 99 2.717 -15.141 4.023 724 H LYS 100 H LYS 100 -1.964 -12.203 -0.042 725 HA LYS 100 HA LYS 100 -3.577 -13.489 -1.032 726 HB2 LYS 100 1HB LYS 100 -3.732 -14.655 1.753 727 HB3 LYS 100 2HB LYS 100 -4.217 -15.452 0.262 728 HG2 LYS 100 1HG LYS 100 -1.888 -15.382 -0.514 729 HG3 LYS 100 2HG LYS 100 -1.418 -14.634 1.014 730 HD2 LYS 100 1HD LYS 100 -2.449 -16.664 2.148 731 HD3 LYS 100 2HD LYS 100 -2.494 -17.404 0.546 732 HE2 LYS 100 1HE LYS 100 -0.092 -17.176 0.341 733 HE3 LYS 100 2HE LYS 100 -0.013 -16.327 1.884 734 HZ1 LYS 100 1HZ LYS 100 0.566 -18.482 2.428 735 HZ2 LYS 100 2HZ LYS 100 -0.556 -19.179 1.371 736 HZ3 LYS 100 3HZ LYS 100 -1.083 -18.454 2.805 737 H GLY 101 H GLY 101 -4.491 -10.985 0.322 738 HA2 GLY 101 1HA GLY 101 -6.706 -10.118 0.011 739 HA3 GLY 101 2HA GLY 101 -7.343 -11.706 0.412 740 H GLN 102 H GLN 102 -4.788 -10.636 2.404 741 HA GLN 102 HA GLN 102 -6.727 -9.964 4.516 742 HB2 GLN 102 1HB GLN 102 -5.578 -11.978 5.095 743 HB3 GLN 102 2HB GLN 102 -4.018 -11.282 4.674 744 HG2 GLN 102 1HG GLN 102 -4.244 -11.387 7.063 745 HG3 GLN 102 2HG GLN 102 -4.238 -9.703 6.541 746 HE21 GLN 102 1HE2 GLN 102 -5.717 -8.459 7.420 747 HE22 GLN 102 2HE2 GLN 102 -7.220 -8.978 8.096 748 H ALA 103 H ALA 103 -6.770 -7.889 5.033 749 HA ALA 103 HA ALA 103 -4.741 -6.057 4.214 750 HB1 ALA 103 1HB ALA 103 -7.391 -5.911 5.418 751 HB2 ALA 103 2HB ALA 103 -6.280 -4.680 6.021 752 HB3 ALA 103 3HB ALA 103 -6.594 -4.813 4.291 753 H VAL 104 H VAL 104 -2.957 -5.460 5.254 754 HA VAL 104 HA VAL 104 -2.761 -6.028 8.141 755 HB VAL 104 HB VAL 104 -0.565 -6.193 6.072 756 HG11 VAL 104 1HG1 VAL 104 -0.272 -5.449 8.691 757 HG12 VAL 104 2HG1 VAL 104 -0.013 -7.193 8.760 758 HG13 VAL 104 3HG1 VAL 104 0.977 -6.195 7.694 759 HG21 VAL 104 1HG2 VAL 104 -1.760 -8.357 7.799 760 HG22 VAL 104 2HG2 VAL 104 -2.165 -8.090 6.103 761 HG23 VAL 104 3HG2 VAL 104 -0.525 -8.553 6.556 762 H ASP 105 H ASP 105 -3.163 -4.033 8.967 763 HA ASP 105 HA ASP 105 -2.295 -1.596 7.858 764 HB2 ASP 105 1HB ASP 105 -2.763 -1.946 10.804 765 HB3 ASP 105 2HB ASP 105 -3.153 -0.570 9.776 766 H TYR 106 H TYR 106 -0.347 -0.705 7.791 767 HA TYR 106 HA TYR 106 1.831 -1.894 9.292 768 HB2 TYR 106 1HB TYR 106 2.266 -1.410 6.976 769 HB3 TYR 106 2HB TYR 106 1.752 0.261 7.175 770 HD1 TYR 106 2HD TYR 106 4.334 -2.167 8.317 771 HD2 TYR 106 1HD TYR 106 3.322 1.914 7.669 772 HE1 TYR 106 2HE TYR 106 6.655 -1.520 8.810 773 HE2 TYR 106 1HE TYR 106 5.640 2.573 8.158 774 HH TYR 106 HH TYR 106 7.765 1.791 8.400 775 H ASP 107 H ASP 107 2.486 -1.167 11.194 776 HA ASP 107 HA ASP 107 1.898 1.630 11.912 777 HB2 ASP 107 1HB ASP 107 1.785 -0.900 13.510 778 HB3 ASP 107 2HB ASP 107 2.141 0.620 14.325 779 H GLY 108 H GLY 108 3.733 2.744 11.626 780 HA2 GLY 108 1HA GLY 108 5.893 2.611 13.314 781 HA3 GLY 108 2HA GLY 108 6.328 1.578 11.960 782 H SER 109 H SER 109 8.070 3.333 11.974 783 HA SER 109 HA SER 109 7.318 5.889 10.890 784 HB2 SER 109 1HB SER 109 9.411 5.177 12.366 785 HB3 SER 109 2HB SER 109 10.140 4.922 10.780 786 HG SER 109 HG SER 109 10.067 7.021 10.386 787 H ARG 110 H ARG 110 7.990 6.710 8.832 788 HA ARG 110 HA ARG 110 7.762 4.708 6.738 789 HB2 ARG 110 1HB ARG 110 7.400 7.647 6.933 790 HB3 ARG 110 2HB ARG 110 7.920 7.018 5.375 791 HG2 ARG 110 1HG ARG 110 5.688 6.891 5.053 792 HG3 ARG 110 2HG ARG 110 5.916 5.329 5.843 793 HD2 ARG 110 1HD ARG 110 4.015 6.607 6.767 794 HD3 ARG 110 2HD ARG 110 5.257 6.257 7.968 795 HE ARG 110 HE ARG 110 5.576 8.819 6.716 796 HH11 ARG 110 2HH1 ARG 110 3.970 7.070 9.261 797 HH12 ARG 110 1HH1 ARG 110 3.728 8.472 10.250 798 HH21 ARG 110 2HH2 ARG 110 5.264 10.672 8.008 799 HH22 ARG 110 1HH2 ARG 110 4.464 10.520 9.536 800 H THR 111 H THR 111 9.608 3.716 6.216 801 HA THR 111 HA THR 111 11.797 5.292 5.180 802 HB THR 111 HB THR 111 13.408 3.777 6.622 803 HG1 THR 111 1HG THR 111 11.772 2.673 7.750 804 HG21 THR 111 1HG2 THR 111 12.940 6.374 6.580 805 HG22 THR 111 2HG2 THR 111 13.912 5.646 7.860 806 HG23 THR 111 3HG2 THR 111 12.219 6.041 8.154 807 H GLN 112 H GLN 112 13.153 4.133 3.799 808 HA GLN 112 HA GLN 112 12.032 1.999 2.411 809 HB2 GLN 112 1HB GLN 112 14.955 2.759 2.554 810 HB3 GLN 112 2HB GLN 112 14.203 1.780 1.301 811 HG2 GLN 112 1HG GLN 112 14.228 3.779 0.237 812 HG3 GLN 112 2HG GLN 112 12.670 3.914 1.051 813 HE21 GLN 112 1HE2 GLN 112 13.843 6.178 0.254 814 HE22 GLN 112 2HE2 GLN 112 14.472 7.060 1.600 815 H GLU 113 H GLU 113 13.994 2.032 5.265 816 HA GLU 113 HA GLU 113 14.770 -0.730 5.110 817 HB2 GLU 113 1HB GLU 113 14.949 1.373 7.254 818 HB3 GLU 113 2HB GLU 113 15.382 -0.300 7.573 819 HG2 GLU 113 1HG GLU 113 17.162 -0.240 6.030 820 HG3 GLU 113 2HG GLU 113 16.605 1.281 5.334 821 H GLU 114 H GLU 114 12.720 1.021 7.450 822 HA GLU 114 HA GLU 114 11.597 -1.201 8.667 823 HB2 GLU 114 1HB GLU 114 10.243 1.462 8.202 824 HB3 GLU 114 2HB GLU 114 9.823 0.282 9.436 825 HG2 GLU 114 1HG GLU 114 12.596 1.344 9.383 826 HG3 GLU 114 2HG GLU 114 11.304 2.382 9.983 827 H ILE 115 H ILE 115 10.002 0.825 6.198 828 HA ILE 115 HA ILE 115 7.772 -0.664 5.719 829 HB ILE 115 HB ILE 115 9.441 0.702 3.604 830 HG12 ILE 115 1HG1 ILE 115 7.009 1.862 4.924 831 HG13 ILE 115 2HG1 ILE 115 8.580 1.990 5.707 832 HG21 ILE 115 1HG2 ILE 115 7.701 0.523 2.136 833 HG22 ILE 115 2HG2 ILE 115 7.493 -0.982 3.029 834 HG23 ILE 115 3HG2 ILE 115 6.489 0.417 3.412 835 HD11 ILE 115 1HD1 ILE 115 9.461 3.144 3.749 836 HD12 ILE 115 2HD1 ILE 115 7.886 3.015 2.965 837 HD13 ILE 115 3HD1 ILE 115 8.067 3.984 4.428 838 H VAL 116 H VAL 116 10.958 -1.147 4.220 839 HA VAL 116 HA VAL 116 10.154 -3.399 2.675 840 HB VAL 116 HB VAL 116 12.871 -2.365 3.470 841 HG11 VAL 116 1HG1 VAL 116 13.067 -4.760 3.207 842 HG12 VAL 116 2HG1 VAL 116 12.204 -4.691 1.670 843 HG13 VAL 116 3HG1 VAL 116 13.798 -3.951 1.821 844 HG21 VAL 116 1HG2 VAL 116 11.572 -2.457 0.756 845 HG22 VAL 116 2HG2 VAL 116 11.432 -1.079 1.848 846 HG23 VAL 116 3HG2 VAL 116 13.014 -1.565 1.239 847 H ALA 117 H ALA 117 11.239 -2.963 5.936 848 HA ALA 117 HA ALA 117 12.103 -5.632 6.412 849 HB1 ALA 117 1HB ALA 117 12.812 -3.749 7.810 850 HB2 ALA 117 2HB ALA 117 11.156 -3.560 8.388 851 HB3 ALA 117 3HB ALA 117 12.061 -5.026 8.767 852 H LYS 118 H LYS 118 9.013 -4.020 6.479 853 HA LYS 118 HA LYS 118 7.715 -6.280 7.781 854 HB2 LYS 118 1HB LYS 118 6.908 -4.162 8.502 855 HB3 LYS 118 2HB LYS 118 6.736 -3.585 6.850 856 HG2 LYS 118 1HG LYS 118 4.559 -4.036 7.624 857 HG3 LYS 118 2HG LYS 118 4.976 -5.362 6.536 858 HD2 LYS 118 1HD LYS 118 4.043 -6.476 8.340 859 HD3 LYS 118 2HD LYS 118 5.768 -6.552 8.705 860 HE2 LYS 118 1HE LYS 118 5.552 -4.650 10.204 861 HE3 LYS 118 2HE LYS 118 3.841 -4.507 9.804 862 HZ1 LYS 118 1HZ LYS 118 3.304 -6.332 11.032 863 HZ2 LYS 118 2HZ LYS 118 4.629 -5.784 11.930 864 HZ3 LYS 118 3HZ LYS 118 4.816 -7.067 10.843 865 H VAL 119 H VAL 119 7.811 -4.668 4.639 866 HA VAL 119 HA VAL 119 5.818 -6.236 3.393 867 HB VAL 119 HB VAL 119 8.162 -4.846 2.088 868 HG11 VAL 119 1HG1 VAL 119 6.705 -6.608 0.833 869 HG12 VAL 119 2HG1 VAL 119 5.510 -5.310 0.795 870 HG13 VAL 119 3HG1 VAL 119 7.095 -5.073 0.058 871 HG21 VAL 119 1HG2 VAL 119 7.183 -2.893 2.497 872 HG22 VAL 119 2HG2 VAL 119 5.648 -3.473 1.853 873 HG23 VAL 119 3HG2 VAL 119 6.045 -3.732 3.551 874 H ARG 120 H ARG 120 9.249 -6.700 3.907 875 HA ARG 120 HA ARG 120 9.478 -8.914 2.096 876 HB2 ARG 120 1HB ARG 120 11.723 -9.055 2.769 877 HB3 ARG 120 2HB ARG 120 11.349 -7.339 2.859 878 HG2 ARG 120 1HG ARG 120 10.980 -7.593 5.293 879 HG3 ARG 120 2HG ARG 120 11.491 -9.276 5.158 880 HD2 ARG 120 1HD ARG 120 13.163 -6.880 4.410 881 HD3 ARG 120 2HD ARG 120 13.306 -7.790 5.913 882 HE ARG 120 HE ARG 120 13.571 -9.437 3.586 883 HH11 ARG 120 2HH1 ARG 120 15.255 -7.278 5.737 884 HH12 ARG 120 1HH1 ARG 120 16.814 -7.961 5.412 885 HH21 ARG 120 2HH2 ARG 120 15.618 -10.344 3.150 886 HH22 ARG 120 1HH2 ARG 120 17.019 -9.704 3.940 887 H GLU 121 H GLU 121 9.146 -8.527 5.599 888 HA GLU 121 HA GLU 121 9.353 -11.291 6.209 889 HB2 GLU 121 1HB GLU 121 8.992 -10.687 8.393 890 HB3 GLU 121 2HB GLU 121 9.516 -9.143 7.735 891 HG2 GLU 121 1HG GLU 121 7.174 -8.465 7.486 892 HG3 GLU 121 2HG GLU 121 6.667 -10.002 8.185 893 H VAL 122 H VAL 122 6.587 -9.114 5.757 894 HA VAL 122 HA VAL 122 4.560 -10.960 6.335 895 HB VAL 122 HB VAL 122 4.485 -8.598 4.452 896 HG11 VAL 122 1HG1 VAL 122 1.958 -8.836 5.301 897 HG12 VAL 122 2HG1 VAL 122 2.553 -9.603 3.827 898 HG13 VAL 122 3HG1 VAL 122 2.427 -10.535 5.319 899 HG21 VAL 122 1HG2 VAL 122 4.899 -8.593 7.156 900 HG22 VAL 122 2HG2 VAL 122 4.212 -7.260 6.229 901 HG23 VAL 122 3HG2 VAL 122 3.149 -8.406 7.044 902 H SER 123 H SER 123 6.025 -10.064 3.220 903 HA SER 123 HA SER 123 4.515 -11.552 1.489 904 HB2 SER 123 1HB SER 123 6.248 -11.342 -0.055 905 HB3 SER 123 2HB SER 123 6.596 -10.028 1.068 906 HG SER 123 HG SER 123 7.906 -11.846 2.145 907 H GLN 124 H GLN 124 6.945 -12.678 3.736 908 HA GLN 124 HA GLN 124 7.466 -15.213 2.745 909 HB2 GLN 124 1HB GLN 124 7.210 -14.388 5.642 910 HB3 GLN 124 2HB GLN 124 8.014 -15.839 5.059 911 HG2 GLN 124 1HG GLN 124 8.840 -12.998 4.509 912 HG3 GLN 124 2HG GLN 124 9.632 -14.130 5.604 913 HE21 GLN 124 1HE2 GLN 124 9.861 -12.756 2.670 914 HE22 GLN 124 2HE2 GLN 124 10.771 -13.964 1.835 915 HA PRO 125 HA PRO 125 3.657 -17.397 3.069 916 HB2 PRO 125 1HB PRO 125 4.629 -19.931 3.137 917 HB3 PRO 125 2HB PRO 125 4.605 -18.950 1.667 918 HG2 PRO 125 1HG PRO 125 6.865 -19.473 3.559 919 HG3 PRO 125 2HG PRO 125 6.873 -19.448 1.785 920 HD2 PRO 125 1HD PRO 125 7.750 -17.364 3.276 921 HD3 PRO 125 2HD PRO 125 6.976 -17.147 1.693 922 H ASP 126 H ASP 126 6.217 -17.825 5.406 923 HA ASP 126 HA ASP 126 4.651 -19.376 7.246 924 HB2 ASP 126 1HB ASP 126 7.312 -17.977 7.431 925 HB3 ASP 126 2HB ASP 126 6.567 -18.733 8.837 926 H TRP 127 H TRP 127 5.509 -15.976 6.880 927 HA TRP 127 HA TRP 127 4.725 -14.895 9.259 928 HB2 TRP 127 1HB TRP 127 5.644 -13.536 7.465 929 HB3 TRP 127 2HB TRP 127 4.201 -13.797 6.489 930 HD1 TRP 127 HD TRP 127 5.563 -11.646 9.284 931 HE1 TRP 127 1HE TRP 127 3.840 -9.827 9.874 932 HE3 TRP 127 3HE TRP 127 1.595 -13.377 6.567 933 HZ2 TRP 127 2HZ TRP 127 1.153 -9.209 9.267 934 HZ3 TRP 127 3HZ TRP 127 -0.516 -12.114 6.626 935 HH2 TRP 127 HH TRP 127 -0.730 -10.074 7.949 936 H THR 128 H THR 128 2.771 -13.951 10.041 937 HA THR 128 HA THR 128 0.278 -14.780 8.777 938 HB THR 128 HB THR 128 -0.595 -15.667 10.956 939 HG1 THR 128 1HG THR 128 1.120 -14.731 12.253 940 HG21 THR 128 1HG2 THR 128 1.752 -17.160 9.776 941 HG22 THR 128 2HG2 THR 128 0.104 -17.172 9.148 942 HG23 THR 128 3HG2 THR 128 0.450 -17.867 10.731 943 HA PRO 129 HA PRO 129 -1.062 -10.843 10.213 944 HB2 PRO 129 1HB PRO 129 -3.746 -11.247 10.206 945 HB3 PRO 129 2HB PRO 129 -2.800 -11.053 8.725 946 HG2 PRO 129 1HG PRO 129 -3.785 -13.561 10.029 947 HG3 PRO 129 2HG PRO 129 -3.782 -13.120 8.311 948 HD2 PRO 129 1HD PRO 129 -1.925 -14.765 9.397 949 HD3 PRO 129 2HD PRO 129 -1.560 -13.675 8.044 950 HA PRO 130 HA PRO 130 -1.591 -11.184 14.584 951 HB2 PRO 130 1HB PRO 130 -2.423 -8.651 15.095 952 HB3 PRO 130 2HB PRO 130 -0.748 -9.049 14.698 953 HG2 PRO 130 1HG PRO 130 -2.907 -7.962 12.932 954 HG3 PRO 130 2HG PRO 130 -1.200 -7.491 13.032 955 HD2 PRO 130 1HD PRO 130 -2.150 -9.119 11.088 956 HD3 PRO 130 2HD PRO 130 -0.504 -9.265 11.736 957 HA PRO 131 HA PRO 131 -5.818 -11.945 15.528 958 HB2 PRO 131 1HB PRO 131 -5.953 -11.229 18.143 959 HB3 PRO 131 2HB PRO 131 -5.119 -12.685 17.588 960 HG2 PRO 131 1HG PRO 131 -3.984 -10.011 18.309 961 HG3 PRO 131 2HG PRO 131 -3.382 -11.628 18.716 962 HD2 PRO 131 1HD PRO 131 -2.331 -10.145 16.710 963 HD3 PRO 131 2HD PRO 131 -2.397 -11.918 16.653 964 H GLU 132 H GLU 132 -4.631 -8.861 15.284 965 HA GLU 132 HA GLU 132 -6.819 -7.374 16.366 966 HB2 GLU 132 1HB GLU 132 -4.601 -6.372 16.124 967 HB3 GLU 132 2HB GLU 132 -4.688 -6.568 14.379 968 HG2 GLU 132 1HG GLU 132 -5.177 -4.311 14.813 969 HG3 GLU 132 2HG GLU 132 -6.716 -5.078 14.427 970 H VAL 133 H VAL 133 -8.573 -8.577 15.372 971 HA VAL 133 HA VAL 133 -8.947 -8.514 12.535 972 HB VAL 133 HB VAL 133 -11.363 -9.145 13.222 973 HG11 VAL 133 1HG1 VAL 133 -10.655 -11.473 13.692 974 HG12 VAL 133 2HG1 VAL 133 -9.809 -10.751 12.321 975 HG13 VAL 133 3HG1 VAL 133 -8.999 -10.897 13.882 976 HG21 VAL 133 1HG2 VAL 133 -10.407 -10.178 15.761 977 HG22 VAL 133 2HG2 VAL 133 -10.424 -8.415 15.719 978 HG23 VAL 133 3HG2 VAL 133 -11.900 -9.318 15.381 979 H THR 134 H THR 134 -9.130 -6.557 11.611 980 HA THR 134 HA THR 134 -10.681 -4.455 12.885 981 HB THR 134 HB THR 134 -9.973 -3.075 10.930 982 HG1 THR 134 1HG THR 134 -8.030 -4.812 10.112 983 HG21 THR 134 1HG2 THR 134 -8.001 -4.454 12.706 984 HG22 THR 134 2HG2 THR 134 -8.551 -2.779 12.731 985 HG23 THR 134 3HG2 THR 134 -7.430 -3.321 11.482 986 H SER 135 H SER 135 -12.229 -6.671 12.178 987 HA SER 135 HA SER 135 -13.685 -5.801 9.780 988 HB2 SER 135 1HB SER 135 -13.844 -8.402 11.323 989 HB3 SER 135 2HB SER 135 -14.772 -8.022 9.872 990 HG SER 135 HG SER 135 -13.045 -9.054 9.082 991 H GLY 136 H GLY 136 -15.775 -5.132 9.861 992 HA2 GLY 136 1HA GLY 136 -17.596 -5.611 11.936 993 HA3 GLY 136 2HA GLY 136 -16.787 -4.087 12.272 994 HA PRO 137 HA PRO 137 -19.231 -3.560 8.110 995 HB2 PRO 137 1HB PRO 137 -21.120 -5.448 7.620 996 HB3 PRO 137 2HB PRO 137 -19.457 -5.577 7.033 997 HG2 PRO 137 1HG PRO 137 -20.727 -6.859 9.422 998 HG3 PRO 137 2HG PRO 137 -19.620 -7.564 8.230 999 HD2 PRO 137 1HD PRO 137 -18.795 -6.731 10.670 1000 HD3 PRO 137 2HD PRO 137 -17.757 -6.648 9.232 1001 H SER 138 H SER 138 -20.270 -4.274 11.213 1002 HA SER 138 HA SER 138 -22.007 -3.598 12.521 1003 HB2 SER 138 1HB SER 138 -22.771 -1.373 12.212 1004 HB3 SER 138 2HB SER 138 -21.123 -1.390 11.583 1005 HG SER 138 HG SER 138 -22.046 -0.579 9.872 1006 H SER 139 H SER 139 -22.689 -5.685 10.918 1007 HA SER 139 HA SER 139 -24.379 -6.683 9.693 1008 HB2 SER 139 1HB SER 139 -25.035 -6.655 12.150 1009 HB3 SER 139 2HB SER 139 -26.090 -5.297 11.762 1010 HG SER 139 HG SER 139 -27.198 -6.642 10.314 1011 H GLY 140 H GLY 140 -23.760 -4.649 8.152 1012 HA2 GLY 140 1HA GLY 140 -25.034 -3.862 6.260 1013 HA3 GLY 140 2HA GLY 140 -26.380 -3.563 7.350 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.289 -20.805 -18.842 2 HA2 GLY 1 1HA GLY 1 0.304 -20.755 -21.458 3 HA3 GLY 1 2HA GLY 1 0.017 -19.513 -20.248 4 H SER 2 H SER 2 1.288 -20.098 -23.243 5 HA SER 2 HA SER 2 3.485 -18.238 -23.155 6 HB2 SER 2 1HB SER 2 3.458 -18.555 -25.660 7 HB3 SER 2 2HB SER 2 3.659 -20.039 -24.729 8 HG SER 2 HG SER 2 1.528 -19.191 -26.295 9 H SER 3 H SER 3 0.089 -18.091 -23.725 10 HA SER 3 HA SER 3 0.350 -15.238 -24.398 11 HB2 SER 3 1HB SER 3 -1.467 -15.376 -25.961 12 HB3 SER 3 2HB SER 3 -0.317 -16.644 -26.384 13 HG SER 3 HG SER 3 -1.762 -17.971 -24.916 14 H GLY 4 H GLY 4 -0.567 -13.996 -22.912 15 HA2 GLY 4 1HA GLY 4 -2.008 -14.945 -20.717 16 HA3 GLY 4 2HA GLY 4 -1.956 -13.267 -21.237 17 H SER 5 H SER 5 -4.214 -14.447 -20.076 18 HA SER 5 HA SER 5 -6.149 -15.547 -21.631 19 HB2 SER 5 1HB SER 5 -7.757 -14.653 -20.153 20 HB3 SER 5 2HB SER 5 -6.286 -14.755 -19.186 21 HG SER 5 HG SER 5 -5.960 -12.488 -19.829 22 H SER 6 H SER 6 -7.511 -14.948 -23.240 23 HA SER 6 HA SER 6 -6.785 -12.710 -24.847 24 HB2 SER 6 1HB SER 6 -8.901 -14.830 -25.001 25 HB3 SER 6 2HB SER 6 -8.986 -13.433 -26.073 26 HG SER 6 HG SER 6 -7.491 -15.603 -26.335 27 H GLY 7 H GLY 7 -7.171 -10.733 -24.011 28 HA2 GLY 7 1HA GLY 7 -9.960 -9.968 -23.649 29 HA3 GLY 7 2HA GLY 7 -8.916 -9.769 -22.249 30 H ASP 8 H ASP 8 -10.364 -7.786 -23.914 31 HA ASP 8 HA ASP 8 -8.325 -6.332 -25.339 32 HB2 ASP 8 1HB ASP 8 -11.129 -5.502 -24.559 33 HB3 ASP 8 2HB ASP 8 -10.078 -4.643 -25.682 34 H ASP 9 H ASP 9 -8.290 -3.839 -24.800 35 HA ASP 9 HA ASP 9 -7.023 -3.612 -22.261 36 HB2 ASP 9 1HB ASP 9 -6.703 -1.257 -22.855 37 HB3 ASP 9 2HB ASP 9 -6.290 -2.305 -24.209 38 H ASP 10 H ASP 10 -8.647 -4.176 -20.758 39 HA ASP 10 HA ASP 10 -10.742 -2.135 -20.396 40 HB2 ASP 10 1HB ASP 10 -11.735 -4.074 -18.907 41 HB3 ASP 10 2HB ASP 10 -11.976 -4.065 -20.652 42 H LEU 11 H LEU 11 -8.555 -4.310 -18.628 43 HA LEU 11 HA LEU 11 -8.624 -2.411 -16.377 44 HB2 LEU 11 1HB LEU 11 -7.825 -5.311 -16.264 45 HB3 LEU 11 2HB LEU 11 -8.093 -4.219 -14.906 46 HG LEU 11 HG LEU 11 -10.280 -5.058 -16.799 47 HD11 LEU 11 1HD1 LEU 11 -8.967 -6.808 -15.193 48 HD12 LEU 11 2HD1 LEU 11 -10.663 -6.948 -15.655 49 HD13 LEU 11 3HD1 LEU 11 -10.228 -6.222 -14.108 50 HD21 LEU 11 1HD2 LEU 11 -11.322 -3.399 -15.728 51 HD22 LEU 11 2HD2 LEU 11 -10.066 -3.286 -14.495 52 HD23 LEU 11 3HD2 LEU 11 -11.352 -4.484 -14.337 53 H GLU 12 H GLU 12 -6.990 -1.113 -17.357 54 HA GLU 12 HA GLU 12 -4.373 -2.312 -17.774 55 HB2 GLU 12 1HB GLU 12 -5.538 -0.408 -19.170 56 HB3 GLU 12 2HB GLU 12 -4.867 0.633 -17.922 57 HG2 GLU 12 1HG GLU 12 -3.405 0.507 -19.860 58 HG3 GLU 12 2HG GLU 12 -2.632 -0.166 -18.425 59 H VAL 13 H VAL 13 -2.446 -1.200 -16.832 60 HA VAL 13 HA VAL 13 -2.914 0.041 -14.230 61 HB VAL 13 HB VAL 13 -1.251 -2.457 -14.578 62 HG11 VAL 13 1HG1 VAL 13 -0.905 -2.244 -12.113 63 HG12 VAL 13 2HG1 VAL 13 -0.109 -0.992 -13.070 64 HG13 VAL 13 3HG1 VAL 13 -1.605 -0.628 -12.209 65 HG21 VAL 13 1HG2 VAL 13 -2.827 -3.403 -12.918 66 HG22 VAL 13 2HG2 VAL 13 -3.785 -1.926 -13.029 67 HG23 VAL 13 3HG2 VAL 13 -3.604 -2.968 -14.440 68 H LYS 14 H LYS 14 -1.768 1.850 -14.301 69 HA LYS 14 HA LYS 14 0.592 2.065 -15.964 70 HB2 LYS 14 1HB LYS 14 -0.809 4.068 -14.187 71 HB3 LYS 14 2HB LYS 14 0.586 4.441 -15.192 72 HG2 LYS 14 1HG LYS 14 -0.952 3.449 -17.090 73 HG3 LYS 14 2HG LYS 14 -2.231 3.917 -15.968 74 HD2 LYS 14 1HD LYS 14 -1.426 6.198 -15.944 75 HD3 LYS 14 2HD LYS 14 -0.051 5.754 -16.958 76 HE2 LYS 14 1HE LYS 14 -1.662 6.771 -18.376 77 HE3 LYS 14 2HE LYS 14 -1.703 5.041 -18.710 78 HZ1 LYS 14 1HZ LYS 14 -3.578 5.114 -16.905 79 HZ2 LYS 14 2HZ LYS 14 -3.915 5.480 -18.521 80 HZ3 LYS 14 3HZ LYS 14 -3.706 6.727 -17.397 81 H GLU 15 H GLU 15 2.364 3.582 -14.791 82 HA GLU 15 HA GLU 15 2.930 2.753 -12.084 83 HB2 GLU 15 1HB GLU 15 4.792 1.426 -12.451 84 HB3 GLU 15 2HB GLU 15 3.726 0.916 -13.753 85 HG2 GLU 15 1HG GLU 15 4.924 2.542 -15.239 86 HG3 GLU 15 2HG GLU 15 6.086 2.766 -13.932 87 H GLU 16 H GLU 16 4.796 3.838 -11.180 88 HA GLU 16 HA GLU 16 5.923 6.014 -12.763 89 HB2 GLU 16 1HB GLU 16 4.202 6.368 -10.328 90 HB3 GLU 16 2HB GLU 16 5.449 7.544 -10.720 91 HG2 GLU 16 1HG GLU 16 3.178 6.745 -12.525 92 HG3 GLU 16 2HG GLU 16 3.249 8.211 -11.549 93 H ASN 17 H ASN 17 8.030 5.623 -12.563 94 HA ASN 17 HA ASN 17 10.083 5.258 -11.656 95 HB2 ASN 17 1HB ASN 17 8.778 6.231 -9.104 96 HB3 ASN 17 2HB ASN 17 10.510 6.138 -9.411 97 HD21 ASN 17 1HD2 ASN 17 9.329 8.482 -8.636 98 HD22 ASN 17 2HD2 ASN 17 9.367 9.610 -9.944 99 H GLY 18 H GLY 18 8.000 3.145 -11.602 100 HA2 GLY 18 1HA GLY 18 8.466 0.862 -11.089 101 HA3 GLY 18 2HA GLY 18 9.362 1.395 -9.675 102 H VAL 19 H VAL 19 6.807 3.292 -9.476 103 HA VAL 19 HA VAL 19 5.435 1.494 -7.637 104 HB VAL 19 HB VAL 19 4.879 4.423 -8.107 105 HG11 VAL 19 1HG1 VAL 19 3.693 2.385 -6.457 106 HG12 VAL 19 2HG1 VAL 19 4.351 3.687 -5.463 107 HG13 VAL 19 3HG1 VAL 19 3.176 4.048 -6.729 108 HG21 VAL 19 1HG2 VAL 19 6.523 5.038 -6.667 109 HG22 VAL 19 2HG2 VAL 19 6.432 3.537 -5.745 110 HG23 VAL 19 3HG2 VAL 19 7.274 3.570 -7.295 111 H TRP 20 H TRP 20 3.905 0.253 -8.506 112 HA TRP 20 HA TRP 20 2.494 0.918 -10.886 113 HB2 TRP 20 1HB TRP 20 1.890 -1.210 -8.821 114 HB3 TRP 20 2HB TRP 20 1.194 -1.120 -10.437 115 HD1 TRP 20 HD TRP 20 4.137 -2.468 -8.575 116 HE1 TRP 20 1HE TRP 20 5.781 -3.579 -10.215 117 HE3 TRP 20 3HE TRP 20 2.147 -0.794 -12.976 118 HZ2 TRP 20 2HZ TRP 20 6.181 -3.725 -13.006 119 HZ3 TRP 20 3HZ TRP 20 3.220 -1.464 -15.086 120 HH2 TRP 20 HH TRP 20 5.196 -2.899 -15.099 121 H VAL 21 H VAL 21 0.455 1.702 -11.185 122 HA VAL 21 HA VAL 21 -0.815 2.902 -8.830 123 HB VAL 21 HB VAL 21 -1.195 3.476 -11.771 124 HG11 VAL 21 1HG1 VAL 21 -2.606 5.349 -11.032 125 HG12 VAL 21 2HG1 VAL 21 -3.291 3.785 -10.587 126 HG13 VAL 21 3HG1 VAL 21 -2.481 4.773 -9.370 127 HG21 VAL 21 1HG2 VAL 21 0.297 4.826 -9.555 128 HG22 VAL 21 2HG2 VAL 21 0.834 4.442 -11.190 129 HG23 VAL 21 3HG2 VAL 21 -0.309 5.758 -10.924 130 H LEU 22 H LEU 22 -2.141 1.404 -7.946 131 HA LEU 22 HA LEU 22 -3.898 -0.160 -9.676 132 HB2 LEU 22 1HB LEU 22 -3.320 -0.278 -6.723 133 HB3 LEU 22 2HB LEU 22 -4.526 -1.285 -7.522 134 HG LEU 22 HG LEU 22 -1.573 -1.314 -8.140 135 HD11 LEU 22 1HD1 LEU 22 -3.236 -3.253 -6.539 136 HD12 LEU 22 2HD1 LEU 22 -2.024 -2.148 -5.891 137 HD13 LEU 22 3HD1 LEU 22 -1.539 -3.453 -6.973 138 HD21 LEU 22 1HD2 LEU 22 -3.766 -3.204 -8.982 139 HD22 LEU 22 2HD2 LEU 22 -2.064 -3.280 -9.441 140 HD23 LEU 22 3HD2 LEU 22 -3.072 -1.947 -10.007 141 H ASN 23 H ASN 23 -6.197 -0.405 -8.999 142 HA ASN 23 HA ASN 23 -7.378 1.745 -7.485 143 HB2 ASN 23 1HB ASN 23 -8.896 2.176 -9.643 144 HB3 ASN 23 2HB ASN 23 -7.426 3.095 -9.331 145 HD21 ASN 23 1HD2 ASN 23 -8.769 0.384 -11.108 146 HD22 ASN 23 2HD2 ASN 23 -7.593 0.390 -12.373 147 H ASP 24 H ASP 24 -9.812 1.558 -7.496 148 HA ASP 24 HA ASP 24 -10.607 -0.987 -6.733 149 HB2 ASP 24 1HB ASP 24 -12.010 0.664 -5.930 150 HB3 ASP 24 2HB ASP 24 -12.068 1.512 -7.472 151 H GLY 25 H GLY 25 -10.107 0.212 -9.860 152 HA2 GLY 25 1HA GLY 25 -11.966 -1.657 -11.119 153 HA3 GLY 25 2HA GLY 25 -10.983 -0.454 -11.942 154 H ASN 26 H ASN 26 -8.571 -1.352 -10.423 155 HA ASN 26 HA ASN 26 -8.113 -3.909 -11.813 156 HB2 ASN 26 1HB ASN 26 -5.910 -3.203 -12.449 157 HB3 ASN 26 2HB ASN 26 -7.034 -1.944 -12.952 158 HD21 ASN 26 1HD2 ASN 26 -5.739 -0.206 -12.900 159 HD22 ASN 26 2HD2 ASN 26 -4.939 0.378 -11.484 160 H PHE 27 H PHE 27 -8.641 -2.870 -8.923 161 HA PHE 27 HA PHE 27 -6.347 -3.452 -7.392 162 HB2 PHE 27 1HB PHE 27 -8.370 -2.202 -6.587 163 HB3 PHE 27 2HB PHE 27 -9.227 -3.738 -6.518 164 HD1 PHE 27 1HD PHE 27 -6.574 -1.702 -5.023 165 HD2 PHE 27 2HD PHE 27 -8.773 -5.339 -4.788 166 HE1 PHE 27 1HE PHE 27 -5.709 -2.074 -2.749 167 HE2 PHE 27 2HE PHE 27 -7.912 -5.717 -2.514 168 HZ PHE 27 HZ PHE 27 -6.379 -4.083 -1.491 169 H ASP 28 H ASP 28 -9.316 -5.415 -7.634 170 HA ASP 28 HA ASP 28 -8.180 -7.742 -6.561 171 HB2 ASP 28 1HB ASP 28 -10.434 -7.824 -8.547 172 HB3 ASP 28 2HB ASP 28 -10.182 -8.824 -7.119 173 H ASN 29 H ASN 29 -8.702 -6.784 -9.944 174 HA ASN 29 HA ASN 29 -7.852 -9.039 -11.250 175 HB2 ASN 29 1HB ASN 29 -8.734 -6.933 -12.306 176 HB3 ASN 29 2HB ASN 29 -7.134 -6.228 -12.098 177 HD21 ASN 29 1HD2 ASN 29 -5.477 -6.851 -13.421 178 HD22 ASN 29 2HD2 ASN 29 -5.703 -7.847 -14.815 179 H PHE 30 H PHE 30 -5.813 -6.363 -10.095 180 HA PHE 30 HA PHE 30 -3.365 -7.488 -10.938 181 HB2 PHE 30 1HB PHE 30 -3.764 -5.075 -10.323 182 HB3 PHE 30 2HB PHE 30 -3.758 -5.574 -8.634 183 HD1 PHE 30 2HD PHE 30 -1.687 -6.514 -7.639 184 HD2 PHE 30 1HD PHE 30 -1.757 -4.801 -11.535 185 HE1 PHE 30 2HE PHE 30 0.763 -6.302 -7.586 186 HE2 PHE 30 1HE PHE 30 0.694 -4.588 -11.489 187 HZ PHE 30 HZ PHE 30 1.957 -5.337 -9.512 188 H VAL 31 H VAL 31 -4.683 -7.213 -7.632 189 HA VAL 31 HA VAL 31 -2.790 -8.968 -6.483 190 HB VAL 31 HB VAL 31 -4.153 -8.936 -4.498 191 HG11 VAL 31 1HG1 VAL 31 -3.647 -6.453 -6.000 192 HG12 VAL 31 2HG1 VAL 31 -4.737 -6.307 -4.620 193 HG13 VAL 31 3HG1 VAL 31 -3.106 -6.941 -4.394 194 HG21 VAL 31 1HG2 VAL 31 -6.363 -9.079 -4.712 195 HG22 VAL 31 2HG2 VAL 31 -6.369 -7.360 -5.107 196 HG23 VAL 31 3HG2 VAL 31 -6.295 -8.561 -6.397 197 H ALA 32 H ALA 32 -5.244 -9.635 -8.597 198 HA ALA 32 HA ALA 32 -6.568 -11.861 -7.685 199 HB1 ALA 32 1HB ALA 32 -6.852 -10.680 -9.901 200 HB2 ALA 32 2HB ALA 32 -5.501 -11.651 -10.489 201 HB3 ALA 32 3HB ALA 32 -6.980 -12.439 -9.938 202 H ASP 33 H ASP 33 -3.511 -11.905 -9.529 203 HA ASP 33 HA ASP 33 -2.993 -14.588 -8.437 204 HB2 ASP 33 1HB ASP 33 -2.055 -13.225 -10.959 205 HB3 ASP 33 2HB ASP 33 -1.294 -14.691 -10.345 206 H LYS 34 H LYS 34 -2.496 -12.712 -6.627 207 HA LYS 34 HA LYS 34 0.436 -12.610 -6.558 208 HB2 LYS 34 1HB LYS 34 -1.428 -10.332 -5.871 209 HB3 LYS 34 2HB LYS 34 0.289 -10.355 -5.489 210 HG2 LYS 34 1HG LYS 34 -0.553 -10.786 -8.310 211 HG3 LYS 34 2HG LYS 34 -0.610 -9.155 -7.638 212 HD2 LYS 34 1HD LYS 34 1.700 -9.118 -7.239 213 HD3 LYS 34 2HD LYS 34 1.842 -10.871 -7.389 214 HE2 LYS 34 1HE LYS 34 0.886 -9.290 -9.728 215 HE3 LYS 34 2HE LYS 34 2.604 -9.275 -9.334 216 HZ1 LYS 34 1HZ LYS 34 1.320 -11.884 -9.405 217 HZ2 LYS 34 2HZ LYS 34 2.854 -11.417 -9.942 218 HZ3 LYS 34 3HZ LYS 34 1.493 -11.101 -10.895 219 H ASP 35 H ASP 35 1.226 -13.467 -4.754 220 HA ASP 35 HA ASP 35 -0.499 -14.399 -2.685 221 HB2 ASP 35 1HB ASP 35 2.520 -14.296 -2.845 222 HB3 ASP 35 2HB ASP 35 1.611 -15.136 -1.592 223 H THR 36 H THR 36 1.770 -11.720 -2.997 224 HA THR 36 HA THR 36 0.529 -10.437 -0.695 225 HB THR 36 HB THR 36 3.524 -10.825 -0.863 226 HG1 THR 36 1HG THR 36 2.839 -11.834 1.330 227 HG21 THR 36 1HG2 THR 36 3.769 -9.423 0.937 228 HG22 THR 36 2HG2 THR 36 2.130 -9.711 1.523 229 HG23 THR 36 3HG2 THR 36 2.399 -8.652 0.138 230 H VAL 37 H VAL 37 -0.054 -8.499 -1.398 231 HA VAL 37 HA VAL 37 1.741 -7.074 -3.254 232 HB VAL 37 HB VAL 37 -1.251 -6.720 -3.092 233 HG11 VAL 37 1HG1 VAL 37 0.171 -5.986 -5.536 234 HG12 VAL 37 2HG1 VAL 37 -1.036 -5.090 -4.612 235 HG13 VAL 37 3HG1 VAL 37 0.658 -5.052 -4.122 236 HG21 VAL 37 1HG2 VAL 37 -1.590 -8.388 -4.543 237 HG22 VAL 37 2HG2 VAL 37 -0.183 -7.950 -5.512 238 HG23 VAL 37 3HG2 VAL 37 0.014 -8.950 -4.073 239 H LEU 38 H LEU 38 2.467 -5.141 -2.626 240 HA LEU 38 HA LEU 38 1.600 -4.095 -0.059 241 HB2 LEU 38 1HB LEU 38 3.948 -4.186 -0.367 242 HB3 LEU 38 2HB LEU 38 3.841 -3.389 -1.935 243 HG LEU 38 HG LEU 38 3.120 -1.314 -0.752 244 HD11 LEU 38 1HD1 LEU 38 3.066 -3.130 1.480 245 HD12 LEU 38 2HD1 LEU 38 2.454 -1.480 1.357 246 HD13 LEU 38 3HD1 LEU 38 4.135 -1.766 1.807 247 HD21 LEU 38 1HD2 LEU 38 5.750 -2.168 0.378 248 HD22 LEU 38 2HD2 LEU 38 5.284 -0.628 -0.346 249 HD23 LEU 38 3HD2 LEU 38 5.544 -2.042 -1.370 250 H LEU 39 H LEU 39 0.227 -2.461 0.191 251 HA LEU 39 HA LEU 39 -0.358 -0.760 -2.143 252 HB2 LEU 39 1HB LEU 39 -2.256 -1.380 0.106 253 HB3 LEU 39 2HB LEU 39 -2.619 -0.576 -1.419 254 HG LEU 39 HG LEU 39 -1.664 -3.412 -1.409 255 HD11 LEU 39 1HD1 LEU 39 -4.245 -3.865 -1.531 256 HD12 LEU 39 2HD1 LEU 39 -4.331 -2.392 -0.566 257 HD13 LEU 39 3HD1 LEU 39 -3.413 -3.778 0.022 258 HD21 LEU 39 1HD2 LEU 39 -2.567 -1.517 -3.338 259 HD22 LEU 39 2HD2 LEU 39 -3.708 -2.861 -3.281 260 HD23 LEU 39 3HD2 LEU 39 -1.998 -3.168 -3.588 261 H GLU 40 H GLU 40 -0.475 1.433 -1.862 262 HA GLU 40 HA GLU 40 -0.046 2.487 0.845 263 HB2 GLU 40 1HB GLU 40 2.142 2.371 -0.272 264 HB3 GLU 40 2HB GLU 40 1.511 3.321 -1.609 265 HG2 GLU 40 1HG GLU 40 1.318 4.463 1.121 266 HG3 GLU 40 2HG GLU 40 2.902 4.409 0.350 267 H PHE 41 H PHE 41 -1.655 3.828 1.281 268 HA PHE 41 HA PHE 41 -3.134 5.104 -0.866 269 HB2 PHE 41 1HB PHE 41 -3.583 5.170 2.125 270 HB3 PHE 41 2HB PHE 41 -4.687 5.800 0.907 271 HD1 PHE 41 2HD PHE 41 -3.011 2.665 1.992 272 HD2 PHE 41 1HD PHE 41 -6.344 4.442 0.031 273 HE1 PHE 41 2HE PHE 41 -4.092 0.461 1.841 274 HE2 PHE 41 1HE PHE 41 -7.432 2.240 -0.122 275 HZ PHE 41 HZ PHE 41 -6.305 0.246 0.782 276 H TYR 42 H TYR 42 -3.222 7.266 -1.279 277 HA TYR 42 HA TYR 42 -1.833 9.134 0.468 278 HB2 TYR 42 1HB TYR 42 -0.237 9.862 -1.064 279 HB3 TYR 42 2HB TYR 42 -0.230 8.119 -1.312 280 HD1 TYR 42 2HD TYR 42 -1.395 11.336 -2.705 281 HD2 TYR 42 1HD TYR 42 -0.870 7.171 -3.398 282 HE1 TYR 42 2HE TYR 42 -1.858 11.681 -5.096 283 HE2 TYR 42 1HE TYR 42 -1.330 7.505 -5.791 284 HH TYR 42 HH TYR 42 -2.829 9.851 -7.065 285 H ALA 43 H ALA 43 -1.967 11.423 -0.591 286 HA ALA 43 HA ALA 43 -4.460 11.750 -2.092 287 HB1 ALA 43 1HB ALA 43 -4.300 12.172 0.671 288 HB2 ALA 43 2HB ALA 43 -4.307 13.777 -0.062 289 HB3 ALA 43 3HB ALA 43 -5.609 12.641 -0.414 290 HA PRO 44 HA PRO 44 -2.088 14.742 -4.285 291 HB2 PRO 44 1HB PRO 44 -4.117 16.164 -5.396 292 HB3 PRO 44 2HB PRO 44 -3.661 14.548 -5.948 293 HG2 PRO 44 1HG PRO 44 -5.885 15.368 -4.120 294 HG3 PRO 44 2HG PRO 44 -5.902 14.187 -5.443 295 HD2 PRO 44 1HD PRO 44 -5.703 13.459 -2.842 296 HD3 PRO 44 2HD PRO 44 -4.935 12.540 -4.153 297 H TRP 45 H TRP 45 -4.150 15.501 -1.691 298 HA TRP 45 HA TRP 45 -3.451 18.345 -1.748 299 HB2 TRP 45 1HB TRP 45 -5.028 18.399 0.277 300 HB3 TRP 45 2HB TRP 45 -5.746 18.080 -1.299 301 HD1 TRP 45 HD TRP 45 -6.981 15.800 -1.627 302 HE1 TRP 45 1HE TRP 45 -7.539 13.833 -0.064 303 HE3 TRP 45 3HE TRP 45 -4.023 17.057 2.349 304 HZ2 TRP 45 2HZ TRP 45 -6.821 12.933 2.513 305 HZ3 TRP 45 3HZ TRP 45 -4.016 15.590 4.324 306 HH2 TRP 45 HH TRP 45 -5.387 13.571 4.402 307 H CYS 46 H CYS 46 -2.651 15.389 -0.180 308 HA CYS 46 HA CYS 46 -1.566 16.506 2.210 309 HB2 CYS 46 1HB CYS 46 -2.309 14.089 1.825 310 HB3 CYS 46 2HB CYS 46 -0.777 13.864 0.990 311 HG CYS 46 HG CYS 46 -0.034 12.848 3.305 312 H GLY 47 H GLY 47 0.017 17.979 2.026 313 HA2 GLY 47 1HA GLY 47 1.925 18.092 -0.036 314 HA3 GLY 47 2HA GLY 47 2.050 18.913 1.513 315 H HIS 48 H HIS 48 2.005 16.522 3.116 316 HA HIS 48 HA HIS 48 4.658 15.998 3.467 317 HB2 HIS 48 1HB HIS 48 2.288 14.192 3.958 318 HB3 HIS 48 2HB HIS 48 3.917 13.808 4.505 319 HD1 HIS 48 1HD HIS 48 3.206 13.926 6.983 320 HD2 HIS 48 2HD HIS 48 2.646 17.470 4.890 321 HE1 HIS 48 1HE HIS 48 2.763 15.677 8.733 322 HE2 HIS 48 2HE HIS 48 2.343 17.796 7.438 323 H CYS 49 H CYS 49 2.410 14.089 1.477 324 HA CYS 49 HA CYS 49 3.942 12.036 0.628 325 HB2 CYS 49 1HB CYS 49 1.719 12.216 -0.202 326 HB3 CYS 49 2HB CYS 49 2.056 13.761 -0.973 327 HG CYS 49 HG CYS 49 2.615 12.780 -3.270 328 H LYS 50 H LYS 50 4.355 15.392 -0.214 329 HA LYS 50 HA LYS 50 5.900 15.309 -2.473 330 HB2 LYS 50 1HB LYS 50 6.784 17.421 -1.850 331 HB3 LYS 50 2HB LYS 50 5.162 17.352 -1.175 332 HG2 LYS 50 1HG LYS 50 6.157 16.705 1.006 333 HG3 LYS 50 2HG LYS 50 7.755 16.954 0.300 334 HD2 LYS 50 1HD LYS 50 7.301 19.279 -0.066 335 HD3 LYS 50 2HD LYS 50 5.611 19.072 0.402 336 HE2 LYS 50 1HE LYS 50 6.215 18.637 2.667 337 HE3 LYS 50 2HE LYS 50 7.925 18.531 2.253 338 HZ1 LYS 50 1HZ LYS 50 6.795 21.028 1.466 339 HZ2 LYS 50 2HZ LYS 50 8.145 20.719 2.436 340 HZ3 LYS 50 3HZ LYS 50 6.601 20.760 3.125 341 H GLN 51 H GLN 51 7.115 15.093 0.873 342 HA GLN 51 HA GLN 51 9.766 14.419 -0.008 343 HB2 GLN 51 1HB GLN 51 8.415 14.901 2.577 344 HB3 GLN 51 2HB GLN 51 9.786 13.801 2.627 345 HG2 GLN 51 1HG GLN 51 10.984 15.684 1.282 346 HG3 GLN 51 2HG GLN 51 9.708 16.700 1.949 347 HE21 GLN 51 1HE2 GLN 51 11.738 17.695 2.857 348 HE22 GLN 51 2HE2 GLN 51 12.263 17.119 4.398 349 H PHE 52 H PHE 52 6.887 12.696 0.657 350 HA PHE 52 HA PHE 52 8.301 10.170 1.057 351 HB2 PHE 52 1HB PHE 52 6.312 10.795 2.472 352 HB3 PHE 52 2HB PHE 52 5.317 10.644 1.028 353 HD1 PHE 52 1HD PHE 52 8.113 8.546 2.312 354 HD2 PHE 52 2HD PHE 52 3.987 8.784 1.296 355 HE1 PHE 52 1HE PHE 52 7.873 6.134 2.735 356 HE2 PHE 52 2HE PHE 52 3.740 6.373 1.718 357 HZ PHE 52 HZ PHE 52 5.685 5.044 2.440 358 H ALA 53 H ALA 53 7.508 11.975 -1.507 359 HA ALA 53 HA ALA 53 6.231 10.079 -3.217 360 HB1 ALA 53 1HB ALA 53 7.045 12.816 -3.363 361 HB2 ALA 53 2HB ALA 53 7.610 11.956 -4.795 362 HB3 ALA 53 3HB ALA 53 5.897 11.940 -4.376 363 HA PRO 54 HA PRO 54 10.631 9.520 -5.118 364 HB2 PRO 54 1HB PRO 54 12.720 10.658 -3.811 365 HB3 PRO 54 2HB PRO 54 11.797 11.499 -5.063 366 HG2 PRO 54 1HG PRO 54 11.571 11.700 -2.085 367 HG3 PRO 54 2HG PRO 54 11.542 12.992 -3.299 368 HD2 PRO 54 1HD PRO 54 9.289 12.015 -2.157 369 HD3 PRO 54 2HD PRO 54 9.329 12.619 -3.826 370 H GLU 55 H GLU 55 10.006 9.418 -1.729 371 HA GLU 55 HA GLU 55 12.072 7.514 -1.100 372 HB2 GLU 55 1HB GLU 55 10.788 9.248 0.442 373 HB3 GLU 55 2HB GLU 55 9.689 7.892 0.655 374 HG2 GLU 55 1HG GLU 55 11.295 6.588 1.699 375 HG3 GLU 55 2HG GLU 55 12.630 7.542 1.055 376 H TYR 56 H TYR 56 8.613 7.424 -1.776 377 HA TYR 56 HA TYR 56 8.250 4.677 -1.168 378 HB2 TYR 56 1HB TYR 56 6.440 6.447 -1.355 379 HB3 TYR 56 2HB TYR 56 6.594 6.300 -3.102 380 HD1 TYR 56 1HD TYR 56 6.662 3.650 -0.482 381 HD2 TYR 56 2HD TYR 56 4.604 5.322 -3.810 382 HE1 TYR 56 1HE TYR 56 5.093 1.756 -0.455 383 HE2 TYR 56 2HE TYR 56 3.028 3.433 -3.791 384 HH TYR 56 HH TYR 56 2.585 1.414 -2.928 385 H GLU 57 H GLU 57 8.881 6.429 -4.183 386 HA GLU 57 HA GLU 57 8.678 4.278 -5.951 387 HB2 GLU 57 1HB GLU 57 10.074 5.621 -7.472 388 HB3 GLU 57 2HB GLU 57 8.799 6.578 -6.730 389 HG2 GLU 57 1HG GLU 57 10.373 7.546 -5.179 390 HG3 GLU 57 2HG GLU 57 11.662 6.520 -5.806 391 H LYS 58 H LYS 58 11.500 5.523 -4.194 392 HA LYS 58 HA LYS 58 13.443 3.841 -5.242 393 HB2 LYS 58 1HB LYS 58 13.127 5.201 -2.585 394 HB3 LYS 58 2HB LYS 58 14.490 4.126 -2.873 395 HG2 LYS 58 1HG LYS 58 15.101 5.511 -4.837 396 HG3 LYS 58 2HG LYS 58 13.807 6.629 -4.400 397 HD2 LYS 58 1HD LYS 58 15.795 5.904 -2.311 398 HD3 LYS 58 2HD LYS 58 16.306 6.999 -3.598 399 HE2 LYS 58 1HE LYS 58 13.716 7.527 -2.231 400 HE3 LYS 58 2HE LYS 58 15.208 7.893 -1.366 401 HZ1 LYS 58 1HZ LYS 58 14.063 9.647 -2.924 402 HZ2 LYS 58 2HZ LYS 58 14.951 8.847 -4.120 403 HZ3 LYS 58 3HZ LYS 58 15.747 9.551 -2.804 404 H ILE 59 H ILE 59 10.968 3.203 -2.868 405 HA ILE 59 HA ILE 59 12.093 0.738 -1.939 406 HB ILE 59 HB ILE 59 9.327 1.910 -1.668 407 HG12 ILE 59 1HG1 ILE 59 11.285 1.425 0.552 408 HG13 ILE 59 2HG1 ILE 59 11.455 2.848 -0.470 409 HG21 ILE 59 1HG2 ILE 59 8.602 -0.123 -1.135 410 HG22 ILE 59 2HG2 ILE 59 10.231 -0.792 -1.223 411 HG23 ILE 59 3HG2 ILE 59 9.659 -0.057 0.275 412 HD11 ILE 59 1HD1 ILE 59 9.402 3.727 0.233 413 HD12 ILE 59 2HD1 ILE 59 8.889 2.191 0.931 414 HD13 ILE 59 3HD1 ILE 59 10.175 3.122 1.697 415 H ALA 60 H ALA 60 9.706 1.666 -4.359 416 HA ALA 60 HA ALA 60 8.547 -0.750 -4.969 417 HB1 ALA 60 1HB ALA 60 7.565 0.604 -6.426 418 HB2 ALA 60 2HB ALA 60 8.861 1.790 -6.266 419 HB3 ALA 60 3HB ALA 60 9.000 0.486 -7.444 420 H SER 61 H SER 61 11.387 0.597 -6.665 421 HA SER 61 HA SER 61 12.004 -1.687 -8.132 422 HB2 SER 61 1HB SER 61 13.007 0.453 -8.672 423 HB3 SER 61 2HB SER 61 13.835 0.499 -7.116 424 HG SER 61 HG SER 61 15.054 -1.292 -7.773 425 H THR 62 H THR 62 13.193 -0.654 -4.954 426 HA THR 62 HA THR 62 15.066 -2.628 -4.479 427 HB THR 62 HB THR 62 13.226 -1.174 -2.590 428 HG1 THR 62 1HG THR 62 14.865 0.179 -2.486 429 HG21 THR 62 1HG2 THR 62 14.812 -3.551 -2.070 430 HG22 THR 62 2HG2 THR 62 13.637 -2.733 -1.039 431 HG23 THR 62 3HG2 THR 62 15.314 -2.187 -1.072 432 H LEU 63 H LEU 63 11.610 -2.703 -3.605 433 HA LEU 63 HA LEU 63 11.728 -5.439 -2.765 434 HB2 LEU 63 1HB LEU 63 9.461 -3.525 -3.251 435 HB3 LEU 63 2HB LEU 63 9.203 -5.197 -2.758 436 HG LEU 63 HG LEU 63 10.738 -3.148 -1.161 437 HD11 LEU 63 1HD1 LEU 63 8.624 -3.586 0.347 438 HD12 LEU 63 2HD1 LEU 63 7.871 -3.936 -1.208 439 HD13 LEU 63 3HD1 LEU 63 8.608 -2.360 -0.921 440 HD21 LEU 63 1HD2 LEU 63 11.567 -5.194 -0.476 441 HD22 LEU 63 2HD2 LEU 63 10.037 -6.027 -0.752 442 HD23 LEU 63 3HD2 LEU 63 10.219 -4.951 0.634 443 H LYS 64 H LYS 64 11.603 -3.950 -5.766 444 HA LYS 64 HA LYS 64 9.911 -5.733 -7.182 445 HB2 LYS 64 1HB LYS 64 10.842 -3.400 -7.869 446 HB3 LYS 64 2HB LYS 64 12.228 -4.310 -8.453 447 HG2 LYS 64 1HG LYS 64 10.862 -5.534 -9.988 448 HG3 LYS 64 2HG LYS 64 9.391 -4.836 -9.307 449 HD2 LYS 64 1HD LYS 64 11.475 -2.988 -10.354 450 HD3 LYS 64 2HD LYS 64 10.489 -3.880 -11.516 451 HE2 LYS 64 1HE LYS 64 9.113 -2.506 -9.268 452 HE3 LYS 64 2HE LYS 64 9.756 -1.514 -10.576 453 HZ1 LYS 64 1HZ LYS 64 7.485 -2.099 -11.034 454 HZ2 LYS 64 2HZ LYS 64 7.818 -3.747 -10.850 455 HZ3 LYS 64 3HZ LYS 64 8.489 -2.889 -12.145 456 H ASP 65 H ASP 65 13.469 -5.514 -7.025 457 HA ASP 65 HA ASP 65 13.679 -8.199 -8.144 458 HB2 ASP 65 1HB ASP 65 15.616 -5.963 -7.655 459 HB3 ASP 65 2HB ASP 65 16.213 -7.604 -7.885 460 H ASN 66 H ASN 66 12.606 -7.781 -5.455 461 HA ASN 66 HA ASN 66 14.707 -8.923 -3.762 462 HB2 ASN 66 1HB ASN 66 13.553 -7.044 -2.776 463 HB3 ASN 66 2HB ASN 66 11.987 -7.785 -3.091 464 HD21 ASN 66 1HD2 ASN 66 11.210 -9.325 -1.725 465 HD22 ASN 66 2HD2 ASN 66 11.979 -9.759 -0.240 466 H ASP 67 H ASP 67 14.083 -10.714 -2.301 467 HA ASP 67 HA ASP 67 12.195 -12.557 -3.616 468 HB2 ASP 67 1HB ASP 67 14.845 -13.160 -2.294 469 HB3 ASP 67 2HB ASP 67 13.678 -14.399 -2.746 470 HA PRO 68 HA PRO 68 10.757 -13.897 -3.429 471 HB2 PRO 68 1HB PRO 68 8.106 -13.509 -2.995 472 HB3 PRO 68 2HB PRO 68 8.984 -14.914 -2.381 473 HG2 PRO 68 1HG PRO 68 8.210 -12.396 -0.960 474 HG3 PRO 68 2HG PRO 68 8.124 -14.073 -0.391 475 HD2 PRO 68 1HD PRO 68 10.121 -12.391 0.329 476 HD3 PRO 68 2HD PRO 68 10.365 -14.140 0.142 477 HA PRO 69 HA PRO 69 10.137 -10.181 -5.697 478 HB2 PRO 69 1HB PRO 69 8.435 -10.980 -7.656 479 HB3 PRO 69 2HB PRO 69 10.135 -11.461 -7.605 480 HG2 PRO 69 1HG PRO 69 7.708 -12.984 -6.738 481 HG3 PRO 69 2HG PRO 69 9.122 -13.554 -7.644 482 HD2 PRO 69 1HD PRO 69 8.818 -13.997 -4.990 483 HD3 PRO 69 2HD PRO 69 10.409 -13.772 -5.745 484 H ILE 70 H ILE 70 9.068 -8.624 -4.593 485 HA ILE 70 HA ILE 70 6.147 -8.847 -4.340 486 HB ILE 70 HB ILE 70 7.978 -6.941 -2.884 487 HG12 ILE 70 1HG1 ILE 70 6.653 -9.295 -1.591 488 HG13 ILE 70 2HG1 ILE 70 8.163 -9.529 -2.465 489 HG21 ILE 70 1HG2 ILE 70 5.702 -7.260 -1.394 490 HG22 ILE 70 2HG2 ILE 70 6.036 -5.911 -2.479 491 HG23 ILE 70 3HG2 ILE 70 5.086 -7.284 -3.046 492 HD11 ILE 70 1HD1 ILE 70 9.216 -7.828 -1.029 493 HD12 ILE 70 2HD1 ILE 70 7.711 -7.706 -0.117 494 HD13 ILE 70 3HD1 ILE 70 8.615 -9.220 -0.129 495 H ALA 71 H ALA 71 4.807 -7.118 -4.926 496 HA ALA 71 HA ALA 71 6.058 -5.154 -6.735 497 HB1 ALA 71 1HB ALA 71 3.273 -5.497 -7.299 498 HB2 ALA 71 2HB ALA 71 4.666 -5.775 -8.346 499 HB3 ALA 71 3HB ALA 71 4.076 -7.067 -7.301 500 H VAL 72 H VAL 72 6.017 -3.175 -5.914 501 HA VAL 72 HA VAL 72 4.085 -2.459 -3.868 502 HB VAL 72 HB VAL 72 6.290 -0.767 -5.051 503 HG11 VAL 72 1HG1 VAL 72 4.159 -0.020 -3.467 504 HG12 VAL 72 2HG1 VAL 72 5.472 -0.248 -2.310 505 HG13 VAL 72 3HG1 VAL 72 5.671 0.866 -3.663 506 HG21 VAL 72 1HG2 VAL 72 7.141 -1.456 -2.567 507 HG22 VAL 72 2HG2 VAL 72 6.325 -2.936 -3.070 508 HG23 VAL 72 3HG2 VAL 72 7.631 -2.272 -4.052 509 H ALA 73 H ALA 73 2.383 -1.127 -4.118 510 HA ALA 73 HA ALA 73 2.123 0.413 -6.596 511 HB1 ALA 73 1HB ALA 73 -0.269 -1.084 -5.634 512 HB2 ALA 73 2HB ALA 73 0.118 -0.496 -7.252 513 HB3 ALA 73 3HB ALA 73 0.938 -1.920 -6.612 514 H LYS 74 H LYS 74 0.442 2.067 -6.484 515 HA LYS 74 HA LYS 74 -0.089 2.916 -3.711 516 HB2 LYS 74 1HB LYS 74 0.243 5.179 -4.325 517 HB3 LYS 74 2HB LYS 74 1.590 4.292 -5.025 518 HG2 LYS 74 1HG LYS 74 0.642 4.399 -7.199 519 HG3 LYS 74 2HG LYS 74 -0.888 5.013 -6.568 520 HD2 LYS 74 1HD LYS 74 0.051 6.973 -7.280 521 HD3 LYS 74 2HD LYS 74 0.678 6.927 -5.630 522 HE2 LYS 74 1HE LYS 74 2.767 5.981 -6.428 523 HE3 LYS 74 2HE LYS 74 2.140 5.932 -8.075 524 HZ1 LYS 74 1HZ LYS 74 3.371 7.862 -8.057 525 HZ2 LYS 74 2HZ LYS 74 2.946 8.265 -6.471 526 HZ3 LYS 74 3HZ LYS 74 1.822 8.453 -7.721 527 H ILE 75 H ILE 75 -2.022 4.217 -3.398 528 HA ILE 75 HA ILE 75 -4.053 3.985 -5.489 529 HB ILE 75 HB ILE 75 -4.499 3.014 -2.664 530 HG12 ILE 75 1HG1 ILE 75 -4.691 1.359 -5.169 531 HG13 ILE 75 2HG1 ILE 75 -3.157 1.558 -4.329 532 HG21 ILE 75 1HG2 ILE 75 -6.578 3.761 -3.189 533 HG22 ILE 75 2HG2 ILE 75 -6.308 3.628 -4.926 534 HG23 ILE 75 3HG2 ILE 75 -6.662 2.185 -3.975 535 HD11 ILE 75 1HD1 ILE 75 -5.661 0.488 -3.052 536 HD12 ILE 75 2HD1 ILE 75 -4.376 -0.510 -3.734 537 HD13 ILE 75 3HD1 ILE 75 -4.042 0.537 -2.355 538 H ASP 76 H ASP 76 -5.428 5.676 -5.567 539 HA ASP 76 HA ASP 76 -4.956 7.860 -3.698 540 HB2 ASP 76 1HB ASP 76 -6.591 9.031 -5.366 541 HB3 ASP 76 2HB ASP 76 -4.936 8.693 -5.865 542 H ALA 77 H ALA 77 -6.016 7.052 -1.853 543 HA ALA 77 HA ALA 77 -8.474 5.942 -1.563 544 HB1 ALA 77 1HB ALA 77 -7.230 8.068 0.174 545 HB2 ALA 77 2HB ALA 77 -8.612 7.076 0.640 546 HB3 ALA 77 3HB ALA 77 -7.048 6.321 0.334 547 H THR 78 H THR 78 -7.780 9.360 -2.117 548 HA THR 78 HA THR 78 -10.318 10.420 -1.706 549 HB THR 78 HB THR 78 -9.651 12.302 -3.049 550 HG1 THR 78 1HG THR 78 -7.366 10.871 -3.928 551 HG21 THR 78 1HG2 THR 78 -8.539 12.060 -0.872 552 HG22 THR 78 2HG2 THR 78 -7.492 12.855 -2.048 553 HG23 THR 78 3HG2 THR 78 -7.235 11.158 -1.642 554 H SER 79 H SER 79 -8.930 8.912 -4.585 555 HA SER 79 HA SER 79 -11.351 9.351 -6.118 556 HB2 SER 79 1HB SER 79 -8.643 8.217 -6.693 557 HB3 SER 79 2HB SER 79 -9.982 7.800 -7.761 558 HG SER 79 HG SER 79 -10.270 10.295 -7.585 559 H ALA 80 H ALA 80 -9.822 6.807 -4.296 560 HA ALA 80 HA ALA 80 -11.884 4.900 -5.162 561 HB1 ALA 80 1HB ALA 80 -9.992 3.658 -3.453 562 HB2 ALA 80 2HB ALA 80 -10.249 3.403 -5.180 563 HB3 ALA 80 3HB ALA 80 -9.108 4.629 -4.630 564 H SER 81 H SER 81 -13.650 5.089 -3.926 565 HA SER 81 HA SER 81 -13.458 5.778 -1.122 566 HB2 SER 81 1HB SER 81 -15.751 5.301 -3.014 567 HB3 SER 81 2HB SER 81 -16.016 5.452 -1.277 568 HG SER 81 HG SER 81 -15.315 7.371 -3.141 569 H MET 82 H MET 82 -14.888 3.067 -2.951 570 HA MET 82 HA MET 82 -15.567 1.408 -0.885 571 HB2 MET 82 1HB MET 82 -15.952 1.008 -3.339 572 HB3 MET 82 2HB MET 82 -14.288 0.451 -3.449 573 HG2 MET 82 1HG MET 82 -14.956 -1.195 -1.581 574 HG3 MET 82 2HG MET 82 -16.609 -0.810 -2.055 575 HE1 MET 82 1HE MET 82 -13.579 -3.479 -3.605 576 HE2 MET 82 2HE MET 82 -13.266 -2.090 -4.646 577 HE3 MET 82 3HE MET 82 -13.252 -1.900 -2.892 578 H LEU 83 H LEU 83 -12.486 1.131 -2.670 579 HA LEU 83 HA LEU 83 -11.219 -0.688 -1.057 580 HB2 LEU 83 1HB LEU 83 -10.051 1.674 -2.515 581 HB3 LEU 83 2HB LEU 83 -9.085 0.387 -1.796 582 HG LEU 83 HG LEU 83 -11.074 0.052 -4.041 583 HD11 LEU 83 1HD1 LEU 83 -8.892 -0.560 -5.256 584 HD12 LEU 83 2HD1 LEU 83 -8.093 0.327 -3.959 585 HD13 LEU 83 3HD1 LEU 83 -9.260 1.145 -4.998 586 HD21 LEU 83 1HD2 LEU 83 -9.533 -1.846 -2.367 587 HD22 LEU 83 2HD2 LEU 83 -9.630 -2.183 -4.095 588 HD23 LEU 83 3HD2 LEU 83 -11.106 -2.033 -3.141 589 H ALA 84 H ALA 84 -11.160 2.853 -0.705 590 HA ALA 84 HA ALA 84 -9.504 3.089 1.481 591 HB1 ALA 84 1HB ALA 84 -11.996 4.730 1.063 592 HB2 ALA 84 2HB ALA 84 -10.521 5.208 1.905 593 HB3 ALA 84 3HB ALA 84 -10.499 4.961 0.159 594 H SER 85 H SER 85 -13.049 2.703 1.543 595 HA SER 85 HA SER 85 -13.310 2.590 4.331 596 HB2 SER 85 1HB SER 85 -15.010 1.618 2.051 597 HB3 SER 85 2HB SER 85 -15.464 1.264 3.718 598 HG SER 85 HG SER 85 -14.795 3.896 3.063 599 H LYS 86 H LYS 86 -12.343 0.197 2.010 600 HA LYS 86 HA LYS 86 -12.847 -2.153 3.419 601 HB2 LYS 86 1HB LYS 86 -11.961 -1.814 1.015 602 HB3 LYS 86 2HB LYS 86 -10.369 -1.766 1.760 603 HG2 LYS 86 1HG LYS 86 -10.851 -4.001 2.758 604 HG3 LYS 86 2HG LYS 86 -12.334 -4.044 1.802 605 HD2 LYS 86 1HD LYS 86 -11.177 -4.170 -0.213 606 HD3 LYS 86 2HD LYS 86 -9.688 -3.537 0.491 607 HE2 LYS 86 1HE LYS 86 -10.899 -6.265 0.894 608 HE3 LYS 86 2HE LYS 86 -9.381 -5.873 0.089 609 HZ1 LYS 86 1HZ LYS 86 -10.007 -5.727 2.977 610 HZ2 LYS 86 2HZ LYS 86 -8.667 -4.939 2.312 611 HZ3 LYS 86 3HZ LYS 86 -8.793 -6.623 2.212 612 H PHE 87 H PHE 87 -9.814 -0.277 3.319 613 HA PHE 87 HA PHE 87 -8.911 -1.680 5.723 614 HB2 PHE 87 1HB PHE 87 -7.330 0.289 4.071 615 HB3 PHE 87 2HB PHE 87 -6.715 -0.902 5.213 616 HD1 PHE 87 2HD PHE 87 -8.494 -0.577 1.971 617 HD2 PHE 87 1HD PHE 87 -6.064 -3.008 4.482 618 HE1 PHE 87 2HE PHE 87 -8.207 -2.185 0.131 619 HE2 PHE 87 1HE PHE 87 -5.773 -4.620 2.645 620 HZ PHE 87 HZ PHE 87 -6.846 -4.210 0.467 621 H ASP 88 H ASP 88 -11.024 0.350 5.786 622 HA ASP 88 HA ASP 88 -11.587 2.338 6.803 623 HB2 ASP 88 1HB ASP 88 -11.379 0.683 8.646 624 HB3 ASP 88 2HB ASP 88 -9.712 1.199 8.886 625 H VAL 89 H VAL 89 -9.616 2.860 4.958 626 HA VAL 89 HA VAL 89 -7.362 4.207 6.017 627 HB VAL 89 HB VAL 89 -8.690 4.633 3.337 628 HG11 VAL 89 1HG1 VAL 89 -7.117 6.408 3.984 629 HG12 VAL 89 2HG1 VAL 89 -5.862 5.191 4.226 630 HG13 VAL 89 3HG1 VAL 89 -6.528 5.465 2.616 631 HG21 VAL 89 1HG2 VAL 89 -7.596 2.823 2.497 632 HG22 VAL 89 2HG2 VAL 89 -6.263 2.955 3.645 633 HG23 VAL 89 3HG2 VAL 89 -7.803 2.262 4.156 634 H SER 90 H SER 90 -7.834 5.738 7.529 635 HA SER 90 HA SER 90 -9.497 8.002 6.635 636 HB2 SER 90 1HB SER 90 -10.372 6.589 8.588 637 HB3 SER 90 2HB SER 90 -9.044 7.270 9.526 638 HG SER 90 HG SER 90 -9.952 9.228 9.429 639 H GLY 91 H GLY 91 -6.704 7.717 6.110 640 HA2 GLY 91 1HA GLY 91 -5.782 10.253 6.908 641 HA3 GLY 91 2HA GLY 91 -5.053 9.040 7.949 642 H TYR 92 H TYR 92 -3.398 10.551 6.464 643 HA TYR 92 HA TYR 92 -2.070 8.592 4.856 644 HB2 TYR 92 1HB TYR 92 -2.669 11.072 3.310 645 HB3 TYR 92 2HB TYR 92 -2.315 9.448 2.732 646 HD1 TYR 92 2HD TYR 92 -4.939 11.652 4.074 647 HD2 TYR 92 1HD TYR 92 -4.064 7.839 2.402 648 HE1 TYR 92 2HE TYR 92 -7.343 11.254 3.739 649 HE2 TYR 92 1HE TYR 92 -6.466 7.431 2.061 650 HH TYR 92 HH TYR 92 -8.555 8.149 2.636 651 HA PRO 93 HA PRO 93 -0.465 8.840 3.123 652 HB2 PRO 93 1HB PRO 93 2.039 7.860 3.493 653 HB3 PRO 93 2HB PRO 93 1.709 9.324 2.560 654 HG2 PRO 93 1HG PRO 93 2.641 9.052 5.391 655 HG3 PRO 93 2HG PRO 93 3.195 10.173 4.134 656 HD2 PRO 93 1HD PRO 93 1.468 10.911 6.085 657 HD3 PRO 93 2HD PRO 93 1.419 11.607 4.452 658 H THR 94 H THR 94 -1.009 6.718 3.235 659 HA THR 94 HA THR 94 -0.599 5.338 5.807 660 HB THR 94 HB THR 94 -3.065 5.373 4.071 661 HG1 THR 94 1HG THR 94 -2.962 6.977 5.678 662 HG21 THR 94 1HG2 THR 94 -3.494 3.263 4.643 663 HG22 THR 94 2HG2 THR 94 -3.503 3.757 6.336 664 HG23 THR 94 3HG2 THR 94 -2.011 3.182 5.592 665 H ILE 95 H ILE 95 0.252 3.346 5.707 666 HA ILE 95 HA ILE 95 0.560 2.130 3.040 667 HB ILE 95 HB ILE 95 2.357 1.810 5.447 668 HG12 ILE 95 1HG1 ILE 95 3.196 3.058 2.859 669 HG13 ILE 95 2HG1 ILE 95 2.295 4.025 4.022 670 HG21 ILE 95 1HG2 ILE 95 3.794 0.515 4.034 671 HG22 ILE 95 2HG2 ILE 95 2.177 -0.182 3.964 672 HG23 ILE 95 3HG2 ILE 95 2.766 0.814 2.633 673 HD11 ILE 95 1HD1 ILE 95 4.482 2.594 5.263 674 HD12 ILE 95 2HD1 ILE 95 5.022 3.650 3.958 675 HD13 ILE 95 3HD1 ILE 95 4.085 4.312 5.297 676 H LYS 96 H LYS 96 -0.007 0.035 2.732 677 HA LYS 96 HA LYS 96 -0.769 -1.588 5.045 678 HB2 LYS 96 1HB LYS 96 -2.572 -1.001 2.691 679 HB3 LYS 96 2HB LYS 96 -2.874 -2.266 3.874 680 HG2 LYS 96 1HG LYS 96 -2.451 0.499 4.867 681 HG3 LYS 96 2HG LYS 96 -3.980 0.118 4.071 682 HD2 LYS 96 1HD LYS 96 -4.155 -1.858 5.640 683 HD3 LYS 96 2HD LYS 96 -2.795 -1.163 6.526 684 HE2 LYS 96 1HE LYS 96 -4.025 0.728 7.153 685 HE3 LYS 96 2HE LYS 96 -5.257 0.443 5.925 686 HZ1 LYS 96 1HZ LYS 96 -6.041 -1.450 7.146 687 HZ2 LYS 96 2HZ LYS 96 -5.997 -0.118 8.187 688 HZ3 LYS 96 3HZ LYS 96 -4.795 -1.304 8.281 689 H ILE 97 H ILE 97 -1.358 -3.878 4.279 690 HA ILE 97 HA ILE 97 0.127 -4.657 1.880 691 HB ILE 97 HB ILE 97 0.591 -5.905 4.592 692 HG12 ILE 97 1HG1 ILE 97 2.720 -4.633 2.916 693 HG13 ILE 97 2HG1 ILE 97 1.670 -3.609 3.889 694 HG21 ILE 97 1HG2 ILE 97 1.231 -6.747 1.831 695 HG22 ILE 97 2HG2 ILE 97 2.494 -6.964 3.041 696 HG23 ILE 97 3HG2 ILE 97 0.916 -7.716 3.270 697 HD11 ILE 97 1HD1 ILE 97 2.441 -5.551 5.663 698 HD12 ILE 97 2HD1 ILE 97 3.888 -5.303 4.685 699 HD13 ILE 97 3HD1 ILE 97 3.142 -3.940 5.518 700 H LEU 98 H LEU 98 -0.827 -6.254 0.763 701 HA LEU 98 HA LEU 98 -3.214 -7.486 1.943 702 HB2 LEU 98 1HB LEU 98 -3.301 -6.180 -0.233 703 HB3 LEU 98 2HB LEU 98 -2.410 -7.518 -0.954 704 HG LEU 98 HG LEU 98 -4.329 -9.005 -0.186 705 HD11 LEU 98 1HD1 LEU 98 -5.298 -7.415 1.412 706 HD12 LEU 98 2HD1 LEU 98 -6.465 -7.922 0.191 707 HD13 LEU 98 3HD1 LEU 98 -5.705 -6.335 0.078 708 HD21 LEU 98 1HD2 LEU 98 -5.164 -6.928 -2.185 709 HD22 LEU 98 2HD2 LEU 98 -5.500 -8.660 -2.181 710 HD23 LEU 98 3HD2 LEU 98 -3.870 -8.078 -2.525 711 H LYS 99 H LYS 99 -2.882 -9.419 2.811 712 HA LYS 99 HA LYS 99 -0.917 -11.219 1.564 713 HB2 LYS 99 1HB LYS 99 -0.629 -10.575 3.989 714 HB3 LYS 99 2HB LYS 99 -2.114 -11.455 4.326 715 HG2 LYS 99 1HG LYS 99 -0.336 -12.911 4.847 716 HG3 LYS 99 2HG LYS 99 -1.013 -13.481 3.319 717 HD2 LYS 99 1HD LYS 99 0.800 -12.056 2.202 718 HD3 LYS 99 2HD LYS 99 1.551 -11.989 3.798 719 HE2 LYS 99 1HE LYS 99 0.740 -14.649 2.756 720 HE3 LYS 99 2HE LYS 99 2.148 -13.877 2.028 721 HZ1 LYS 99 1HZ LYS 99 2.992 -15.143 3.776 722 HZ2 LYS 99 2HZ LYS 99 1.757 -14.696 4.841 723 HZ3 LYS 99 3HZ LYS 99 2.945 -13.573 4.405 724 H LYS 100 H LYS 100 -1.922 -12.474 0.117 725 HA LYS 100 HA LYS 100 -3.510 -13.799 -0.868 726 HB2 LYS 100 1HB LYS 100 -3.689 -14.955 1.918 727 HB3 LYS 100 2HB LYS 100 -4.059 -15.778 0.408 728 HG2 LYS 100 1HG LYS 100 -1.641 -15.420 -0.231 729 HG3 LYS 100 2HG LYS 100 -1.371 -14.922 1.440 730 HD2 LYS 100 1HD LYS 100 -0.842 -17.181 1.489 731 HD3 LYS 100 2HD LYS 100 -2.520 -17.166 2.038 732 HE2 LYS 100 1HE LYS 100 -1.813 -17.539 -0.855 733 HE3 LYS 100 2HE LYS 100 -1.837 -18.897 0.269 734 HZ1 LYS 100 1HZ LYS 100 -4.060 -17.286 -0.748 735 HZ2 LYS 100 2HZ LYS 100 -4.187 -17.911 0.819 736 HZ3 LYS 100 3HZ LYS 100 -3.967 -18.956 -0.493 737 H GLY 101 H GLY 101 -4.495 -11.305 0.431 738 HA2 GLY 101 1HA GLY 101 -6.732 -10.505 0.116 739 HA3 GLY 101 2HA GLY 101 -7.325 -12.103 0.543 740 H GLN 102 H GLN 102 -4.796 -10.893 2.503 741 HA GLN 102 HA GLN 102 -6.753 -10.232 4.603 742 HB2 GLN 102 1HB GLN 102 -5.617 -12.209 5.263 743 HB3 GLN 102 2HB GLN 102 -4.056 -11.564 4.771 744 HG2 GLN 102 1HG GLN 102 -4.036 -11.455 7.097 745 HG3 GLN 102 2HG GLN 102 -4.390 -9.808 6.577 746 HE21 GLN 102 1HE2 GLN 102 -5.578 -12.626 8.175 747 HE22 GLN 102 2HE2 GLN 102 -7.045 -11.933 8.767 748 H ALA 103 H ALA 103 -6.812 -8.150 5.092 749 HA ALA 103 HA ALA 103 -4.777 -6.324 4.257 750 HB1 ALA 103 1HB ALA 103 -6.850 -5.337 4.200 751 HB2 ALA 103 2HB ALA 103 -7.369 -6.086 5.711 752 HB3 ALA 103 3HB ALA 103 -6.234 -4.736 5.739 753 H VAL 104 H VAL 104 -2.868 -6.288 5.261 754 HA VAL 104 HA VAL 104 -2.756 -6.677 8.163 755 HB VAL 104 HB VAL 104 -0.525 -6.607 6.125 756 HG11 VAL 104 1HG1 VAL 104 0.316 -5.832 8.230 757 HG12 VAL 104 2HG1 VAL 104 -0.490 -7.145 9.091 758 HG13 VAL 104 3HG1 VAL 104 0.853 -7.496 8.002 759 HG21 VAL 104 1HG2 VAL 104 -1.505 -8.632 5.709 760 HG22 VAL 104 2HG2 VAL 104 -0.426 -9.086 7.029 761 HG23 VAL 104 3HG2 VAL 104 -2.135 -8.790 7.349 762 H ASP 105 H ASP 105 -3.039 -4.841 9.262 763 HA ASP 105 HA ASP 105 -2.490 -2.257 8.279 764 HB2 ASP 105 1HB ASP 105 -4.090 -2.416 10.015 765 HB3 ASP 105 2HB ASP 105 -2.997 -3.335 11.047 766 H TYR 106 H TYR 106 -0.703 -1.036 8.285 767 HA TYR 106 HA TYR 106 1.718 -2.185 9.486 768 HB2 TYR 106 1HB TYR 106 1.936 -1.836 7.116 769 HB3 TYR 106 2HB TYR 106 1.350 -0.182 7.254 770 HD1 TYR 106 2HD TYR 106 4.206 -2.416 7.810 771 HD2 TYR 106 1HD TYR 106 2.799 1.593 8.022 772 HE1 TYR 106 2HE TYR 106 6.521 -1.624 8.062 773 HE2 TYR 106 1HE TYR 106 5.110 2.397 8.274 774 HH TYR 106 HH TYR 106 7.267 1.625 8.930 775 H ASP 107 H ASP 107 2.416 -1.325 11.314 776 HA ASP 107 HA ASP 107 1.860 1.522 11.837 777 HB2 ASP 107 1HB ASP 107 0.530 0.099 13.316 778 HB3 ASP 107 2HB ASP 107 1.985 -0.746 13.836 779 H GLY 108 H GLY 108 3.774 2.439 11.287 780 HA2 GLY 108 1HA GLY 108 5.948 2.286 13.062 781 HA3 GLY 108 2HA GLY 108 6.315 1.302 11.652 782 H SER 109 H SER 109 8.057 3.156 11.880 783 HA SER 109 HA SER 109 7.292 5.700 10.803 784 HB2 SER 109 1HB SER 109 9.847 4.403 11.630 785 HB3 SER 109 2HB SER 109 9.941 5.777 10.529 786 HG SER 109 HG SER 109 9.557 5.797 13.159 787 H ARG 110 H ARG 110 6.515 5.694 8.775 788 HA ARG 110 HA ARG 110 7.048 3.960 6.717 789 HB2 ARG 110 1HB ARG 110 6.336 5.785 5.187 790 HB3 ARG 110 2HB ARG 110 5.258 5.569 6.559 791 HG2 ARG 110 1HG ARG 110 6.643 7.450 7.653 792 HG3 ARG 110 2HG ARG 110 7.186 7.785 6.008 793 HD2 ARG 110 1HD ARG 110 5.003 8.272 5.276 794 HD3 ARG 110 2HD ARG 110 4.276 7.550 6.710 795 HE ARG 110 HE ARG 110 4.620 9.517 7.843 796 HH11 ARG 110 2HH1 ARG 110 6.426 9.556 4.867 797 HH12 ARG 110 1HH1 ARG 110 6.852 11.231 4.995 798 HH21 ARG 110 2HH2 ARG 110 5.174 11.722 8.023 799 HH22 ARG 110 1HH2 ARG 110 6.141 12.461 6.791 800 H THR 111 H THR 111 9.138 3.360 6.376 801 HA THR 111 HA THR 111 10.860 5.354 5.112 802 HB THR 111 HB THR 111 12.801 4.124 6.434 803 HG1 THR 111 1HG THR 111 11.952 3.889 8.677 804 HG21 THR 111 1HG2 THR 111 11.555 6.601 6.584 805 HG22 THR 111 2HG2 THR 111 13.098 6.158 7.314 806 HG23 THR 111 3HG2 THR 111 11.612 6.044 8.256 807 H GLN 112 H GLN 112 12.673 4.369 3.933 808 HA GLN 112 HA GLN 112 11.821 2.182 2.368 809 HB2 GLN 112 1HB GLN 112 13.322 3.928 1.515 810 HB3 GLN 112 2HB GLN 112 14.580 3.392 2.622 811 HG2 GLN 112 1HG GLN 112 15.044 1.511 1.408 812 HG3 GLN 112 2HG GLN 112 13.426 1.425 0.716 813 HE21 GLN 112 1HE2 GLN 112 15.978 3.893 0.806 814 HE22 GLN 112 2HE2 GLN 112 16.014 4.161 -0.900 815 H GLU 113 H GLU 113 13.750 2.413 5.249 816 HA GLU 113 HA GLU 113 14.789 -0.277 5.023 817 HB2 GLU 113 1HB GLU 113 16.027 0.171 6.948 818 HB3 GLU 113 2HB GLU 113 15.930 1.739 6.160 819 HG2 GLU 113 1HG GLU 113 14.176 2.433 7.658 820 HG3 GLU 113 2HG GLU 113 14.132 0.833 8.396 821 H GLU 114 H GLU 114 12.346 1.427 6.934 822 HA GLU 114 HA GLU 114 11.609 -0.879 8.456 823 HB2 GLU 114 1HB GLU 114 10.194 1.756 8.019 824 HB3 GLU 114 2HB GLU 114 9.666 0.523 9.154 825 HG2 GLU 114 1HG GLU 114 12.448 1.554 9.350 826 HG3 GLU 114 2HG GLU 114 11.120 2.554 9.935 827 H ILE 115 H ILE 115 9.658 1.016 6.148 828 HA ILE 115 HA ILE 115 7.582 -0.680 5.750 829 HB ILE 115 HB ILE 115 9.003 0.999 3.688 830 HG12 ILE 115 1HG1 ILE 115 6.300 1.550 4.855 831 HG13 ILE 115 2HG1 ILE 115 7.738 1.928 5.796 832 HG21 ILE 115 1HG2 ILE 115 7.866 -0.193 2.169 833 HG22 ILE 115 2HG2 ILE 115 6.806 -0.908 3.383 834 HG23 ILE 115 3HG2 ILE 115 6.461 0.701 2.750 835 HD11 ILE 115 1HD1 ILE 115 8.534 3.368 3.994 836 HD12 ILE 115 2HD1 ILE 115 7.083 2.996 3.062 837 HD13 ILE 115 3HD1 ILE 115 6.951 3.871 4.587 838 H VAL 116 H VAL 116 10.754 -0.889 4.190 839 HA VAL 116 HA VAL 116 10.081 -3.145 2.576 840 HB VAL 116 HB VAL 116 12.763 -2.006 3.365 841 HG11 VAL 116 1HG1 VAL 116 13.728 -3.394 1.623 842 HG12 VAL 116 2HG1 VAL 116 12.931 -4.401 2.833 843 HG13 VAL 116 3HG1 VAL 116 12.148 -4.098 1.281 844 HG21 VAL 116 1HG2 VAL 116 11.346 -0.548 1.979 845 HG22 VAL 116 2HG2 VAL 116 12.787 -1.089 1.119 846 HG23 VAL 116 3HG2 VAL 116 11.225 -1.832 0.775 847 H ALA 117 H ALA 117 11.358 -2.701 5.793 848 HA ALA 117 HA ALA 117 12.380 -5.308 6.183 849 HB1 ALA 117 1HB ALA 117 13.171 -3.844 7.760 850 HB2 ALA 117 2HB ALA 117 11.606 -3.057 7.974 851 HB3 ALA 117 3HB ALA 117 11.896 -4.649 8.676 852 H LYS 118 H LYS 118 9.176 -3.978 6.298 853 HA LYS 118 HA LYS 118 8.096 -6.354 7.604 854 HB2 LYS 118 1HB LYS 118 7.168 -4.279 8.370 855 HB3 LYS 118 2HB LYS 118 6.837 -3.754 6.724 856 HG2 LYS 118 1HG LYS 118 4.760 -4.400 7.538 857 HG3 LYS 118 2HG LYS 118 5.290 -5.790 6.588 858 HD2 LYS 118 1HD LYS 118 4.534 -6.800 8.523 859 HD3 LYS 118 2HD LYS 118 6.258 -6.624 8.860 860 HE2 LYS 118 1HE LYS 118 5.718 -4.479 10.031 861 HE3 LYS 118 2HE LYS 118 4.010 -4.867 9.833 862 HZ1 LYS 118 1HZ LYS 118 5.542 -7.008 10.984 863 HZ2 LYS 118 2HZ LYS 118 4.084 -6.325 11.500 864 HZ3 LYS 118 3HZ LYS 118 5.553 -5.606 11.930 865 H VAL 119 H VAL 119 7.398 -4.492 4.639 866 HA VAL 119 HA VAL 119 5.715 -6.263 3.386 867 HB VAL 119 HB VAL 119 7.751 -4.367 2.246 868 HG11 VAL 119 1HG1 VAL 119 6.089 -6.388 0.835 869 HG12 VAL 119 2HG1 VAL 119 6.278 -4.796 0.097 870 HG13 VAL 119 3HG1 VAL 119 7.699 -5.780 0.451 871 HG21 VAL 119 1HG2 VAL 119 5.041 -4.188 3.168 872 HG22 VAL 119 2HG2 VAL 119 6.127 -2.902 2.641 873 HG23 VAL 119 3HG2 VAL 119 5.127 -3.750 1.461 874 H ARG 120 H ARG 120 9.076 -6.619 4.000 875 HA ARG 120 HA ARG 120 9.467 -8.658 1.975 876 HB2 ARG 120 1HB ARG 120 11.216 -7.366 4.041 877 HB3 ARG 120 2HB ARG 120 11.724 -8.861 3.266 878 HG2 ARG 120 1HG ARG 120 11.457 -7.736 1.064 879 HG3 ARG 120 2HG ARG 120 11.134 -6.232 1.929 880 HD2 ARG 120 1HD ARG 120 13.395 -6.057 1.512 881 HD3 ARG 120 2HD ARG 120 13.381 -6.757 3.130 882 HE ARG 120 HE ARG 120 13.455 -8.761 1.105 883 HH11 ARG 120 2HH1 ARG 120 15.413 -6.469 2.847 884 HH12 ARG 120 1HH1 ARG 120 16.880 -7.369 2.643 885 HH21 ARG 120 2HH2 ARG 120 15.379 -9.955 0.830 886 HH22 ARG 120 1HH2 ARG 120 16.859 -9.352 1.495 887 H GLU 121 H GLU 121 9.015 -8.433 5.457 888 HA GLU 121 HA GLU 121 9.498 -11.213 5.944 889 HB2 GLU 121 1HB GLU 121 9.178 -10.736 8.165 890 HB3 GLU 121 2HB GLU 121 9.590 -9.134 7.568 891 HG2 GLU 121 1HG GLU 121 7.279 -8.495 7.516 892 HG3 GLU 121 2HG GLU 121 6.776 -10.133 7.931 893 H VAL 122 H VAL 122 6.596 -9.185 5.693 894 HA VAL 122 HA VAL 122 4.731 -11.244 6.197 895 HB VAL 122 HB VAL 122 4.279 -8.751 4.553 896 HG11 VAL 122 1HG1 VAL 122 2.603 -10.921 5.122 897 HG12 VAL 122 2HG1 VAL 122 2.072 -9.612 6.179 898 HG13 VAL 122 3HG1 VAL 122 2.147 -9.363 4.434 899 HG21 VAL 122 1HG2 VAL 122 3.448 -8.776 7.368 900 HG22 VAL 122 2HG2 VAL 122 5.193 -8.769 7.112 901 HG23 VAL 122 3HG2 VAL 122 4.194 -7.493 6.415 902 H SER 123 H SER 123 6.492 -10.305 3.360 903 HA SER 123 HA SER 123 4.815 -11.523 1.426 904 HB2 SER 123 1HB SER 123 6.723 -11.301 -0.089 905 HB3 SER 123 2HB SER 123 6.520 -9.825 0.854 906 HG SER 123 HG SER 123 8.205 -11.779 1.899 907 H GLN 124 H GLN 124 7.163 -12.745 3.640 908 HA GLN 124 HA GLN 124 7.850 -15.133 2.300 909 HB2 GLN 124 1HB GLN 124 7.764 -14.679 5.285 910 HB3 GLN 124 2HB GLN 124 8.708 -15.890 4.428 911 HG2 GLN 124 1HG GLN 124 9.080 -12.908 4.260 912 HG3 GLN 124 2HG GLN 124 10.099 -14.039 5.149 913 HE21 GLN 124 1HE2 GLN 124 10.753 -12.193 2.969 914 HE22 GLN 124 2HE2 GLN 124 11.446 -13.166 1.721 915 HA PRO 125 HA PRO 125 4.199 -17.550 2.735 916 HB2 PRO 125 1HB PRO 125 5.298 -20.026 2.558 917 HB3 PRO 125 2HB PRO 125 5.121 -18.952 1.166 918 HG2 PRO 125 1HG PRO 125 7.533 -19.476 2.859 919 HG3 PRO 125 2HG PRO 125 7.414 -19.332 1.096 920 HD2 PRO 125 1HD PRO 125 8.290 -17.308 2.667 921 HD3 PRO 125 2HD PRO 125 7.395 -17.028 1.160 922 H ASP 126 H ASP 126 6.961 -18.089 4.827 923 HA ASP 126 HA ASP 126 5.561 -19.785 6.669 924 HB2 ASP 126 1HB ASP 126 8.207 -18.338 6.812 925 HB3 ASP 126 2HB ASP 126 7.586 -19.327 8.131 926 H TRP 127 H TRP 127 6.248 -16.356 6.405 927 HA TRP 127 HA TRP 127 5.763 -15.397 8.904 928 HB2 TRP 127 1HB TRP 127 6.316 -13.894 7.108 929 HB3 TRP 127 2HB TRP 127 4.820 -14.277 6.261 930 HD1 TRP 127 HD TRP 127 6.230 -12.042 8.958 931 HE1 TRP 127 1HE TRP 127 4.402 -10.419 9.764 932 HE3 TRP 127 3HE TRP 127 2.197 -14.139 6.620 933 HZ2 TRP 127 2HZ TRP 127 1.618 -10.074 9.450 934 HZ3 TRP 127 3HZ TRP 127 -0.014 -13.102 6.924 935 HH2 TRP 127 HH TRP 127 -0.295 -11.112 8.311 936 H THR 128 H THR 128 4.011 -14.934 10.185 937 HA THR 128 HA THR 128 1.363 -15.770 9.230 938 HB THR 128 HB THR 128 0.976 -16.727 11.574 939 HG1 THR 128 1HG THR 128 3.771 -17.131 11.601 940 HG21 THR 128 1HG2 THR 128 2.968 -18.226 9.878 941 HG22 THR 128 2HG2 THR 128 1.266 -18.049 9.451 942 HG23 THR 128 3HG2 THR 128 1.721 -18.899 10.928 943 HA PRO 129 HA PRO 129 -0.032 -12.028 11.069 944 HB2 PRO 129 1HB PRO 129 -2.620 -12.680 11.566 945 HB3 PRO 129 2HB PRO 129 -2.003 -12.369 9.939 946 HG2 PRO 129 1HG PRO 129 -2.489 -14.984 11.312 947 HG3 PRO 129 2HG PRO 129 -2.861 -14.510 9.645 948 HD2 PRO 129 1HD PRO 129 -0.691 -15.996 10.287 949 HD3 PRO 129 2HD PRO 129 -0.696 -14.849 8.932 950 HA PRO 130 HA PRO 130 0.530 -12.815 15.423 951 HB2 PRO 130 1HB PRO 130 0.419 -10.216 16.201 952 HB3 PRO 130 2HB PRO 130 1.843 -10.930 15.435 953 HG2 PRO 130 1HG PRO 130 -0.320 -9.255 14.222 954 HG3 PRO 130 2HG PRO 130 1.433 -9.172 13.969 955 HD2 PRO 130 1HD PRO 130 -0.236 -10.383 12.214 956 HD3 PRO 130 2HD PRO 130 1.429 -10.936 12.485 957 HA PRO 131 HA PRO 131 -3.448 -12.682 17.292 958 HB2 PRO 131 1HB PRO 131 -2.893 -11.991 19.859 959 HB3 PRO 131 2HB PRO 131 -2.499 -13.577 19.184 960 HG2 PRO 131 1HG PRO 131 -0.730 -11.195 19.582 961 HG3 PRO 131 2HG PRO 131 -0.391 -12.907 19.901 962 HD2 PRO 131 1HD PRO 131 0.496 -11.635 17.680 963 HD3 PRO 131 2HD PRO 131 0.067 -13.358 17.687 964 H GLU 132 H GLU 132 -4.806 -11.253 18.913 965 HA GLU 132 HA GLU 132 -6.007 -9.326 19.112 966 HB2 GLU 132 1HB GLU 132 -3.676 -8.860 20.254 967 HB3 GLU 132 2HB GLU 132 -3.485 -7.735 18.917 968 HG2 GLU 132 1HG GLU 132 -5.677 -6.717 19.592 969 HG3 GLU 132 2HG GLU 132 -5.610 -7.719 21.040 970 H VAL 133 H VAL 133 -5.884 -10.246 16.509 971 HA VAL 133 HA VAL 133 -5.229 -8.042 14.752 972 HB VAL 133 HB VAL 133 -4.885 -10.386 14.034 973 HG11 VAL 133 1HG1 VAL 133 -7.895 -10.496 14.149 974 HG12 VAL 133 2HG1 VAL 133 -6.885 -11.692 13.333 975 HG13 VAL 133 3HG1 VAL 133 -6.754 -11.468 15.078 976 HG21 VAL 133 1HG2 VAL 133 -5.588 -8.313 12.526 977 HG22 VAL 133 2HG2 VAL 133 -5.314 -9.917 11.848 978 HG23 VAL 133 3HG2 VAL 133 -6.957 -9.367 12.173 979 H THR 134 H THR 134 -6.651 -6.727 13.679 980 HA THR 134 HA THR 134 -8.506 -5.377 13.599 981 HB THR 134 HB THR 134 -10.606 -6.679 12.968 982 HG1 THR 134 1HG THR 134 -10.489 -8.837 12.865 983 HG21 THR 134 1HG2 THR 134 -8.016 -6.636 11.529 984 HG22 THR 134 2HG2 THR 134 -9.576 -5.949 11.076 985 HG23 THR 134 3HG2 THR 134 -9.278 -7.675 10.868 986 H SER 135 H SER 135 -7.782 -6.059 16.276 987 HA SER 135 HA SER 135 -9.685 -7.015 17.968 988 HB2 SER 135 1HB SER 135 -8.813 -5.476 19.674 989 HB3 SER 135 2HB SER 135 -7.501 -6.166 18.719 990 HG SER 135 HG SER 135 -7.023 -4.245 18.008 991 H GLY 136 H GLY 136 -9.500 -3.634 16.842 992 HA2 GLY 136 1HA GLY 136 -11.664 -2.530 18.061 993 HA3 GLY 136 2HA GLY 136 -11.200 -2.132 16.414 994 HA PRO 137 HA PRO 137 -15.081 -3.676 15.061 995 HB2 PRO 137 1HB PRO 137 -14.468 -4.255 12.480 996 HB3 PRO 137 2HB PRO 137 -14.655 -2.601 13.075 997 HG2 PRO 137 1HG PRO 137 -12.151 -4.174 12.609 998 HG3 PRO 137 2HG PRO 137 -12.498 -2.481 12.214 999 HD2 PRO 137 1HD PRO 137 -11.064 -3.204 14.394 1000 HD3 PRO 137 2HD PRO 137 -12.106 -1.767 14.371 1001 H SER 138 H SER 138 -15.239 -5.583 16.301 1002 HA SER 138 HA SER 138 -13.923 -8.001 15.476 1003 HB2 SER 138 1HB SER 138 -16.073 -7.441 17.525 1004 HB3 SER 138 2HB SER 138 -15.409 -9.049 17.234 1005 HG SER 138 HG SER 138 -13.695 -6.883 17.764 1006 H SER 139 H SER 139 -14.934 -9.891 14.678 1007 HA SER 139 HA SER 139 -17.662 -9.739 13.718 1008 HB2 SER 139 1HB SER 139 -16.878 -10.370 11.360 1009 HB3 SER 139 2HB SER 139 -16.680 -8.684 11.840 1010 HG SER 139 HG SER 139 -14.572 -10.450 12.331 1011 H GLY 140 H GLY 140 -18.540 -11.755 13.174 1012 HA2 GLY 140 1HA GLY 140 -18.348 -14.102 12.732 1013 HA3 GLY 140 2HA GLY 140 -16.779 -14.085 13.523 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.356 -21.369 -6.086 2 HA2 GLY 1 1HA GLY 1 -10.760 -22.367 -7.485 3 HA3 GLY 1 2HA GLY 1 -10.774 -20.883 -6.544 4 H SER 2 H SER 2 -11.639 -20.258 -8.797 5 HA SER 2 HA SER 2 -9.666 -19.903 -10.856 6 HB2 SER 2 1HB SER 2 -11.452 -18.716 -12.059 7 HB3 SER 2 2HB SER 2 -12.034 -20.253 -11.421 8 HG SER 2 HG SER 2 -13.390 -19.215 -10.194 9 H SER 3 H SER 3 -8.039 -18.683 -9.842 10 HA SER 3 HA SER 3 -8.356 -16.320 -8.425 11 HB2 SER 3 1HB SER 3 -6.012 -15.802 -9.145 12 HB3 SER 3 2HB SER 3 -6.212 -17.430 -8.497 13 HG SER 3 HG SER 3 -6.267 -18.206 -10.631 14 H GLY 4 H GLY 4 -7.919 -16.774 -11.924 15 HA2 GLY 4 1HA GLY 4 -9.563 -14.600 -12.623 16 HA3 GLY 4 2HA GLY 4 -7.890 -14.064 -12.641 17 H SER 5 H SER 5 -10.343 -15.729 -14.320 18 HA SER 5 HA SER 5 -8.614 -16.003 -16.631 19 HB2 SER 5 1HB SER 5 -9.924 -18.375 -15.298 20 HB3 SER 5 2HB SER 5 -9.407 -18.397 -16.984 21 HG SER 5 HG SER 5 -7.793 -19.218 -15.593 22 H SER 6 H SER 6 -9.785 -16.354 -18.605 23 HA SER 6 HA SER 6 -11.494 -15.966 -20.056 24 HB2 SER 6 1HB SER 6 -12.943 -17.118 -17.697 25 HB3 SER 6 2HB SER 6 -13.865 -16.475 -19.056 26 HG SER 6 HG SER 6 -11.951 -18.565 -19.086 27 H GLY 7 H GLY 7 -10.454 -13.749 -18.757 28 HA2 GLY 7 1HA GLY 7 -12.793 -12.106 -18.069 29 HA3 GLY 7 2HA GLY 7 -11.119 -11.700 -17.719 30 H ASP 8 H ASP 8 -10.892 -9.777 -18.716 31 HA ASP 8 HA ASP 8 -10.783 -9.763 -21.591 32 HB2 ASP 8 1HB ASP 8 -12.625 -7.748 -20.312 33 HB3 ASP 8 2HB ASP 8 -12.408 -8.090 -22.026 34 H ASP 9 H ASP 9 -9.833 -7.787 -22.440 35 HA ASP 9 HA ASP 9 -7.843 -6.741 -20.635 36 HB2 ASP 9 1HB ASP 9 -8.290 -5.836 -23.474 37 HB3 ASP 9 2HB ASP 9 -6.793 -5.827 -22.546 38 H ASP 10 H ASP 10 -10.339 -5.982 -19.759 39 HA ASP 10 HA ASP 10 -10.817 -3.253 -20.639 40 HB2 ASP 10 1HB ASP 10 -12.235 -5.187 -18.851 41 HB3 ASP 10 2HB ASP 10 -12.562 -3.465 -18.673 42 H LEU 11 H LEU 11 -10.171 -4.858 -17.517 43 HA LEU 11 HA LEU 11 -9.498 -2.377 -16.244 44 HB2 LEU 11 1HB LEU 11 -8.991 -5.181 -15.268 45 HB3 LEU 11 2HB LEU 11 -9.017 -3.709 -14.298 46 HG LEU 11 HG LEU 11 -11.406 -4.909 -15.700 47 HD11 LEU 11 1HD1 LEU 11 -11.161 -4.794 -12.746 48 HD12 LEU 11 2HD1 LEU 11 -10.253 -6.042 -13.599 49 HD13 LEU 11 3HD1 LEU 11 -12.006 -5.953 -13.772 50 HD21 LEU 11 1HD2 LEU 11 -10.947 -2.305 -14.757 51 HD22 LEU 11 2HD2 LEU 11 -11.985 -3.086 -13.562 52 HD23 LEU 11 3HD2 LEU 11 -12.481 -3.020 -15.254 53 H GLU 12 H GLU 12 -7.702 -1.371 -16.919 54 HA GLU 12 HA GLU 12 -5.253 -2.967 -17.257 55 HB2 GLU 12 1HB GLU 12 -6.291 -1.348 -19.087 56 HB3 GLU 12 2HB GLU 12 -5.417 -0.132 -18.166 57 HG2 GLU 12 1HG GLU 12 -3.415 -1.774 -18.418 58 HG3 GLU 12 2HG GLU 12 -4.363 -2.422 -19.755 59 H VAL 13 H VAL 13 -3.226 -1.971 -16.542 60 HA VAL 13 HA VAL 13 -3.587 -0.154 -14.252 61 HB VAL 13 HB VAL 13 -1.757 -2.557 -14.340 62 HG11 VAL 13 1HG1 VAL 13 -0.538 -1.400 -12.872 63 HG12 VAL 13 2HG1 VAL 13 -1.780 -0.158 -12.694 64 HG13 VAL 13 3HG1 VAL 13 -1.871 -1.641 -11.743 65 HG21 VAL 13 1HG2 VAL 13 -4.278 -2.891 -13.993 66 HG22 VAL 13 2HG2 VAL 13 -3.181 -3.614 -12.816 67 HG23 VAL 13 3HG2 VAL 13 -4.027 -2.116 -12.428 68 H LYS 14 H LYS 14 -1.980 1.351 -13.904 69 HA LYS 14 HA LYS 14 0.021 1.578 -16.052 70 HB2 LYS 14 1HB LYS 14 -1.483 3.642 -14.468 71 HB3 LYS 14 2HB LYS 14 0.030 4.048 -15.267 72 HG2 LYS 14 1HG LYS 14 -1.021 3.168 -17.397 73 HG3 LYS 14 2HG LYS 14 -2.551 3.163 -16.517 74 HD2 LYS 14 1HD LYS 14 -2.612 5.468 -16.349 75 HD3 LYS 14 2HD LYS 14 -0.864 5.630 -16.537 76 HE2 LYS 14 1HE LYS 14 -2.505 4.552 -18.789 77 HE3 LYS 14 2HE LYS 14 -2.471 6.289 -18.490 78 HZ1 LYS 14 1HZ LYS 14 0.157 5.327 -18.410 79 HZ2 LYS 14 2HZ LYS 14 -0.534 6.394 -19.526 80 HZ3 LYS 14 3HZ LYS 14 -0.569 4.727 -19.816 81 H GLU 15 H GLU 15 1.889 3.141 -15.217 82 HA GLU 15 HA GLU 15 2.680 2.464 -12.492 83 HB2 GLU 15 1HB GLU 15 4.800 1.537 -13.124 84 HB3 GLU 15 2HB GLU 15 3.544 0.655 -13.981 85 HG2 GLU 15 1HG GLU 15 3.992 2.061 -15.974 86 HG3 GLU 15 2HG GLU 15 5.340 2.790 -15.104 87 H GLU 16 H GLU 16 4.109 3.909 -11.567 88 HA GLU 16 HA GLU 16 5.000 6.153 -13.244 89 HB2 GLU 16 1HB GLU 16 3.656 6.343 -10.545 90 HB3 GLU 16 2HB GLU 16 4.455 7.687 -11.348 91 HG2 GLU 16 1HG GLU 16 2.880 7.459 -13.230 92 HG3 GLU 16 2HG GLU 16 2.050 6.180 -12.347 93 H ASN 17 H ASN 17 7.137 6.255 -13.164 94 HA ASN 17 HA ASN 17 9.292 5.962 -12.467 95 HB2 ASN 17 1HB ASN 17 8.268 7.932 -11.057 96 HB3 ASN 17 2HB ASN 17 8.447 6.801 -9.718 97 HD21 ASN 17 1HD2 ASN 17 9.856 9.335 -11.018 98 HD22 ASN 17 2HD2 ASN 17 11.523 8.982 -10.731 99 H GLY 18 H GLY 18 7.842 3.583 -12.382 100 HA2 GLY 18 1HA GLY 18 8.321 1.429 -11.671 101 HA3 GLY 18 2HA GLY 18 9.431 2.102 -10.486 102 H VAL 19 H VAL 19 6.054 3.020 -10.799 103 HA VAL 19 HA VAL 19 5.401 1.489 -8.385 104 HB VAL 19 HB VAL 19 4.833 4.436 -8.735 105 HG11 VAL 19 1HG1 VAL 19 3.605 2.378 -7.064 106 HG12 VAL 19 2HG1 VAL 19 4.174 3.782 -6.159 107 HG13 VAL 19 3HG1 VAL 19 3.030 3.991 -7.485 108 HG21 VAL 19 1HG2 VAL 19 6.663 2.915 -6.892 109 HG22 VAL 19 2HG2 VAL 19 7.093 4.163 -8.062 110 HG23 VAL 19 3HG2 VAL 19 6.184 4.589 -6.612 111 H TRP 20 H TRP 20 3.838 0.178 -9.080 112 HA TRP 20 HA TRP 20 2.100 0.735 -11.233 113 HB2 TRP 20 1HB TRP 20 1.706 -1.279 -9.010 114 HB3 TRP 20 2HB TRP 20 0.931 -1.298 -10.591 115 HD1 TRP 20 HD TRP 20 3.961 -2.520 -8.797 116 HE1 TRP 20 1HE TRP 20 5.549 -3.697 -10.445 117 HE3 TRP 20 3HE TRP 20 1.783 -1.077 -13.191 118 HZ2 TRP 20 2HZ TRP 20 5.840 -3.976 -13.239 119 HZ3 TRP 20 3HZ TRP 20 2.779 -1.842 -15.308 120 HH2 TRP 20 HH TRP 20 4.766 -3.260 -15.329 121 H VAL 21 H VAL 21 0.122 1.641 -11.335 122 HA VAL 21 HA VAL 21 -0.945 2.796 -8.856 123 HB VAL 21 HB VAL 21 -1.536 3.507 -11.733 124 HG11 VAL 21 1HG1 VAL 21 -3.356 3.811 -9.900 125 HG12 VAL 21 2HG1 VAL 21 -2.345 5.159 -9.376 126 HG13 VAL 21 3HG1 VAL 21 -3.008 5.136 -11.011 127 HG21 VAL 21 1HG2 VAL 21 0.200 4.890 -11.645 128 HG22 VAL 21 2HG2 VAL 21 -0.406 5.620 -10.159 129 HG23 VAL 21 3HG2 VAL 21 0.633 4.197 -10.082 130 H LEU 22 H LEU 22 -2.278 1.322 -7.951 131 HA LEU 22 HA LEU 22 -4.201 -0.095 -9.638 132 HB2 LEU 22 1HB LEU 22 -3.530 -0.413 -6.717 133 HB3 LEU 22 2HB LEU 22 -4.679 -1.407 -7.610 134 HG LEU 22 HG LEU 22 -1.709 -1.262 -8.125 135 HD11 LEU 22 1HD1 LEU 22 -1.597 -3.464 -7.174 136 HD12 LEU 22 2HD1 LEU 22 -3.343 -3.493 -6.928 137 HD13 LEU 22 3HD1 LEU 22 -2.340 -2.375 -6.003 138 HD21 LEU 22 1HD2 LEU 22 -3.761 -3.134 -9.294 139 HD22 LEU 22 2HD2 LEU 22 -2.047 -3.032 -9.699 140 HD23 LEU 22 3HD2 LEU 22 -3.134 -1.709 -10.123 141 H ASN 23 H ASN 23 -6.432 -0.389 -8.600 142 HA ASN 23 HA ASN 23 -7.484 1.547 -6.853 143 HB2 ASN 23 1HB ASN 23 -8.924 2.598 -8.844 144 HB3 ASN 23 2HB ASN 23 -7.392 3.296 -8.326 145 HD21 ASN 23 1HD2 ASN 23 -8.765 0.966 -10.603 146 HD22 ASN 23 2HD2 ASN 23 -7.628 1.268 -11.868 147 H ASP 24 H ASP 24 -9.913 1.544 -6.877 148 HA ASP 24 HA ASP 24 -10.983 -0.930 -6.598 149 HB2 ASP 24 1HB ASP 24 -13.227 0.133 -7.041 150 HB3 ASP 24 2HB ASP 24 -12.227 0.973 -5.860 151 H GLY 25 H GLY 25 -10.271 0.664 -9.571 152 HA2 GLY 25 1HA GLY 25 -12.016 -0.929 -11.211 153 HA3 GLY 25 2HA GLY 25 -10.738 0.137 -11.775 154 H ASN 26 H ASN 26 -8.513 -0.916 -10.590 155 HA ASN 26 HA ASN 26 -8.431 -3.675 -11.621 156 HB2 ASN 26 1HB ASN 26 -5.899 -2.924 -12.043 157 HB3 ASN 26 2HB ASN 26 -7.162 -2.686 -13.247 158 HD21 ASN 26 1HD2 ASN 26 -5.056 -1.177 -10.965 159 HD22 ASN 26 2HD2 ASN 26 -5.368 0.455 -11.438 160 H PHE 27 H PHE 27 -8.891 -2.899 -8.913 161 HA PHE 27 HA PHE 27 -6.421 -3.183 -7.460 162 HB2 PHE 27 1HB PHE 27 -8.397 -1.867 -6.631 163 HB3 PHE 27 2HB PHE 27 -9.242 -3.393 -6.395 164 HD1 PHE 27 1HD PHE 27 -6.508 -1.255 -5.223 165 HD2 PHE 27 2HD PHE 27 -8.676 -4.861 -4.582 166 HE1 PHE 27 1HE PHE 27 -5.503 -1.458 -2.987 167 HE2 PHE 27 2HE PHE 27 -7.675 -5.070 -2.345 168 HZ PHE 27 HZ PHE 27 -6.087 -3.367 -1.544 169 H ASP 28 H ASP 28 -9.346 -5.184 -7.831 170 HA ASP 28 HA ASP 28 -8.185 -7.441 -6.523 171 HB2 ASP 28 1HB ASP 28 -10.659 -7.149 -8.234 172 HB3 ASP 28 2HB ASP 28 -10.204 -8.645 -7.423 173 H ASN 29 H ASN 29 -8.812 -6.598 -9.912 174 HA ASN 29 HA ASN 29 -8.025 -8.945 -11.136 175 HB2 ASN 29 1HB ASN 29 -9.029 -7.052 -12.343 176 HB3 ASN 29 2HB ASN 29 -7.552 -6.121 -12.117 177 HD21 ASN 29 1HD2 ASN 29 -9.003 -7.130 -14.530 178 HD22 ASN 29 2HD2 ASN 29 -7.798 -7.959 -15.449 179 H PHE 30 H PHE 30 -6.034 -6.290 -9.940 180 HA PHE 30 HA PHE 30 -3.581 -7.250 -10.991 181 HB2 PHE 30 1HB PHE 30 -4.044 -4.893 -10.213 182 HB3 PHE 30 2HB PHE 30 -3.934 -5.491 -8.561 183 HD1 PHE 30 1HD PHE 30 -2.054 -4.965 -11.686 184 HD2 PHE 30 2HD PHE 30 -1.841 -5.906 -7.541 185 HE1 PHE 30 1HE PHE 30 0.387 -4.657 -11.745 186 HE2 PHE 30 2HE PHE 30 0.600 -5.598 -7.593 187 HZ PHE 30 HZ PHE 30 1.717 -4.972 -9.696 188 H VAL 31 H VAL 31 -4.760 -7.214 -7.622 189 HA VAL 31 HA VAL 31 -2.765 -8.882 -6.586 190 HB VAL 31 HB VAL 31 -4.128 -9.134 -4.635 191 HG11 VAL 31 1HG1 VAL 31 -3.338 -7.010 -4.465 192 HG12 VAL 31 2HG1 VAL 31 -4.074 -6.496 -5.984 193 HG13 VAL 31 3HG1 VAL 31 -5.062 -6.643 -4.530 194 HG21 VAL 31 1HG2 VAL 31 -6.219 -9.812 -5.494 195 HG22 VAL 31 2HG2 VAL 31 -6.515 -8.278 -4.676 196 HG23 VAL 31 3HG2 VAL 31 -6.400 -8.331 -6.435 197 H ALA 32 H ALA 32 -5.541 -9.610 -8.474 198 HA ALA 32 HA ALA 32 -6.231 -12.165 -7.721 199 HB1 ALA 32 1HB ALA 32 -5.991 -11.423 -10.616 200 HB2 ALA 32 2HB ALA 32 -7.206 -12.427 -9.823 201 HB3 ALA 32 3HB ALA 32 -7.206 -10.681 -9.574 202 H ASP 33 H ASP 33 -3.585 -11.174 -9.869 203 HA ASP 33 HA ASP 33 -2.586 -13.937 -9.845 204 HB2 ASP 33 1HB ASP 33 -2.354 -11.667 -11.758 205 HB3 ASP 33 2HB ASP 33 -0.991 -12.778 -11.647 206 H LYS 34 H LYS 34 -2.281 -12.386 -7.522 207 HA LYS 34 HA LYS 34 0.590 -12.500 -7.241 208 HB2 LYS 34 1HB LYS 34 -0.878 -9.897 -6.781 209 HB3 LYS 34 2HB LYS 34 0.799 -10.206 -6.349 210 HG2 LYS 34 1HG LYS 34 1.355 -10.530 -8.700 211 HG3 LYS 34 2HG LYS 34 -0.330 -10.242 -9.142 212 HD2 LYS 34 1HD LYS 34 0.504 -8.144 -9.472 213 HD3 LYS 34 2HD LYS 34 0.077 -8.014 -7.765 214 HE2 LYS 34 1HE LYS 34 2.806 -8.683 -8.863 215 HE3 LYS 34 2HE LYS 34 2.313 -7.124 -8.204 216 HZ1 LYS 34 1HZ LYS 34 2.801 -9.660 -6.799 217 HZ2 LYS 34 2HZ LYS 34 1.728 -8.537 -6.131 218 HZ3 LYS 34 3HZ LYS 34 3.338 -8.102 -6.415 219 H ASP 35 H ASP 35 1.109 -13.223 -5.272 220 HA ASP 35 HA ASP 35 -0.964 -13.785 -3.378 221 HB2 ASP 35 1HB ASP 35 1.982 -14.050 -2.822 222 HB3 ASP 35 2HB ASP 35 0.652 -15.013 -2.186 223 H THR 36 H THR 36 2.000 -11.809 -3.230 224 HA THR 36 HA THR 36 0.741 -10.260 -1.061 225 HB THR 36 HB THR 36 3.698 -10.649 -1.563 226 HG1 THR 36 1HG THR 36 2.650 -11.546 0.806 227 HG21 THR 36 1HG2 THR 36 3.243 -8.491 -0.557 228 HG22 THR 36 2HG2 THR 36 3.943 -9.568 0.652 229 HG23 THR 36 3HG2 THR 36 2.209 -9.244 0.657 230 H VAL 37 H VAL 37 0.239 -8.231 -1.538 231 HA VAL 37 HA VAL 37 1.819 -6.818 -3.580 232 HB VAL 37 HB VAL 37 -1.188 -6.696 -3.307 233 HG11 VAL 37 1HG1 VAL 37 -0.377 -4.550 -3.956 234 HG12 VAL 37 2HG1 VAL 37 0.729 -5.260 -5.134 235 HG13 VAL 37 3HG1 VAL 37 -1.013 -5.334 -5.402 236 HG21 VAL 37 1HG2 VAL 37 -1.396 -8.104 -5.072 237 HG22 VAL 37 2HG2 VAL 37 0.114 -7.574 -5.815 238 HG23 VAL 37 3HG2 VAL 37 0.146 -8.706 -4.464 239 H LEU 38 H LEU 38 2.670 -5.013 -2.802 240 HA LEU 38 HA LEU 38 1.857 -3.965 -0.254 241 HB2 LEU 38 1HB LEU 38 4.181 -3.949 -0.741 242 HB3 LEU 38 2HB LEU 38 3.919 -3.120 -2.274 243 HG LEU 38 HG LEU 38 3.150 -1.127 -0.932 244 HD11 LEU 38 1HD1 LEU 38 4.230 -2.824 1.306 245 HD12 LEU 38 2HD1 LEU 38 2.624 -2.111 1.162 246 HD13 LEU 38 3HD1 LEU 38 4.028 -1.076 1.419 247 HD21 LEU 38 1HD2 LEU 38 5.980 -2.124 -0.638 248 HD22 LEU 38 2HD2 LEU 38 5.467 -0.467 -0.322 249 HD23 LEU 38 3HD2 LEU 38 5.326 -1.139 -1.947 250 H LEU 39 H LEU 39 0.199 -2.636 0.005 251 HA LEU 39 HA LEU 39 -0.536 -0.839 -2.206 252 HB2 LEU 39 1HB LEU 39 -2.234 -1.730 0.118 253 HB3 LEU 39 2HB LEU 39 -2.761 -0.777 -1.268 254 HG LEU 39 HG LEU 39 -1.696 -3.562 -1.612 255 HD11 LEU 39 1HD1 LEU 39 -3.406 -4.061 -0.148 256 HD12 LEU 39 2HD1 LEU 39 -4.231 -4.118 -1.705 257 HD13 LEU 39 3HD1 LEU 39 -4.397 -2.698 -0.672 258 HD21 LEU 39 1HD2 LEU 39 -3.548 -1.801 -3.213 259 HD22 LEU 39 2HD2 LEU 39 -3.141 -3.469 -3.614 260 HD23 LEU 39 3HD2 LEU 39 -1.886 -2.230 -3.616 261 H GLU 40 H GLU 40 -0.285 1.281 -1.950 262 HA GLU 40 HA GLU 40 -0.012 2.339 0.786 263 HB2 GLU 40 1HB GLU 40 2.154 2.195 -0.517 264 HB3 GLU 40 2HB GLU 40 1.480 3.388 -1.619 265 HG2 GLU 40 1HG GLU 40 1.321 5.006 0.160 266 HG3 GLU 40 2HG GLU 40 1.864 3.810 1.336 267 H PHE 41 H PHE 41 -1.575 3.722 1.253 268 HA PHE 41 HA PHE 41 -3.080 4.991 -0.893 269 HB2 PHE 41 1HB PHE 41 -3.560 5.011 2.095 270 HB3 PHE 41 2HB PHE 41 -4.663 5.628 0.868 271 HD1 PHE 41 2HD PHE 41 -3.227 2.619 2.384 272 HD2 PHE 41 1HD PHE 41 -5.993 4.144 -0.469 273 HE1 PHE 41 2HE PHE 41 -4.264 0.395 2.207 274 HE2 PHE 41 1HE PHE 41 -7.036 1.922 -0.650 275 HZ PHE 41 HZ PHE 41 -6.170 0.044 0.688 276 H TYR 42 H TYR 42 -2.968 7.090 -1.413 277 HA TYR 42 HA TYR 42 -1.655 8.954 0.427 278 HB2 TYR 42 1HB TYR 42 -0.074 9.702 -1.103 279 HB3 TYR 42 2HB TYR 42 -0.091 7.969 -1.411 280 HD1 TYR 42 2HD TYR 42 -1.389 11.218 -2.646 281 HD2 TYR 42 1HD TYR 42 -0.631 7.128 -3.543 282 HE1 TYR 42 2HE TYR 42 -1.889 11.650 -5.015 283 HE2 TYR 42 1HE TYR 42 -1.128 7.550 -5.915 284 HH TYR 42 HH TYR 42 -1.076 10.322 -7.339 285 H ALA 43 H ALA 43 -1.891 11.259 -0.385 286 HA ALA 43 HA ALA 43 -4.385 11.624 -1.896 287 HB1 ALA 43 1HB ALA 43 -5.365 12.992 -0.309 288 HB2 ALA 43 2HB ALA 43 -4.606 11.747 0.684 289 HB3 ALA 43 3HB ALA 43 -3.834 13.323 0.502 290 HA PRO 44 HA PRO 44 -2.029 14.638 -4.086 291 HB2 PRO 44 1HB PRO 44 -4.080 16.021 -5.205 292 HB3 PRO 44 2HB PRO 44 -3.590 14.416 -5.757 293 HG2 PRO 44 1HG PRO 44 -5.839 15.188 -3.940 294 HG3 PRO 44 2HG PRO 44 -5.826 14.009 -5.265 295 HD2 PRO 44 1HD PRO 44 -5.626 13.280 -2.664 296 HD3 PRO 44 2HD PRO 44 -4.832 12.380 -3.972 297 H TRP 45 H TRP 45 -4.608 15.602 -1.898 298 HA TRP 45 HA TRP 45 -3.632 18.340 -1.773 299 HB2 TRP 45 1HB TRP 45 -5.522 18.397 0.062 300 HB3 TRP 45 2HB TRP 45 -5.935 18.387 -1.650 301 HD1 TRP 45 HD TRP 45 -7.475 16.481 -2.467 302 HE1 TRP 45 1HE TRP 45 -8.473 14.366 -1.394 303 HE3 TRP 45 3HE TRP 45 -4.869 16.496 1.931 304 HZ2 TRP 45 2HZ TRP 45 -8.194 12.897 1.001 305 HZ3 TRP 45 3HZ TRP 45 -5.294 14.700 3.559 306 HH2 TRP 45 HH TRP 45 -6.923 12.940 3.102 307 H CYS 46 H CYS 46 -2.174 15.857 -0.739 308 HA CYS 46 HA CYS 46 -1.735 16.830 2.008 309 HB2 CYS 46 1HB CYS 46 -2.667 14.500 1.798 310 HB3 CYS 46 2HB CYS 46 -1.175 14.042 0.986 311 HG CYS 46 HG CYS 46 -1.619 13.521 3.962 312 H GLY 47 H GLY 47 0.140 17.826 2.298 313 HA2 GLY 47 1HA GLY 47 2.172 17.869 0.309 314 HA3 GLY 47 2HA GLY 47 2.281 18.575 1.915 315 H HIS 48 H HIS 48 1.806 16.135 3.355 316 HA HIS 48 HA HIS 48 4.341 15.232 3.829 317 HB2 HIS 48 1HB HIS 48 1.635 14.074 4.265 318 HB3 HIS 48 2HB HIS 48 3.016 13.000 4.468 319 HD1 HIS 48 1HD HIS 48 2.396 12.892 7.024 320 HD2 HIS 48 2HD HIS 48 3.572 16.633 5.652 321 HE1 HIS 48 1HE HIS 48 2.893 14.240 9.088 322 HE2 HIS 48 2HE HIS 48 3.521 16.525 8.235 323 H CYS 49 H CYS 49 2.169 14.251 1.281 324 HA CYS 49 HA CYS 49 3.620 11.917 0.513 325 HB2 CYS 49 1HB CYS 49 1.264 12.156 -0.058 326 HB3 CYS 49 2HB CYS 49 1.615 13.591 -1.012 327 HG CYS 49 HG CYS 49 1.063 11.060 -2.456 328 H LYS 50 H LYS 50 3.698 15.304 -0.400 329 HA LYS 50 HA LYS 50 5.223 15.144 -2.725 330 HB2 LYS 50 1HB LYS 50 5.098 17.276 -0.592 331 HB3 LYS 50 2HB LYS 50 5.986 17.474 -2.097 332 HG2 LYS 50 1HG LYS 50 3.933 17.208 -3.368 333 HG3 LYS 50 2HG LYS 50 3.029 16.947 -1.875 334 HD2 LYS 50 1HD LYS 50 3.151 19.152 -1.255 335 HD3 LYS 50 2HD LYS 50 4.656 19.428 -2.136 336 HE2 LYS 50 1HE LYS 50 2.126 18.827 -3.616 337 HE3 LYS 50 2HE LYS 50 2.439 20.457 -3.021 338 HZ1 LYS 50 1HZ LYS 50 3.177 20.036 -5.343 339 HZ2 LYS 50 2HZ LYS 50 4.327 18.951 -4.743 340 HZ3 LYS 50 3HZ LYS 50 4.406 20.587 -4.319 341 H GLN 51 H GLN 51 6.263 15.341 0.659 342 HA GLN 51 HA GLN 51 9.053 15.294 -0.010 343 HB2 GLN 51 1HB GLN 51 9.456 15.573 2.235 344 HB3 GLN 51 2HB GLN 51 7.826 16.225 2.126 345 HG2 GLN 51 1HG GLN 51 6.905 14.131 2.924 346 HG3 GLN 51 2HG GLN 51 8.519 13.422 2.975 347 HE21 GLN 51 1HE2 GLN 51 6.242 14.415 4.925 348 HE22 GLN 51 2HE2 GLN 51 7.160 15.114 6.211 349 H PHE 52 H PHE 52 6.598 12.940 0.627 350 HA PHE 52 HA PHE 52 8.601 10.809 0.855 351 HB2 PHE 52 1HB PHE 52 6.742 10.946 2.539 352 HB3 PHE 52 2HB PHE 52 5.610 10.599 1.237 353 HD1 PHE 52 1HD PHE 52 8.798 9.209 2.595 354 HD2 PHE 52 2HD PHE 52 4.911 8.430 1.046 355 HE1 PHE 52 1HE PHE 52 9.147 6.798 2.942 356 HE2 PHE 52 2HE PHE 52 5.253 6.018 1.391 357 HZ PHE 52 HZ PHE 52 7.372 5.199 2.341 358 H ALA 53 H ALA 53 7.298 12.375 -1.574 359 HA ALA 53 HA ALA 53 6.048 10.406 -3.171 360 HB1 ALA 53 1HB ALA 53 7.212 12.212 -4.930 361 HB2 ALA 53 2HB ALA 53 5.583 12.290 -4.258 362 HB3 ALA 53 3HB ALA 53 6.904 13.151 -3.468 363 HA PRO 54 HA PRO 54 10.335 9.879 -5.328 364 HB2 PRO 54 1HB PRO 54 12.481 11.060 -4.158 365 HB3 PRO 54 2HB PRO 54 11.477 11.872 -5.364 366 HG2 PRO 54 1HG PRO 54 11.420 12.110 -2.381 367 HG3 PRO 54 2HG PRO 54 11.305 13.386 -3.607 368 HD2 PRO 54 1HD PRO 54 9.134 12.397 -2.325 369 HD3 PRO 54 2HD PRO 54 9.070 12.980 -4.001 370 H GLU 55 H GLU 55 10.170 9.999 -1.832 371 HA GLU 55 HA GLU 55 12.216 8.123 -1.288 372 HB2 GLU 55 1HB GLU 55 11.003 9.764 0.311 373 HB3 GLU 55 2HB GLU 55 9.802 8.489 0.462 374 HG2 GLU 55 1HG GLU 55 11.195 8.100 2.257 375 HG3 GLU 55 2HG GLU 55 11.802 6.975 1.044 376 H TYR 56 H TYR 56 8.748 7.805 -1.860 377 HA TYR 56 HA TYR 56 8.518 5.076 -1.212 378 HB2 TYR 56 1HB TYR 56 6.634 6.745 -1.549 379 HB3 TYR 56 2HB TYR 56 6.862 6.524 -3.280 380 HD1 TYR 56 1HD TYR 56 6.745 4.170 -0.374 381 HD2 TYR 56 2HD TYR 56 5.162 5.252 -4.172 382 HE1 TYR 56 1HE TYR 56 5.268 2.204 -0.312 383 HE2 TYR 56 2HE TYR 56 3.680 3.290 -4.120 384 HH TYR 56 HH TYR 56 2.952 1.563 -2.926 385 H GLU 57 H GLU 57 8.883 6.662 -4.384 386 HA GLU 57 HA GLU 57 8.896 4.553 -6.079 387 HB2 GLU 57 1HB GLU 57 10.834 6.873 -6.113 388 HB3 GLU 57 2HB GLU 57 10.536 5.796 -7.470 389 HG2 GLU 57 1HG GLU 57 8.328 6.575 -7.735 390 HG3 GLU 57 2HG GLU 57 8.355 7.402 -6.178 391 H LYS 58 H LYS 58 11.732 5.674 -4.243 392 HA LYS 58 HA LYS 58 13.605 3.855 -5.109 393 HB2 LYS 58 1HB LYS 58 13.206 5.076 -2.379 394 HB3 LYS 58 2HB LYS 58 14.612 4.104 -2.791 395 HG2 LYS 58 1HG LYS 58 15.379 5.680 -4.355 396 HG3 LYS 58 2HG LYS 58 13.832 6.531 -4.375 397 HD2 LYS 58 1HD LYS 58 14.181 7.370 -2.168 398 HD3 LYS 58 2HD LYS 58 15.593 6.336 -1.937 399 HE2 LYS 58 1HE LYS 58 16.643 7.573 -3.882 400 HE3 LYS 58 2HE LYS 58 15.311 8.720 -3.752 401 HZ1 LYS 58 1HZ LYS 58 16.545 8.230 -1.227 402 HZ2 LYS 58 2HZ LYS 58 16.267 9.698 -2.020 403 HZ3 LYS 58 3HZ LYS 58 17.662 8.804 -2.361 404 H ILE 59 H ILE 59 11.263 3.452 -2.469 405 HA ILE 59 HA ILE 59 12.049 0.949 -1.567 406 HB ILE 59 HB ILE 59 9.256 2.088 -1.718 407 HG12 ILE 59 1HG1 ILE 59 11.149 1.963 0.634 408 HG13 ILE 59 2HG1 ILE 59 11.003 3.368 -0.417 409 HG21 ILE 59 1HG2 ILE 59 10.337 -0.304 -0.246 410 HG22 ILE 59 2HG2 ILE 59 8.803 0.468 0.147 411 HG23 ILE 59 3HG2 ILE 59 9.040 -0.263 -1.440 412 HD11 ILE 59 1HD1 ILE 59 8.909 2.197 1.389 413 HD12 ILE 59 2HD1 ILE 59 9.684 3.778 1.501 414 HD13 ILE 59 3HD1 ILE 59 8.571 3.433 0.177 415 H ALA 60 H ALA 60 9.820 1.780 -4.197 416 HA ALA 60 HA ALA 60 8.744 -0.596 -4.903 417 HB1 ALA 60 1HB ALA 60 8.414 1.553 -6.100 418 HB2 ALA 60 2HB ALA 60 9.968 1.305 -6.898 419 HB3 ALA 60 3HB ALA 60 8.643 0.175 -7.177 420 H SER 61 H SER 61 11.843 0.521 -6.284 421 HA SER 61 HA SER 61 12.565 -1.818 -7.553 422 HB2 SER 61 1HB SER 61 14.614 -0.840 -7.888 423 HB3 SER 61 2HB SER 61 13.717 0.586 -7.367 424 HG SER 61 HG SER 61 15.354 -1.074 -5.747 425 H THR 62 H THR 62 13.553 -0.791 -4.286 426 HA THR 62 HA THR 62 15.077 -2.858 -3.456 427 HB THR 62 HB THR 62 12.858 -1.731 -1.742 428 HG1 THR 62 1HG THR 62 14.473 -0.141 -1.192 429 HG21 THR 62 1HG2 THR 62 14.299 -3.722 -0.969 430 HG22 THR 62 2HG2 THR 62 14.152 -2.336 0.112 431 HG23 THR 62 3HG2 THR 62 15.609 -2.547 -0.858 432 H LEU 63 H LEU 63 11.560 -2.850 -2.843 433 HA LEU 63 HA LEU 63 11.422 -5.570 -2.158 434 HB2 LEU 63 1HB LEU 63 9.314 -3.673 -3.171 435 HB3 LEU 63 2HB LEU 63 8.968 -5.300 -2.589 436 HG LEU 63 HG LEU 63 10.250 -3.160 -0.898 437 HD11 LEU 63 1HD1 LEU 63 7.714 -3.565 0.071 438 HD12 LEU 63 2HD1 LEU 63 7.471 -3.552 -1.675 439 HD13 LEU 63 3HD1 LEU 63 8.247 -2.180 -0.883 440 HD21 LEU 63 1HD2 LEU 63 8.856 -5.704 -0.089 441 HD22 LEU 63 2HD2 LEU 63 9.771 -4.601 0.938 442 HD23 LEU 63 3HD2 LEU 63 10.603 -5.562 -0.285 443 H LYS 64 H LYS 64 11.036 -3.897 -5.233 444 HA LYS 64 HA LYS 64 9.923 -5.784 -6.848 445 HB2 LYS 64 1HB LYS 64 10.761 -3.485 -7.498 446 HB3 LYS 64 2HB LYS 64 12.361 -4.198 -7.656 447 HG2 LYS 64 1HG LYS 64 11.794 -5.398 -9.531 448 HG3 LYS 64 2HG LYS 64 10.074 -5.410 -9.133 449 HD2 LYS 64 1HD LYS 64 10.351 -3.940 -10.982 450 HD3 LYS 64 2HD LYS 64 10.063 -2.932 -9.562 451 HE2 LYS 64 1HE LYS 64 11.833 -1.875 -10.658 452 HE3 LYS 64 2HE LYS 64 12.616 -2.801 -9.378 453 HZ1 LYS 64 1HZ LYS 64 12.660 -3.226 -12.272 454 HZ2 LYS 64 2HZ LYS 64 12.734 -4.590 -11.275 455 HZ3 LYS 64 3HZ LYS 64 13.907 -3.379 -11.139 456 H ASP 65 H ASP 65 13.378 -5.570 -6.017 457 HA ASP 65 HA ASP 65 13.974 -8.058 -7.341 458 HB2 ASP 65 1HB ASP 65 15.523 -5.996 -5.850 459 HB3 ASP 65 2HB ASP 65 16.206 -7.617 -5.949 460 H ASN 66 H ASN 66 13.391 -6.967 -4.057 461 HA ASN 66 HA ASN 66 14.326 -8.872 -2.431 462 HB2 ASN 66 1HB ASN 66 12.788 -7.023 -1.758 463 HB3 ASN 66 2HB ASN 66 11.436 -7.981 -2.354 464 HD21 ASN 66 1HD2 ASN 66 10.785 -9.800 -1.225 465 HD22 ASN 66 2HD2 ASN 66 11.296 -10.112 0.396 466 H ASP 67 H ASP 67 13.647 -10.915 -1.636 467 HA ASP 67 HA ASP 67 12.107 -12.480 -3.601 468 HB2 ASP 67 1HB ASP 67 14.467 -13.144 -3.473 469 HB3 ASP 67 2HB ASP 67 14.303 -13.411 -1.739 470 HA PRO 68 HA PRO 68 10.725 -13.845 -3.984 471 HB2 PRO 68 1HB PRO 68 8.033 -13.538 -4.150 472 HB3 PRO 68 2HB PRO 68 8.797 -15.023 -3.571 473 HG2 PRO 68 1HG PRO 68 7.602 -12.772 -2.001 474 HG3 PRO 68 2HG PRO 68 7.452 -14.520 -1.742 475 HD2 PRO 68 1HD PRO 68 9.147 -12.974 -0.304 476 HD3 PRO 68 2HD PRO 68 9.502 -14.668 -0.699 477 HA PRO 69 HA PRO 69 10.462 -9.830 -5.759 478 HB2 PRO 69 1HB PRO 69 9.176 -10.286 -8.106 479 HB3 PRO 69 2HB PRO 69 10.841 -10.801 -7.807 480 HG2 PRO 69 1HG PRO 69 8.311 -12.395 -7.665 481 HG3 PRO 69 2HG PRO 69 9.878 -12.843 -8.362 482 HD2 PRO 69 1HD PRO 69 9.077 -13.684 -5.916 483 HD3 PRO 69 2HD PRO 69 10.781 -13.375 -6.309 484 H ILE 70 H ILE 70 9.140 -8.607 -4.446 485 HA ILE 70 HA ILE 70 6.251 -8.821 -4.701 486 HB ILE 70 HB ILE 70 7.889 -6.937 -3.000 487 HG12 ILE 70 1HG1 ILE 70 6.384 -9.371 -2.056 488 HG13 ILE 70 2HG1 ILE 70 8.067 -9.466 -2.565 489 HG21 ILE 70 1HG2 ILE 70 4.994 -7.312 -3.434 490 HG22 ILE 70 2HG2 ILE 70 5.516 -7.107 -1.763 491 HG23 ILE 70 3HG2 ILE 70 5.896 -5.872 -2.962 492 HD11 ILE 70 1HD1 ILE 70 6.998 -8.688 -0.052 493 HD12 ILE 70 2HD1 ILE 70 8.686 -8.864 -0.534 494 HD13 ILE 70 3HD1 ILE 70 7.864 -7.319 -0.748 495 H ALA 71 H ALA 71 4.898 -7.133 -5.373 496 HA ALA 71 HA ALA 71 6.224 -5.123 -7.071 497 HB1 ALA 71 1HB ALA 71 4.307 -7.020 -7.754 498 HB2 ALA 71 2HB ALA 71 3.423 -5.496 -7.663 499 HB3 ALA 71 3HB ALA 71 4.827 -5.640 -8.721 500 H VAL 72 H VAL 72 6.196 -3.156 -6.220 501 HA VAL 72 HA VAL 72 4.286 -2.423 -4.182 502 HB VAL 72 HB VAL 72 6.507 -0.840 -5.479 503 HG11 VAL 72 1HG1 VAL 72 4.448 -0.104 -3.462 504 HG12 VAL 72 2HG1 VAL 72 6.080 0.540 -3.275 505 HG13 VAL 72 3HG1 VAL 72 5.165 0.864 -4.749 506 HG21 VAL 72 1HG2 VAL 72 7.753 -2.162 -4.166 507 HG22 VAL 72 2HG2 VAL 72 7.142 -1.171 -2.842 508 HG23 VAL 72 3HG2 VAL 72 6.362 -2.705 -3.229 509 H ALA 73 H ALA 73 2.624 -0.987 -4.346 510 HA ALA 73 HA ALA 73 2.196 0.424 -6.867 511 HB1 ALA 73 1HB ALA 73 0.085 -0.468 -7.317 512 HB2 ALA 73 2HB ALA 73 1.064 -1.874 -6.895 513 HB3 ALA 73 3HB ALA 73 -0.053 -1.191 -5.714 514 H LYS 74 H LYS 74 0.705 2.167 -6.718 515 HA LYS 74 HA LYS 74 0.137 3.002 -3.948 516 HB2 LYS 74 1HB LYS 74 0.586 5.252 -4.526 517 HB3 LYS 74 2HB LYS 74 1.904 4.314 -5.216 518 HG2 LYS 74 1HG LYS 74 1.123 4.583 -7.391 519 HG3 LYS 74 2HG LYS 74 -0.499 5.029 -6.853 520 HD2 LYS 74 1HD LYS 74 0.294 7.098 -7.398 521 HD3 LYS 74 2HD LYS 74 0.830 7.022 -5.717 522 HE2 LYS 74 1HE LYS 74 2.956 5.907 -6.848 523 HE3 LYS 74 2HE LYS 74 2.402 6.847 -8.233 524 HZ1 LYS 74 1HZ LYS 74 3.128 7.874 -5.546 525 HZ2 LYS 74 2HZ LYS 74 2.391 8.817 -6.741 526 HZ3 LYS 74 3HZ LYS 74 3.930 8.168 -7.007 527 H ILE 75 H ILE 75 -1.806 4.115 -3.548 528 HA ILE 75 HA ILE 75 -3.765 4.202 -5.722 529 HB ILE 75 HB ILE 75 -4.270 2.859 -3.065 530 HG12 ILE 75 1HG1 ILE 75 -4.555 1.610 -5.785 531 HG13 ILE 75 2HG1 ILE 75 -2.996 1.638 -4.967 532 HG21 ILE 75 1HG2 ILE 75 -6.056 4.175 -4.856 533 HG22 ILE 75 2HG2 ILE 75 -6.391 2.445 -4.881 534 HG23 ILE 75 3HG2 ILE 75 -6.419 3.326 -3.354 535 HD11 ILE 75 1HD1 ILE 75 -3.987 0.437 -3.075 536 HD12 ILE 75 2HD1 ILE 75 -5.525 0.377 -3.936 537 HD13 ILE 75 3HD1 ILE 75 -4.118 -0.463 -4.586 538 H ASP 76 H ASP 76 -5.189 5.867 -5.595 539 HA ASP 76 HA ASP 76 -4.709 7.832 -3.498 540 HB2 ASP 76 1HB ASP 76 -6.260 9.242 -4.975 541 HB3 ASP 76 2HB ASP 76 -4.687 8.810 -5.642 542 H ALA 77 H ALA 77 -5.757 6.573 -1.824 543 HA ALA 77 HA ALA 77 -8.230 5.532 -1.664 544 HB1 ALA 77 1HB ALA 77 -7.915 7.231 0.627 545 HB2 ALA 77 2HB ALA 77 -7.762 5.478 0.504 546 HB3 ALA 77 3HB ALA 77 -6.367 6.510 0.187 547 H THR 78 H THR 78 -7.573 9.001 -1.154 548 HA THR 78 HA THR 78 -10.015 10.025 -0.694 549 HB THR 78 HB THR 78 -8.086 11.474 -0.910 550 HG1 THR 78 1HG THR 78 -10.434 12.108 -1.614 551 HG21 THR 78 1HG2 THR 78 -6.949 10.426 -2.770 552 HG22 THR 78 2HG2 THR 78 -7.246 12.121 -3.153 553 HG23 THR 78 3HG2 THR 78 -8.261 10.866 -3.862 554 H SER 79 H SER 79 -8.840 8.929 -3.841 555 HA SER 79 HA SER 79 -11.291 9.678 -5.177 556 HB2 SER 79 1HB SER 79 -8.966 9.675 -6.238 557 HB3 SER 79 2HB SER 79 -9.108 7.918 -6.296 558 HG SER 79 HG SER 79 -9.895 9.418 -8.145 559 H ALA 80 H ALA 80 -9.757 6.728 -4.005 560 HA ALA 80 HA ALA 80 -12.020 5.122 -4.913 561 HB1 ALA 80 1HB ALA 80 -10.080 3.656 -3.373 562 HB2 ALA 80 2HB ALA 80 -10.556 3.459 -5.060 563 HB3 ALA 80 3HB ALA 80 -9.290 4.608 -4.629 564 H SER 81 H SER 81 -13.731 5.487 -3.591 565 HA SER 81 HA SER 81 -13.511 5.852 -0.779 566 HB2 SER 81 1HB SER 81 -15.833 5.348 -2.632 567 HB3 SER 81 2HB SER 81 -16.051 5.453 -0.885 568 HG SER 81 HG SER 81 -16.050 7.526 -1.147 569 H MET 82 H MET 82 -14.765 3.154 -2.743 570 HA MET 82 HA MET 82 -15.391 1.371 -0.754 571 HB2 MET 82 1HB MET 82 -15.686 1.098 -3.263 572 HB3 MET 82 2HB MET 82 -14.016 0.548 -3.309 573 HG2 MET 82 1HG MET 82 -15.871 -0.771 -1.405 574 HG3 MET 82 2HG MET 82 -16.037 -1.132 -3.122 575 HE1 MET 82 1HE MET 82 -12.509 -2.041 -4.106 576 HE2 MET 82 2HE MET 82 -13.865 -3.153 -4.294 577 HE3 MET 82 3HE MET 82 -14.098 -1.424 -4.558 578 H LEU 83 H LEU 83 -12.273 1.393 -2.495 579 HA LEU 83 HA LEU 83 -10.955 -0.427 -0.864 580 HB2 LEU 83 1HB LEU 83 -9.831 1.915 -2.393 581 HB3 LEU 83 2HB LEU 83 -8.866 0.613 -1.701 582 HG LEU 83 HG LEU 83 -10.972 0.202 -3.820 583 HD11 LEU 83 1HD1 LEU 83 -8.890 -0.164 -5.267 584 HD12 LEU 83 2HD1 LEU 83 -8.032 0.754 -4.030 585 HD13 LEU 83 3HD1 LEU 83 -9.368 1.496 -4.911 586 HD21 LEU 83 1HD2 LEU 83 -8.711 -1.656 -3.309 587 HD22 LEU 83 2HD2 LEU 83 -10.348 -1.990 -3.873 588 HD23 LEU 83 3HD2 LEU 83 -10.055 -1.651 -2.167 589 H ALA 84 H ALA 84 -11.150 3.102 -0.591 590 HA ALA 84 HA ALA 84 -9.399 3.548 1.488 591 HB1 ALA 84 1HB ALA 84 -10.527 5.338 0.271 592 HB2 ALA 84 2HB ALA 84 -12.054 4.908 1.043 593 HB3 ALA 84 3HB ALA 84 -10.720 5.532 2.013 594 H SER 85 H SER 85 -12.856 2.728 1.735 595 HA SER 85 HA SER 85 -12.896 2.643 4.565 596 HB2 SER 85 1HB SER 85 -14.732 1.677 2.399 597 HB3 SER 85 2HB SER 85 -15.019 1.185 4.068 598 HG SER 85 HG SER 85 -15.633 3.493 2.899 599 H LYS 86 H LYS 86 -12.356 0.204 2.080 600 HA LYS 86 HA LYS 86 -12.523 -2.134 3.484 601 HB2 LYS 86 1HB LYS 86 -11.838 -1.694 1.021 602 HB3 LYS 86 2HB LYS 86 -10.195 -1.649 1.647 603 HG2 LYS 86 1HG LYS 86 -10.650 -3.925 2.644 604 HG3 LYS 86 2HG LYS 86 -12.127 -3.948 1.678 605 HD2 LYS 86 1HD LYS 86 -10.958 -3.994 -0.333 606 HD3 LYS 86 2HD LYS 86 -9.479 -3.369 0.401 607 HE2 LYS 86 1HE LYS 86 -9.495 -5.570 1.752 608 HE3 LYS 86 2HE LYS 86 -10.630 -6.134 0.527 609 HZ1 LYS 86 1HZ LYS 86 -9.041 -6.010 -1.125 610 HZ2 LYS 86 2HZ LYS 86 -8.134 -6.558 0.193 611 HZ3 LYS 86 3HZ LYS 86 -8.058 -4.932 -0.267 612 H PHE 87 H PHE 87 -9.577 -0.142 3.191 613 HA PHE 87 HA PHE 87 -8.429 -1.574 5.470 614 HB2 PHE 87 1HB PHE 87 -7.125 0.437 3.624 615 HB3 PHE 87 2HB PHE 87 -6.311 -0.555 4.829 616 HD1 PHE 87 2HD PHE 87 -8.131 -0.636 1.623 617 HD2 PHE 87 1HD PHE 87 -5.679 -2.781 4.362 618 HE1 PHE 87 2HE PHE 87 -7.794 -2.396 -0.063 619 HE2 PHE 87 1HE PHE 87 -5.337 -4.545 2.680 620 HZ PHE 87 HZ PHE 87 -6.396 -4.354 0.465 621 H ASP 88 H ASP 88 -10.597 0.388 5.748 622 HA ASP 88 HA ASP 88 -11.102 2.385 6.805 623 HB2 ASP 88 1HB ASP 88 -9.363 0.814 8.699 624 HB3 ASP 88 2HB ASP 88 -10.160 2.307 9.190 625 H VAL 89 H VAL 89 -9.152 2.958 4.961 626 HA VAL 89 HA VAL 89 -6.830 4.170 5.994 627 HB VAL 89 HB VAL 89 -8.322 4.792 3.441 628 HG11 VAL 89 1HG1 VAL 89 -5.415 5.330 3.927 629 HG12 VAL 89 2HG1 VAL 89 -6.482 6.003 2.693 630 HG13 VAL 89 3HG1 VAL 89 -6.643 6.514 4.374 631 HG21 VAL 89 1HG2 VAL 89 -7.372 2.996 2.511 632 HG22 VAL 89 2HG2 VAL 89 -5.812 3.321 3.267 633 HG23 VAL 89 3HG2 VAL 89 -7.062 2.456 4.161 634 H SER 90 H SER 90 -7.279 5.500 7.726 635 HA SER 90 HA SER 90 -8.938 7.869 7.169 636 HB2 SER 90 1HB SER 90 -9.459 6.250 9.145 637 HB3 SER 90 2HB SER 90 -8.097 7.047 9.934 638 HG SER 90 HG SER 90 -10.628 7.949 9.516 639 H GLY 91 H GLY 91 -6.297 7.727 6.201 640 HA2 GLY 91 1HA GLY 91 -5.259 10.178 7.086 641 HA3 GLY 91 2HA GLY 91 -4.379 8.892 7.897 642 H TYR 92 H TYR 92 -2.891 10.469 6.387 643 HA TYR 92 HA TYR 92 -1.903 8.696 4.366 644 HB2 TYR 92 1HB TYR 92 -2.671 11.410 3.337 645 HB3 TYR 92 2HB TYR 92 -2.284 9.952 2.430 646 HD1 TYR 92 2HD TYR 92 -4.882 11.669 4.392 647 HD2 TYR 92 1HD TYR 92 -3.964 8.305 1.955 648 HE1 TYR 92 2HE TYR 92 -7.281 11.162 4.199 649 HE2 TYR 92 1HE TYR 92 -6.360 7.789 1.754 650 HH TYR 92 HH TYR 92 -8.423 8.366 2.324 651 HA PRO 93 HA PRO 93 -0.355 8.650 2.842 652 HB2 PRO 93 1HB PRO 93 2.041 7.437 3.241 653 HB3 PRO 93 2HB PRO 93 1.848 8.872 2.226 654 HG2 PRO 93 1HG PRO 93 2.796 8.668 5.058 655 HG3 PRO 93 2HG PRO 93 3.441 9.650 3.730 656 HD2 PRO 93 1HD PRO 93 1.834 10.676 5.653 657 HD3 PRO 93 2HD PRO 93 1.829 11.278 3.983 658 H THR 94 H THR 94 -0.366 6.282 2.978 659 HA THR 94 HA THR 94 -0.295 5.133 5.653 660 HB THR 94 HB THR 94 -2.800 5.129 3.961 661 HG1 THR 94 1HG THR 94 -2.620 6.973 5.253 662 HG21 THR 94 1HG2 THR 94 -1.873 3.348 6.133 663 HG22 THR 94 2HG2 THR 94 -2.999 3.035 4.812 664 HG23 THR 94 3HG2 THR 94 -3.538 3.915 6.242 665 H ILE 95 H ILE 95 1.062 3.490 5.321 666 HA ILE 95 HA ILE 95 0.985 2.001 2.818 667 HB ILE 95 HB ILE 95 2.848 1.662 5.170 668 HG12 ILE 95 1HG1 ILE 95 3.600 2.950 2.568 669 HG13 ILE 95 2HG1 ILE 95 2.809 3.903 3.819 670 HG21 ILE 95 1HG2 ILE 95 3.726 0.839 2.505 671 HG22 ILE 95 2HG2 ILE 95 3.868 0.010 4.054 672 HG23 ILE 95 3HG2 ILE 95 2.367 -0.092 3.135 673 HD11 ILE 95 1HD1 ILE 95 5.384 2.382 4.145 674 HD12 ILE 95 2HD1 ILE 95 5.232 4.123 3.903 675 HD13 ILE 95 3HD1 ILE 95 4.600 3.378 5.371 676 H LYS 96 H LYS 96 0.417 -0.121 2.618 677 HA LYS 96 HA LYS 96 -0.334 -1.623 5.009 678 HB2 LYS 96 1HB LYS 96 -2.199 -1.130 2.680 679 HB3 LYS 96 2HB LYS 96 -2.496 -2.279 3.978 680 HG2 LYS 96 1HG LYS 96 -1.996 0.597 4.612 681 HG3 LYS 96 2HG LYS 96 -3.588 0.066 4.062 682 HD2 LYS 96 1HD LYS 96 -3.362 -1.733 5.907 683 HD3 LYS 96 2HD LYS 96 -2.099 -0.684 6.554 684 HE2 LYS 96 1HE LYS 96 -3.966 1.159 6.226 685 HE3 LYS 96 2HE LYS 96 -5.034 -0.237 6.352 686 HZ1 LYS 96 1HZ LYS 96 -4.814 0.491 8.525 687 HZ2 LYS 96 2HZ LYS 96 -3.167 0.843 8.365 688 HZ3 LYS 96 3HZ LYS 96 -3.684 -0.766 8.444 689 H ILE 97 H ILE 97 -0.838 -3.929 4.471 690 HA ILE 97 HA ILE 97 0.615 -4.821 2.070 691 HB ILE 97 HB ILE 97 0.771 -6.108 4.798 692 HG12 ILE 97 1HG1 ILE 97 3.137 -4.985 3.366 693 HG13 ILE 97 2HG1 ILE 97 2.051 -3.865 4.181 694 HG21 ILE 97 1HG2 ILE 97 2.444 -6.815 2.416 695 HG22 ILE 97 2HG2 ILE 97 2.136 -7.752 3.877 696 HG23 ILE 97 3HG2 ILE 97 0.864 -7.555 2.672 697 HD11 ILE 97 1HD1 ILE 97 2.554 -5.941 5.999 698 HD12 ILE 97 2HD1 ILE 97 4.105 -5.509 5.280 699 HD13 ILE 97 3HD1 ILE 97 3.123 -4.273 6.065 700 H LEU 98 H LEU 98 -0.363 -6.357 0.888 701 HA LEU 98 HA LEU 98 -2.856 -7.500 1.955 702 HB2 LEU 98 1HB LEU 98 -2.889 -5.993 -0.100 703 HB3 LEU 98 2HB LEU 98 -2.097 -7.320 -0.947 704 HG LEU 98 HG LEU 98 -4.141 -8.709 -0.121 705 HD11 LEU 98 1HD1 LEU 98 -6.044 -7.620 0.507 706 HD12 LEU 98 2HD1 LEU 98 -5.598 -6.127 -0.318 707 HD13 LEU 98 3HD1 LEU 98 -4.840 -6.545 1.219 708 HD21 LEU 98 1HD2 LEU 98 -4.796 -6.700 -2.234 709 HD22 LEU 98 2HD2 LEU 98 -5.107 -8.435 -2.200 710 HD23 LEU 98 3HD2 LEU 98 -3.471 -7.838 -2.479 711 H LYS 99 H LYS 99 -2.532 -9.496 2.685 712 HA LYS 99 HA LYS 99 -0.682 -11.260 1.234 713 HB2 LYS 99 1HB LYS 99 -1.697 -11.238 4.064 714 HB3 LYS 99 2HB LYS 99 -0.989 -12.689 3.368 715 HG2 LYS 99 1HG LYS 99 0.507 -10.114 3.221 716 HG3 LYS 99 2HG LYS 99 0.480 -11.028 4.731 717 HD2 LYS 99 1HD LYS 99 1.259 -12.227 2.079 718 HD3 LYS 99 2HD LYS 99 2.421 -11.518 3.204 719 HE2 LYS 99 1HE LYS 99 0.592 -13.860 3.723 720 HE3 LYS 99 2HE LYS 99 2.342 -13.913 3.516 721 HZ1 LYS 99 1HZ LYS 99 2.529 -13.624 5.688 722 HZ2 LYS 99 2HZ LYS 99 0.858 -13.440 5.866 723 HZ3 LYS 99 3HZ LYS 99 1.827 -12.092 5.543 724 H LYS 100 H LYS 100 -1.758 -12.331 -0.309 725 HA LYS 100 HA LYS 100 -3.368 -13.548 -1.378 726 HB2 LYS 100 1HB LYS 100 -3.627 -14.818 1.354 727 HB3 LYS 100 2HB LYS 100 -4.114 -15.536 -0.175 728 HG2 LYS 100 1HG LYS 100 -1.749 -15.478 -0.904 729 HG3 LYS 100 2HG LYS 100 -1.308 -14.884 0.698 730 HD2 LYS 100 1HD LYS 100 -2.174 -16.909 1.717 731 HD3 LYS 100 2HD LYS 100 -2.719 -17.494 0.143 732 HE2 LYS 100 1HE LYS 100 -0.527 -17.825 -0.615 733 HE3 LYS 100 2HE LYS 100 0.159 -16.814 0.655 734 HZ1 LYS 100 1HZ LYS 100 -1.236 -19.362 1.227 735 HZ2 LYS 100 2HZ LYS 100 -0.242 -18.466 2.260 736 HZ3 LYS 100 3HZ LYS 100 0.429 -19.282 0.939 737 H GLY 101 H GLY 101 -4.233 -11.071 0.057 738 HA2 GLY 101 1HA GLY 101 -6.413 -10.121 -0.281 739 HA3 GLY 101 2HA GLY 101 -7.109 -11.699 0.055 740 H GLN 102 H GLN 102 -4.571 -10.823 2.145 741 HA GLN 102 HA GLN 102 -6.531 -10.195 4.246 742 HB2 GLN 102 1HB GLN 102 -5.348 -12.198 4.779 743 HB3 GLN 102 2HB GLN 102 -3.800 -11.468 4.375 744 HG2 GLN 102 1HG GLN 102 -3.819 -11.491 6.693 745 HG3 GLN 102 2HG GLN 102 -4.279 -9.839 6.285 746 HE21 GLN 102 1HE2 GLN 102 -6.305 -9.111 6.776 747 HE22 GLN 102 2HE2 GLN 102 -7.432 -10.009 7.729 748 H ALA 103 H ALA 103 -6.524 -8.234 5.125 749 HA ALA 103 HA ALA 103 -4.527 -6.309 4.303 750 HB1 ALA 103 1HB ALA 103 -6.507 -5.214 4.281 751 HB2 ALA 103 2HB ALA 103 -7.195 -6.203 5.569 752 HB3 ALA 103 3HB ALA 103 -6.080 -4.895 5.963 753 H VAL 104 H VAL 104 -2.714 -5.966 5.391 754 HA VAL 104 HA VAL 104 -2.679 -6.520 8.287 755 HB VAL 104 HB VAL 104 -0.390 -6.690 6.321 756 HG11 VAL 104 1HG1 VAL 104 -0.188 -6.021 8.949 757 HG12 VAL 104 2HG1 VAL 104 -0.054 -7.779 9.024 758 HG13 VAL 104 3HG1 VAL 104 1.064 -6.849 8.025 759 HG21 VAL 104 1HG2 VAL 104 -2.151 -8.523 6.311 760 HG22 VAL 104 2HG2 VAL 104 -0.481 -9.031 6.564 761 HG23 VAL 104 3HG2 VAL 104 -1.588 -8.927 7.933 762 H ASP 105 H ASP 105 -3.167 -4.480 9.025 763 HA ASP 105 HA ASP 105 -2.327 -2.042 8.084 764 HB2 ASP 105 1HB ASP 105 -2.729 -1.160 10.315 765 HB3 ASP 105 2HB ASP 105 -3.960 -2.356 9.918 766 H TYR 106 H TYR 106 -0.535 -0.778 8.253 767 HA TYR 106 HA TYR 106 1.875 -2.094 9.290 768 HB2 TYR 106 1HB TYR 106 2.066 -1.489 6.972 769 HB3 TYR 106 2HB TYR 106 1.510 0.149 7.299 770 HD1 TYR 106 2HD TYR 106 4.313 -2.211 7.825 771 HD2 TYR 106 1HD TYR 106 3.025 1.842 7.962 772 HE1 TYR 106 2HE TYR 106 6.645 -1.486 8.121 773 HE2 TYR 106 1HE TYR 106 5.353 2.578 8.256 774 HH TYR 106 HH TYR 106 7.513 1.535 9.164 775 H ASP 107 H ASP 107 1.932 -1.580 11.428 776 HA ASP 107 HA ASP 107 1.681 1.240 12.193 777 HB2 ASP 107 1HB ASP 107 1.842 0.132 14.562 778 HB3 ASP 107 2HB ASP 107 0.340 0.034 13.647 779 H GLY 108 H GLY 108 3.722 1.897 11.370 780 HA2 GLY 108 1HA GLY 108 5.850 1.596 13.281 781 HA3 GLY 108 2HA GLY 108 6.192 0.804 11.750 782 H SER 109 H SER 109 8.001 2.489 12.044 783 HA SER 109 HA SER 109 7.376 5.221 11.522 784 HB2 SER 109 1HB SER 109 9.957 3.656 11.378 785 HB3 SER 109 2HB SER 109 9.863 5.388 11.060 786 HG SER 109 HG SER 109 10.349 4.574 13.311 787 H ARG 110 H ARG 110 8.492 6.331 9.583 788 HA ARG 110 HA ARG 110 7.641 4.896 7.164 789 HB2 ARG 110 1HB ARG 110 6.749 7.257 7.940 790 HB3 ARG 110 2HB ARG 110 8.229 7.826 7.180 791 HG2 ARG 110 1HG ARG 110 7.540 7.241 5.074 792 HG3 ARG 110 2HG ARG 110 6.449 5.984 5.663 793 HD2 ARG 110 1HD ARG 110 5.136 7.810 4.826 794 HD3 ARG 110 2HD ARG 110 4.983 7.764 6.582 795 HE ARG 110 HE ARG 110 7.017 9.549 5.550 796 HH11 ARG 110 2HH1 ARG 110 3.730 9.175 6.633 797 HH12 ARG 110 1HH1 ARG 110 3.517 10.858 6.987 798 HH21 ARG 110 2HH2 ARG 110 6.750 11.767 6.011 799 HH22 ARG 110 1HH2 ARG 110 5.236 12.331 6.632 800 H THR 111 H THR 111 9.620 3.706 7.021 801 HA THR 111 HA THR 111 11.752 5.264 5.752 802 HB THR 111 HB THR 111 13.433 3.737 6.922 803 HG1 THR 111 1HG THR 111 12.744 2.516 8.536 804 HG21 THR 111 1HG2 THR 111 13.594 5.925 7.622 805 HG22 THR 111 2HG2 THR 111 13.147 5.133 9.133 806 HG23 THR 111 3HG2 THR 111 11.924 5.980 8.186 807 H GLN 112 H GLN 112 13.079 4.058 4.308 808 HA GLN 112 HA GLN 112 11.690 2.118 2.810 809 HB2 GLN 112 1HB GLN 112 13.393 3.632 1.857 810 HB3 GLN 112 2HB GLN 112 14.639 2.779 2.758 811 HG2 GLN 112 1HG GLN 112 13.638 0.696 1.486 812 HG3 GLN 112 2HG GLN 112 13.128 1.942 0.348 813 HE21 GLN 112 1HE2 GLN 112 14.843 3.436 -0.390 814 HE22 GLN 112 2HE2 GLN 112 16.423 2.788 -0.652 815 H GLU 113 H GLU 113 14.100 1.883 5.342 816 HA GLU 113 HA GLU 113 14.710 -0.865 4.972 817 HB2 GLU 113 1HB GLU 113 14.966 0.858 7.443 818 HB3 GLU 113 2HB GLU 113 15.691 -0.729 7.234 819 HG2 GLU 113 1HG GLU 113 17.422 0.762 6.802 820 HG3 GLU 113 2HG GLU 113 16.869 0.262 5.205 821 H GLU 114 H GLU 114 12.646 0.801 7.355 822 HA GLU 114 HA GLU 114 11.641 -1.517 8.572 823 HB2 GLU 114 1HB GLU 114 10.659 1.313 8.380 824 HB3 GLU 114 2HB GLU 114 9.673 0.081 9.155 825 HG2 GLU 114 1HG GLU 114 11.874 -0.396 10.492 826 HG3 GLU 114 2HG GLU 114 12.266 1.255 10.016 827 H ILE 115 H ILE 115 9.786 0.656 6.438 828 HA ILE 115 HA ILE 115 7.601 -0.823 5.927 829 HB ILE 115 HB ILE 115 9.172 0.676 3.828 830 HG12 ILE 115 1HG1 ILE 115 6.795 1.630 5.424 831 HG13 ILE 115 2HG1 ILE 115 8.456 1.915 5.933 832 HG21 ILE 115 1HG2 ILE 115 6.940 -0.982 3.510 833 HG22 ILE 115 2HG2 ILE 115 6.325 0.669 3.448 834 HG23 ILE 115 3HG2 ILE 115 7.602 0.162 2.343 835 HD11 ILE 115 1HD1 ILE 115 7.662 2.720 3.188 836 HD12 ILE 115 2HD1 ILE 115 7.120 3.698 4.553 837 HD13 ILE 115 3HD1 ILE 115 8.843 3.437 4.283 838 H VAL 116 H VAL 116 10.597 -1.113 4.011 839 HA VAL 116 HA VAL 116 9.743 -3.317 2.483 840 HB VAL 116 HB VAL 116 12.539 -2.415 3.181 841 HG11 VAL 116 1HG1 VAL 116 12.324 -4.836 2.499 842 HG12 VAL 116 2HG1 VAL 116 11.754 -4.254 0.933 843 HG13 VAL 116 3HG1 VAL 116 13.377 -3.844 1.490 844 HG21 VAL 116 1HG2 VAL 116 12.542 -1.238 1.151 845 HG22 VAL 116 2HG2 VAL 116 11.098 -2.066 0.568 846 HG23 VAL 116 3HG2 VAL 116 10.971 -0.883 1.870 847 H ALA 117 H ALA 117 11.507 -3.098 5.535 848 HA ALA 117 HA ALA 117 12.195 -5.800 5.803 849 HB1 ALA 117 1HB ALA 117 12.018 -5.143 8.351 850 HB2 ALA 117 2HB ALA 117 13.303 -4.506 7.324 851 HB3 ALA 117 3HB ALA 117 11.888 -3.516 7.681 852 H LYS 118 H LYS 118 9.229 -4.070 6.539 853 HA LYS 118 HA LYS 118 8.022 -6.307 7.898 854 HB2 LYS 118 1HB LYS 118 7.356 -4.101 8.580 855 HB3 LYS 118 2HB LYS 118 6.921 -3.665 6.933 856 HG2 LYS 118 1HG LYS 118 4.926 -4.077 8.197 857 HG3 LYS 118 2HG LYS 118 5.123 -5.356 6.997 858 HD2 LYS 118 1HD LYS 118 4.602 -6.607 8.846 859 HD3 LYS 118 2HD LYS 118 6.362 -6.567 8.983 860 HE2 LYS 118 1HE LYS 118 6.205 -4.710 10.555 861 HE3 LYS 118 2HE LYS 118 4.450 -4.707 10.395 862 HZ1 LYS 118 1HZ LYS 118 5.996 -6.196 12.161 863 HZ2 LYS 118 2HZ LYS 118 5.321 -7.297 11.069 864 HZ3 LYS 118 3HZ LYS 118 4.319 -6.257 11.950 865 H VAL 119 H VAL 119 7.656 -4.726 4.741 866 HA VAL 119 HA VAL 119 5.583 -6.335 3.758 867 HB VAL 119 HB VAL 119 7.778 -4.878 2.287 868 HG11 VAL 119 1HG1 VAL 119 6.422 -5.141 0.272 869 HG12 VAL 119 2HG1 VAL 119 6.928 -6.707 0.908 870 HG13 VAL 119 3HG1 VAL 119 5.278 -6.141 1.167 871 HG21 VAL 119 1HG2 VAL 119 6.189 -3.511 3.615 872 HG22 VAL 119 2HG2 VAL 119 6.107 -3.192 1.882 873 HG23 VAL 119 3HG2 VAL 119 4.868 -4.179 2.657 874 H ARG 120 H ARG 120 9.050 -6.833 3.886 875 HA ARG 120 HA ARG 120 9.027 -9.126 2.158 876 HB2 ARG 120 1HB ARG 120 11.359 -9.353 2.712 877 HB3 ARG 120 2HB ARG 120 11.011 -7.649 2.451 878 HG2 ARG 120 1HG ARG 120 10.994 -7.237 4.821 879 HG3 ARG 120 2HG ARG 120 11.179 -8.960 5.155 880 HD2 ARG 120 1HD ARG 120 13.176 -7.246 3.682 881 HD3 ARG 120 2HD ARG 120 13.294 -7.712 5.378 882 HE ARG 120 HE ARG 120 13.074 -9.902 3.499 883 HH11 ARG 120 2HH1 ARG 120 15.185 -7.823 5.326 884 HH12 ARG 120 1HH1 ARG 120 16.528 -8.915 5.265 885 HH21 ARG 120 2HH2 ARG 120 14.835 -11.349 3.412 886 HH22 ARG 120 1HH2 ARG 120 16.328 -10.921 4.175 887 H GLU 121 H GLU 121 9.151 -8.581 5.654 888 HA GLU 121 HA GLU 121 9.422 -11.308 6.370 889 HB2 GLU 121 1HB GLU 121 9.313 -10.596 8.547 890 HB3 GLU 121 2HB GLU 121 9.743 -9.084 7.759 891 HG2 GLU 121 1HG GLU 121 7.496 -8.305 7.854 892 HG3 GLU 121 2HG GLU 121 6.915 -9.879 8.394 893 H VAL 122 H VAL 122 6.640 -9.195 5.897 894 HA VAL 122 HA VAL 122 4.663 -10.931 6.892 895 HB VAL 122 HB VAL 122 4.389 -8.842 4.726 896 HG11 VAL 122 1HG1 VAL 122 2.434 -10.064 4.567 897 HG12 VAL 122 2HG1 VAL 122 2.410 -10.448 6.289 898 HG13 VAL 122 3HG1 VAL 122 1.995 -8.823 5.740 899 HG21 VAL 122 1HG2 VAL 122 3.363 -8.136 7.332 900 HG22 VAL 122 2HG2 VAL 122 5.086 -8.509 7.402 901 HG23 VAL 122 3HG2 VAL 122 4.497 -7.267 6.297 902 H SER 123 H SER 123 5.629 -10.303 3.515 903 HA SER 123 HA SER 123 4.043 -12.024 2.156 904 HB2 SER 123 1HB SER 123 5.690 -12.106 0.438 905 HB3 SER 123 2HB SER 123 5.897 -10.544 1.230 906 HG SER 123 HG SER 123 7.509 -11.820 2.565 907 H GLN 124 H GLN 124 6.773 -12.874 4.182 908 HA GLN 124 HA GLN 124 7.175 -15.513 3.416 909 HB2 GLN 124 1HB GLN 124 7.365 -14.376 6.211 910 HB3 GLN 124 2HB GLN 124 8.120 -15.860 5.647 911 HG2 GLN 124 1HG GLN 124 8.745 -13.062 4.735 912 HG3 GLN 124 2HG GLN 124 9.753 -14.101 5.742 913 HE21 GLN 124 1HE2 GLN 124 9.917 -12.821 2.945 914 HE22 GLN 124 2HE2 GLN 124 10.503 -14.111 1.958 915 HA PRO 125 HA PRO 125 3.499 -17.622 4.606 916 HB2 PRO 125 1HB PRO 125 4.505 -20.134 4.828 917 HB3 PRO 125 2HB PRO 125 4.236 -19.341 3.272 918 HG2 PRO 125 1HG PRO 125 6.773 -19.639 4.831 919 HG3 PRO 125 2HG PRO 125 6.501 -19.832 3.090 920 HD2 PRO 125 1HD PRO 125 7.573 -17.586 4.157 921 HD3 PRO 125 2HD PRO 125 6.555 -17.561 2.702 922 H ASP 126 H ASP 126 6.403 -17.782 6.542 923 HA ASP 126 HA ASP 126 5.190 -19.098 8.778 924 HB2 ASP 126 1HB ASP 126 7.275 -18.407 9.976 925 HB3 ASP 126 2HB ASP 126 7.571 -19.300 8.486 926 H TRP 127 H TRP 127 5.953 -15.744 7.948 927 HA TRP 127 HA TRP 127 5.366 -14.481 10.323 928 HB2 TRP 127 1HB TRP 127 6.261 -13.252 8.444 929 HB3 TRP 127 2HB TRP 127 4.808 -13.560 7.497 930 HD1 TRP 127 HD TRP 127 6.275 -11.140 9.952 931 HE1 TRP 127 1HE TRP 127 4.565 -9.291 10.481 932 HE3 TRP 127 3HE TRP 127 2.136 -13.220 7.790 933 HZ2 TRP 127 2HZ TRP 127 1.824 -8.782 10.040 934 HZ3 TRP 127 3HZ TRP 127 0.009 -11.988 7.888 935 HH2 TRP 127 HH TRP 127 -0.142 -9.815 8.991 936 H THR 128 H THR 128 3.550 -13.820 11.379 937 HA THR 128 HA THR 128 0.957 -14.590 10.211 938 HB THR 128 HB THR 128 0.186 -15.146 12.523 939 HG1 THR 128 1HG THR 128 2.836 -14.454 13.059 940 HG21 THR 128 1HG2 THR 128 0.730 -16.972 11.088 941 HG22 THR 128 2HG2 THR 128 1.452 -17.319 12.660 942 HG23 THR 128 3HG2 THR 128 2.459 -16.732 11.337 943 HA PRO 129 HA PRO 129 -0.347 -10.484 11.095 944 HB2 PRO 129 1HB PRO 129 -3.022 -10.888 11.330 945 HB3 PRO 129 2HB PRO 129 -2.176 -10.933 9.779 946 HG2 PRO 129 1HG PRO 129 -3.044 -13.201 11.530 947 HG3 PRO 129 2HG PRO 129 -3.158 -13.041 9.767 948 HD2 PRO 129 1HD PRO 129 -1.215 -14.488 10.977 949 HD3 PRO 129 2HD PRO 129 -0.952 -13.629 9.446 950 HA PRO 130 HA PRO 130 -0.485 -10.280 15.525 951 HB2 PRO 130 1HB PRO 130 -0.879 -7.602 15.729 952 HB3 PRO 130 2HB PRO 130 0.683 -8.314 15.309 953 HG2 PRO 130 1HG PRO 130 -1.397 -7.121 13.517 954 HG3 PRO 130 2HG PRO 130 0.365 -6.925 13.472 955 HD2 PRO 130 1HD PRO 130 -0.956 -8.608 11.813 956 HD3 PRO 130 2HD PRO 130 0.688 -8.937 12.396 957 HA PRO 131 HA PRO 131 -4.708 -10.230 16.753 958 HB2 PRO 131 1HB PRO 131 -4.550 -9.208 19.263 959 HB3 PRO 131 2HB PRO 131 -3.997 -10.835 18.852 960 HG2 PRO 131 1HG PRO 131 -2.407 -8.320 19.181 961 HG3 PRO 131 2HG PRO 131 -2.042 -9.958 19.755 962 HD2 PRO 131 1HD PRO 131 -0.908 -8.907 17.532 963 HD3 PRO 131 2HD PRO 131 -1.257 -10.640 17.698 964 H GLU 132 H GLU 132 -6.309 -8.680 18.050 965 HA GLU 132 HA GLU 132 -7.556 -6.779 17.980 966 HB2 GLU 132 1HB GLU 132 -5.451 -5.905 19.092 967 HB3 GLU 132 2HB GLU 132 -4.963 -5.309 17.512 968 HG2 GLU 132 1HG GLU 132 -5.926 -3.474 18.584 969 HG3 GLU 132 2HG GLU 132 -7.163 -4.050 17.468 970 H VAL 133 H VAL 133 -7.401 -8.199 15.609 971 HA VAL 133 HA VAL 133 -6.980 -6.274 13.464 972 HB VAL 133 HB VAL 133 -7.838 -9.170 13.353 973 HG11 VAL 133 1HG1 VAL 133 -6.936 -7.411 11.080 974 HG12 VAL 133 2HG1 VAL 133 -7.556 -9.060 10.987 975 HG13 VAL 133 3HG1 VAL 133 -8.627 -7.739 11.455 976 HG21 VAL 133 1HG2 VAL 133 -5.685 -9.643 13.627 977 HG22 VAL 133 2HG2 VAL 133 -5.331 -8.764 12.140 978 HG23 VAL 133 3HG2 VAL 133 -5.279 -7.928 13.692 979 H THR 134 H THR 134 -8.548 -5.056 12.658 980 HA THR 134 HA THR 134 -11.339 -5.789 13.247 981 HB THR 134 HB THR 134 -10.184 -3.056 12.655 982 HG1 THR 134 1HG THR 134 -9.921 -4.226 14.827 983 HG21 THR 134 1HG2 THR 134 -12.892 -4.077 12.581 984 HG22 THR 134 2HG2 THR 134 -12.274 -2.496 12.104 985 HG23 THR 134 3HG2 THR 134 -12.718 -2.799 13.783 986 H SER 135 H SER 135 -12.865 -5.798 11.633 987 HA SER 135 HA SER 135 -13.703 -6.052 9.533 988 HB2 SER 135 1HB SER 135 -11.589 -3.980 8.898 989 HB3 SER 135 2HB SER 135 -12.856 -4.486 7.781 990 HG SER 135 HG SER 135 -14.193 -3.230 8.793 991 H GLY 136 H GLY 136 -11.921 -8.004 10.329 992 HA2 GLY 136 1HA GLY 136 -9.823 -8.511 8.512 993 HA3 GLY 136 2HA GLY 136 -10.618 -9.712 9.520 994 HA PRO 137 HA PRO 137 -12.144 -11.514 5.807 995 HB2 PRO 137 1HB PRO 137 -14.118 -13.038 6.880 996 HB3 PRO 137 2HB PRO 137 -12.403 -13.440 7.032 997 HG2 PRO 137 1HG PRO 137 -14.215 -12.099 9.002 998 HG3 PRO 137 2HG PRO 137 -13.001 -13.362 9.278 999 HD2 PRO 137 1HD PRO 137 -12.534 -10.750 9.814 1000 HD3 PRO 137 2HD PRO 137 -11.255 -11.858 9.280 1001 H SER 138 H SER 138 -13.475 -10.743 4.296 1002 HA SER 138 HA SER 138 -16.217 -10.207 4.699 1003 HB2 SER 138 1HB SER 138 -15.030 -8.213 5.846 1004 HB3 SER 138 2HB SER 138 -14.655 -7.681 4.207 1005 HG SER 138 HG SER 138 -17.258 -8.226 5.203 1006 H SER 139 H SER 139 -16.991 -10.847 2.810 1007 HA SER 139 HA SER 139 -15.489 -11.010 0.440 1008 HB2 SER 139 1HB SER 139 -17.792 -11.363 -0.630 1009 HB3 SER 139 2HB SER 139 -17.321 -12.495 0.637 1010 HG SER 139 HG SER 139 -18.550 -10.379 1.731 1011 H GLY 140 H GLY 140 -17.581 -8.519 1.730 1012 HA2 GLY 140 1HA GLY 140 -17.863 -7.034 -0.683 1013 HA3 GLY 140 2HA GLY 140 -18.167 -6.438 0.942 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -12.445 -13.074 -15.055 2 HA2 GLY 1 1HA GLY 1 -12.299 -13.018 -12.409 3 HA3 GLY 1 2HA GLY 1 -13.895 -12.318 -12.637 4 H SER 2 H SER 2 -15.374 -13.648 -14.088 5 HA SER 2 HA SER 2 -15.346 -16.370 -13.073 6 HB2 SER 2 1HB SER 2 -17.417 -14.955 -13.033 7 HB3 SER 2 2HB SER 2 -17.440 -15.024 -14.795 8 HG SER 2 HG SER 2 -17.281 -17.423 -13.362 9 H SER 3 H SER 3 -15.744 -14.826 -16.264 10 HA SER 3 HA SER 3 -14.880 -17.340 -17.514 11 HB2 SER 3 1HB SER 3 -17.058 -16.370 -18.244 12 HB3 SER 3 2HB SER 3 -16.195 -14.941 -18.812 13 HG SER 3 HG SER 3 -16.674 -16.742 -20.365 14 H GLY 4 H GLY 4 -14.397 -13.819 -17.814 15 HA2 GLY 4 1HA GLY 4 -12.445 -12.645 -18.215 16 HA3 GLY 4 2HA GLY 4 -11.565 -14.165 -18.159 17 H SER 5 H SER 5 -12.267 -11.649 -20.098 18 HA SER 5 HA SER 5 -11.799 -13.252 -22.511 19 HB2 SER 5 1HB SER 5 -14.256 -12.481 -22.198 20 HB3 SER 5 2HB SER 5 -13.644 -10.877 -22.601 21 HG SER 5 HG SER 5 -12.686 -12.646 -24.358 22 H SER 6 H SER 6 -9.947 -12.610 -23.366 23 HA SER 6 HA SER 6 -8.783 -10.064 -22.715 24 HB2 SER 6 1HB SER 6 -7.642 -12.406 -23.209 25 HB3 SER 6 2HB SER 6 -7.652 -11.802 -24.866 26 HG SER 6 HG SER 6 -6.805 -9.864 -23.234 27 H GLY 7 H GLY 7 -8.222 -8.406 -24.180 28 HA2 GLY 7 1HA GLY 7 -8.245 -7.615 -26.516 29 HA3 GLY 7 2HA GLY 7 -9.798 -8.421 -26.681 30 H ASP 8 H ASP 8 -8.365 -6.128 -24.353 31 HA ASP 8 HA ASP 8 -10.119 -4.013 -25.072 32 HB2 ASP 8 1HB ASP 8 -11.645 -5.631 -23.818 33 HB3 ASP 8 2HB ASP 8 -10.715 -5.230 -22.377 34 H ASP 9 H ASP 9 -9.440 -2.087 -24.241 35 HA ASP 9 HA ASP 9 -7.044 -2.198 -22.554 36 HB2 ASP 9 1HB ASP 9 -8.083 -0.258 -24.579 37 HB3 ASP 9 2HB ASP 9 -7.008 0.330 -23.314 38 H ASP 10 H ASP 10 -9.290 -2.665 -21.124 39 HA ASP 10 HA ASP 10 -9.814 -0.109 -19.753 40 HB2 ASP 10 1HB ASP 10 -11.544 -2.569 -20.029 41 HB3 ASP 10 2HB ASP 10 -11.890 -1.273 -18.888 42 H LEU 11 H LEU 11 -9.259 -3.575 -19.279 43 HA LEU 11 HA LEU 11 -8.887 -3.226 -16.426 44 HB2 LEU 11 1HB LEU 11 -8.783 -5.583 -18.280 45 HB3 LEU 11 2HB LEU 11 -8.250 -5.704 -16.605 46 HG LEU 11 HG LEU 11 -11.016 -4.786 -17.350 47 HD11 LEU 11 1HD1 LEU 11 -10.520 -7.566 -16.437 48 HD12 LEU 11 2HD1 LEU 11 -10.214 -7.182 -18.130 49 HD13 LEU 11 3HD1 LEU 11 -11.815 -6.915 -17.442 50 HD21 LEU 11 1HD2 LEU 11 -11.076 -4.377 -15.163 51 HD22 LEU 11 2HD2 LEU 11 -9.526 -5.174 -14.897 52 HD23 LEU 11 3HD2 LEU 11 -11.013 -6.123 -14.921 53 H GLU 12 H GLU 12 -7.080 -1.828 -18.228 54 HA GLU 12 HA GLU 12 -4.547 -3.231 -17.985 55 HB2 GLU 12 1HB GLU 12 -5.188 -1.854 -20.005 56 HB3 GLU 12 2HB GLU 12 -5.017 -0.425 -18.995 57 HG2 GLU 12 1HG GLU 12 -2.745 -2.329 -19.116 58 HG3 GLU 12 2HG GLU 12 -3.053 -1.304 -20.516 59 H VAL 13 H VAL 13 -2.661 -2.113 -17.042 60 HA VAL 13 HA VAL 13 -3.348 -0.276 -14.858 61 HB VAL 13 HB VAL 13 -1.693 -2.784 -14.548 62 HG11 VAL 13 1HG1 VAL 13 -0.582 -1.240 -13.214 63 HG12 VAL 13 2HG1 VAL 13 -2.070 -0.397 -12.778 64 HG13 VAL 13 3HG1 VAL 13 -1.722 -1.985 -12.093 65 HG21 VAL 13 1HG2 VAL 13 -3.422 -3.721 -13.411 66 HG22 VAL 13 2HG2 VAL 13 -4.019 -2.172 -12.817 67 HG23 VAL 13 3HG2 VAL 13 -4.356 -2.669 -14.475 68 H LYS 14 H LYS 14 -1.924 1.338 -14.572 69 HA LYS 14 HA LYS 14 0.495 1.311 -16.236 70 HB2 LYS 14 1HB LYS 14 0.453 3.823 -15.700 71 HB3 LYS 14 2HB LYS 14 -0.778 3.199 -16.790 72 HG2 LYS 14 1HG LYS 14 -1.434 3.317 -13.901 73 HG3 LYS 14 2HG LYS 14 -1.355 4.837 -14.795 74 HD2 LYS 14 1HD LYS 14 -2.988 2.454 -15.660 75 HD3 LYS 14 2HD LYS 14 -3.629 3.797 -14.710 76 HE2 LYS 14 1HE LYS 14 -4.167 4.586 -16.763 77 HE3 LYS 14 2HE LYS 14 -2.508 5.179 -16.707 78 HZ1 LYS 14 1HZ LYS 14 -1.840 3.720 -18.263 79 HZ2 LYS 14 2HZ LYS 14 -3.474 3.712 -18.699 80 HZ3 LYS 14 3HZ LYS 14 -2.855 2.480 -17.720 81 H GLU 15 H GLU 15 2.218 2.923 -15.183 82 HA GLU 15 HA GLU 15 2.496 2.394 -12.323 83 HB2 GLU 15 1HB GLU 15 4.682 1.444 -12.515 84 HB3 GLU 15 2HB GLU 15 3.618 0.535 -13.579 85 HG2 GLU 15 1HG GLU 15 4.499 2.286 -15.354 86 HG3 GLU 15 2HG GLU 15 5.861 2.356 -14.237 87 H GLU 16 H GLU 16 4.303 3.631 -11.354 88 HA GLU 16 HA GLU 16 5.046 6.007 -12.911 89 HB2 GLU 16 1HB GLU 16 3.573 5.903 -10.314 90 HB3 GLU 16 2HB GLU 16 4.711 7.215 -10.586 91 HG2 GLU 16 1HG GLU 16 2.285 6.542 -12.229 92 HG3 GLU 16 2HG GLU 16 2.526 7.953 -11.200 93 H ASN 17 H ASN 17 7.157 5.289 -13.108 94 HA ASN 17 HA ASN 17 9.345 5.059 -12.533 95 HB2 ASN 17 1HB ASN 17 8.385 6.457 -10.030 96 HB3 ASN 17 2HB ASN 17 10.079 6.123 -10.377 97 HD21 ASN 17 1HD2 ASN 17 7.901 8.482 -10.403 98 HD22 ASN 17 2HD2 ASN 17 8.490 9.452 -11.705 99 H GLY 18 H GLY 18 7.683 2.842 -12.158 100 HA2 GLY 18 1HA GLY 18 8.359 0.698 -11.377 101 HA3 GLY 18 2HA GLY 18 9.164 1.477 -10.023 102 H VAL 19 H VAL 19 6.810 3.192 -9.489 103 HA VAL 19 HA VAL 19 5.405 1.313 -7.801 104 HB VAL 19 HB VAL 19 5.038 4.294 -8.129 105 HG11 VAL 19 1HG1 VAL 19 3.258 4.174 -6.805 106 HG12 VAL 19 2HG1 VAL 19 3.322 2.417 -6.953 107 HG13 VAL 19 3HG1 VAL 19 4.148 3.221 -5.618 108 HG21 VAL 19 1HG2 VAL 19 6.455 4.613 -6.329 109 HG22 VAL 19 2HG2 VAL 19 6.264 2.957 -5.751 110 HG23 VAL 19 3HG2 VAL 19 7.241 3.284 -7.182 111 H TRP 20 H TRP 20 3.905 0.091 -8.773 112 HA TRP 20 HA TRP 20 2.427 0.849 -11.054 113 HB2 TRP 20 1HB TRP 20 1.752 -1.283 -9.015 114 HB3 TRP 20 2HB TRP 20 1.113 -1.168 -10.653 115 HD1 TRP 20 HD TRP 20 4.178 -2.289 -8.706 116 HE1 TRP 20 1HE TRP 20 5.763 -3.552 -10.293 117 HE3 TRP 20 3HE TRP 20 1.853 -1.282 -13.147 118 HZ2 TRP 20 2HZ TRP 20 5.997 -4.054 -13.061 119 HZ3 TRP 20 3HZ TRP 20 2.822 -2.191 -15.218 120 HH2 TRP 20 HH TRP 20 4.852 -3.547 -15.174 121 H VAL 21 H VAL 21 0.379 1.650 -11.307 122 HA VAL 21 HA VAL 21 -0.794 2.900 -8.930 123 HB VAL 21 HB VAL 21 -1.318 3.410 -11.861 124 HG11 VAL 21 1HG1 VAL 21 -2.832 5.078 -11.277 125 HG12 VAL 21 2HG1 VAL 21 -3.233 3.762 -10.172 126 HG13 VAL 21 3HG1 VAL 21 -2.277 5.132 -9.604 127 HG21 VAL 21 1HG2 VAL 21 -0.242 5.548 -10.170 128 HG22 VAL 21 2HG2 VAL 21 0.848 4.181 -10.400 129 HG23 VAL 21 3HG2 VAL 21 0.216 5.049 -11.799 130 H LEU 22 H LEU 22 -2.242 1.636 -7.947 131 HA LEU 22 HA LEU 22 -4.106 0.076 -9.603 132 HB2 LEU 22 1HB LEU 22 -3.301 -0.251 -6.717 133 HB3 LEU 22 2HB LEU 22 -4.532 -1.217 -7.528 134 HG LEU 22 HG LEU 22 -1.574 -1.179 -8.112 135 HD11 LEU 22 1HD1 LEU 22 -3.435 -3.230 -6.935 136 HD12 LEU 22 2HD1 LEU 22 -2.040 -2.469 -6.171 137 HD13 LEU 22 3HD1 LEU 22 -1.807 -3.598 -7.506 138 HD21 LEU 22 1HD2 LEU 22 -2.057 -2.898 -9.784 139 HD22 LEU 22 2HD2 LEU 22 -2.833 -1.367 -10.191 140 HD23 LEU 22 3HD2 LEU 22 -3.786 -2.685 -9.506 141 H ASN 23 H ASN 23 -6.325 -0.174 -8.659 142 HA ASN 23 HA ASN 23 -7.367 1.667 -6.802 143 HB2 ASN 23 1HB ASN 23 -8.768 2.856 -8.741 144 HB3 ASN 23 2HB ASN 23 -7.231 3.498 -8.169 145 HD21 ASN 23 1HD2 ASN 23 -8.455 1.129 -10.510 146 HD22 ASN 23 2HD2 ASN 23 -7.362 1.563 -11.776 147 H ASP 24 H ASP 24 -9.825 1.755 -6.942 148 HA ASP 24 HA ASP 24 -10.939 -0.719 -6.774 149 HB2 ASP 24 1HB ASP 24 -13.151 0.406 -7.241 150 HB3 ASP 24 2HB ASP 24 -12.174 1.167 -5.989 151 H GLY 25 H GLY 25 -10.101 0.970 -9.655 152 HA2 GLY 25 1HA GLY 25 -11.834 -0.507 -11.411 153 HA3 GLY 25 2HA GLY 25 -10.511 0.545 -11.891 154 H ASN 26 H ASN 26 -8.412 -0.701 -10.511 155 HA ASN 26 HA ASN 26 -8.365 -3.415 -11.634 156 HB2 ASN 26 1HB ASN 26 -5.831 -2.729 -12.123 157 HB3 ASN 26 2HB ASN 26 -7.115 -2.466 -13.300 158 HD21 ASN 26 1HD2 ASN 26 -4.718 -1.038 -11.388 159 HD22 ASN 26 2HD2 ASN 26 -5.074 0.614 -11.745 160 H PHE 27 H PHE 27 -8.794 -2.725 -8.949 161 HA PHE 27 HA PHE 27 -6.304 -2.955 -7.513 162 HB2 PHE 27 1HB PHE 27 -8.245 -1.674 -6.624 163 HB3 PHE 27 2HB PHE 27 -9.135 -3.185 -6.473 164 HD1 PHE 27 1HD PHE 27 -6.259 -1.261 -5.214 165 HD2 PHE 27 2HD PHE 27 -8.756 -4.663 -4.658 166 HE1 PHE 27 1HE PHE 27 -5.304 -1.592 -2.971 167 HE2 PHE 27 2HE PHE 27 -7.806 -4.998 -2.414 168 HZ PHE 27 HZ PHE 27 -6.078 -3.461 -1.567 169 H ASP 28 H ASP 28 -9.187 -5.012 -7.903 170 HA ASP 28 HA ASP 28 -7.993 -7.255 -6.605 171 HB2 ASP 28 1HB ASP 28 -10.318 -7.286 -6.497 172 HB3 ASP 28 2HB ASP 28 -10.503 -6.809 -8.182 173 H ASN 29 H ASN 29 -8.516 -6.339 -9.985 174 HA ASN 29 HA ASN 29 -7.722 -8.657 -11.255 175 HB2 ASN 29 1HB ASN 29 -7.534 -5.756 -11.994 176 HB3 ASN 29 2HB ASN 29 -6.819 -6.974 -13.046 177 HD21 ASN 29 1HD2 ASN 29 -8.083 -7.933 -14.479 178 HD22 ASN 29 2HD2 ASN 29 -9.810 -7.868 -14.500 179 H PHE 30 H PHE 30 -5.720 -6.055 -9.946 180 HA PHE 30 HA PHE 30 -3.255 -7.126 -10.898 181 HB2 PHE 30 1HB PHE 30 -3.694 -4.714 -10.243 182 HB3 PHE 30 2HB PHE 30 -3.609 -5.242 -8.565 183 HD1 PHE 30 2HD PHE 30 -1.505 -5.947 -7.587 184 HD2 PHE 30 1HD PHE 30 -1.723 -4.608 -11.622 185 HE1 PHE 30 2HE PHE 30 0.942 -5.698 -7.634 186 HE2 PHE 30 1HE PHE 30 0.724 -4.358 -11.675 187 HZ PHE 30 HZ PHE 30 2.060 -4.902 -9.679 188 H VAL 31 H VAL 31 -4.550 -6.871 -7.581 189 HA VAL 31 HA VAL 31 -2.644 -8.651 -6.473 190 HB VAL 31 HB VAL 31 -3.972 -8.603 -4.456 191 HG11 VAL 31 1HG1 VAL 31 -4.448 -5.959 -4.526 192 HG12 VAL 31 2HG1 VAL 31 -2.832 -6.652 -4.375 193 HG13 VAL 31 3HG1 VAL 31 -3.420 -6.118 -5.950 194 HG21 VAL 31 1HG2 VAL 31 -6.188 -8.788 -4.807 195 HG22 VAL 31 2HG2 VAL 31 -6.143 -7.025 -4.812 196 HG23 VAL 31 3HG2 VAL 31 -6.126 -7.912 -6.337 197 H ALA 32 H ALA 32 -5.107 -9.287 -8.557 198 HA ALA 32 HA ALA 32 -6.359 -11.565 -7.508 199 HB1 ALA 32 1HB ALA 32 -7.498 -11.380 -9.401 200 HB2 ALA 32 2HB ALA 32 -6.362 -10.149 -9.954 201 HB3 ALA 32 3HB ALA 32 -6.073 -11.848 -10.329 202 H ASP 33 H ASP 33 -3.505 -11.288 -9.617 203 HA ASP 33 HA ASP 33 -2.866 -14.093 -8.993 204 HB2 ASP 33 1HB ASP 33 -1.520 -14.112 -11.027 205 HB3 ASP 33 2HB ASP 33 -3.163 -13.594 -11.393 206 H LYS 34 H LYS 34 -2.293 -12.271 -7.034 207 HA LYS 34 HA LYS 34 0.627 -12.372 -7.013 208 HB2 LYS 34 1HB LYS 34 -0.966 -9.885 -6.365 209 HB3 LYS 34 2HB LYS 34 0.760 -10.077 -6.089 210 HG2 LYS 34 1HG LYS 34 0.899 -10.562 -8.608 211 HG3 LYS 34 2HG LYS 34 -0.716 -9.853 -8.683 212 HD2 LYS 34 1HD LYS 34 0.051 -7.764 -7.919 213 HD3 LYS 34 2HD LYS 34 1.582 -8.440 -7.357 214 HE2 LYS 34 1HE LYS 34 1.959 -7.203 -9.389 215 HE3 LYS 34 2HE LYS 34 2.184 -8.922 -9.707 216 HZ1 LYS 34 1HZ LYS 34 0.596 -7.227 -11.126 217 HZ2 LYS 34 2HZ LYS 34 -0.509 -8.064 -10.157 218 HZ3 LYS 34 3HZ LYS 34 0.535 -8.917 -11.179 219 H ASP 35 H ASP 35 1.069 -13.603 -5.312 220 HA ASP 35 HA ASP 35 -0.607 -14.223 -3.205 221 HB2 ASP 35 1HB ASP 35 1.718 -15.209 -3.951 222 HB3 ASP 35 2HB ASP 35 2.345 -14.105 -2.730 223 H THR 36 H THR 36 1.897 -11.712 -3.354 224 HA THR 36 HA THR 36 0.543 -10.333 -1.146 225 HB THR 36 HB THR 36 3.547 -10.650 -1.300 226 HG1 THR 36 1HG THR 36 3.242 -12.411 -0.183 227 HG21 THR 36 1HG2 THR 36 3.230 -9.765 1.129 228 HG22 THR 36 2HG2 THR 36 1.689 -9.162 0.517 229 HG23 THR 36 3HG2 THR 36 3.200 -8.628 -0.218 230 H VAL 37 H VAL 37 0.261 -8.219 -1.502 231 HA VAL 37 HA VAL 37 1.957 -6.878 -3.493 232 HB VAL 37 HB VAL 37 -1.055 -6.678 -3.359 233 HG11 VAL 37 1HG1 VAL 37 -0.924 -4.742 -4.438 234 HG12 VAL 37 2HG1 VAL 37 0.824 -4.764 -4.196 235 HG13 VAL 37 3HG1 VAL 37 0.127 -5.451 -5.664 236 HG21 VAL 37 1HG2 VAL 37 0.357 -7.473 -5.833 237 HG22 VAL 37 2HG2 VAL 37 0.316 -8.660 -4.529 238 HG23 VAL 37 3HG2 VAL 37 -1.190 -8.017 -5.184 239 H LEU 38 H LEU 38 2.655 -4.917 -2.894 240 HA LEU 38 HA LEU 38 1.830 -3.901 -0.301 241 HB2 LEU 38 1HB LEU 38 4.182 -3.987 -0.696 242 HB3 LEU 38 2HB LEU 38 4.014 -3.113 -2.217 243 HG LEU 38 HG LEU 38 3.344 -1.100 -0.942 244 HD11 LEU 38 1HD1 LEU 38 2.460 -1.727 1.071 245 HD12 LEU 38 2HD1 LEU 38 4.098 -1.301 1.568 246 HD13 LEU 38 3HD1 LEU 38 3.661 -2.993 1.332 247 HD21 LEU 38 1HD2 LEU 38 5.744 -1.739 -1.592 248 HD22 LEU 38 2HD2 LEU 38 5.965 -2.100 0.121 249 HD23 LEU 38 3HD2 LEU 38 5.521 -0.470 -0.388 250 H LEU 39 H LEU 39 0.419 -2.308 -0.022 251 HA LEU 39 HA LEU 39 -0.182 -0.552 -2.312 252 HB2 LEU 39 1HB LEU 39 -2.098 -1.355 -0.132 253 HB3 LEU 39 2HB LEU 39 -2.464 -0.433 -1.589 254 HG LEU 39 HG LEU 39 -1.482 -3.266 -1.738 255 HD11 LEU 39 1HD1 LEU 39 -4.146 -3.497 -2.135 256 HD12 LEU 39 2HD1 LEU 39 -4.107 -2.284 -0.856 257 HD13 LEU 39 3HD1 LEU 39 -3.334 -3.850 -0.609 258 HD21 LEU 39 1HD2 LEU 39 -2.952 -3.088 -3.840 259 HD22 LEU 39 2HD2 LEU 39 -1.394 -2.262 -3.838 260 HD23 LEU 39 3HD2 LEU 39 -2.878 -1.347 -3.569 261 H GLU 40 H GLU 40 -0.298 1.619 -1.962 262 HA GLU 40 HA GLU 40 0.022 2.581 0.797 263 HB2 GLU 40 1HB GLU 40 2.239 2.599 -0.177 264 HB3 GLU 40 2HB GLU 40 1.646 3.442 -1.602 265 HG2 GLU 40 1HG GLU 40 1.311 4.696 1.079 266 HG3 GLU 40 2HG GLU 40 2.888 4.734 0.292 267 H PHE 41 H PHE 41 -1.544 3.956 1.275 268 HA PHE 41 HA PHE 41 -3.051 5.239 -0.857 269 HB2 PHE 41 1HB PHE 41 -3.535 5.303 2.128 270 HB3 PHE 41 2HB PHE 41 -4.655 5.822 0.873 271 HD1 PHE 41 2HD PHE 41 -2.848 2.849 2.162 272 HD2 PHE 41 1HD PHE 41 -6.172 4.322 -0.050 273 HE1 PHE 41 2HE PHE 41 -3.790 0.578 2.072 274 HE2 PHE 41 1HE PHE 41 -7.120 2.054 -0.143 275 HZ PHE 41 HZ PHE 41 -5.929 0.178 0.918 276 H TYR 42 H TYR 42 -3.247 7.433 -1.150 277 HA TYR 42 HA TYR 42 -1.822 9.252 0.617 278 HB2 TYR 42 1HB TYR 42 -0.360 10.139 -1.009 279 HB3 TYR 42 2HB TYR 42 -0.218 8.393 -1.182 280 HD1 TYR 42 2HD TYR 42 -1.914 11.370 -2.628 281 HD2 TYR 42 1HD TYR 42 -0.596 7.373 -3.254 282 HE1 TYR 42 2HE TYR 42 -2.466 11.567 -5.017 283 HE2 TYR 42 1HE TYR 42 -1.144 7.560 -5.644 284 HH TYR 42 HH TYR 42 -1.775 10.497 -7.160 285 H ALA 43 H ALA 43 -2.101 11.573 -0.189 286 HA ALA 43 HA ALA 43 -4.712 11.886 -1.514 287 HB1 ALA 43 1HB ALA 43 -4.629 14.012 0.200 288 HB2 ALA 43 2HB ALA 43 -5.508 12.509 0.483 289 HB3 ALA 43 3HB ALA 43 -3.896 12.729 1.163 290 HA PRO 44 HA PRO 44 -2.558 14.710 -4.131 291 HB2 PRO 44 1HB PRO 44 -4.709 16.004 -5.165 292 HB3 PRO 44 2HB PRO 44 -4.257 14.362 -5.638 293 HG2 PRO 44 1HG PRO 44 -6.345 15.267 -3.692 294 HG3 PRO 44 2HG PRO 44 -6.439 13.993 -4.922 295 HD2 PRO 44 1HD PRO 44 -6.006 13.460 -2.302 296 HD3 PRO 44 2HD PRO 44 -5.324 12.464 -3.604 297 H TRP 45 H TRP 45 -4.902 15.811 -1.764 298 HA TRP 45 HA TRP 45 -3.967 18.561 -1.945 299 HB2 TRP 45 1HB TRP 45 -5.659 18.718 0.082 300 HB3 TRP 45 2HB TRP 45 -6.238 18.623 -1.579 301 HD1 TRP 45 HD TRP 45 -7.787 16.633 -2.181 302 HE1 TRP 45 1HE TRP 45 -8.680 14.588 -0.900 303 HE3 TRP 45 3HE TRP 45 -4.885 16.972 2.015 304 HZ2 TRP 45 2HZ TRP 45 -8.217 13.290 1.564 305 HZ3 TRP 45 3HZ TRP 45 -5.173 15.289 3.786 306 HH2 TRP 45 HH TRP 45 -6.805 13.487 3.564 307 H CYS 46 H CYS 46 -2.526 16.034 -0.776 308 HA CYS 46 HA CYS 46 -1.782 17.247 1.800 309 HB2 CYS 46 1HB CYS 46 -2.693 14.876 1.767 310 HB3 CYS 46 2HB CYS 46 -1.217 14.413 0.928 311 HG CYS 46 HG CYS 46 -0.118 13.791 3.167 312 H GLY 47 H GLY 47 0.416 17.447 2.356 313 HA2 GLY 47 1HA GLY 47 2.152 17.793 0.034 314 HA3 GLY 47 2HA GLY 47 2.447 18.406 1.655 315 H HIS 48 H HIS 48 2.048 15.965 3.056 316 HA HIS 48 HA HIS 48 4.548 14.918 3.228 317 HB2 HIS 48 1HB HIS 48 1.872 13.622 3.705 318 HB3 HIS 48 2HB HIS 48 3.379 12.771 4.031 319 HD1 HIS 48 1HD HIS 48 5.007 14.050 5.803 320 HD2 HIS 48 2HD HIS 48 1.012 15.190 5.748 321 HE1 HIS 48 1HE HIS 48 4.619 15.246 7.981 322 HE2 HIS 48 2HE HIS 48 2.174 15.852 7.962 323 H CYS 49 H CYS 49 1.962 13.780 1.086 324 HA CYS 49 HA CYS 49 3.242 11.560 0.010 325 HB2 CYS 49 1HB CYS 49 1.729 11.820 -1.912 326 HB3 CYS 49 2HB CYS 49 0.879 12.047 -0.388 327 HG CYS 49 HG CYS 49 1.532 14.291 -2.831 328 H LYS 50 H LYS 50 3.576 14.964 -0.760 329 HA LYS 50 HA LYS 50 5.013 14.672 -3.173 330 HB2 LYS 50 1HB LYS 50 5.171 16.939 -1.178 331 HB3 LYS 50 2HB LYS 50 5.651 17.002 -2.869 332 HG2 LYS 50 1HG LYS 50 3.462 16.981 -3.626 333 HG3 LYS 50 2HG LYS 50 2.843 16.301 -2.119 334 HD2 LYS 50 1HD LYS 50 2.184 18.470 -1.849 335 HD3 LYS 50 2HD LYS 50 3.796 18.569 -1.134 336 HE2 LYS 50 1HE LYS 50 3.410 19.075 -4.057 337 HE3 LYS 50 2HE LYS 50 3.045 20.340 -2.885 338 HZ1 LYS 50 1HZ LYS 50 5.344 20.394 -3.799 339 HZ2 LYS 50 2HZ LYS 50 5.651 18.930 -3.010 340 HZ3 LYS 50 3HZ LYS 50 5.273 20.312 -2.111 341 H GLN 51 H GLN 51 6.178 15.394 0.122 342 HA GLN 51 HA GLN 51 8.915 15.183 -0.524 343 HB2 GLN 51 1HB GLN 51 9.324 15.239 1.838 344 HB3 GLN 51 2HB GLN 51 7.983 16.326 1.496 345 HG2 GLN 51 1HG GLN 51 6.401 14.673 2.277 346 HG3 GLN 51 2HG GLN 51 7.706 13.517 2.540 347 HE21 GLN 51 1HE2 GLN 51 7.715 13.253 4.677 348 HE22 GLN 51 2HE2 GLN 51 7.880 14.522 5.837 349 H PHE 52 H PHE 52 6.514 12.834 0.455 350 HA PHE 52 HA PHE 52 8.501 10.741 0.790 351 HB2 PHE 52 1HB PHE 52 6.417 10.965 2.228 352 HB3 PHE 52 2HB PHE 52 5.500 10.425 0.826 353 HD1 PHE 52 1HD PHE 52 8.361 9.423 2.985 354 HD2 PHE 52 2HD PHE 52 5.141 8.168 0.500 355 HE1 PHE 52 1HE PHE 52 8.795 7.083 3.610 356 HE2 PHE 52 2HE PHE 52 5.569 5.827 1.122 357 HZ PHE 52 HZ PHE 52 7.397 5.282 2.679 358 H ALA 53 H ALA 53 6.647 12.076 -1.709 359 HA ALA 53 HA ALA 53 5.922 9.985 -3.330 360 HB1 ALA 53 1HB ALA 53 5.456 11.614 -4.768 361 HB2 ALA 53 2HB ALA 53 6.171 12.742 -3.615 362 HB3 ALA 53 3HB ALA 53 7.156 12.061 -4.910 363 HA PRO 54 HA PRO 54 10.352 9.858 -5.265 364 HB2 PRO 54 1HB PRO 54 12.312 11.216 -3.968 365 HB3 PRO 54 2HB PRO 54 11.315 11.944 -5.233 366 HG2 PRO 54 1HG PRO 54 11.057 12.162 -2.259 367 HG3 PRO 54 2HG PRO 54 10.905 13.428 -3.491 368 HD2 PRO 54 1HD PRO 54 8.756 12.248 -2.342 369 HD3 PRO 54 2HD PRO 54 8.743 12.830 -4.019 370 H GLU 55 H GLU 55 9.951 9.935 -1.789 371 HA GLU 55 HA GLU 55 12.119 8.203 -1.160 372 HB2 GLU 55 1HB GLU 55 10.690 9.814 0.357 373 HB3 GLU 55 2HB GLU 55 9.688 8.385 0.571 374 HG2 GLU 55 1HG GLU 55 11.447 7.175 1.565 375 HG3 GLU 55 2HG GLU 55 12.648 8.363 1.062 376 H TYR 56 H TYR 56 8.692 7.710 -1.831 377 HA TYR 56 HA TYR 56 8.615 4.964 -1.153 378 HB2 TYR 56 1HB TYR 56 6.665 6.635 -1.539 379 HB3 TYR 56 2HB TYR 56 6.831 6.195 -3.235 380 HD1 TYR 56 1HD TYR 56 7.071 4.121 -0.141 381 HD2 TYR 56 2HD TYR 56 4.998 4.882 -3.777 382 HE1 TYR 56 1HE TYR 56 5.676 2.132 0.245 383 HE2 TYR 56 2HE TYR 56 3.596 2.897 -3.401 384 HH TYR 56 HH TYR 56 3.083 1.242 -2.011 385 H GLU 57 H GLU 57 8.983 6.636 -4.270 386 HA GLU 57 HA GLU 57 9.035 4.552 -6.020 387 HB2 GLU 57 1HB GLU 57 10.943 6.898 -6.031 388 HB3 GLU 57 2HB GLU 57 10.567 5.877 -7.411 389 HG2 GLU 57 1HG GLU 57 8.499 6.797 -7.711 390 HG3 GLU 57 2HG GLU 57 8.332 7.248 -6.015 391 H LYS 58 H LYS 58 11.732 5.653 -3.997 392 HA LYS 58 HA LYS 58 13.750 4.022 -4.918 393 HB2 LYS 58 1HB LYS 58 13.123 5.028 -2.151 394 HB3 LYS 58 2HB LYS 58 14.562 4.073 -2.481 395 HG2 LYS 58 1HG LYS 58 15.554 5.737 -3.711 396 HG3 LYS 58 2HG LYS 58 14.014 6.488 -4.137 397 HD2 LYS 58 1HD LYS 58 13.775 7.423 -1.964 398 HD3 LYS 58 2HD LYS 58 15.112 6.459 -1.332 399 HE2 LYS 58 1HE LYS 58 15.873 8.713 -1.669 400 HE3 LYS 58 2HE LYS 58 16.641 7.670 -2.865 401 HZ1 LYS 58 1HZ LYS 58 15.849 9.748 -3.833 402 HZ2 LYS 58 2HZ LYS 58 14.267 9.383 -3.362 403 HZ3 LYS 58 3HZ LYS 58 15.052 8.417 -4.507 404 H ILE 59 H ILE 59 11.452 3.268 -2.299 405 HA ILE 59 HA ILE 59 12.316 0.685 -1.757 406 HB ILE 59 HB ILE 59 9.484 1.724 -1.615 407 HG12 ILE 59 1HG1 ILE 59 11.341 1.492 0.724 408 HG13 ILE 59 2HG1 ILE 59 11.467 2.887 -0.341 409 HG21 ILE 59 1HG2 ILE 59 9.427 -0.648 -1.483 410 HG22 ILE 59 2HG2 ILE 59 10.810 -0.684 -0.392 411 HG23 ILE 59 3HG2 ILE 59 9.266 -0.038 0.163 412 HD11 ILE 59 1HD1 ILE 59 10.043 3.660 1.277 413 HD12 ILE 59 2HD1 ILE 59 8.901 3.069 0.069 414 HD13 ILE 59 3HD1 ILE 59 9.262 2.094 1.493 415 H ALA 60 H ALA 60 10.008 1.831 -4.177 416 HA ALA 60 HA ALA 60 8.813 -0.388 -5.111 417 HB1 ALA 60 1HB ALA 60 8.435 0.721 -7.067 418 HB2 ALA 60 2HB ALA 60 8.986 2.070 -6.072 419 HB3 ALA 60 3HB ALA 60 10.099 1.291 -7.196 420 H SER 61 H SER 61 12.005 0.648 -6.334 421 HA SER 61 HA SER 61 12.522 -1.710 -7.767 422 HB2 SER 61 1HB SER 61 15.017 -0.839 -7.295 423 HB3 SER 61 2HB SER 61 13.950 -0.066 -8.466 424 HG SER 61 HG SER 61 15.073 1.055 -6.396 425 H THR 62 H THR 62 13.585 -0.691 -4.532 426 HA THR 62 HA THR 62 15.211 -2.760 -3.811 427 HB THR 62 HB THR 62 13.127 -1.516 -2.008 428 HG1 THR 62 1HG THR 62 15.660 -0.654 -2.914 429 HG21 THR 62 1HG2 THR 62 15.789 -2.774 -1.334 430 HG22 THR 62 2HG2 THR 62 14.219 -3.545 -1.102 431 HG23 THR 62 3HG2 THR 62 14.630 -2.089 -0.196 432 H LEU 63 H LEU 63 11.711 -2.694 -3.102 433 HA LEU 63 HA LEU 63 11.620 -5.442 -2.388 434 HB2 LEU 63 1HB LEU 63 9.481 -3.440 -3.072 435 HB3 LEU 63 2HB LEU 63 9.123 -5.099 -2.597 436 HG LEU 63 HG LEU 63 10.655 -3.178 -0.854 437 HD11 LEU 63 1HD1 LEU 63 7.899 -3.812 -0.112 438 HD12 LEU 63 2HD1 LEU 63 8.046 -2.823 -1.564 439 HD13 LEU 63 3HD1 LEU 63 8.771 -2.280 -0.051 440 HD21 LEU 63 1HD2 LEU 63 10.206 -4.743 0.894 441 HD22 LEU 63 2HD2 LEU 63 10.899 -5.633 -0.462 442 HD23 LEU 63 3HD2 LEU 63 9.163 -5.701 -0.157 443 H LYS 64 H LYS 64 11.107 -3.678 -5.367 444 HA LYS 64 HA LYS 64 9.740 -5.502 -6.908 445 HB2 LYS 64 1HB LYS 64 10.260 -3.329 -7.783 446 HB3 LYS 64 2HB LYS 64 11.988 -3.638 -7.674 447 HG2 LYS 64 1HG LYS 64 11.469 -5.586 -9.318 448 HG3 LYS 64 2HG LYS 64 10.003 -4.660 -9.651 449 HD2 LYS 64 1HD LYS 64 12.675 -3.313 -9.693 450 HD3 LYS 64 2HD LYS 64 12.137 -4.257 -11.085 451 HE2 LYS 64 1HE LYS 64 11.309 -2.217 -11.676 452 HE3 LYS 64 2HE LYS 64 9.940 -2.822 -10.745 453 HZ1 LYS 64 1HZ LYS 64 12.087 -1.124 -9.600 454 HZ2 LYS 64 2HZ LYS 64 10.629 -1.565 -8.864 455 HZ3 LYS 64 3HZ LYS 64 10.623 -0.515 -10.190 456 H ASP 65 H ASP 65 13.298 -5.214 -6.820 457 HA ASP 65 HA ASP 65 13.563 -7.869 -7.954 458 HB2 ASP 65 1HB ASP 65 15.025 -5.783 -8.476 459 HB3 ASP 65 2HB ASP 65 15.860 -6.196 -6.981 460 H ASN 66 H ASN 66 12.411 -7.558 -5.277 461 HA ASN 66 HA ASN 66 14.464 -8.712 -3.546 462 HB2 ASN 66 1HB ASN 66 13.046 -6.890 -2.655 463 HB3 ASN 66 2HB ASN 66 11.623 -7.898 -2.895 464 HD21 ASN 66 1HD2 ASN 66 11.038 -9.254 -1.333 465 HD22 ASN 66 2HD2 ASN 66 11.967 -9.604 0.081 466 H ASP 67 H ASP 67 13.636 -10.523 -2.068 467 HA ASP 67 HA ASP 67 12.076 -12.449 -3.663 468 HB2 ASP 67 1HB ASP 67 14.402 -13.118 -3.709 469 HB3 ASP 67 2HB ASP 67 14.518 -12.970 -1.957 470 HA PRO 68 HA PRO 68 10.598 -13.709 -3.725 471 HB2 PRO 68 1HB PRO 68 7.915 -13.305 -3.622 472 HB3 PRO 68 2HB PRO 68 8.695 -14.748 -2.963 473 HG2 PRO 68 1HG PRO 68 7.761 -12.284 -1.543 474 HG3 PRO 68 2HG PRO 68 7.589 -13.983 -1.067 475 HD2 PRO 68 1HD PRO 68 9.486 -12.361 -0.018 476 HD3 PRO 68 2HD PRO 68 9.741 -14.102 -0.249 477 HA PRO 69 HA PRO 69 10.227 -9.924 -5.931 478 HB2 PRO 69 1HB PRO 69 8.602 -10.569 -8.009 479 HB3 PRO 69 2HB PRO 69 10.269 -11.141 -7.879 480 HG2 PRO 69 1HG PRO 69 7.722 -12.560 -7.203 481 HG3 PRO 69 2HG PRO 69 9.155 -13.175 -8.048 482 HD2 PRO 69 1HD PRO 69 8.676 -13.684 -5.432 483 HD3 PRO 69 2HD PRO 69 10.317 -13.521 -6.088 484 H ILE 70 H ILE 70 9.097 -8.706 -4.331 485 HA ILE 70 HA ILE 70 6.202 -8.692 -4.351 486 HB ILE 70 HB ILE 70 8.119 -6.887 -2.871 487 HG12 ILE 70 1HG1 ILE 70 6.538 -9.164 -1.698 488 HG13 ILE 70 2HG1 ILE 70 8.138 -9.422 -2.385 489 HG21 ILE 70 1HG2 ILE 70 6.087 -5.745 -2.932 490 HG22 ILE 70 2HG2 ILE 70 5.143 -7.227 -2.789 491 HG23 ILE 70 3HG2 ILE 70 6.033 -6.612 -1.397 492 HD11 ILE 70 1HD1 ILE 70 7.907 -7.232 -0.429 493 HD12 ILE 70 2HD1 ILE 70 7.704 -8.870 0.194 494 HD13 ILE 70 3HD1 ILE 70 9.183 -8.428 -0.659 495 H ALA 71 H ALA 71 4.910 -6.884 -4.877 496 HA ALA 71 HA ALA 71 6.198 -4.977 -6.722 497 HB1 ALA 71 1HB ALA 71 4.738 -5.509 -8.307 498 HB2 ALA 71 2HB ALA 71 4.176 -6.827 -7.279 499 HB3 ALA 71 3HB ALA 71 3.379 -5.256 -7.213 500 H VAL 72 H VAL 72 6.092 -2.918 -6.129 501 HA VAL 72 HA VAL 72 4.331 -2.147 -3.939 502 HB VAL 72 HB VAL 72 6.476 -0.540 -5.334 503 HG11 VAL 72 1HG1 VAL 72 4.411 0.358 -3.740 504 HG12 VAL 72 2HG1 VAL 72 5.765 0.210 -2.618 505 HG13 VAL 72 3HG1 VAL 72 5.921 1.208 -4.064 506 HG21 VAL 72 1HG2 VAL 72 7.362 -1.060 -2.796 507 HG22 VAL 72 2HG2 VAL 72 6.574 -2.575 -3.238 508 HG23 VAL 72 3HG2 VAL 72 7.864 -1.924 -4.249 509 H ALA 73 H ALA 73 2.596 -0.853 -4.128 510 HA ALA 73 HA ALA 73 2.173 0.640 -6.608 511 HB1 ALA 73 1HB ALA 73 0.695 -0.830 -7.378 512 HB2 ALA 73 2HB ALA 73 0.752 -1.763 -5.883 513 HB3 ALA 73 3HB ALA 73 -0.347 -0.392 -6.025 514 H LYS 74 H LYS 74 0.510 2.278 -6.433 515 HA LYS 74 HA LYS 74 -0.095 3.035 -3.651 516 HB2 LYS 74 1HB LYS 74 0.286 5.366 -4.207 517 HB3 LYS 74 2HB LYS 74 1.727 4.426 -4.571 518 HG2 LYS 74 1HG LYS 74 1.026 4.375 -6.951 519 HG3 LYS 74 2HG LYS 74 -0.309 5.453 -6.535 520 HD2 LYS 74 1HD LYS 74 1.344 7.098 -5.695 521 HD3 LYS 74 2HD LYS 74 2.639 6.032 -6.245 522 HE2 LYS 74 1HE LYS 74 1.612 6.171 -8.544 523 HE3 LYS 74 2HE LYS 74 0.572 7.448 -7.915 524 HZ1 LYS 74 1HZ LYS 74 2.244 8.921 -7.909 525 HZ2 LYS 74 2HZ LYS 74 2.962 7.875 -9.028 526 HZ3 LYS 74 3HZ LYS 74 3.399 7.796 -7.395 527 H ILE 75 H ILE 75 -2.049 4.140 -3.300 528 HA ILE 75 HA ILE 75 -3.890 4.304 -5.580 529 HB ILE 75 HB ILE 75 -4.567 3.014 -2.933 530 HG12 ILE 75 1HG1 ILE 75 -4.759 1.664 -5.601 531 HG13 ILE 75 2HG1 ILE 75 -3.196 1.768 -4.798 532 HG21 ILE 75 1HG2 ILE 75 -6.422 4.324 -3.831 533 HG22 ILE 75 2HG2 ILE 75 -6.284 3.474 -5.369 534 HG23 ILE 75 3HG2 ILE 75 -6.763 2.596 -3.917 535 HD11 ILE 75 1HD1 ILE 75 -3.917 0.464 -2.994 536 HD12 ILE 75 2HD1 ILE 75 -5.617 0.659 -3.424 537 HD13 ILE 75 3HD1 ILE 75 -4.561 -0.335 -4.428 538 H ASP 76 H ASP 76 -5.512 5.855 -5.400 539 HA ASP 76 HA ASP 76 -4.986 7.908 -3.384 540 HB2 ASP 76 1HB ASP 76 -6.718 9.149 -4.958 541 HB3 ASP 76 2HB ASP 76 -5.021 8.998 -5.409 542 H ALA 77 H ALA 77 -6.023 7.018 -1.591 543 HA ALA 77 HA ALA 77 -8.478 5.833 -1.398 544 HB1 ALA 77 1HB ALA 77 -7.996 7.771 0.744 545 HB2 ALA 77 2HB ALA 77 -8.192 6.019 0.817 546 HB3 ALA 77 3HB ALA 77 -6.628 6.714 0.396 547 H THR 78 H THR 78 -7.819 9.327 -1.296 548 HA THR 78 HA THR 78 -10.273 10.374 -0.810 549 HB THR 78 HB THR 78 -9.678 12.261 -2.354 550 HG1 THR 78 1HG THR 78 -7.801 10.366 -3.154 551 HG21 THR 78 1HG2 THR 78 -7.656 11.244 -0.367 552 HG22 THR 78 2HG2 THR 78 -8.917 12.453 -0.120 553 HG23 THR 78 3HG2 THR 78 -7.523 12.825 -1.134 554 H SER 79 H SER 79 -9.174 8.948 -3.840 555 HA SER 79 HA SER 79 -11.690 9.560 -5.160 556 HB2 SER 79 1HB SER 79 -10.651 8.434 -7.118 557 HB3 SER 79 2HB SER 79 -9.655 9.743 -6.482 558 HG SER 79 HG SER 79 -9.272 7.083 -5.632 559 H ALA 80 H ALA 80 -9.951 6.771 -3.885 560 HA ALA 80 HA ALA 80 -12.139 4.987 -4.625 561 HB1 ALA 80 1HB ALA 80 -10.259 3.555 -3.132 562 HB2 ALA 80 2HB ALA 80 -10.459 3.559 -4.884 563 HB3 ALA 80 3HB ALA 80 -9.325 4.674 -4.124 564 H SER 81 H SER 81 -13.843 5.139 -3.296 565 HA SER 81 HA SER 81 -13.519 5.662 -0.473 566 HB2 SER 81 1HB SER 81 -16.030 5.014 -2.036 567 HB3 SER 81 2HB SER 81 -15.961 5.660 -0.396 568 HG SER 81 HG SER 81 -16.261 7.160 -2.301 569 H MET 82 H MET 82 -14.662 2.974 -2.490 570 HA MET 82 HA MET 82 -15.379 1.207 -0.465 571 HB2 MET 82 1HB MET 82 -15.840 0.882 -2.887 572 HB3 MET 82 2HB MET 82 -14.143 0.493 -3.130 573 HG2 MET 82 1HG MET 82 -14.411 -1.403 -1.551 574 HG3 MET 82 2HG MET 82 -16.136 -1.048 -1.489 575 HE1 MET 82 1HE MET 82 -13.139 -1.824 -3.754 576 HE2 MET 82 2HE MET 82 -13.631 -3.396 -3.124 577 HE3 MET 82 3HE MET 82 -13.786 -3.049 -4.846 578 H LEU 83 H LEU 83 -12.316 1.148 -2.301 579 HA LEU 83 HA LEU 83 -10.994 -0.703 -0.715 580 HB2 LEU 83 1HB LEU 83 -9.875 1.617 -2.279 581 HB3 LEU 83 2HB LEU 83 -8.902 0.314 -1.599 582 HG LEU 83 HG LEU 83 -11.055 -0.079 -3.674 583 HD11 LEU 83 1HD1 LEU 83 -8.972 1.297 -4.323 584 HD12 LEU 83 2HD1 LEU 83 -9.444 -0.062 -5.342 585 HD13 LEU 83 3HD1 LEU 83 -8.113 -0.239 -4.199 586 HD21 LEU 83 1HD2 LEU 83 -9.586 -2.227 -3.932 587 HD22 LEU 83 2HD2 LEU 83 -10.820 -2.136 -2.675 588 HD23 LEU 83 3HD2 LEU 83 -9.125 -1.866 -2.268 589 H ALA 84 H ALA 84 -11.085 2.830 -0.422 590 HA ALA 84 HA ALA 84 -9.268 3.230 1.602 591 HB1 ALA 84 1HB ALA 84 -10.086 5.208 0.821 592 HB2 ALA 84 2HB ALA 84 -11.750 4.626 0.761 593 HB3 ALA 84 3HB ALA 84 -11.029 5.075 2.306 594 H SER 85 H SER 85 -12.719 2.431 1.953 595 HA SER 85 HA SER 85 -12.700 2.355 4.777 596 HB2 SER 85 1HB SER 85 -14.761 2.577 3.407 597 HB3 SER 85 2HB SER 85 -14.568 0.904 2.886 598 HG SER 85 HG SER 85 -15.216 1.912 5.432 599 H LYS 86 H LYS 86 -12.166 -0.102 2.309 600 HA LYS 86 HA LYS 86 -12.269 -2.433 3.711 601 HB2 LYS 86 1HB LYS 86 -11.522 -1.908 1.248 602 HB3 LYS 86 2HB LYS 86 -9.904 -1.966 1.935 603 HG2 LYS 86 1HG LYS 86 -10.240 -4.231 2.667 604 HG3 LYS 86 2HG LYS 86 -11.927 -4.185 2.148 605 HD2 LYS 86 1HD LYS 86 -11.307 -4.060 -0.142 606 HD3 LYS 86 2HD LYS 86 -9.616 -3.758 0.265 607 HE2 LYS 86 1HE LYS 86 -9.702 -6.016 -0.381 608 HE3 LYS 86 2HE LYS 86 -9.638 -6.041 1.381 609 HZ1 LYS 86 1HZ LYS 86 -11.287 -7.575 0.751 610 HZ2 LYS 86 2HZ LYS 86 -11.991 -6.507 -0.355 611 HZ3 LYS 86 3HZ LYS 86 -12.129 -6.216 1.305 612 H PHE 87 H PHE 87 -9.347 -0.404 3.426 613 HA PHE 87 HA PHE 87 -8.199 -1.800 5.726 614 HB2 PHE 87 1HB PHE 87 -6.872 0.262 3.961 615 HB3 PHE 87 2HB PHE 87 -6.089 -0.845 5.085 616 HD1 PHE 87 2HD PHE 87 -7.778 -0.551 1.841 617 HD2 PHE 87 1HD PHE 87 -5.658 -3.119 4.492 618 HE1 PHE 87 2HE PHE 87 -7.495 -2.186 0.025 619 HE2 PHE 87 1HE PHE 87 -5.371 -4.758 2.679 620 HZ PHE 87 HZ PHE 87 -6.291 -4.294 0.443 621 H ASP 88 H ASP 88 -10.401 0.116 5.992 622 HA ASP 88 HA ASP 88 -10.952 2.106 7.039 623 HB2 ASP 88 1HB ASP 88 -10.808 0.467 8.841 624 HB3 ASP 88 2HB ASP 88 -9.082 0.776 9.010 625 H VAL 89 H VAL 89 -9.053 2.747 5.190 626 HA VAL 89 HA VAL 89 -6.755 4.021 6.234 627 HB VAL 89 HB VAL 89 -8.222 4.550 3.646 628 HG11 VAL 89 1HG1 VAL 89 -6.051 5.494 2.899 629 HG12 VAL 89 2HG1 VAL 89 -6.821 6.432 4.180 630 HG13 VAL 89 3HG1 VAL 89 -5.466 5.367 4.557 631 HG21 VAL 89 1HG2 VAL 89 -6.968 2.911 2.650 632 HG22 VAL 89 2HG2 VAL 89 -5.665 3.034 3.832 633 HG23 VAL 89 3HG2 VAL 89 -7.168 2.217 4.259 634 H SER 90 H SER 90 -7.158 5.437 7.875 635 HA SER 90 HA SER 90 -8.886 7.740 7.242 636 HB2 SER 90 1HB SER 90 -8.189 6.686 9.992 637 HB3 SER 90 2HB SER 90 -9.316 7.989 9.619 638 HG SER 90 HG SER 90 -10.183 5.768 10.003 639 H GLY 91 H GLY 91 -6.231 7.653 6.370 640 HA2 GLY 91 1HA GLY 91 -5.251 10.107 7.342 641 HA3 GLY 91 2HA GLY 91 -4.354 8.802 8.104 642 H TYR 92 H TYR 92 -2.954 10.536 6.609 643 HA TYR 92 HA TYR 92 -1.866 8.841 4.571 644 HB2 TYR 92 1HB TYR 92 -2.760 11.515 3.552 645 HB3 TYR 92 2HB TYR 92 -2.346 10.063 2.648 646 HD1 TYR 92 2HD TYR 92 -4.965 11.746 4.599 647 HD2 TYR 92 1HD TYR 92 -3.982 8.338 2.249 648 HE1 TYR 92 2HE TYR 92 -7.351 11.171 4.446 649 HE2 TYR 92 1HE TYR 92 -6.366 7.754 2.089 650 HH TYR 92 HH TYR 92 -8.449 8.163 3.325 651 HA PRO 93 HA PRO 93 -0.353 8.978 2.971 652 HB2 PRO 93 1HB PRO 93 2.127 7.911 3.261 653 HB3 PRO 93 2HB PRO 93 1.815 9.374 2.319 654 HG2 PRO 93 1HG PRO 93 2.844 9.106 5.117 655 HG3 PRO 93 2HG PRO 93 3.390 10.188 3.823 656 HD2 PRO 93 1HD PRO 93 1.767 11.016 5.826 657 HD3 PRO 93 2HD PRO 93 1.680 11.691 4.186 658 H THR 94 H THR 94 -0.327 6.640 2.999 659 HA THR 94 HA THR 94 -0.050 5.353 5.601 660 HB THR 94 HB THR 94 -2.631 5.299 4.026 661 HG1 THR 94 1HG THR 94 -2.709 7.055 5.323 662 HG21 THR 94 1HG2 THR 94 -1.614 3.610 6.285 663 HG22 THR 94 2HG2 THR 94 -2.452 3.116 4.813 664 HG23 THR 94 3HG2 THR 94 -3.340 3.922 6.106 665 H ILE 95 H ILE 95 0.599 3.264 5.468 666 HA ILE 95 HA ILE 95 0.713 2.066 2.777 667 HB ILE 95 HB ILE 95 2.716 1.726 5.012 668 HG12 ILE 95 1HG1 ILE 95 3.241 2.983 2.331 669 HG13 ILE 95 2HG1 ILE 95 2.623 3.942 3.671 670 HG21 ILE 95 1HG2 ILE 95 2.405 0.451 2.326 671 HG22 ILE 95 2HG2 ILE 95 4.007 0.652 3.034 672 HG23 ILE 95 3HG2 ILE 95 2.781 -0.291 3.881 673 HD11 ILE 95 1HD1 ILE 95 5.152 2.320 3.783 674 HD12 ILE 95 2HD1 ILE 95 5.082 4.040 3.395 675 HD13 ILE 95 3HD1 ILE 95 4.563 3.472 4.982 676 H LYS 96 H LYS 96 0.258 -0.105 2.565 677 HA LYS 96 HA LYS 96 -0.384 -1.661 4.944 678 HB2 LYS 96 1HB LYS 96 -2.384 -1.167 2.730 679 HB3 LYS 96 2HB LYS 96 -2.595 -2.308 4.052 680 HG2 LYS 96 1HG LYS 96 -2.050 0.545 4.698 681 HG3 LYS 96 2HG LYS 96 -3.660 0.085 4.139 682 HD2 LYS 96 1HD LYS 96 -3.692 -1.664 5.927 683 HD3 LYS 96 2HD LYS 96 -2.180 -0.988 6.538 684 HE2 LYS 96 1HE LYS 96 -4.572 0.764 6.129 685 HE3 LYS 96 2HE LYS 96 -4.433 -0.230 7.579 686 HZ1 LYS 96 1HZ LYS 96 -3.507 2.185 7.544 687 HZ2 LYS 96 2HZ LYS 96 -2.171 1.468 6.796 688 HZ3 LYS 96 3HZ LYS 96 -2.650 0.961 8.337 689 H ILE 97 H ILE 97 -0.975 -3.958 4.316 690 HA ILE 97 HA ILE 97 0.377 -4.763 1.831 691 HB ILE 97 HB ILE 97 0.707 -6.139 4.500 692 HG12 ILE 97 1HG1 ILE 97 2.926 -4.846 2.952 693 HG13 ILE 97 2HG1 ILE 97 1.904 -3.864 3.995 694 HG21 ILE 97 1HG2 ILE 97 1.397 -7.913 3.363 695 HG22 ILE 97 2HG2 ILE 97 1.004 -7.093 1.853 696 HG23 ILE 97 3HG2 ILE 97 2.617 -6.935 2.548 697 HD11 ILE 97 1HD1 ILE 97 3.867 -4.498 5.199 698 HD12 ILE 97 2HD1 ILE 97 2.488 -5.364 5.879 699 HD13 ILE 97 3HD1 ILE 97 3.614 -6.199 4.809 700 H LEU 98 H LEU 98 -0.633 -6.305 0.675 701 HA LEU 98 HA LEU 98 -3.078 -7.461 1.831 702 HB2 LEU 98 1HB LEU 98 -3.168 -5.969 -0.235 703 HB3 LEU 98 2HB LEU 98 -2.406 -7.306 -1.093 704 HG LEU 98 HG LEU 98 -4.390 -8.713 -0.319 705 HD11 LEU 98 1HD1 LEU 98 -6.206 -7.775 0.650 706 HD12 LEU 98 2HD1 LEU 98 -5.962 -6.217 -0.138 707 HD13 LEU 98 3HD1 LEU 98 -4.995 -6.653 1.271 708 HD21 LEU 98 1HD2 LEU 98 -5.640 -8.139 -2.226 709 HD22 LEU 98 2HD2 LEU 98 -3.973 -7.720 -2.622 710 HD23 LEU 98 3HD2 LEU 98 -5.116 -6.456 -2.166 711 H LYS 99 H LYS 99 -2.875 -9.496 2.464 712 HA LYS 99 HA LYS 99 -1.008 -11.252 1.017 713 HB2 LYS 99 1HB LYS 99 -2.058 -11.369 3.846 714 HB3 LYS 99 2HB LYS 99 -1.147 -12.676 3.100 715 HG2 LYS 99 1HG LYS 99 -0.050 -9.891 3.239 716 HG3 LYS 99 2HG LYS 99 0.113 -11.022 4.585 717 HD2 LYS 99 1HD LYS 99 0.959 -11.724 1.786 718 HD3 LYS 99 2HD LYS 99 2.041 -10.914 2.922 719 HE2 LYS 99 1HE LYS 99 2.201 -12.750 4.289 720 HE3 LYS 99 2HE LYS 99 0.627 -13.381 3.806 721 HZ1 LYS 99 1HZ LYS 99 2.860 -14.460 2.976 722 HZ2 LYS 99 2HZ LYS 99 2.733 -13.272 1.780 723 HZ3 LYS 99 3HZ LYS 99 1.490 -14.401 1.985 724 H LYS 100 H LYS 100 -2.120 -12.299 -0.520 725 HA LYS 100 HA LYS 100 -3.762 -13.490 -1.571 726 HB2 LYS 100 1HB LYS 100 -3.913 -14.798 1.152 727 HB3 LYS 100 2HB LYS 100 -4.504 -15.489 -0.354 728 HG2 LYS 100 1HG LYS 100 -2.087 -15.256 -1.179 729 HG3 LYS 100 2HG LYS 100 -1.677 -15.040 0.524 730 HD2 LYS 100 1HD LYS 100 -1.410 -17.335 0.159 731 HD3 LYS 100 2HD LYS 100 -3.000 -17.203 0.916 732 HE2 LYS 100 1HE LYS 100 -3.993 -17.216 -1.385 733 HE3 LYS 100 2HE LYS 100 -2.385 -17.577 -2.011 734 HZ1 LYS 100 1HZ LYS 100 -3.256 -19.663 -1.790 735 HZ2 LYS 100 2HZ LYS 100 -4.188 -19.271 -0.435 736 HZ3 LYS 100 3HZ LYS 100 -2.519 -19.499 -0.276 737 H GLY 101 H GLY 101 -4.589 -11.037 -0.075 738 HA2 GLY 101 1HA GLY 101 -6.788 -10.097 -0.363 739 HA3 GLY 101 2HA GLY 101 -7.464 -11.676 0.011 740 H GLN 102 H GLN 102 -4.873 -10.874 2.026 741 HA GLN 102 HA GLN 102 -6.752 -10.191 4.180 742 HB2 GLN 102 1HB GLN 102 -5.538 -12.221 4.629 743 HB3 GLN 102 2HB GLN 102 -4.005 -11.442 4.260 744 HG2 GLN 102 1HG GLN 102 -4.010 -11.488 6.562 745 HG3 GLN 102 2HG GLN 102 -4.595 -9.863 6.209 746 HE21 GLN 102 1HE2 GLN 102 -6.301 -9.247 7.310 747 HE22 GLN 102 2HE2 GLN 102 -7.495 -10.280 8.011 748 H ALA 103 H ALA 103 -6.580 -8.320 5.274 749 HA ALA 103 HA ALA 103 -4.665 -6.361 4.295 750 HB1 ALA 103 1HB ALA 103 -6.978 -5.674 4.470 751 HB2 ALA 103 2HB ALA 103 -6.995 -6.075 6.188 752 HB3 ALA 103 3HB ALA 103 -5.991 -4.748 5.602 753 H VAL 104 H VAL 104 -2.913 -5.691 5.367 754 HA VAL 104 HA VAL 104 -2.632 -6.456 8.200 755 HB VAL 104 HB VAL 104 -0.484 -6.517 6.076 756 HG11 VAL 104 1HG1 VAL 104 -0.302 -7.042 9.041 757 HG12 VAL 104 2HG1 VAL 104 0.985 -7.342 7.872 758 HG13 VAL 104 3HG1 VAL 104 0.427 -5.695 8.168 759 HG21 VAL 104 1HG2 VAL 104 -1.238 -8.591 5.753 760 HG22 VAL 104 2HG2 VAL 104 -0.591 -8.969 7.350 761 HG23 VAL 104 3HG2 VAL 104 -2.286 -8.515 7.169 762 H ASP 105 H ASP 105 -2.890 -4.566 9.237 763 HA ASP 105 HA ASP 105 -2.225 -2.030 8.248 764 HB2 ASP 105 1HB ASP 105 -2.468 -2.920 11.130 765 HB3 ASP 105 2HB ASP 105 -2.504 -1.252 10.565 766 H TYR 106 H TYR 106 -0.260 -1.353 7.722 767 HA TYR 106 HA TYR 106 2.121 -2.502 8.792 768 HB2 TYR 106 1HB TYR 106 2.309 -1.736 6.578 769 HB3 TYR 106 2HB TYR 106 1.555 -0.191 6.952 770 HD1 TYR 106 2HD TYR 106 4.655 -2.158 7.201 771 HD2 TYR 106 1HD TYR 106 2.841 1.640 7.820 772 HE1 TYR 106 2HE TYR 106 6.880 -1.148 7.484 773 HE2 TYR 106 1HE TYR 106 5.061 2.661 8.103 774 HH TYR 106 HH TYR 106 7.441 2.124 7.362 775 H ASP 107 H ASP 107 3.283 -1.917 10.507 776 HA ASP 107 HA ASP 107 2.747 0.707 11.735 777 HB2 ASP 107 1HB ASP 107 1.682 -0.932 13.130 778 HB3 ASP 107 2HB ASP 107 3.110 -1.962 13.103 779 H GLY 108 H GLY 108 4.555 1.714 10.916 780 HA2 GLY 108 1HA GLY 108 7.060 0.994 12.204 781 HA3 GLY 108 2HA GLY 108 7.063 0.908 10.449 782 H SER 109 H SER 109 8.565 2.553 10.196 783 HA SER 109 HA SER 109 7.605 5.241 10.933 784 HB2 SER 109 1HB SER 109 9.628 4.644 12.188 785 HB3 SER 109 2HB SER 109 10.471 4.295 10.678 786 HG SER 109 HG SER 109 11.023 6.326 10.856 787 H ARG 110 H ARG 110 6.839 3.944 8.559 788 HA ARG 110 HA ARG 110 6.984 4.031 6.256 789 HB2 ARG 110 1HB ARG 110 7.263 6.958 6.961 790 HB3 ARG 110 2HB ARG 110 6.662 6.308 5.442 791 HG2 ARG 110 1HG ARG 110 4.849 5.181 6.843 792 HG3 ARG 110 2HG ARG 110 5.360 6.264 8.140 793 HD2 ARG 110 1HD ARG 110 5.112 8.070 6.212 794 HD3 ARG 110 2HD ARG 110 3.984 6.871 5.579 795 HE ARG 110 HE ARG 110 3.590 8.580 7.837 796 HH11 ARG 110 2HH1 ARG 110 2.773 5.489 6.459 797 HH12 ARG 110 1HH1 ARG 110 1.274 5.356 7.317 798 HH21 ARG 110 2HH2 ARG 110 1.619 8.416 8.973 799 HH22 ARG 110 1HH2 ARG 110 0.619 7.022 8.747 800 H THR 111 H THR 111 9.499 3.391 7.287 801 HA THR 111 HA THR 111 11.349 4.999 5.661 802 HB THR 111 HB THR 111 13.130 3.721 6.986 803 HG1 THR 111 1HG THR 111 11.131 3.366 8.935 804 HG21 THR 111 1HG2 THR 111 13.276 5.672 8.050 805 HG22 THR 111 2HG2 THR 111 11.946 5.205 9.110 806 HG23 THR 111 3HG2 THR 111 11.614 6.041 7.594 807 H GLN 112 H GLN 112 12.851 3.967 4.289 808 HA GLN 112 HA GLN 112 11.874 1.910 2.712 809 HB2 GLN 112 1HB GLN 112 14.704 2.874 3.122 810 HB3 GLN 112 2HB GLN 112 14.253 1.705 1.888 811 HG2 GLN 112 1HG GLN 112 14.158 3.590 0.642 812 HG3 GLN 112 2HG GLN 112 12.508 3.590 1.262 813 HE21 GLN 112 1HE2 GLN 112 14.962 5.551 0.628 814 HE22 GLN 112 2HE2 GLN 112 14.743 6.756 1.846 815 H GLU 113 H GLU 113 14.070 1.767 5.474 816 HA GLU 113 HA GLU 113 14.693 -0.985 5.241 817 HB2 GLU 113 1HB GLU 113 14.779 0.890 7.607 818 HB3 GLU 113 2HB GLU 113 15.383 -0.761 7.649 819 HG2 GLU 113 1HG GLU 113 16.951 -0.191 5.826 820 HG3 GLU 113 2HG GLU 113 16.392 1.478 5.910 821 H GLU 114 H GLU 114 12.465 0.712 7.451 822 HA GLU 114 HA GLU 114 11.354 -1.603 8.584 823 HB2 GLU 114 1HB GLU 114 10.321 1.215 8.313 824 HB3 GLU 114 2HB GLU 114 9.414 -0.038 9.148 825 HG2 GLU 114 1HG GLU 114 12.226 0.722 9.882 826 HG3 GLU 114 2HG GLU 114 10.799 1.468 10.600 827 H ILE 115 H ILE 115 9.750 0.605 6.285 828 HA ILE 115 HA ILE 115 7.547 -0.796 5.631 829 HB ILE 115 HB ILE 115 9.336 0.603 3.641 830 HG12 ILE 115 1HG1 ILE 115 6.881 1.683 5.022 831 HG13 ILE 115 2HG1 ILE 115 8.502 1.901 5.670 832 HG21 ILE 115 1HG2 ILE 115 7.079 0.925 2.461 833 HG22 ILE 115 2HG2 ILE 115 7.865 -0.648 2.336 834 HG23 ILE 115 3HG2 ILE 115 6.525 -0.419 3.460 835 HD11 ILE 115 1HD1 ILE 115 7.620 2.816 2.945 836 HD12 ILE 115 2HD1 ILE 115 7.676 3.836 4.383 837 HD13 ILE 115 3HD1 ILE 115 9.163 3.147 3.732 838 H VAL 116 H VAL 116 10.691 -1.253 4.010 839 HA VAL 116 HA VAL 116 9.872 -3.441 2.431 840 HB VAL 116 HB VAL 116 12.643 -2.680 3.362 841 HG11 VAL 116 1HG1 VAL 116 12.600 -4.086 0.875 842 HG12 VAL 116 2HG1 VAL 116 13.428 -4.508 2.375 843 HG13 VAL 116 3HG1 VAL 116 11.771 -5.046 2.100 844 HG21 VAL 116 1HG2 VAL 116 11.719 -2.252 0.582 845 HG22 VAL 116 2HG2 VAL 116 11.063 -1.181 1.820 846 HG23 VAL 116 3HG2 VAL 116 12.807 -1.285 1.577 847 H ALA 117 H ALA 117 11.343 -3.234 5.632 848 HA ALA 117 HA ALA 117 11.930 -5.942 6.010 849 HB1 ALA 117 1HB ALA 117 11.571 -3.588 7.746 850 HB2 ALA 117 2HB ALA 117 11.364 -5.158 8.524 851 HB3 ALA 117 3HB ALA 117 12.873 -4.777 7.694 852 H LYS 118 H LYS 118 8.993 -4.108 6.817 853 HA LYS 118 HA LYS 118 7.591 -6.311 7.915 854 HB2 LYS 118 1HB LYS 118 6.920 -4.059 8.463 855 HB3 LYS 118 2HB LYS 118 6.614 -3.691 6.770 856 HG2 LYS 118 1HG LYS 118 4.528 -4.038 7.909 857 HG3 LYS 118 2HG LYS 118 4.797 -5.357 6.767 858 HD2 LYS 118 1HD LYS 118 4.057 -6.450 8.684 859 HD3 LYS 118 2HD LYS 118 5.813 -6.602 8.785 860 HE2 LYS 118 1HE LYS 118 5.083 -5.974 10.943 861 HE3 LYS 118 2HE LYS 118 5.781 -4.524 10.222 862 HZ1 LYS 118 1HZ LYS 118 2.879 -5.076 10.097 863 HZ2 LYS 118 2HZ LYS 118 3.680 -3.604 9.874 864 HZ3 LYS 118 3HZ LYS 118 3.574 -4.282 11.420 865 H VAL 119 H VAL 119 7.309 -4.693 4.750 866 HA VAL 119 HA VAL 119 5.412 -6.395 3.629 867 HB VAL 119 HB VAL 119 7.646 -4.914 2.235 868 HG11 VAL 119 1HG1 VAL 119 6.529 -6.816 0.963 869 HG12 VAL 119 2HG1 VAL 119 5.066 -5.831 0.997 870 HG13 VAL 119 3HG1 VAL 119 6.518 -5.228 0.197 871 HG21 VAL 119 1HG2 VAL 119 4.761 -4.122 2.595 872 HG22 VAL 119 2HG2 VAL 119 6.083 -3.533 3.603 873 HG23 VAL 119 3HG2 VAL 119 6.053 -3.159 1.879 874 H ARG 120 H ARG 120 8.860 -6.791 4.028 875 HA ARG 120 HA ARG 120 9.034 -9.063 2.266 876 HB2 ARG 120 1HB ARG 120 10.931 -7.685 4.137 877 HB3 ARG 120 2HB ARG 120 11.334 -9.262 3.473 878 HG2 ARG 120 1HG ARG 120 11.088 -8.350 1.204 879 HG3 ARG 120 2HG ARG 120 10.748 -6.764 1.899 880 HD2 ARG 120 1HD ARG 120 13.027 -6.701 1.355 881 HD3 ARG 120 2HD ARG 120 12.988 -6.994 3.093 882 HE ARG 120 HE ARG 120 13.860 -8.836 1.028 883 HH11 ARG 120 2HH1 ARG 120 12.966 -8.365 4.360 884 HH12 ARG 120 1HH1 ARG 120 13.770 -9.796 4.913 885 HH21 ARG 120 2HH2 ARG 120 14.922 -10.722 1.745 886 HH22 ARG 120 1HH2 ARG 120 14.883 -11.136 3.425 887 H GLU 121 H GLU 121 9.049 -8.538 5.777 888 HA GLU 121 HA GLU 121 9.352 -11.248 6.497 889 HB2 GLU 121 1HB GLU 121 9.075 -10.554 8.674 890 HB3 GLU 121 2HB GLU 121 9.537 -9.039 7.911 891 HG2 GLU 121 1HG GLU 121 7.270 -8.297 7.849 892 HG3 GLU 121 2HG GLU 121 6.688 -9.871 8.387 893 H VAL 122 H VAL 122 6.526 -9.261 5.828 894 HA VAL 122 HA VAL 122 4.595 -11.147 6.712 895 HB VAL 122 HB VAL 122 4.361 -8.824 4.799 896 HG11 VAL 122 1HG1 VAL 122 2.300 -9.455 4.268 897 HG12 VAL 122 2HG1 VAL 122 2.574 -10.974 5.124 898 HG13 VAL 122 3HG1 VAL 122 1.868 -9.597 5.971 899 HG21 VAL 122 1HG2 VAL 122 4.488 -7.662 6.700 900 HG22 VAL 122 2HG2 VAL 122 2.887 -8.300 7.072 901 HG23 VAL 122 3HG2 VAL 122 4.325 -9.111 7.692 902 H SER 123 H SER 123 5.528 -10.168 3.408 903 HA SER 123 HA SER 123 4.112 -11.819 1.852 904 HB2 SER 123 1HB SER 123 5.819 -11.719 0.217 905 HB3 SER 123 2HB SER 123 6.032 -10.257 1.180 906 HG SER 123 HG SER 123 7.576 -11.659 2.423 907 H GLN 124 H GLN 124 6.739 -12.808 3.949 908 HA GLN 124 HA GLN 124 7.260 -15.356 3.025 909 HB2 GLN 124 1HB GLN 124 7.122 -14.478 5.914 910 HB3 GLN 124 2HB GLN 124 7.968 -15.895 5.307 911 HG2 GLN 124 1HG GLN 124 8.620 -13.016 4.734 912 HG3 GLN 124 2HG GLN 124 9.546 -14.141 5.726 913 HE21 GLN 124 1HE2 GLN 124 9.499 -12.665 2.840 914 HE22 GLN 124 2HE2 GLN 124 10.383 -13.807 1.892 915 HA PRO 125 HA PRO 125 3.514 -17.604 3.596 916 HB2 PRO 125 1HB PRO 125 4.545 -20.116 3.584 917 HB3 PRO 125 2HB PRO 125 4.391 -19.133 2.122 918 HG2 PRO 125 1HG PRO 125 6.796 -19.608 3.842 919 HG3 PRO 125 2HG PRO 125 6.673 -19.579 2.073 920 HD2 PRO 125 1HD PRO 125 7.610 -17.479 3.502 921 HD3 PRO 125 2HD PRO 125 6.717 -17.277 1.981 922 H ASP 126 H ASP 126 6.158 -17.718 5.801 923 HA ASP 126 HA ASP 126 4.808 -19.400 7.731 924 HB2 ASP 126 1HB ASP 126 7.313 -17.751 8.113 925 HB3 ASP 126 2HB ASP 126 6.763 -19.094 9.111 926 H TRP 127 H TRP 127 5.532 -15.976 7.289 927 HA TRP 127 HA TRP 127 4.795 -14.956 9.739 928 HB2 TRP 127 1HB TRP 127 5.743 -13.541 8.017 929 HB3 TRP 127 2HB TRP 127 4.334 -13.784 6.989 930 HD1 TRP 127 HD TRP 127 5.674 -11.533 9.641 931 HE1 TRP 127 1HE TRP 127 3.895 -9.796 10.306 932 HE3 TRP 127 3HE TRP 127 1.616 -13.596 7.315 933 HZ2 TRP 127 2HZ TRP 127 1.137 -9.358 9.899 934 HZ3 TRP 127 3HZ TRP 127 -0.556 -12.456 7.502 935 HH2 TRP 127 HH TRP 127 -0.789 -10.381 8.768 936 H THR 128 H THR 128 2.858 -14.100 10.587 937 HA THR 128 HA THR 128 0.354 -14.729 9.250 938 HB THR 128 HB THR 128 -0.516 -15.832 11.376 939 HG1 THR 128 1HG THR 128 0.887 -16.371 12.900 940 HG21 THR 128 1HG2 THR 128 0.323 -18.043 10.738 941 HG22 THR 128 2HG2 THR 128 1.600 -17.287 9.784 942 HG23 THR 128 3HG2 THR 128 -0.088 -17.085 9.316 943 HA PRO 129 HA PRO 129 -1.011 -11.056 11.233 944 HB2 PRO 129 1HB PRO 129 -3.671 -11.549 11.463 945 HB3 PRO 129 2HB PRO 129 -2.890 -11.190 9.918 946 HG2 PRO 129 1HG PRO 129 -3.671 -13.838 11.077 947 HG3 PRO 129 2HG PRO 129 -3.859 -13.244 9.416 948 HD2 PRO 129 1HD PRO 129 -1.859 -14.916 10.149 949 HD3 PRO 129 2HD PRO 129 -1.665 -13.697 8.873 950 HA PRO 130 HA PRO 130 -0.947 -12.009 15.571 951 HB2 PRO 130 1HB PRO 130 -1.248 -9.464 16.467 952 HB3 PRO 130 2HB PRO 130 0.275 -10.078 15.813 953 HG2 PRO 130 1HG PRO 130 -1.831 -8.423 14.475 954 HG3 PRO 130 2HG PRO 130 -0.066 -8.259 14.405 955 HD2 PRO 130 1HD PRO 130 -1.500 -9.434 12.431 956 HD3 PRO 130 2HD PRO 130 0.153 -9.936 12.839 957 HA PRO 131 HA PRO 131 -5.169 -12.253 16.802 958 HB2 PRO 131 1HB PRO 131 -4.879 -12.312 19.501 959 HB3 PRO 131 2HB PRO 131 -4.463 -13.678 18.460 960 HG2 PRO 131 1HG PRO 131 -2.675 -11.601 19.665 961 HG3 PRO 131 2HG PRO 131 -2.427 -13.352 19.535 962 HD2 PRO 131 1HD PRO 131 -1.262 -11.586 17.845 963 HD3 PRO 131 2HD PRO 131 -1.742 -13.219 17.338 964 H GLU 132 H GLU 132 -6.580 -11.245 18.747 965 HA GLU 132 HA GLU 132 -7.665 -9.396 19.507 966 HB2 GLU 132 1HB GLU 132 -5.214 -9.137 20.476 967 HB3 GLU 132 2HB GLU 132 -5.170 -7.763 19.380 968 HG2 GLU 132 1HG GLU 132 -7.466 -7.200 20.540 969 HG3 GLU 132 2HG GLU 132 -6.785 -8.184 21.835 970 H VAL 133 H VAL 133 -7.724 -9.831 16.752 971 HA VAL 133 HA VAL 133 -8.296 -7.139 15.833 972 HB VAL 133 HB VAL 133 -5.952 -7.459 15.150 973 HG11 VAL 133 1HG1 VAL 133 -6.926 -9.697 13.390 974 HG12 VAL 133 2HG1 VAL 133 -5.264 -9.169 13.660 975 HG13 VAL 133 3HG1 VAL 133 -6.159 -9.965 14.955 976 HG21 VAL 133 1HG2 VAL 133 -7.608 -7.639 12.661 977 HG22 VAL 133 2HG2 VAL 133 -7.769 -6.262 13.750 978 HG23 VAL 133 3HG2 VAL 133 -6.212 -6.615 13.000 979 H THR 134 H THR 134 -9.796 -7.059 14.154 980 HA THR 134 HA THR 134 -11.863 -8.730 14.029 981 HB THR 134 HB THR 134 -10.664 -7.430 11.575 982 HG1 THR 134 1HG THR 134 -12.381 -5.839 12.191 983 HG21 THR 134 1HG2 THR 134 -12.330 -8.395 10.451 984 HG22 THR 134 2HG2 THR 134 -13.463 -7.463 11.431 985 HG23 THR 134 3HG2 THR 134 -12.992 -9.088 11.931 986 H SER 135 H SER 135 -12.434 -10.683 13.227 987 HA SER 135 HA SER 135 -10.282 -12.354 12.179 988 HB2 SER 135 1HB SER 135 -11.688 -13.127 14.107 989 HB3 SER 135 2HB SER 135 -13.070 -13.182 13.013 990 HG SER 135 HG SER 135 -11.030 -14.954 13.318 991 H GLY 136 H GLY 136 -10.816 -13.918 10.432 992 HA2 GLY 136 1HA GLY 136 -12.635 -12.687 8.453 993 HA3 GLY 136 2HA GLY 136 -11.070 -13.357 8.015 994 HA PRO 137 HA PRO 137 -14.141 -16.652 7.136 995 HB2 PRO 137 1HB PRO 137 -12.847 -17.559 4.928 996 HB3 PRO 137 2HB PRO 137 -13.979 -16.203 4.888 997 HG2 PRO 137 1HG PRO 137 -10.987 -16.171 4.976 998 HG3 PRO 137 2HG PRO 137 -12.088 -15.179 4.003 999 HD2 PRO 137 1HD PRO 137 -10.924 -14.265 6.270 1000 HD3 PRO 137 2HD PRO 137 -12.537 -13.741 5.747 1001 H SER 138 H SER 138 -13.982 -18.849 7.508 1002 HA SER 138 HA SER 138 -11.312 -19.851 8.255 1003 HB2 SER 138 1HB SER 138 -12.311 -21.116 10.059 1004 HB3 SER 138 2HB SER 138 -12.804 -19.431 10.219 1005 HG SER 138 HG SER 138 -14.814 -19.941 9.531 1006 H SER 139 H SER 139 -10.764 -21.904 7.633 1007 HA SER 139 HA SER 139 -11.762 -22.957 5.300 1008 HB2 SER 139 1HB SER 139 -10.231 -24.223 7.562 1009 HB3 SER 139 2HB SER 139 -10.692 -25.156 6.139 1010 HG SER 139 HG SER 139 -9.631 -23.399 4.921 1011 H GLY 140 H GLY 140 -13.910 -23.299 5.069 1012 HA2 GLY 140 1HA GLY 140 -15.178 -25.593 5.633 1013 HA3 GLY 140 2HA GLY 140 -15.416 -24.693 7.124 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -14.394 -28.738 -18.980 2 HA2 GLY 1 1HA GLY 1 -12.479 -27.487 -18.466 3 HA3 GLY 1 2HA GLY 1 -12.739 -27.046 -20.147 4 H SER 2 H SER 2 -11.449 -25.422 -18.210 5 HA SER 2 HA SER 2 -13.084 -23.489 -17.033 6 HB2 SER 2 1HB SER 2 -10.225 -23.578 -17.896 7 HB3 SER 2 2HB SER 2 -10.919 -22.017 -17.456 8 HG SER 2 HG SER 2 -11.444 -22.874 -15.434 9 H SER 3 H SER 3 -11.365 -23.333 -20.154 10 HA SER 3 HA SER 3 -11.645 -21.976 -21.968 11 HB2 SER 3 1HB SER 3 -14.563 -22.351 -21.252 12 HB3 SER 3 2HB SER 3 -13.939 -21.858 -22.826 13 HG SER 3 HG SER 3 -13.832 -23.911 -23.227 14 H GLY 4 H GLY 4 -11.054 -20.528 -19.678 15 HA2 GLY 4 1HA GLY 4 -12.802 -18.160 -19.900 16 HA3 GLY 4 2HA GLY 4 -11.826 -18.551 -18.491 17 H SER 5 H SER 5 -11.861 -17.149 -21.663 18 HA SER 5 HA SER 5 -9.068 -16.286 -21.286 19 HB2 SER 5 1HB SER 5 -9.706 -17.750 -23.327 20 HB3 SER 5 2HB SER 5 -10.467 -16.287 -23.951 21 HG SER 5 HG SER 5 -8.566 -15.540 -24.423 22 H SER 6 H SER 6 -8.538 -14.132 -21.660 23 HA SER 6 HA SER 6 -10.838 -12.294 -21.797 24 HB2 SER 6 1HB SER 6 -9.372 -12.487 -19.628 25 HB3 SER 6 2HB SER 6 -8.232 -11.500 -20.543 26 HG SER 6 HG SER 6 -10.689 -10.835 -19.462 27 H GLY 7 H GLY 7 -10.842 -10.762 -23.334 28 HA2 GLY 7 1HA GLY 7 -8.326 -10.168 -24.736 29 HA3 GLY 7 2HA GLY 7 -9.727 -10.679 -25.666 30 H ASP 8 H ASP 8 -9.369 -8.447 -22.916 31 HA ASP 8 HA ASP 8 -10.307 -6.265 -24.638 32 HB2 ASP 8 1HB ASP 8 -12.155 -7.392 -23.190 33 HB3 ASP 8 2HB ASP 8 -11.388 -6.542 -21.851 34 H ASP 9 H ASP 9 -9.830 -4.137 -23.821 35 HA ASP 9 HA ASP 9 -7.564 -4.138 -21.937 36 HB2 ASP 9 1HB ASP 9 -6.601 -2.312 -23.140 37 HB3 ASP 9 2HB ASP 9 -7.046 -3.533 -24.329 38 H ASP 10 H ASP 10 -10.122 -4.017 -20.921 39 HA ASP 10 HA ASP 10 -10.797 -1.232 -20.457 40 HB2 ASP 10 1HB ASP 10 -12.464 -3.191 -20.734 41 HB3 ASP 10 2HB ASP 10 -12.064 -3.576 -19.063 42 H LEU 11 H LEU 11 -9.671 -4.019 -18.567 43 HA LEU 11 HA LEU 11 -9.216 -2.301 -16.254 44 HB2 LEU 11 1HB LEU 11 -8.644 -5.244 -16.480 45 HB3 LEU 11 2HB LEU 11 -8.844 -4.289 -15.012 46 HG LEU 11 HG LEU 11 -11.113 -4.651 -16.941 47 HD11 LEU 11 1HD1 LEU 11 -9.877 -6.678 -15.251 48 HD12 LEU 11 2HD1 LEU 11 -11.058 -6.847 -16.550 49 HD13 LEU 11 3HD1 LEU 11 -11.593 -6.439 -14.920 50 HD21 LEU 11 1HD2 LEU 11 -11.306 -4.428 -13.971 51 HD22 LEU 11 2HD2 LEU 11 -12.452 -3.927 -15.215 52 HD23 LEU 11 3HD2 LEU 11 -10.987 -2.984 -14.933 53 H GLU 12 H GLU 12 -7.492 -1.038 -17.040 54 HA GLU 12 HA GLU 12 -4.979 -2.474 -17.549 55 HB2 GLU 12 1HB GLU 12 -5.908 -0.741 -19.201 56 HB3 GLU 12 2HB GLU 12 -5.443 0.464 -18.009 57 HG2 GLU 12 1HG GLU 12 -3.199 0.118 -18.326 58 HG3 GLU 12 2HG GLU 12 -3.426 -1.530 -18.909 59 H VAL 13 H VAL 13 -3.002 -1.086 -16.811 60 HA VAL 13 HA VAL 13 -3.446 0.208 -14.237 61 HB VAL 13 HB VAL 13 -1.722 -2.250 -14.553 62 HG11 VAL 13 1HG1 VAL 13 -0.373 -1.195 -13.095 63 HG12 VAL 13 2HG1 VAL 13 -1.613 -0.027 -12.634 64 HG13 VAL 13 3HG1 VAL 13 -1.608 -1.639 -11.917 65 HG21 VAL 13 1HG2 VAL 13 -4.025 -1.715 -12.682 66 HG22 VAL 13 2HG2 VAL 13 -4.154 -2.615 -14.194 67 HG23 VAL 13 3HG2 VAL 13 -3.148 -3.232 -12.883 68 H LYS 14 H LYS 14 -2.085 1.860 -13.923 69 HA LYS 14 HA LYS 14 0.038 2.275 -15.888 70 HB2 LYS 14 1HB LYS 14 -1.399 4.083 -13.962 71 HB3 LYS 14 2HB LYS 14 0.094 4.588 -14.742 72 HG2 LYS 14 1HG LYS 14 -2.100 3.539 -16.449 73 HG3 LYS 14 2HG LYS 14 -2.261 5.158 -15.765 74 HD2 LYS 14 1HD LYS 14 -0.424 5.969 -16.923 75 HD3 LYS 14 2HD LYS 14 0.269 4.362 -17.150 76 HE2 LYS 14 1HE LYS 14 -0.568 5.121 -19.259 77 HE3 LYS 14 2HE LYS 14 -1.625 3.835 -18.679 78 HZ1 LYS 14 1HZ LYS 14 -3.020 5.532 -19.479 79 HZ2 LYS 14 2HZ LYS 14 -2.149 6.750 -18.693 80 HZ3 LYS 14 3HZ LYS 14 -3.084 5.663 -17.793 81 H GLU 15 H GLU 15 1.904 3.720 -14.784 82 HA GLU 15 HA GLU 15 2.708 2.733 -12.193 83 HB2 GLU 15 1HB GLU 15 4.569 1.474 -12.815 84 HB3 GLU 15 2HB GLU 15 3.347 0.977 -13.977 85 HG2 GLU 15 1HG GLU 15 4.345 2.770 -15.506 86 HG3 GLU 15 2HG GLU 15 5.713 2.763 -14.394 87 H GLU 16 H GLU 16 4.414 3.909 -11.278 88 HA GLU 16 HA GLU 16 5.451 6.154 -12.862 89 HB2 GLU 16 1HB GLU 16 4.145 6.318 -10.146 90 HB3 GLU 16 2HB GLU 16 5.157 7.597 -10.801 91 HG2 GLU 16 1HG GLU 16 2.766 6.563 -12.281 92 HG3 GLU 16 2HG GLU 16 2.635 7.827 -11.059 93 H ASN 17 H ASN 17 7.503 5.340 -12.992 94 HA ASN 17 HA ASN 17 9.630 4.843 -12.358 95 HB2 ASN 17 1HB ASN 17 8.836 6.297 -9.824 96 HB3 ASN 17 2HB ASN 17 10.485 5.931 -10.323 97 HD21 ASN 17 1HD2 ASN 17 10.026 8.459 -9.816 98 HD22 ASN 17 2HD2 ASN 17 9.886 9.399 -11.259 99 H GLY 18 H GLY 18 7.707 2.832 -11.958 100 HA2 GLY 18 1HA GLY 18 8.129 0.644 -11.124 101 HA3 GLY 18 2HA GLY 18 9.011 1.357 -9.782 102 H VAL 19 H VAL 19 6.662 3.341 -9.595 103 HA VAL 19 HA VAL 19 5.166 1.752 -7.688 104 HB VAL 19 HB VAL 19 4.930 4.678 -8.405 105 HG11 VAL 19 1HG1 VAL 19 3.460 4.948 -6.596 106 HG12 VAL 19 2HG1 VAL 19 2.878 3.509 -7.436 107 HG13 VAL 19 3HG1 VAL 19 3.819 3.346 -5.953 108 HG21 VAL 19 1HG2 VAL 19 5.991 4.936 -6.116 109 HG22 VAL 19 2HG2 VAL 19 6.386 3.220 -6.212 110 HG23 VAL 19 3HG2 VAL 19 7.042 4.343 -7.403 111 H TRP 20 H TRP 20 3.754 0.411 -8.689 112 HA TRP 20 HA TRP 20 2.292 1.047 -11.021 113 HB2 TRP 20 1HB TRP 20 1.756 -1.039 -8.895 114 HB3 TRP 20 2HB TRP 20 0.946 -0.964 -10.457 115 HD1 TRP 20 HD TRP 20 3.995 -2.325 -8.792 116 HE1 TRP 20 1HE TRP 20 5.515 -3.462 -10.531 117 HE3 TRP 20 3HE TRP 20 1.733 -0.657 -13.063 118 HZ2 TRP 20 2HZ TRP 20 5.727 -3.629 -13.341 119 HZ3 TRP 20 3HZ TRP 20 2.657 -1.351 -15.235 120 HH2 TRP 20 HH TRP 20 4.613 -2.806 -15.369 121 H VAL 21 H VAL 21 0.055 1.477 -11.272 122 HA VAL 21 HA VAL 21 -1.108 2.920 -8.986 123 HB VAL 21 HB VAL 21 -1.702 3.234 -11.932 124 HG11 VAL 21 1HG1 VAL 21 -3.224 4.914 -11.399 125 HG12 VAL 21 2HG1 VAL 21 -3.564 3.660 -10.205 126 HG13 VAL 21 3HG1 VAL 21 -2.616 5.077 -9.753 127 HG21 VAL 21 1HG2 VAL 21 -0.487 5.259 -11.866 128 HG22 VAL 21 2HG2 VAL 21 -0.364 5.217 -10.107 129 HG23 VAL 21 3HG2 VAL 21 0.538 4.057 -11.083 130 H LEU 22 H LEU 22 -2.557 1.730 -7.934 131 HA LEU 22 HA LEU 22 -4.276 -0.099 -9.463 132 HB2 LEU 22 1HB LEU 22 -3.350 -0.043 -6.618 133 HB3 LEU 22 2HB LEU 22 -4.803 -0.933 -7.066 134 HG LEU 22 HG LEU 22 -2.029 -1.432 -8.143 135 HD11 LEU 22 1HD1 LEU 22 -3.672 -3.183 -6.334 136 HD12 LEU 22 2HD1 LEU 22 -2.456 -2.052 -5.741 137 HD13 LEU 22 3HD1 LEU 22 -1.983 -3.380 -6.801 138 HD21 LEU 22 1HD2 LEU 22 -2.961 -2.651 -9.745 139 HD22 LEU 22 2HD2 LEU 22 -4.543 -2.057 -9.240 140 HD23 LEU 22 3HD2 LEU 22 -3.903 -3.554 -8.559 141 H ASN 23 H ASN 23 -6.533 -0.320 -8.681 142 HA ASN 23 HA ASN 23 -7.762 1.680 -7.108 143 HB2 ASN 23 1HB ASN 23 -9.099 2.543 -9.247 144 HB3 ASN 23 2HB ASN 23 -7.616 3.321 -8.700 145 HD21 ASN 23 1HD2 ASN 23 -8.972 1.055 -11.002 146 HD22 ASN 23 2HD2 ASN 23 -7.708 1.195 -12.171 147 H ASP 24 H ASP 24 -10.170 1.565 -7.247 148 HA ASP 24 HA ASP 24 -11.129 -0.979 -6.949 149 HB2 ASP 24 1HB ASP 24 -12.411 1.643 -7.543 150 HB3 ASP 24 2HB ASP 24 -13.401 0.196 -7.712 151 H GLY 25 H GLY 25 -10.374 0.623 -9.881 152 HA2 GLY 25 1HA GLY 25 -12.090 -0.969 -11.565 153 HA3 GLY 25 2HA GLY 25 -10.826 0.129 -12.100 154 H ASN 26 H ASN 26 -8.663 -0.996 -10.680 155 HA ASN 26 HA ASN 26 -8.500 -3.728 -11.744 156 HB2 ASN 26 1HB ASN 26 -6.004 -2.938 -12.282 157 HB3 ASN 26 2HB ASN 26 -7.312 -2.774 -13.451 158 HD21 ASN 26 1HD2 ASN 26 -5.208 -1.124 -11.248 159 HD22 ASN 26 2HD2 ASN 26 -5.555 0.478 -11.793 160 H PHE 27 H PHE 27 -8.935 -3.015 -9.078 161 HA PHE 27 HA PHE 27 -6.400 -3.122 -7.684 162 HB2 PHE 27 1HB PHE 27 -8.314 -1.806 -6.802 163 HB3 PHE 27 2HB PHE 27 -9.209 -3.305 -6.576 164 HD1 PHE 27 2HD PHE 27 -8.406 -4.975 -4.919 165 HD2 PHE 27 1HD PHE 27 -6.697 -1.090 -5.241 166 HE1 PHE 27 2HE PHE 27 -7.415 -5.229 -2.681 167 HE2 PHE 27 1HE PHE 27 -5.703 -1.338 -3.004 168 HZ PHE 27 HZ PHE 27 -6.062 -3.409 -1.721 169 H ASP 28 H ASP 28 -9.301 -5.191 -7.833 170 HA ASP 28 HA ASP 28 -8.082 -7.369 -6.483 171 HB2 ASP 28 1HB ASP 28 -10.092 -8.603 -7.705 172 HB3 ASP 28 2HB ASP 28 -10.366 -7.530 -6.335 173 H ASN 29 H ASN 29 -8.728 -6.711 -9.913 174 HA ASN 29 HA ASN 29 -7.881 -9.063 -11.048 175 HB2 ASN 29 1HB ASN 29 -7.907 -6.224 -11.940 176 HB3 ASN 29 2HB ASN 29 -6.964 -7.361 -12.899 177 HD21 ASN 29 1HD2 ASN 29 -7.991 -8.476 -14.400 178 HD22 ASN 29 2HD2 ASN 29 -9.703 -8.672 -14.519 179 H PHE 30 H PHE 30 -5.902 -6.337 -9.969 180 HA PHE 30 HA PHE 30 -3.434 -7.347 -10.910 181 HB2 PHE 30 1HB PHE 30 -4.004 -4.958 -10.152 182 HB3 PHE 30 2HB PHE 30 -3.726 -5.544 -8.515 183 HD1 PHE 30 1HD PHE 30 -2.143 -5.034 -11.813 184 HD2 PHE 30 2HD PHE 30 -1.546 -5.815 -7.671 185 HE1 PHE 30 1HE PHE 30 0.270 -4.641 -12.090 186 HE2 PHE 30 2HE PHE 30 0.868 -5.422 -7.942 187 HZ PHE 30 HZ PHE 30 1.779 -4.834 -10.153 188 H VAL 31 H VAL 31 -4.554 -7.102 -7.530 189 HA VAL 31 HA VAL 31 -2.609 -8.853 -6.498 190 HB VAL 31 HB VAL 31 -3.841 -8.842 -4.450 191 HG11 VAL 31 1HG1 VAL 31 -4.655 -6.221 -4.700 192 HG12 VAL 31 2HG1 VAL 31 -3.026 -6.769 -4.297 193 HG13 VAL 31 3HG1 VAL 31 -3.443 -6.394 -5.970 194 HG21 VAL 31 1HG2 VAL 31 -6.044 -9.376 -5.478 195 HG22 VAL 31 2HG2 VAL 31 -6.122 -8.123 -4.239 196 HG23 VAL 31 3HG2 VAL 31 -6.188 -7.681 -5.945 197 H ALA 32 H ALA 32 -5.209 -9.530 -8.464 198 HA ALA 32 HA ALA 32 -6.390 -11.819 -7.510 199 HB1 ALA 32 1HB ALA 32 -5.567 -11.418 -10.380 200 HB2 ALA 32 2HB ALA 32 -6.909 -12.388 -9.772 201 HB3 ALA 32 3HB ALA 32 -6.956 -10.630 -9.631 202 H ASP 33 H ASP 33 -3.375 -11.605 -9.392 203 HA ASP 33 HA ASP 33 -2.748 -14.354 -8.535 204 HB2 ASP 33 1HB ASP 33 -1.469 -12.951 -10.874 205 HB3 ASP 33 2HB ASP 33 -1.514 -14.677 -10.524 206 H LYS 34 H LYS 34 -2.246 -12.491 -6.674 207 HA LYS 34 HA LYS 34 0.673 -12.450 -6.612 208 HB2 LYS 34 1HB LYS 34 -1.007 -10.009 -6.009 209 HB3 LYS 34 2HB LYS 34 0.739 -10.129 -5.837 210 HG2 LYS 34 1HG LYS 34 0.763 -10.670 -8.336 211 HG3 LYS 34 2HG LYS 34 -0.897 -10.069 -8.346 212 HD2 LYS 34 1HD LYS 34 -0.263 -7.911 -7.941 213 HD3 LYS 34 2HD LYS 34 1.183 -8.388 -7.047 214 HE2 LYS 34 1HE LYS 34 0.944 -8.866 -9.999 215 HE3 LYS 34 2HE LYS 34 1.471 -7.307 -9.366 216 HZ1 LYS 34 1HZ LYS 34 2.775 -9.937 -8.925 217 HZ2 LYS 34 2HZ LYS 34 3.237 -8.506 -8.150 218 HZ3 LYS 34 3HZ LYS 34 3.380 -8.642 -9.830 219 H ASP 35 H ASP 35 1.282 -13.398 -4.793 220 HA ASP 35 HA ASP 35 -0.526 -13.890 -2.646 221 HB2 ASP 35 1HB ASP 35 2.391 -14.427 -3.112 222 HB3 ASP 35 2HB ASP 35 1.687 -14.681 -1.517 223 H THR 36 H THR 36 1.893 -11.478 -3.306 224 HA THR 36 HA THR 36 1.164 -10.123 -0.807 225 HB THR 36 HB THR 36 4.015 -10.205 -1.794 226 HG1 THR 36 1HG THR 36 4.386 -11.778 -0.248 227 HG21 THR 36 1HG2 THR 36 3.894 -9.700 0.947 228 HG22 THR 36 2HG2 THR 36 2.586 -8.744 0.251 229 HG23 THR 36 3HG2 THR 36 4.237 -8.535 -0.330 230 H VAL 37 H VAL 37 0.284 -8.251 -1.372 231 HA VAL 37 HA VAL 37 1.518 -6.725 -3.571 232 HB VAL 37 HB VAL 37 -1.432 -6.870 -2.931 233 HG11 VAL 37 1HG1 VAL 37 0.000 -4.790 -4.088 234 HG12 VAL 37 2HG1 VAL 37 -0.706 -5.656 -5.454 235 HG13 VAL 37 3HG1 VAL 37 -1.743 -5.044 -4.166 236 HG21 VAL 37 1HG2 VAL 37 0.250 -8.487 -4.602 237 HG22 VAL 37 2HG2 VAL 37 -1.475 -8.646 -4.267 238 HG23 VAL 37 3HG2 VAL 37 -0.924 -7.616 -5.589 239 H LEU 38 H LEU 38 2.485 -5.010 -2.713 240 HA LEU 38 HA LEU 38 1.631 -3.879 -0.205 241 HB2 LEU 38 1HB LEU 38 3.960 -3.938 -0.547 242 HB3 LEU 38 2HB LEU 38 3.820 -3.231 -2.156 243 HG LEU 38 HG LEU 38 3.035 -1.111 -0.995 244 HD11 LEU 38 1HD1 LEU 38 3.740 -2.806 1.339 245 HD12 LEU 38 2HD1 LEU 38 2.476 -1.590 1.161 246 HD13 LEU 38 3HD1 LEU 38 4.151 -1.092 1.400 247 HD21 LEU 38 1HD2 LEU 38 5.139 -0.885 -1.856 248 HD22 LEU 38 2HD2 LEU 38 5.781 -2.255 -0.949 249 HD23 LEU 38 3HD2 LEU 38 5.498 -0.714 -0.137 250 H LEU 39 H LEU 39 0.243 -2.263 0.066 251 HA LEU 39 HA LEU 39 -0.374 -0.543 -2.246 252 HB2 LEU 39 1HB LEU 39 -2.320 -1.161 -0.048 253 HB3 LEU 39 2HB LEU 39 -2.641 -0.479 -1.641 254 HG LEU 39 HG LEU 39 -1.566 -3.252 -1.479 255 HD11 LEU 39 1HD1 LEU 39 -4.443 -2.527 -0.945 256 HD12 LEU 39 2HD1 LEU 39 -3.319 -3.238 0.213 257 HD13 LEU 39 3HD1 LEU 39 -3.817 -4.155 -1.208 258 HD21 LEU 39 1HD2 LEU 39 -3.217 -1.599 -3.329 259 HD22 LEU 39 2HD2 LEU 39 -3.402 -3.353 -3.353 260 HD23 LEU 39 3HD2 LEU 39 -1.825 -2.627 -3.671 261 H GLU 40 H GLU 40 -0.237 1.601 -1.956 262 HA GLU 40 HA GLU 40 0.029 2.611 0.798 263 HB2 GLU 40 1HB GLU 40 2.230 2.546 -0.274 264 HB3 GLU 40 2HB GLU 40 1.612 3.488 -1.623 265 HG2 GLU 40 1HG GLU 40 1.357 4.626 1.105 266 HG3 GLU 40 2HG GLU 40 2.953 4.595 0.358 267 H PHE 41 H PHE 41 -1.566 3.959 1.259 268 HA PHE 41 HA PHE 41 -3.060 5.251 -0.868 269 HB2 PHE 41 1HB PHE 41 -3.477 5.224 2.128 270 HB3 PHE 41 2HB PHE 41 -4.570 5.972 0.968 271 HD1 PHE 41 1HD PHE 41 -5.972 4.626 -0.471 272 HD2 PHE 41 2HD PHE 41 -3.337 2.824 2.345 273 HE1 PHE 41 1HE PHE 41 -7.154 2.484 -0.739 274 HE2 PHE 41 2HE PHE 41 -4.514 0.680 2.080 275 HZ PHE 41 HZ PHE 41 -6.425 0.508 0.536 276 H TYR 42 H TYR 42 -3.156 7.416 -1.262 277 HA TYR 42 HA TYR 42 -1.611 9.221 0.452 278 HB2 TYR 42 1HB TYR 42 -0.350 10.134 -1.332 279 HB3 TYR 42 2HB TYR 42 -0.220 8.388 -1.514 280 HD1 TYR 42 2HD TYR 42 -2.033 11.369 -2.787 281 HD2 TYR 42 1HD TYR 42 -0.867 7.342 -3.513 282 HE1 TYR 42 2HE TYR 42 -2.848 11.557 -5.100 283 HE2 TYR 42 1HE TYR 42 -1.678 7.519 -5.829 284 HH TYR 42 HH TYR 42 -2.589 8.831 -7.366 285 H ALA 43 H ALA 43 -1.919 11.566 -0.389 286 HA ALA 43 HA ALA 43 -4.642 11.940 -1.423 287 HB1 ALA 43 1HB ALA 43 -5.041 12.186 0.861 288 HB2 ALA 43 2HB ALA 43 -3.515 13.030 1.133 289 HB3 ALA 43 3HB ALA 43 -4.834 13.842 0.289 290 HA PRO 44 HA PRO 44 -2.653 14.898 -4.023 291 HB2 PRO 44 1HB PRO 44 -4.865 16.235 -4.854 292 HB3 PRO 44 2HB PRO 44 -4.442 14.621 -5.437 293 HG2 PRO 44 1HG PRO 44 -6.405 15.416 -3.322 294 HG3 PRO 44 2HG PRO 44 -6.574 14.206 -4.608 295 HD2 PRO 44 1HD PRO 44 -5.980 13.542 -2.051 296 HD3 PRO 44 2HD PRO 44 -5.379 12.617 -3.442 297 H TRP 45 H TRP 45 -4.954 15.931 -1.556 298 HA TRP 45 HA TRP 45 -3.991 18.666 -1.623 299 HB2 TRP 45 1HB TRP 45 -5.576 18.689 0.514 300 HB3 TRP 45 2HB TRP 45 -6.226 18.740 -1.123 301 HD1 TRP 45 HD TRP 45 -7.743 16.757 -1.880 302 HE1 TRP 45 1HE TRP 45 -8.643 14.647 -0.714 303 HE3 TRP 45 3HE TRP 45 -4.863 16.872 2.342 304 HZ2 TRP 45 2HZ TRP 45 -8.193 13.221 1.680 305 HZ3 TRP 45 3HZ TRP 45 -5.160 15.098 4.022 306 HH2 TRP 45 HH TRP 45 -6.792 13.312 3.696 307 H CYS 46 H CYS 46 -2.612 15.997 -0.548 308 HA CYS 46 HA CYS 46 -1.646 17.181 1.967 309 HB2 CYS 46 1HB CYS 46 -2.702 14.896 2.064 310 HB3 CYS 46 2HB CYS 46 -1.369 14.306 1.079 311 HG CYS 46 HG CYS 46 -1.117 13.663 3.877 312 H GLY 47 H GLY 47 0.308 18.061 1.933 313 HA2 GLY 47 1HA GLY 47 2.037 17.722 -0.348 314 HA3 GLY 47 2HA GLY 47 2.338 18.744 1.050 315 H HIS 48 H HIS 48 1.965 16.581 2.969 316 HA HIS 48 HA HIS 48 4.549 15.764 3.375 317 HB2 HIS 48 1HB HIS 48 2.339 15.487 4.812 318 HB3 HIS 48 2HB HIS 48 2.374 13.863 4.131 319 HD1 HIS 48 1HD HIS 48 4.053 12.232 5.089 320 HD2 HIS 48 2HD HIS 48 4.561 16.105 6.505 321 HE1 HIS 48 1HE HIS 48 5.718 12.050 6.965 322 HE2 HIS 48 2HE HIS 48 5.945 14.393 7.861 323 H CYS 49 H CYS 49 2.174 14.388 1.233 324 HA CYS 49 HA CYS 49 3.438 11.890 0.806 325 HB2 CYS 49 1HB CYS 49 1.604 13.432 -1.042 326 HB3 CYS 49 2HB CYS 49 1.998 11.722 -1.172 327 HG CYS 49 HG CYS 49 0.290 10.828 0.561 328 H LYS 50 H LYS 50 3.697 15.033 -0.773 329 HA LYS 50 HA LYS 50 5.179 14.359 -3.007 330 HB2 LYS 50 1HB LYS 50 5.591 16.836 -1.327 331 HB3 LYS 50 2HB LYS 50 5.956 16.648 -3.037 332 HG2 LYS 50 1HG LYS 50 3.618 16.470 -3.570 333 HG3 LYS 50 2HG LYS 50 3.191 16.483 -1.857 334 HD2 LYS 50 1HD LYS 50 4.270 18.720 -3.545 335 HD3 LYS 50 2HD LYS 50 2.792 18.676 -2.580 336 HE2 LYS 50 1HE LYS 50 4.344 18.417 -0.560 337 HE3 LYS 50 2HE LYS 50 5.637 18.918 -1.649 338 HZ1 LYS 50 1HZ LYS 50 3.556 20.721 -1.988 339 HZ2 LYS 50 2HZ LYS 50 5.054 21.003 -1.256 340 HZ3 LYS 50 3HZ LYS 50 3.733 20.517 -0.318 341 H GLN 51 H GLN 51 6.526 15.537 0.083 342 HA GLN 51 HA GLN 51 9.198 15.097 -0.483 343 HB2 GLN 51 1HB GLN 51 7.745 14.937 2.160 344 HB3 GLN 51 2HB GLN 51 9.496 14.939 2.005 345 HG2 GLN 51 1HG GLN 51 9.177 17.141 0.727 346 HG3 GLN 51 2HG GLN 51 7.557 17.141 1.424 347 HE21 GLN 51 1HE2 GLN 51 9.249 19.178 1.991 348 HE22 GLN 51 2HE2 GLN 51 9.769 19.085 3.635 349 H PHE 52 H PHE 52 6.720 12.811 0.110 350 HA PHE 52 HA PHE 52 8.646 10.679 0.678 351 HB2 PHE 52 1HB PHE 52 6.495 10.981 2.027 352 HB3 PHE 52 2HB PHE 52 5.645 10.400 0.599 353 HD1 PHE 52 1HD PHE 52 8.681 9.388 2.527 354 HD2 PHE 52 2HD PHE 52 5.012 8.208 0.720 355 HE1 PHE 52 1HE PHE 52 9.079 7.068 3.242 356 HE2 PHE 52 2HE PHE 52 5.404 5.886 1.433 357 HZ PHE 52 HZ PHE 52 7.439 5.314 2.696 358 H ALA 53 H ALA 53 6.669 11.957 -1.830 359 HA ALA 53 HA ALA 53 6.021 9.919 -3.476 360 HB1 ALA 53 1HB ALA 53 7.379 11.942 -5.032 361 HB2 ALA 53 2HB ALA 53 5.662 11.545 -4.951 362 HB3 ALA 53 3HB ALA 53 6.366 12.659 -3.779 363 HA PRO 54 HA PRO 54 10.495 9.612 -5.288 364 HB2 PRO 54 1HB PRO 54 12.469 10.901 -3.942 365 HB3 PRO 54 2HB PRO 54 11.537 11.659 -5.238 366 HG2 PRO 54 1HG PRO 54 11.204 11.904 -2.274 367 HG3 PRO 54 2HG PRO 54 11.136 13.168 -3.515 368 HD2 PRO 54 1HD PRO 54 8.911 12.078 -2.423 369 HD3 PRO 54 2HD PRO 54 8.968 12.651 -4.103 370 H GLU 55 H GLU 55 10.185 9.849 -1.781 371 HA GLU 55 HA GLU 55 12.205 8.019 -1.087 372 HB2 GLU 55 1HB GLU 55 11.124 9.571 0.510 373 HB3 GLU 55 2HB GLU 55 9.645 8.627 0.402 374 HG2 GLU 55 1HG GLU 55 10.667 7.914 2.371 375 HG3 GLU 55 2HG GLU 55 11.029 6.652 1.195 376 H TYR 56 H TYR 56 8.748 7.570 -1.722 377 HA TYR 56 HA TYR 56 8.632 4.832 -1.093 378 HB2 TYR 56 1HB TYR 56 6.704 6.495 -1.491 379 HB3 TYR 56 2HB TYR 56 6.915 6.129 -3.199 380 HD1 TYR 56 1HD TYR 56 7.065 3.906 -0.206 381 HD2 TYR 56 2HD TYR 56 5.076 4.869 -3.841 382 HE1 TYR 56 1HE TYR 56 5.645 1.914 0.051 383 HE2 TYR 56 2HE TYR 56 3.650 2.881 -3.595 384 HH TYR 56 HH TYR 56 2.998 1.246 -2.187 385 H GLU 57 H GLU 57 8.841 6.410 -4.287 386 HA GLU 57 HA GLU 57 8.959 4.379 -6.011 387 HB2 GLU 57 1HB GLU 57 10.916 6.681 -5.918 388 HB3 GLU 57 2HB GLU 57 10.683 5.632 -7.309 389 HG2 GLU 57 1HG GLU 57 8.461 6.400 -7.625 390 HG3 GLU 57 2HG GLU 57 8.470 7.251 -6.082 391 H LYS 58 H LYS 58 11.735 5.374 -4.023 392 HA LYS 58 HA LYS 58 13.619 3.567 -4.902 393 HB2 LYS 58 1HB LYS 58 13.188 4.489 -2.055 394 HB3 LYS 58 2HB LYS 58 14.670 3.790 -2.692 395 HG2 LYS 58 1HG LYS 58 14.857 5.694 -4.252 396 HG3 LYS 58 2HG LYS 58 13.425 6.408 -3.506 397 HD2 LYS 58 1HD LYS 58 14.558 6.576 -1.384 398 HD3 LYS 58 2HD LYS 58 15.961 5.716 -2.024 399 HE2 LYS 58 1HE LYS 58 16.570 7.980 -2.072 400 HE3 LYS 58 2HE LYS 58 16.123 7.599 -3.734 401 HZ1 LYS 58 1HZ LYS 58 13.986 8.616 -3.388 402 HZ2 LYS 58 2HZ LYS 58 15.197 9.719 -2.966 403 HZ3 LYS 58 3HZ LYS 58 14.334 8.908 -1.758 404 H ILE 59 H ILE 59 11.282 3.100 -2.256 405 HA ILE 59 HA ILE 59 11.975 0.537 -1.499 406 HB ILE 59 HB ILE 59 9.251 1.829 -1.577 407 HG12 ILE 59 1HG1 ILE 59 10.996 1.250 0.813 408 HG13 ILE 59 2HG1 ILE 59 11.138 2.745 -0.106 409 HG21 ILE 59 1HG2 ILE 59 8.926 -0.560 -1.604 410 HG22 ILE 59 2HG2 ILE 59 10.086 -0.767 -0.293 411 HG23 ILE 59 3HG2 ILE 59 8.557 0.059 0.006 412 HD11 ILE 59 1HD1 ILE 59 9.052 3.495 0.557 413 HD12 ILE 59 2HD1 ILE 59 8.501 1.879 0.999 414 HD13 ILE 59 3HD1 ILE 59 9.682 2.715 2.007 415 H ALA 60 H ALA 60 9.844 1.560 -4.133 416 HA ALA 60 HA ALA 60 8.775 -0.850 -4.917 417 HB1 ALA 60 1HB ALA 60 9.724 0.999 -7.045 418 HB2 ALA 60 2HB ALA 60 8.173 0.179 -6.868 419 HB3 ALA 60 3HB ALA 60 8.541 1.591 -5.879 420 H SER 61 H SER 61 11.786 0.593 -6.183 421 HA SER 61 HA SER 61 12.548 -1.612 -7.735 422 HB2 SER 61 1HB SER 61 13.538 0.615 -8.022 423 HB3 SER 61 2HB SER 61 14.303 0.489 -6.439 424 HG SER 61 HG SER 61 14.808 -1.114 -8.725 425 H THR 62 H THR 62 13.298 -0.753 -4.388 426 HA THR 62 HA THR 62 15.201 -2.677 -3.806 427 HB THR 62 HB THR 62 13.033 -1.598 -1.995 428 HG1 THR 62 1HG THR 62 14.563 -0.083 -1.445 429 HG21 THR 62 1HG2 THR 62 15.536 -2.446 -0.762 430 HG22 THR 62 2HG2 THR 62 14.647 -3.778 -1.501 431 HG23 THR 62 3HG2 THR 62 13.872 -2.770 -0.279 432 H LEU 63 H LEU 63 11.694 -2.944 -3.185 433 HA LEU 63 HA LEU 63 11.820 -5.710 -2.555 434 HB2 LEU 63 1HB LEU 63 9.548 -3.869 -3.254 435 HB3 LEU 63 2HB LEU 63 9.307 -5.573 -2.873 436 HG LEU 63 HG LEU 63 10.634 -3.662 -0.964 437 HD11 LEU 63 1HD1 LEU 63 8.528 -2.681 -1.233 438 HD12 LEU 63 2HD1 LEU 63 8.351 -3.724 0.177 439 HD13 LEU 63 3HD1 LEU 63 7.720 -4.242 -1.386 440 HD21 LEU 63 1HD2 LEU 63 9.096 -6.108 -0.225 441 HD22 LEU 63 2HD2 LEU 63 10.446 -5.330 0.604 442 HD23 LEU 63 3HD2 LEU 63 10.734 -6.278 -0.856 443 H LYS 64 H LYS 64 11.246 -3.903 -5.501 444 HA LYS 64 HA LYS 64 10.070 -5.647 -7.195 445 HB2 LYS 64 1HB LYS 64 10.936 -3.399 -7.814 446 HB3 LYS 64 2HB LYS 64 12.560 -4.071 -7.873 447 HG2 LYS 64 1HG LYS 64 11.824 -5.607 -9.659 448 HG3 LYS 64 2HG LYS 64 10.239 -4.831 -9.634 449 HD2 LYS 64 1HD LYS 64 12.689 -3.160 -9.989 450 HD3 LYS 64 2HD LYS 64 12.057 -4.076 -11.359 451 HE2 LYS 64 1HE LYS 64 10.407 -2.181 -9.694 452 HE3 LYS 64 2HE LYS 64 11.223 -1.720 -11.187 453 HZ1 LYS 64 1HZ LYS 64 9.064 -3.730 -10.875 454 HZ2 LYS 64 2HZ LYS 64 9.943 -3.514 -12.303 455 HZ3 LYS 64 3HZ LYS 64 8.980 -2.258 -11.704 456 H ASP 65 H ASP 65 13.515 -5.692 -6.322 457 HA ASP 65 HA ASP 65 13.954 -8.144 -7.792 458 HB2 ASP 65 1HB ASP 65 15.672 -6.311 -7.586 459 HB3 ASP 65 2HB ASP 65 15.849 -6.757 -5.891 460 H ASN 66 H ASN 66 13.416 -7.144 -4.488 461 HA ASN 66 HA ASN 66 14.319 -9.156 -2.942 462 HB2 ASN 66 1HB ASN 66 12.990 -7.296 -2.062 463 HB3 ASN 66 2HB ASN 66 11.539 -7.969 -2.799 464 HD21 ASN 66 1HD2 ASN 66 10.620 -9.837 -1.930 465 HD22 ASN 66 2HD2 ASN 66 10.994 -10.375 -0.332 466 H ASP 67 H ASP 67 13.524 -11.177 -2.192 467 HA ASP 67 HA ASP 67 11.820 -12.565 -4.155 468 HB2 ASP 67 1HB ASP 67 14.104 -13.626 -2.482 469 HB3 ASP 67 2HB ASP 67 13.029 -14.643 -3.437 470 HA PRO 68 HA PRO 68 10.356 -13.854 -4.524 471 HB2 PRO 68 1HB PRO 68 7.679 -13.403 -4.564 472 HB3 PRO 68 2HB PRO 68 8.386 -14.945 -4.067 473 HG2 PRO 68 1HG PRO 68 7.378 -12.691 -2.375 474 HG3 PRO 68 2HG PRO 68 7.146 -14.437 -2.167 475 HD2 PRO 68 1HD PRO 68 8.979 -13.031 -0.753 476 HD3 PRO 68 2HD PRO 68 9.227 -14.727 -1.218 477 HA PRO 69 HA PRO 69 10.269 -9.761 -6.128 478 HB2 PRO 69 1HB PRO 69 8.956 -10.083 -8.483 479 HB3 PRO 69 2HB PRO 69 10.601 -10.670 -8.212 480 HG2 PRO 69 1HG PRO 69 8.013 -12.172 -8.113 481 HG3 PRO 69 2HG PRO 69 9.560 -12.654 -8.835 482 HD2 PRO 69 1HD PRO 69 8.738 -13.552 -6.416 483 HD3 PRO 69 2HD PRO 69 10.450 -13.293 -6.807 484 H ILE 70 H ILE 70 8.997 -8.545 -4.757 485 HA ILE 70 HA ILE 70 6.103 -8.640 -4.999 486 HB ILE 70 HB ILE 70 7.887 -6.968 -3.227 487 HG12 ILE 70 1HG1 ILE 70 6.000 -9.126 -2.332 488 HG13 ILE 70 2HG1 ILE 70 7.610 -9.539 -2.910 489 HG21 ILE 70 1HG2 ILE 70 5.994 -5.651 -3.416 490 HG22 ILE 70 2HG2 ILE 70 4.920 -7.039 -3.583 491 HG23 ILE 70 3HG2 ILE 70 5.617 -6.647 -2.011 492 HD11 ILE 70 1HD1 ILE 70 7.808 -7.420 -1.011 493 HD12 ILE 70 2HD1 ILE 70 6.848 -8.736 -0.334 494 HD13 ILE 70 3HD1 ILE 70 8.474 -9.051 -0.939 495 H ALA 71 H ALA 71 4.814 -6.804 -5.496 496 HA ALA 71 HA ALA 71 6.200 -4.798 -7.154 497 HB1 ALA 71 1HB ALA 71 4.813 -5.207 -8.843 498 HB2 ALA 71 2HB ALA 71 4.260 -6.624 -7.950 499 HB3 ALA 71 3HB ALA 71 3.399 -5.093 -7.796 500 H VAL 72 H VAL 72 6.180 -2.854 -6.255 501 HA VAL 72 HA VAL 72 4.262 -2.176 -4.199 502 HB VAL 72 HB VAL 72 6.541 -0.596 -5.397 503 HG11 VAL 72 1HG1 VAL 72 5.999 0.621 -3.041 504 HG12 VAL 72 2HG1 VAL 72 5.394 1.172 -4.604 505 HG13 VAL 72 3HG1 VAL 72 4.375 0.177 -3.563 506 HG21 VAL 72 1HG2 VAL 72 7.363 -0.967 -2.953 507 HG22 VAL 72 2HG2 VAL 72 6.222 -2.311 -2.970 508 HG23 VAL 72 3HG2 VAL 72 7.539 -2.258 -4.141 509 H ALA 73 H ALA 73 2.515 -0.908 -4.403 510 HA ALA 73 HA ALA 73 2.199 0.739 -6.802 511 HB1 ALA 73 1HB ALA 73 0.213 -0.198 -7.504 512 HB2 ALA 73 2HB ALA 73 1.113 -1.623 -6.982 513 HB3 ALA 73 3HB ALA 73 -0.123 -0.927 -5.933 514 H LYS 74 H LYS 74 0.663 2.433 -6.587 515 HA LYS 74 HA LYS 74 -0.075 3.016 -3.793 516 HB2 LYS 74 1HB LYS 74 0.298 5.344 -4.200 517 HB3 LYS 74 2HB LYS 74 1.722 4.476 -4.757 518 HG2 LYS 74 1HG LYS 74 0.994 4.674 -7.051 519 HG3 LYS 74 2HG LYS 74 -0.508 5.444 -6.534 520 HD2 LYS 74 1HD LYS 74 0.519 7.428 -6.039 521 HD3 LYS 74 2HD LYS 74 2.062 6.659 -5.661 522 HE2 LYS 74 1HE LYS 74 2.000 6.085 -8.239 523 HE3 LYS 74 2HE LYS 74 0.937 7.490 -8.288 524 HZ1 LYS 74 1HZ LYS 74 3.306 8.021 -8.657 525 HZ2 LYS 74 2HZ LYS 74 3.651 7.497 -7.087 526 HZ3 LYS 74 3HZ LYS 74 2.646 8.835 -7.330 527 H ILE 75 H ILE 75 -2.030 4.200 -3.450 528 HA ILE 75 HA ILE 75 -3.879 4.342 -5.712 529 HB ILE 75 HB ILE 75 -4.543 2.926 -3.128 530 HG12 ILE 75 1HG1 ILE 75 -4.602 1.714 -5.878 531 HG13 ILE 75 2HG1 ILE 75 -3.106 1.759 -4.951 532 HG21 ILE 75 1HG2 ILE 75 -6.489 2.549 -5.169 533 HG22 ILE 75 2HG2 ILE 75 -6.681 3.295 -3.583 534 HG23 ILE 75 3HG2 ILE 75 -6.211 4.279 -4.969 535 HD11 ILE 75 1HD1 ILE 75 -4.072 0.433 -3.215 536 HD12 ILE 75 2HD1 ILE 75 -5.663 0.518 -3.972 537 HD13 ILE 75 3HD1 ILE 75 -4.357 -0.368 -4.760 538 H ASP 76 H ASP 76 -5.070 6.141 -5.683 539 HA ASP 76 HA ASP 76 -4.782 7.979 -3.472 540 HB2 ASP 76 1HB ASP 76 -4.767 8.570 -5.981 541 HB3 ASP 76 2HB ASP 76 -6.520 8.418 -5.891 542 H ALA 77 H ALA 77 -5.926 7.043 -1.777 543 HA ALA 77 HA ALA 77 -8.330 5.834 -1.664 544 HB1 ALA 77 1HB ALA 77 -8.253 6.197 0.552 545 HB2 ALA 77 2HB ALA 77 -6.675 6.903 0.198 546 HB3 ALA 77 3HB ALA 77 -8.090 7.943 0.364 547 H THR 78 H THR 78 -7.846 9.342 -1.876 548 HA THR 78 HA THR 78 -10.386 10.291 -1.596 549 HB THR 78 HB THR 78 -9.804 12.136 -3.092 550 HG1 THR 78 1HG THR 78 -7.553 11.892 -4.032 551 HG21 THR 78 1HG2 THR 78 -7.287 11.404 -1.624 552 HG22 THR 78 2HG2 THR 78 -8.764 11.837 -0.764 553 HG23 THR 78 3HG2 THR 78 -8.007 12.996 -1.856 554 H SER 79 H SER 79 -8.986 8.829 -4.502 555 HA SER 79 HA SER 79 -11.410 9.172 -6.024 556 HB2 SER 79 1HB SER 79 -10.229 8.306 -7.846 557 HB3 SER 79 2HB SER 79 -8.961 9.086 -6.902 558 HG SER 79 HG SER 79 -8.475 6.910 -7.627 559 H ALA 80 H ALA 80 -9.750 6.530 -4.372 560 HA ALA 80 HA ALA 80 -11.910 4.685 -5.059 561 HB1 ALA 80 1HB ALA 80 -9.112 4.414 -4.403 562 HB2 ALA 80 2HB ALA 80 -10.109 3.353 -3.406 563 HB3 ALA 80 3HB ALA 80 -10.207 3.260 -5.165 564 H SER 81 H SER 81 -13.656 5.069 -3.810 565 HA SER 81 HA SER 81 -13.405 5.752 -1.018 566 HB2 SER 81 1HB SER 81 -15.669 5.444 -2.947 567 HB3 SER 81 2HB SER 81 -16.016 5.379 -1.219 568 HG SER 81 HG SER 81 -14.384 7.450 -2.108 569 H MET 82 H MET 82 -14.599 2.978 -2.886 570 HA MET 82 HA MET 82 -15.442 1.381 -0.773 571 HB2 MET 82 1HB MET 82 -15.921 0.833 -3.099 572 HB3 MET 82 2HB MET 82 -14.213 0.546 -3.406 573 HG2 MET 82 1HG MET 82 -14.360 -1.260 -1.623 574 HG3 MET 82 2HG MET 82 -16.108 -1.083 -1.752 575 HE1 MET 82 1HE MET 82 -12.911 -2.106 -2.969 576 HE2 MET 82 2HE MET 82 -13.504 -3.728 -3.326 577 HE3 MET 82 3HE MET 82 -13.062 -2.641 -4.643 578 H LEU 83 H LEU 83 -12.348 1.014 -2.518 579 HA LEU 83 HA LEU 83 -11.126 -0.768 -0.828 580 HB2 LEU 83 1HB LEU 83 -9.807 1.533 -2.263 581 HB3 LEU 83 2HB LEU 83 -8.990 0.098 -1.646 582 HG LEU 83 HG LEU 83 -11.083 0.060 -3.818 583 HD11 LEU 83 1HD1 LEU 83 -9.221 1.243 -4.695 584 HD12 LEU 83 2HD1 LEU 83 -9.111 -0.410 -5.298 585 HD13 LEU 83 3HD1 LEU 83 -8.077 0.114 -3.968 586 HD21 LEU 83 1HD2 LEU 83 -10.796 -2.013 -2.468 587 HD22 LEU 83 2HD2 LEU 83 -9.106 -2.054 -2.973 588 HD23 LEU 83 3HD2 LEU 83 -10.390 -2.205 -4.174 589 H ALA 84 H ALA 84 -11.155 2.770 -0.566 590 HA ALA 84 HA ALA 84 -9.444 3.142 1.554 591 HB1 ALA 84 1HB ALA 84 -11.871 4.591 0.612 592 HB2 ALA 84 2HB ALA 84 -11.132 5.059 2.144 593 HB3 ALA 84 3HB ALA 84 -10.188 5.117 0.655 594 H SER 85 H SER 85 -12.933 2.452 1.718 595 HA SER 85 HA SER 85 -13.070 2.396 4.540 596 HB2 SER 85 1HB SER 85 -15.049 2.680 3.076 597 HB3 SER 85 2HB SER 85 -14.876 1.008 2.544 598 HG SER 85 HG SER 85 -16.044 0.538 4.216 599 H LYS 86 H LYS 86 -12.402 -0.065 2.122 600 HA LYS 86 HA LYS 86 -12.667 -2.378 3.597 601 HB2 LYS 86 1HB LYS 86 -11.909 -1.935 1.108 602 HB3 LYS 86 2HB LYS 86 -10.298 -2.085 1.798 603 HG2 LYS 86 1HG LYS 86 -10.970 -4.302 2.712 604 HG3 LYS 86 2HG LYS 86 -12.488 -4.148 1.825 605 HD2 LYS 86 1HD LYS 86 -11.489 -4.447 -0.209 606 HD3 LYS 86 2HD LYS 86 -9.953 -3.759 0.323 607 HE2 LYS 86 1HE LYS 86 -9.649 -6.109 -0.044 608 HE3 LYS 86 2HE LYS 86 -9.579 -5.800 1.690 609 HZ1 LYS 86 1HZ LYS 86 -11.640 -7.183 0.130 610 HZ2 LYS 86 2HZ LYS 86 -12.112 -6.355 1.527 611 HZ3 LYS 86 3HZ LYS 86 -10.965 -7.595 1.625 612 H PHE 87 H PHE 87 -9.708 -0.417 3.253 613 HA PHE 87 HA PHE 87 -8.510 -1.844 5.497 614 HB2 PHE 87 1HB PHE 87 -7.305 0.320 3.761 615 HB3 PHE 87 2HB PHE 87 -6.445 -0.725 4.887 616 HD1 PHE 87 2HD PHE 87 -8.313 -0.657 1.705 617 HD2 PHE 87 1HD PHE 87 -5.728 -2.879 4.254 618 HE1 PHE 87 2HE PHE 87 -7.935 -2.283 -0.101 619 HE2 PHE 87 1HE PHE 87 -5.346 -4.509 2.451 620 HZ PHE 87 HZ PHE 87 -6.451 -4.213 0.270 621 H ASP 88 H ASP 88 -10.768 0.057 5.808 622 HA ASP 88 HA ASP 88 -11.370 1.940 6.992 623 HB2 ASP 88 1HB ASP 88 -11.035 0.166 8.692 624 HB3 ASP 88 2HB ASP 88 -9.373 0.709 8.902 625 H VAL 89 H VAL 89 -9.412 2.620 5.126 626 HA VAL 89 HA VAL 89 -7.229 4.027 6.256 627 HB VAL 89 HB VAL 89 -8.573 4.407 3.576 628 HG11 VAL 89 1HG1 VAL 89 -5.757 5.103 3.777 629 HG12 VAL 89 2HG1 VAL 89 -7.100 6.007 3.075 630 HG13 VAL 89 3HG1 VAL 89 -6.780 6.104 4.807 631 HG21 VAL 89 1HG2 VAL 89 -7.769 2.267 3.437 632 HG22 VAL 89 2HG2 VAL 89 -6.336 3.166 2.940 633 HG23 VAL 89 3HG2 VAL 89 -6.468 2.561 4.591 634 H SER 90 H SER 90 -7.667 5.544 7.758 635 HA SER 90 HA SER 90 -9.512 7.710 6.987 636 HB2 SER 90 1HB SER 90 -10.007 8.035 9.370 637 HB3 SER 90 2HB SER 90 -10.399 6.390 8.870 638 HG SER 90 HG SER 90 -8.717 7.198 10.783 639 H GLY 91 H GLY 91 -6.771 7.656 6.294 640 HA2 GLY 91 1HA GLY 91 -5.959 10.210 7.124 641 HA3 GLY 91 2HA GLY 91 -5.103 9.024 8.098 642 H TYR 92 H TYR 92 -3.511 10.554 6.692 643 HA TYR 92 HA TYR 92 -2.253 8.742 4.872 644 HB2 TYR 92 1HB TYR 92 -2.885 11.347 3.565 645 HB3 TYR 92 2HB TYR 92 -2.572 9.774 2.839 646 HD1 TYR 92 2HD TYR 92 -5.122 11.767 4.643 647 HD2 TYR 92 1HD TYR 92 -4.347 8.331 2.257 648 HE1 TYR 92 2HE TYR 92 -7.541 11.422 4.366 649 HE2 TYR 92 1HE TYR 92 -6.765 7.977 1.972 650 HH TYR 92 HH TYR 92 -8.853 8.548 3.082 651 HA PRO 93 HA PRO 93 -0.618 8.898 3.309 652 HB2 PRO 93 1HB PRO 93 1.837 7.835 3.770 653 HB3 PRO 93 2HB PRO 93 1.589 9.299 2.811 654 HG2 PRO 93 1HG PRO 93 2.421 9.028 5.674 655 HG3 PRO 93 2HG PRO 93 3.054 10.113 4.423 656 HD2 PRO 93 1HD PRO 93 1.294 10.935 6.309 657 HD3 PRO 93 2HD PRO 93 1.321 11.613 4.668 658 H THR 94 H THR 94 -0.782 6.617 3.341 659 HA THR 94 HA THR 94 -0.572 5.275 5.926 660 HB THR 94 HB THR 94 -3.124 5.357 4.307 661 HG1 THR 94 1HG THR 94 -3.008 7.102 5.689 662 HG21 THR 94 1HG2 THR 94 -3.183 3.969 6.874 663 HG22 THR 94 2HG2 THR 94 -2.154 3.179 5.680 664 HG23 THR 94 3HG2 THR 94 -3.851 3.491 5.315 665 H ILE 95 H ILE 95 0.592 3.510 5.580 666 HA ILE 95 HA ILE 95 0.527 2.242 2.939 667 HB ILE 95 HB ILE 95 2.461 1.871 5.229 668 HG12 ILE 95 1HG1 ILE 95 3.089 3.040 2.533 669 HG13 ILE 95 2HG1 ILE 95 2.430 4.050 3.814 670 HG21 ILE 95 1HG2 ILE 95 3.742 0.786 3.168 671 HG22 ILE 95 2HG2 ILE 95 2.674 -0.150 4.213 672 HG23 ILE 95 3HG2 ILE 95 2.089 0.444 2.659 673 HD11 ILE 95 1HD1 ILE 95 4.369 3.130 5.231 674 HD12 ILE 95 2HD1 ILE 95 5.067 2.656 3.682 675 HD13 ILE 95 3HD1 ILE 95 4.712 4.353 4.008 676 H LYS 96 H LYS 96 0.095 0.066 2.655 677 HA LYS 96 HA LYS 96 -0.684 -1.526 4.972 678 HB2 LYS 96 1HB LYS 96 -2.528 -0.904 2.661 679 HB3 LYS 96 2HB LYS 96 -2.812 -2.197 3.819 680 HG2 LYS 96 1HG LYS 96 -2.364 0.541 4.874 681 HG3 LYS 96 2HG LYS 96 -3.907 0.186 4.092 682 HD2 LYS 96 1HD LYS 96 -4.300 -1.648 5.619 683 HD3 LYS 96 2HD LYS 96 -2.709 -1.421 6.349 684 HE2 LYS 96 1HE LYS 96 -4.857 0.691 6.330 685 HE3 LYS 96 2HE LYS 96 -4.632 -0.460 7.647 686 HZ1 LYS 96 1HZ LYS 96 -3.386 1.958 7.378 687 HZ2 LYS 96 2HZ LYS 96 -2.194 0.843 6.939 688 HZ3 LYS 96 3HZ LYS 96 -2.949 0.723 8.448 689 H ILE 97 H ILE 97 -1.148 -3.819 4.336 690 HA ILE 97 HA ILE 97 0.303 -4.598 1.899 691 HB ILE 97 HB ILE 97 0.619 -5.861 4.624 692 HG12 ILE 97 1HG1 ILE 97 2.858 -4.767 2.966 693 HG13 ILE 97 2HG1 ILE 97 1.855 -3.653 3.889 694 HG21 ILE 97 1HG2 ILE 97 1.975 -7.516 3.653 695 HG22 ILE 97 2HG2 ILE 97 0.553 -7.421 2.615 696 HG23 ILE 97 3HG2 ILE 97 2.062 -6.659 2.114 697 HD11 ILE 97 1HD1 ILE 97 2.702 -4.323 5.867 698 HD12 ILE 97 2HD1 ILE 97 2.902 -5.995 5.343 699 HD13 ILE 97 3HD1 ILE 97 4.073 -4.771 4.853 700 H LEU 98 H LEU 98 -0.594 -6.218 0.741 701 HA LEU 98 HA LEU 98 -3.070 -7.395 1.804 702 HB2 LEU 98 1HB LEU 98 -3.031 -5.976 -0.337 703 HB3 LEU 98 2HB LEU 98 -2.259 -7.374 -1.083 704 HG LEU 98 HG LEU 98 -4.297 -8.703 -0.332 705 HD11 LEU 98 1HD1 LEU 98 -4.995 -6.790 1.238 706 HD12 LEU 98 2HD1 LEU 98 -6.248 -7.610 0.307 707 HD13 LEU 98 3HD1 LEU 98 -5.652 -6.034 -0.213 708 HD21 LEU 98 1HD2 LEU 98 -4.963 -6.534 -2.296 709 HD22 LEU 98 2HD2 LEU 98 -5.429 -8.235 -2.322 710 HD23 LEU 98 3HD2 LEU 98 -3.760 -7.772 -2.658 711 H LYS 99 H LYS 99 -2.770 -9.367 2.597 712 HA LYS 99 HA LYS 99 -0.826 -11.145 1.289 713 HB2 LYS 99 1HB LYS 99 -0.538 -10.647 3.731 714 HB3 LYS 99 2HB LYS 99 -2.075 -11.451 4.024 715 HG2 LYS 99 1HG LYS 99 -0.251 -12.952 4.500 716 HG3 LYS 99 2HG LYS 99 -1.148 -13.526 3.093 717 HD2 LYS 99 1HD LYS 99 1.393 -13.599 2.948 718 HD3 LYS 99 2HD LYS 99 0.539 -12.837 1.604 719 HE2 LYS 99 1HE LYS 99 1.357 -11.086 3.848 720 HE3 LYS 99 2HE LYS 99 2.641 -11.717 2.818 721 HZ1 LYS 99 1HZ LYS 99 0.425 -9.913 2.124 722 HZ2 LYS 99 2HZ LYS 99 1.102 -10.895 0.925 723 HZ3 LYS 99 3HZ LYS 99 2.070 -9.781 1.752 724 H LYS 100 H LYS 100 -1.936 -12.151 -0.307 725 HA LYS 100 HA LYS 100 -3.499 -13.435 -1.363 726 HB2 LYS 100 1HB LYS 100 -3.613 -14.729 1.368 727 HB3 LYS 100 2HB LYS 100 -4.197 -15.449 -0.126 728 HG2 LYS 100 1HG LYS 100 -1.366 -14.562 -0.021 729 HG3 LYS 100 2HG LYS 100 -1.820 -16.020 0.865 730 HD2 LYS 100 1HD LYS 100 -2.675 -15.674 -1.981 731 HD3 LYS 100 2HD LYS 100 -1.029 -16.197 -1.613 732 HE2 LYS 100 1HE LYS 100 -2.069 -17.997 -0.170 733 HE3 LYS 100 2HE LYS 100 -3.615 -17.557 -0.892 734 HZ1 LYS 100 1HZ LYS 100 -1.305 -18.883 -2.111 735 HZ2 LYS 100 2HZ LYS 100 -2.261 -17.890 -3.091 736 HZ3 LYS 100 3HZ LYS 100 -2.955 -19.209 -2.292 737 H GLY 101 H GLY 101 -4.440 -11.007 0.109 738 HA2 GLY 101 1HA GLY 101 -6.693 -10.190 -0.255 739 HA3 GLY 101 2HA GLY 101 -7.286 -11.775 0.218 740 H GLN 102 H GLN 102 -4.736 -10.833 2.183 741 HA GLN 102 HA GLN 102 -6.623 -10.072 4.301 742 HB2 GLN 102 1HB GLN 102 -4.044 -11.543 4.251 743 HB3 GLN 102 2HB GLN 102 -4.358 -10.539 5.660 744 HG2 GLN 102 1HG GLN 102 -6.140 -12.738 4.635 745 HG3 GLN 102 2HG GLN 102 -5.054 -12.844 6.019 746 HE21 GLN 102 1HE2 GLN 102 -8.162 -12.554 5.239 747 HE22 GLN 102 2HE2 GLN 102 -8.750 -11.649 6.588 748 H ALA 103 H ALA 103 -6.523 -8.134 5.275 749 HA ALA 103 HA ALA 103 -4.606 -6.198 4.227 750 HB1 ALA 103 1HB ALA 103 -6.103 -4.586 5.562 751 HB2 ALA 103 2HB ALA 103 -6.766 -5.337 4.110 752 HB3 ALA 103 3HB ALA 103 -7.203 -5.958 5.702 753 H VAL 104 H VAL 104 -2.728 -6.124 5.284 754 HA VAL 104 HA VAL 104 -2.701 -6.475 8.196 755 HB VAL 104 HB VAL 104 -0.456 -6.506 6.177 756 HG11 VAL 104 1HG1 VAL 104 0.158 -5.491 8.393 757 HG12 VAL 104 2HG1 VAL 104 -0.232 -7.046 9.131 758 HG13 VAL 104 3HG1 VAL 104 1.071 -6.933 7.947 759 HG21 VAL 104 1HG2 VAL 104 -0.367 -8.810 6.466 760 HG22 VAL 104 2HG2 VAL 104 -1.260 -8.755 7.986 761 HG23 VAL 104 3HG2 VAL 104 -2.100 -8.482 6.460 762 H ASP 105 H ASP 105 -2.979 -4.632 9.276 763 HA ASP 105 HA ASP 105 -2.340 -2.068 8.229 764 HB2 ASP 105 1HB ASP 105 -4.126 -2.554 9.938 765 HB3 ASP 105 2HB ASP 105 -2.842 -2.777 11.124 766 H TYR 106 H TYR 106 -0.515 -0.921 8.333 767 HA TYR 106 HA TYR 106 1.765 -2.096 9.741 768 HB2 TYR 106 1HB TYR 106 2.096 -1.596 7.378 769 HB3 TYR 106 2HB TYR 106 1.639 0.083 7.645 770 HD1 TYR 106 2HD TYR 106 4.144 -2.446 8.771 771 HD2 TYR 106 1HD TYR 106 3.299 1.656 8.023 772 HE1 TYR 106 2HE TYR 106 6.495 -1.885 9.225 773 HE2 TYR 106 1HE TYR 106 5.648 2.228 8.474 774 HH TYR 106 HH TYR 106 7.597 1.455 9.349 775 H ASP 107 H ASP 107 2.561 -1.245 11.546 776 HA ASP 107 HA ASP 107 1.974 1.563 12.179 777 HB2 ASP 107 1HB ASP 107 1.571 -0.825 13.981 778 HB3 ASP 107 2HB ASP 107 1.679 0.824 14.591 779 H GLY 108 H GLY 108 4.179 1.847 11.411 780 HA2 GLY 108 1HA GLY 108 6.066 1.576 13.606 781 HA3 GLY 108 2HA GLY 108 6.496 0.721 12.131 782 H SER 109 H SER 109 8.306 1.939 11.678 783 HA SER 109 HA SER 109 7.993 4.829 11.378 784 HB2 SER 109 1HB SER 109 10.025 3.522 12.470 785 HB3 SER 109 2HB SER 109 10.571 3.434 10.795 786 HG SER 109 HG SER 109 10.188 5.790 10.784 787 H ARG 110 H ARG 110 7.874 5.839 9.466 788 HA ARG 110 HA ARG 110 7.519 4.281 7.086 789 HB2 ARG 110 1HB ARG 110 6.383 6.531 7.822 790 HB3 ARG 110 2HB ARG 110 7.785 7.262 7.053 791 HG2 ARG 110 1HG ARG 110 7.220 5.995 4.981 792 HG3 ARG 110 2HG ARG 110 5.730 5.477 5.774 793 HD2 ARG 110 1HD ARG 110 5.321 7.405 4.348 794 HD3 ARG 110 2HD ARG 110 5.065 7.817 6.043 795 HE ARG 110 HE ARG 110 7.629 8.549 5.624 796 HH11 ARG 110 2HH1 ARG 110 4.658 9.219 3.936 797 HH12 ARG 110 1HH1 ARG 110 5.174 10.776 3.378 798 HH21 ARG 110 2HH2 ARG 110 8.319 10.597 4.895 799 HH22 ARG 110 1HH2 ARG 110 7.257 11.559 3.923 800 H THR 111 H THR 111 9.770 3.377 7.273 801 HA THR 111 HA THR 111 11.643 5.106 5.796 802 HB THR 111 HB THR 111 13.388 3.483 7.000 803 HG1 THR 111 1HG THR 111 12.604 2.562 8.733 804 HG21 THR 111 1HG2 THR 111 14.063 5.506 7.643 805 HG22 THR 111 2HG2 THR 111 12.886 5.455 8.956 806 HG23 THR 111 3HG2 THR 111 12.442 6.156 7.400 807 H GLN 112 H GLN 112 12.722 4.197 4.098 808 HA GLN 112 HA GLN 112 11.619 2.083 2.712 809 HB2 GLN 112 1HB GLN 112 13.036 3.613 1.558 810 HB3 GLN 112 2HB GLN 112 14.397 3.253 2.613 811 HG2 GLN 112 1HG GLN 112 14.817 1.218 1.597 812 HG3 GLN 112 2HG GLN 112 13.192 1.106 0.922 813 HE21 GLN 112 1HE2 GLN 112 15.720 3.595 0.831 814 HE22 GLN 112 2HE2 GLN 112 15.767 3.727 -0.890 815 H GLU 113 H GLU 113 13.892 2.026 5.322 816 HA GLU 113 HA GLU 113 14.762 -0.681 4.846 817 HB2 GLU 113 1HB GLU 113 16.148 -0.427 6.713 818 HB3 GLU 113 2HB GLU 113 16.084 1.187 6.019 819 HG2 GLU 113 1HG GLU 113 14.560 1.931 7.683 820 HG3 GLU 113 2HG GLU 113 14.324 0.291 8.283 821 H GLU 114 H GLU 114 12.510 0.967 7.014 822 HA GLU 114 HA GLU 114 11.811 -1.399 8.460 823 HB2 GLU 114 1HB GLU 114 10.782 1.405 8.335 824 HB3 GLU 114 2HB GLU 114 9.778 0.166 9.075 825 HG2 GLU 114 1HG GLU 114 12.568 0.932 9.901 826 HG3 GLU 114 2HG GLU 114 11.075 1.321 10.753 827 H ILE 115 H ILE 115 9.821 0.655 6.325 828 HA ILE 115 HA ILE 115 7.658 -0.964 5.993 829 HB ILE 115 HB ILE 115 8.966 0.674 3.818 830 HG12 ILE 115 1HG1 ILE 115 6.663 1.471 5.594 831 HG13 ILE 115 2HG1 ILE 115 8.336 1.814 6.021 832 HG21 ILE 115 1HG2 ILE 115 6.103 0.502 3.672 833 HG22 ILE 115 2HG2 ILE 115 7.312 0.093 2.457 834 HG23 ILE 115 3HG2 ILE 115 6.817 -1.110 3.647 835 HD11 ILE 115 1HD1 ILE 115 8.554 3.418 4.432 836 HD12 ILE 115 2HD1 ILE 115 7.398 2.655 3.340 837 HD13 ILE 115 3HD1 ILE 115 6.824 3.557 4.743 838 H VAL 116 H VAL 116 10.681 -1.115 4.134 839 HA VAL 116 HA VAL 116 9.918 -3.200 2.410 840 HB VAL 116 HB VAL 116 12.613 -2.243 3.345 841 HG11 VAL 116 1HG1 VAL 116 12.069 -4.396 1.303 842 HG12 VAL 116 2HG1 VAL 116 13.644 -3.700 1.688 843 HG13 VAL 116 3HG1 VAL 116 12.777 -4.646 2.898 844 HG21 VAL 116 1HG2 VAL 116 12.798 -1.318 1.150 845 HG22 VAL 116 2HG2 VAL 116 11.335 -2.145 0.618 846 HG23 VAL 116 3HG2 VAL 116 11.229 -0.842 1.801 847 H ALA 117 H ALA 117 11.271 -3.201 5.649 848 HA ALA 117 HA ALA 117 11.944 -5.945 5.765 849 HB1 ALA 117 1HB ALA 117 12.975 -4.796 7.444 850 HB2 ALA 117 2HB ALA 117 11.574 -3.768 7.753 851 HB3 ALA 117 3HB ALA 117 11.591 -5.434 8.333 852 H LYS 118 H LYS 118 9.086 -4.166 6.927 853 HA LYS 118 HA LYS 118 7.698 -6.401 7.912 854 HB2 LYS 118 1HB LYS 118 6.933 -4.294 8.632 855 HB3 LYS 118 2HB LYS 118 6.826 -3.674 6.990 856 HG2 LYS 118 1HG LYS 118 4.613 -4.009 7.621 857 HG3 LYS 118 2HG LYS 118 4.997 -5.428 6.643 858 HD2 LYS 118 1HD LYS 118 3.883 -6.302 8.505 859 HD3 LYS 118 2HD LYS 118 5.592 -6.560 8.867 860 HE2 LYS 118 1HE LYS 118 4.923 -5.664 10.853 861 HE3 LYS 118 2HE LYS 118 5.334 -4.180 9.996 862 HZ1 LYS 118 1HZ LYS 118 3.277 -3.613 10.689 863 HZ2 LYS 118 2HZ LYS 118 2.726 -5.209 10.781 864 HZ3 LYS 118 3HZ LYS 118 2.803 -4.428 9.283 865 H VAL 119 H VAL 119 7.951 -5.027 4.703 866 HA VAL 119 HA VAL 119 5.795 -6.528 3.574 867 HB VAL 119 HB VAL 119 8.067 -4.976 2.352 868 HG11 VAL 119 1HG1 VAL 119 5.860 -6.414 0.882 869 HG12 VAL 119 2HG1 VAL 119 7.078 -5.358 0.164 870 HG13 VAL 119 3HG1 VAL 119 7.558 -6.888 0.899 871 HG21 VAL 119 1HG2 VAL 119 5.857 -3.803 1.452 872 HG22 VAL 119 2HG2 VAL 119 5.196 -4.504 2.930 873 HG23 VAL 119 3HG2 VAL 119 6.567 -3.397 3.014 874 H ARG 120 H ARG 120 9.280 -6.966 3.845 875 HA ARG 120 HA ARG 120 9.284 -9.342 2.209 876 HB2 ARG 120 1HB ARG 120 11.600 -9.352 2.455 877 HB3 ARG 120 2HB ARG 120 11.207 -7.640 2.541 878 HG2 ARG 120 1HG ARG 120 11.382 -7.683 4.951 879 HG3 ARG 120 2HG ARG 120 11.667 -9.424 4.922 880 HD2 ARG 120 1HD ARG 120 13.806 -9.201 4.146 881 HD3 ARG 120 2HD ARG 120 13.459 -7.688 3.309 882 HE ARG 120 HE ARG 120 14.161 -6.584 5.171 883 HH11 ARG 120 2HH1 ARG 120 13.193 -9.796 6.100 884 HH12 ARG 120 1HH1 ARG 120 13.677 -9.605 7.752 885 HH21 ARG 120 2HH2 ARG 120 14.802 -6.319 7.344 886 HH22 ARG 120 1HH2 ARG 120 14.591 -7.626 8.459 887 H GLU 121 H GLU 121 9.032 -8.553 5.586 888 HA GLU 121 HA GLU 121 9.638 -11.186 6.545 889 HB2 GLU 121 1HB GLU 121 9.405 -10.318 8.647 890 HB3 GLU 121 2HB GLU 121 9.681 -8.826 7.758 891 HG2 GLU 121 1HG GLU 121 7.216 -8.529 7.619 892 HG3 GLU 121 2HG GLU 121 7.037 -9.934 8.668 893 H VAL 122 H VAL 122 6.707 -9.378 5.795 894 HA VAL 122 HA VAL 122 4.907 -11.349 6.804 895 HB VAL 122 HB VAL 122 4.400 -9.137 4.809 896 HG11 VAL 122 1HG1 VAL 122 2.784 -11.231 5.182 897 HG12 VAL 122 2HG1 VAL 122 2.245 -10.221 6.524 898 HG13 VAL 122 3HG1 VAL 122 2.181 -9.603 4.873 899 HG21 VAL 122 1HG2 VAL 122 3.506 -8.981 7.633 900 HG22 VAL 122 2HG2 VAL 122 5.220 -8.723 7.304 901 HG23 VAL 122 3HG2 VAL 122 4.010 -7.699 6.531 902 H SER 123 H SER 123 5.994 -10.469 3.534 903 HA SER 123 HA SER 123 4.534 -12.096 1.948 904 HB2 SER 123 1HB SER 123 6.322 -12.093 0.373 905 HB3 SER 123 2HB SER 123 6.461 -10.580 1.268 906 HG SER 123 HG SER 123 8.206 -11.336 2.312 907 H GLN 124 H GLN 124 7.323 -13.098 3.890 908 HA GLN 124 HA GLN 124 7.680 -15.680 3.070 909 HB2 GLN 124 1HB GLN 124 7.683 -14.787 5.957 910 HB3 GLN 124 2HB GLN 124 8.533 -16.174 5.287 911 HG2 GLN 124 1HG GLN 124 9.106 -13.261 4.856 912 HG3 GLN 124 2HG GLN 124 10.143 -14.484 5.589 913 HE21 GLN 124 1HE2 GLN 124 9.662 -12.705 2.889 914 HE22 GLN 124 2HE2 GLN 124 10.456 -13.707 1.727 915 HA PRO 125 HA PRO 125 3.915 -17.819 3.879 916 HB2 PRO 125 1HB PRO 125 4.885 -20.355 3.902 917 HB3 PRO 125 2HB PRO 125 4.690 -19.414 2.418 918 HG2 PRO 125 1HG PRO 125 7.156 -19.895 4.046 919 HG3 PRO 125 2HG PRO 125 6.956 -19.918 2.284 920 HD2 PRO 125 1HD PRO 125 8.004 -17.799 3.603 921 HD3 PRO 125 2HD PRO 125 7.050 -17.621 2.117 922 H ASP 126 H ASP 126 6.715 -18.132 5.925 923 HA ASP 126 HA ASP 126 5.417 -19.670 7.968 924 HB2 ASP 126 1HB ASP 126 8.032 -18.203 7.774 925 HB3 ASP 126 2HB ASP 126 7.473 -18.835 9.320 926 H TRP 127 H TRP 127 5.995 -16.262 7.351 927 HA TRP 127 HA TRP 127 5.330 -15.227 9.859 928 HB2 TRP 127 1HB TRP 127 6.335 -13.798 8.212 929 HB3 TRP 127 2HB TRP 127 5.000 -14.059 7.092 930 HD1 TRP 127 HD TRP 127 6.075 -11.902 9.993 931 HE1 TRP 127 1HE TRP 127 4.275 -10.119 10.447 932 HE3 TRP 127 3HE TRP 127 2.365 -13.707 6.974 933 HZ2 TRP 127 2HZ TRP 127 1.632 -9.554 9.634 934 HZ3 TRP 127 3HZ TRP 127 0.231 -12.487 6.869 935 HH2 TRP 127 HH TRP 127 -0.126 -10.453 8.173 936 H THR 128 H THR 128 3.396 -14.303 10.659 937 HA THR 128 HA THR 128 0.913 -15.057 9.301 938 HB THR 128 HB THR 128 -0.046 -15.868 11.459 939 HG1 THR 128 1HG THR 128 2.610 -16.171 12.380 940 HG21 THR 128 1HG2 THR 128 2.351 -17.396 10.433 941 HG22 THR 128 2HG2 THR 128 0.717 -17.460 9.773 942 HG23 THR 128 3HG2 THR 128 1.038 -18.073 11.395 943 HA PRO 129 HA PRO 129 -0.492 -11.099 10.590 944 HB2 PRO 129 1HB PRO 129 -3.163 -11.545 10.781 945 HB3 PRO 129 2HB PRO 129 -2.313 -11.444 9.234 946 HG2 PRO 129 1HG PRO 129 -3.165 -13.867 10.771 947 HG3 PRO 129 2HG PRO 129 -3.276 -13.551 9.030 948 HD2 PRO 129 1HD PRO 129 -1.323 -15.084 10.111 949 HD3 PRO 129 2HD PRO 129 -1.065 -14.088 8.664 950 HA PRO 130 HA PRO 130 -0.654 -11.271 15.018 951 HB2 PRO 130 1HB PRO 130 -1.136 -8.635 15.451 952 HB3 PRO 130 2HB PRO 130 0.449 -9.256 14.975 953 HG2 PRO 130 1HG PRO 130 -1.671 -7.982 13.288 954 HG3 PRO 130 2HG PRO 130 0.084 -7.724 13.264 955 HD2 PRO 130 1HD PRO 130 -1.182 -9.301 11.463 956 HD3 PRO 130 2HD PRO 130 0.472 -9.625 12.019 957 HA PRO 131 HA PRO 131 -4.894 -11.515 16.171 958 HB2 PRO 131 1HB PRO 131 -4.753 -10.893 18.810 959 HB3 PRO 131 2HB PRO 131 -4.178 -12.430 18.153 960 HG2 PRO 131 1HG PRO 131 -2.620 -9.977 18.874 961 HG3 PRO 131 2HG PRO 131 -2.235 -11.680 19.188 962 HD2 PRO 131 1HD PRO 131 -1.112 -10.282 17.159 963 HD3 PRO 131 2HD PRO 131 -1.439 -12.023 17.052 964 H GLU 132 H GLU 132 -3.325 -8.639 15.858 965 HA GLU 132 HA GLU 132 -5.141 -6.875 17.181 966 HB2 GLU 132 1HB GLU 132 -2.786 -6.286 16.613 967 HB3 GLU 132 2HB GLU 132 -3.238 -6.264 14.914 968 HG2 GLU 132 1HG GLU 132 -4.513 -4.347 15.141 969 HG3 GLU 132 2HG GLU 132 -4.691 -4.552 16.883 970 H VAL 133 H VAL 133 -6.991 -8.221 16.161 971 HA VAL 133 HA VAL 133 -7.663 -7.431 13.448 972 HB VAL 133 HB VAL 133 -9.136 -9.149 15.447 973 HG11 VAL 133 1HG1 VAL 133 -10.105 -7.834 13.100 974 HG12 VAL 133 2HG1 VAL 133 -10.103 -9.579 12.837 975 HG13 VAL 133 3HG1 VAL 133 -10.965 -8.895 14.216 976 HG21 VAL 133 1HG2 VAL 133 -8.114 -10.195 12.873 977 HG22 VAL 133 2HG2 VAL 133 -6.920 -9.819 14.115 978 HG23 VAL 133 3HG2 VAL 133 -8.212 -10.971 14.453 979 H THR 134 H THR 134 -7.851 -5.153 13.822 980 HA THR 134 HA THR 134 -10.036 -4.261 15.537 981 HB THR 134 HB THR 134 -8.278 -2.505 13.827 982 HG1 THR 134 1HG THR 134 -7.647 -3.953 16.075 983 HG21 THR 134 1HG2 THR 134 -8.944 -0.751 15.243 984 HG22 THR 134 2HG2 THR 134 -9.565 -1.859 16.466 985 HG23 THR 134 3HG2 THR 134 -10.425 -1.659 14.940 986 H SER 135 H SER 135 -11.941 -3.453 14.823 987 HA SER 135 HA SER 135 -13.190 -4.226 12.586 988 HB2 SER 135 1HB SER 135 -14.765 -2.446 12.867 989 HB3 SER 135 2HB SER 135 -14.169 -2.854 14.475 990 HG SER 135 HG SER 135 -14.210 -0.500 13.472 991 H GLY 136 H GLY 136 -13.569 -3.472 10.486 992 HA2 GLY 136 1HA GLY 136 -12.553 -1.155 9.330 993 HA3 GLY 136 2HA GLY 136 -11.309 -2.385 9.164 994 HA PRO 137 HA PRO 137 -13.249 -3.749 5.474 995 HB2 PRO 137 1HB PRO 137 -12.408 -6.329 5.417 996 HB3 PRO 137 2HB PRO 137 -11.339 -4.963 5.079 997 HG2 PRO 137 1HG PRO 137 -11.660 -6.537 7.605 998 HG3 PRO 137 2HG PRO 137 -10.174 -5.967 6.824 999 HD2 PRO 137 1HD PRO 137 -11.284 -4.699 8.943 1000 HD3 PRO 137 2HD PRO 137 -10.397 -3.836 7.671 1001 H SER 138 H SER 138 -15.419 -3.543 6.402 1002 HA SER 138 HA SER 138 -16.807 -6.057 6.348 1003 HB2 SER 138 1HB SER 138 -16.631 -4.469 8.909 1004 HB3 SER 138 2HB SER 138 -17.946 -5.599 8.588 1005 HG SER 138 HG SER 138 -15.187 -6.135 8.865 1006 H SER 139 H SER 139 -18.639 -5.732 5.285 1007 HA SER 139 HA SER 139 -19.624 -3.008 4.959 1008 HB2 SER 139 1HB SER 139 -20.399 -5.583 3.568 1009 HB3 SER 139 2HB SER 139 -21.051 -3.992 3.178 1010 HG SER 139 HG SER 139 -19.386 -3.806 1.923 1011 H GLY 140 H GLY 140 -20.905 -6.211 5.849 1012 HA2 GLY 140 1HA GLY 140 -22.407 -5.439 8.015 1013 HA3 GLY 140 2HA GLY 140 -23.456 -5.175 6.630 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.717 -28.892 -17.993 2 HA2 GLY 1 1HA GLY 1 0.574 -26.694 -17.877 3 HA3 GLY 1 2HA GLY 1 1.099 -27.121 -19.499 4 H SER 2 H SER 2 -0.724 -24.985 -18.134 5 HA SER 2 HA SER 2 -3.060 -25.318 -19.885 6 HB2 SER 2 1HB SER 2 -3.235 -24.855 -17.326 7 HB3 SER 2 2HB SER 2 -2.834 -23.195 -17.769 8 HG SER 2 HG SER 2 -4.672 -23.776 -19.435 9 H SER 3 H SER 3 -2.203 -24.621 -21.830 10 HA SER 3 HA SER 3 -1.159 -21.876 -21.921 11 HB2 SER 3 1HB SER 3 -0.231 -22.448 -24.097 12 HB3 SER 3 2HB SER 3 0.255 -23.664 -22.916 13 HG SER 3 HG SER 3 -1.450 -24.983 -23.714 14 H GLY 4 H GLY 4 -2.451 -20.306 -22.601 15 HA2 GLY 4 1HA GLY 4 -3.848 -19.794 -24.714 16 HA3 GLY 4 2HA GLY 4 -4.898 -21.043 -24.060 17 H SER 5 H SER 5 -3.495 -17.869 -23.387 18 HA SER 5 HA SER 5 -5.922 -17.211 -21.872 19 HB2 SER 5 1HB SER 5 -3.848 -17.761 -20.410 20 HB3 SER 5 2HB SER 5 -3.238 -16.201 -20.961 21 HG SER 5 HG SER 5 -5.222 -15.291 -20.150 22 H SER 6 H SER 6 -6.869 -15.485 -22.707 23 HA SER 6 HA SER 6 -5.488 -13.098 -23.366 24 HB2 SER 6 1HB SER 6 -4.889 -14.506 -25.348 25 HB3 SER 6 2HB SER 6 -6.606 -14.619 -25.732 26 HG SER 6 HG SER 6 -5.064 -12.804 -26.603 27 H GLY 7 H GLY 7 -6.996 -11.480 -24.418 28 HA2 GLY 7 1HA GLY 7 -9.747 -11.854 -24.642 29 HA3 GLY 7 2HA GLY 7 -9.428 -11.415 -22.970 30 H ASP 8 H ASP 8 -10.776 -9.542 -23.490 31 HA ASP 8 HA ASP 8 -9.742 -7.570 -25.316 32 HB2 ASP 8 1HB ASP 8 -11.908 -7.243 -23.232 33 HB3 ASP 8 2HB ASP 8 -11.617 -6.209 -24.628 34 H ASP 9 H ASP 9 -8.866 -5.557 -24.788 35 HA ASP 9 HA ASP 9 -7.411 -5.530 -22.263 36 HB2 ASP 9 1HB ASP 9 -6.065 -3.775 -23.248 37 HB3 ASP 9 2HB ASP 9 -6.221 -5.095 -24.404 38 H ASP 10 H ASP 10 -8.849 -4.905 -20.705 39 HA ASP 10 HA ASP 10 -9.951 -2.187 -20.989 40 HB2 ASP 10 1HB ASP 10 -11.664 -4.075 -21.074 41 HB3 ASP 10 2HB ASP 10 -11.269 -4.374 -19.384 42 H LEU 11 H LEU 11 -9.365 -4.657 -18.478 43 HA LEU 11 HA LEU 11 -8.832 -2.650 -16.492 44 HB2 LEU 11 1HB LEU 11 -8.239 -5.586 -16.263 45 HB3 LEU 11 2HB LEU 11 -8.563 -4.436 -14.967 46 HG LEU 11 HG LEU 11 -10.666 -5.134 -16.992 47 HD11 LEU 11 1HD1 LEU 11 -11.153 -7.100 -16.044 48 HD12 LEU 11 2HD1 LEU 11 -10.822 -6.508 -14.416 49 HD13 LEU 11 3HD1 LEU 11 -9.496 -7.052 -15.443 50 HD21 LEU 11 1HD2 LEU 11 -10.856 -4.233 -14.121 51 HD22 LEU 11 2HD2 LEU 11 -12.177 -4.394 -15.279 52 HD23 LEU 11 3HD2 LEU 11 -10.942 -3.155 -15.514 53 H GLU 12 H GLU 12 -7.062 -1.497 -17.328 54 HA GLU 12 HA GLU 12 -4.533 -2.978 -17.525 55 HB2 GLU 12 1HB GLU 12 -3.663 -1.134 -18.785 56 HB3 GLU 12 2HB GLU 12 -5.231 -1.555 -19.458 57 HG2 GLU 12 1HG GLU 12 -6.236 0.300 -18.170 58 HG3 GLU 12 2HG GLU 12 -4.620 0.753 -17.628 59 H VAL 13 H VAL 13 -2.587 -1.861 -16.670 60 HA VAL 13 HA VAL 13 -3.124 -0.099 -14.393 61 HB VAL 13 HB VAL 13 -1.535 -2.661 -14.192 62 HG11 VAL 13 1HG1 VAL 13 -0.671 -0.588 -12.955 63 HG12 VAL 13 2HG1 VAL 13 -2.103 -0.764 -11.939 64 HG13 VAL 13 3HG1 VAL 13 -0.914 -2.064 -12.021 65 HG21 VAL 13 1HG2 VAL 13 -4.038 -2.851 -14.134 66 HG22 VAL 13 2HG2 VAL 13 -3.214 -3.430 -12.687 67 HG23 VAL 13 3HG2 VAL 13 -4.012 -1.858 -12.677 68 H LYS 14 H LYS 14 -1.820 1.593 -14.515 69 HA LYS 14 HA LYS 14 0.552 1.496 -16.183 70 HB2 LYS 14 1HB LYS 14 -0.749 3.762 -14.663 71 HB3 LYS 14 2HB LYS 14 0.671 3.941 -15.685 72 HG2 LYS 14 1HG LYS 14 -0.785 2.953 -17.548 73 HG3 LYS 14 2HG LYS 14 -2.146 3.304 -16.480 74 HD2 LYS 14 1HD LYS 14 -1.579 5.644 -16.447 75 HD3 LYS 14 2HD LYS 14 -0.099 5.339 -17.359 76 HE2 LYS 14 1HE LYS 14 -1.755 6.212 -18.859 77 HE3 LYS 14 2HE LYS 14 -1.499 4.510 -19.238 78 HZ1 LYS 14 1HZ LYS 14 -3.693 4.313 -19.081 79 HZ2 LYS 14 2HZ LYS 14 -3.877 5.837 -18.372 80 HZ3 LYS 14 3HZ LYS 14 -3.521 4.493 -17.408 81 H GLU 15 H GLU 15 2.410 3.010 -15.177 82 HA GLU 15 HA GLU 15 2.900 2.482 -12.380 83 HB2 GLU 15 1HB GLU 15 4.645 0.984 -12.550 84 HB3 GLU 15 2HB GLU 15 3.595 0.420 -13.842 85 HG2 GLU 15 1HG GLU 15 4.975 1.876 -15.396 86 HG3 GLU 15 2HG GLU 15 6.121 2.021 -14.064 87 H GLU 16 H GLU 16 4.510 3.776 -11.504 88 HA GLU 16 HA GLU 16 5.839 5.640 -13.353 89 HB2 GLU 16 1HB GLU 16 5.503 7.308 -11.339 90 HB3 GLU 16 2HB GLU 16 4.246 7.086 -12.548 91 HG2 GLU 16 1HG GLU 16 2.858 5.996 -11.115 92 HG3 GLU 16 2HG GLU 16 4.182 5.340 -10.154 93 H ASN 17 H ASN 17 7.947 5.284 -13.180 94 HA ASN 17 HA ASN 17 10.019 4.921 -12.316 95 HB2 ASN 17 1HB ASN 17 8.868 5.960 -9.721 96 HB3 ASN 17 2HB ASN 17 10.561 5.950 -10.204 97 HD21 ASN 17 1HD2 ASN 17 8.149 7.954 -9.700 98 HD22 ASN 17 2HD2 ASN 17 8.451 9.159 -10.900 99 H GLY 18 H GLY 18 7.924 2.838 -12.126 100 HA2 GLY 18 1HA GLY 18 8.342 0.576 -11.521 101 HA3 GLY 18 2HA GLY 18 9.319 1.146 -10.176 102 H VAL 19 H VAL 19 6.737 3.083 -10.046 103 HA VAL 19 HA VAL 19 5.438 1.403 -8.035 104 HB VAL 19 HB VAL 19 5.154 4.356 -8.603 105 HG11 VAL 19 1HG1 VAL 19 3.324 4.370 -7.348 106 HG12 VAL 19 2HG1 VAL 19 3.392 2.609 -7.253 107 HG13 VAL 19 3HG1 VAL 19 4.197 3.591 -6.028 108 HG21 VAL 19 1HG2 VAL 19 7.323 3.478 -7.600 109 HG22 VAL 19 2HG2 VAL 19 6.486 4.744 -6.702 110 HG23 VAL 19 3HG2 VAL 19 6.368 3.065 -6.176 111 H TRP 20 H TRP 20 3.899 0.137 -8.877 112 HA TRP 20 HA TRP 20 2.401 0.740 -11.195 113 HB2 TRP 20 1HB TRP 20 1.777 -1.231 -8.985 114 HB3 TRP 20 2HB TRP 20 1.037 -1.211 -10.583 115 HD1 TRP 20 HD TRP 20 4.004 -2.533 -8.724 116 HE1 TRP 20 1HE TRP 20 5.542 -3.820 -10.336 117 HE3 TRP 20 3HE TRP 20 1.891 -1.124 -13.161 118 HZ2 TRP 20 2HZ TRP 20 5.824 -4.190 -13.120 119 HZ3 TRP 20 3HZ TRP 20 2.855 -1.989 -15.253 120 HH2 TRP 20 HH TRP 20 4.781 -3.489 -15.231 121 H VAL 21 H VAL 21 0.223 1.327 -11.431 122 HA VAL 21 HA VAL 21 -0.893 2.764 -9.114 123 HB VAL 21 HB VAL 21 -1.341 3.298 -12.054 124 HG11 VAL 21 1HG1 VAL 21 -2.739 5.082 -11.458 125 HG12 VAL 21 2HG1 VAL 21 -3.258 3.750 -10.424 126 HG13 VAL 21 3HG1 VAL 21 -2.234 5.029 -9.770 127 HG21 VAL 21 1HG2 VAL 21 0.489 4.550 -11.967 128 HG22 VAL 21 2HG2 VAL 21 -0.251 5.526 -10.698 129 HG23 VAL 21 3HG2 VAL 21 0.727 4.122 -10.272 130 H LEU 22 H LEU 22 -2.230 1.272 -8.208 131 HA LEU 22 HA LEU 22 -4.087 -0.206 -9.907 132 HB2 LEU 22 1HB LEU 22 -3.570 -0.361 -6.941 133 HB3 LEU 22 2HB LEU 22 -4.674 -1.403 -7.837 134 HG LEU 22 HG LEU 22 -1.691 -1.283 -8.270 135 HD11 LEU 22 1HD1 LEU 22 -3.406 -3.155 -6.660 136 HD12 LEU 22 2HD1 LEU 22 -2.014 -2.214 -6.125 137 HD13 LEU 22 3HD1 LEU 22 -1.788 -3.576 -7.222 138 HD21 LEU 22 1HD2 LEU 22 -1.966 -3.142 -9.702 139 HD22 LEU 22 2HD2 LEU 22 -3.173 -1.958 -10.203 140 HD23 LEU 22 3HD2 LEU 22 -3.653 -3.350 -9.231 141 H ASN 23 H ASN 23 -6.377 -0.382 -9.148 142 HA ASN 23 HA ASN 23 -7.434 1.824 -7.620 143 HB2 ASN 23 1HB ASN 23 -9.015 2.285 -9.718 144 HB3 ASN 23 2HB ASN 23 -7.492 3.141 -9.494 145 HD21 ASN 23 1HD2 ASN 23 -9.044 0.470 -11.155 146 HD22 ASN 23 2HD2 ASN 23 -7.927 0.395 -12.471 147 H ASP 24 H ASP 24 -9.867 1.714 -7.531 148 HA ASP 24 HA ASP 24 -10.714 -0.792 -6.701 149 HB2 ASP 24 1HB ASP 24 -11.879 1.185 -5.975 150 HB3 ASP 24 2HB ASP 24 -12.328 1.589 -7.629 151 H GLY 25 H GLY 25 -10.290 0.338 -9.863 152 HA2 GLY 25 1HA GLY 25 -12.247 -1.501 -11.016 153 HA3 GLY 25 2HA GLY 25 -11.281 -0.327 -11.897 154 H ASN 26 H ASN 26 -8.843 -1.295 -10.404 155 HA ASN 26 HA ASN 26 -8.489 -3.872 -11.780 156 HB2 ASN 26 1HB ASN 26 -6.355 -3.229 -12.614 157 HB3 ASN 26 2HB ASN 26 -7.453 -1.911 -13.013 158 HD21 ASN 26 1HD2 ASN 26 -6.122 -0.211 -13.033 159 HD22 ASN 26 2HD2 ASN 26 -5.161 0.306 -11.694 160 H PHE 27 H PHE 27 -8.865 -2.788 -8.906 161 HA PHE 27 HA PHE 27 -6.458 -3.408 -7.521 162 HB2 PHE 27 1HB PHE 27 -8.283 -1.944 -6.628 163 HB3 PHE 27 2HB PHE 27 -9.272 -3.385 -6.417 164 HD1 PHE 27 2HD PHE 27 -8.705 -5.044 -4.720 165 HD2 PHE 27 1HD PHE 27 -6.466 -1.450 -5.151 166 HE1 PHE 27 2HE PHE 27 -7.711 -5.401 -2.498 167 HE2 PHE 27 1HE PHE 27 -5.467 -1.802 -2.930 168 HZ PHE 27 HZ PHE 27 -6.090 -3.778 -1.600 169 H ASP 28 H ASP 28 -9.588 -5.110 -7.382 170 HA ASP 28 HA ASP 28 -8.602 -7.460 -6.253 171 HB2 ASP 28 1HB ASP 28 -11.069 -6.734 -7.767 172 HB3 ASP 28 2HB ASP 28 -10.725 -8.442 -7.508 173 H ASN 29 H ASN 29 -9.055 -6.583 -9.654 174 HA ASN 29 HA ASN 29 -8.409 -9.052 -10.793 175 HB2 ASN 29 1HB ASN 29 -8.300 -6.217 -11.758 176 HB3 ASN 29 2HB ASN 29 -7.603 -7.495 -12.750 177 HD21 ASN 29 1HD2 ASN 29 -8.908 -8.723 -13.955 178 HD22 ASN 29 2HD2 ASN 29 -10.634 -8.640 -13.941 179 H PHE 30 H PHE 30 -6.348 -6.359 -9.801 180 HA PHE 30 HA PHE 30 -3.935 -7.451 -10.823 181 HB2 PHE 30 1HB PHE 30 -4.294 -5.035 -10.266 182 HB3 PHE 30 2HB PHE 30 -4.249 -5.470 -8.561 183 HD1 PHE 30 1HD PHE 30 -2.279 -5.204 -11.648 184 HD2 PHE 30 2HD PHE 30 -2.189 -5.965 -7.461 185 HE1 PHE 30 1HE PHE 30 0.172 -4.984 -11.664 186 HE2 PHE 30 2HE PHE 30 0.261 -5.745 -7.470 187 HZ PHE 30 HZ PHE 30 1.445 -5.253 -9.573 188 H VAL 31 H VAL 31 -4.975 -7.064 -7.431 189 HA VAL 31 HA VAL 31 -3.012 -8.737 -6.338 190 HB VAL 31 HB VAL 31 -4.263 -8.713 -4.305 191 HG11 VAL 31 1HG1 VAL 31 -3.399 -6.618 -4.381 192 HG12 VAL 31 2HG1 VAL 31 -4.169 -6.237 -5.922 193 HG13 VAL 31 3HG1 VAL 31 -5.107 -6.181 -4.429 194 HG21 VAL 31 1HG2 VAL 31 -6.592 -7.935 -4.194 195 HG22 VAL 31 2HG2 VAL 31 -6.629 -7.822 -5.953 196 HG23 VAL 31 3HG2 VAL 31 -6.428 -9.392 -5.175 197 H ALA 32 H ALA 32 -5.642 -9.539 -8.257 198 HA ALA 32 HA ALA 32 -6.498 -11.975 -7.140 199 HB1 ALA 32 1HB ALA 32 -6.670 -12.159 -9.958 200 HB2 ALA 32 2HB ALA 32 -7.950 -11.780 -8.805 201 HB3 ALA 32 3HB ALA 32 -6.988 -10.482 -9.513 202 H ASP 33 H ASP 33 -4.048 -11.296 -9.629 203 HA ASP 33 HA ASP 33 -3.134 -14.073 -9.455 204 HB2 ASP 33 1HB ASP 33 -1.840 -13.583 -11.479 205 HB3 ASP 33 2HB ASP 33 -3.539 -13.174 -11.704 206 H LYS 34 H LYS 34 -2.631 -12.418 -7.234 207 HA LYS 34 HA LYS 34 0.267 -12.593 -7.160 208 HB2 LYS 34 1HB LYS 34 -1.226 -10.018 -6.650 209 HB3 LYS 34 2HB LYS 34 0.431 -10.298 -6.132 210 HG2 LYS 34 1HG LYS 34 0.997 -10.744 -8.539 211 HG3 LYS 34 2HG LYS 34 -0.622 -10.170 -8.945 212 HD2 LYS 34 1HD LYS 34 -0.155 -8.003 -8.057 213 HD3 LYS 34 2HD LYS 34 1.370 -8.555 -7.361 214 HE2 LYS 34 1HE LYS 34 1.777 -7.281 -9.386 215 HE3 LYS 34 2HE LYS 34 2.237 -8.967 -9.621 216 HZ1 LYS 34 1HZ LYS 34 -0.484 -8.255 -10.365 217 HZ2 LYS 34 2HZ LYS 34 0.611 -9.295 -11.127 218 HZ3 LYS 34 3HZ LYS 34 0.743 -7.622 -11.342 219 H ASP 35 H ASP 35 1.007 -13.214 -5.205 220 HA ASP 35 HA ASP 35 -0.913 -13.935 -3.195 221 HB2 ASP 35 1HB ASP 35 2.106 -14.085 -3.072 222 HB3 ASP 35 2HB ASP 35 0.970 -14.926 -2.021 223 H THR 36 H THR 36 1.963 -11.826 -3.195 224 HA THR 36 HA THR 36 0.715 -10.298 -1.004 225 HB THR 36 HB THR 36 3.674 -10.744 -1.446 226 HG1 THR 36 1HG THR 36 1.746 -11.972 0.176 227 HG21 THR 36 1HG2 THR 36 3.703 -9.719 0.928 228 HG22 THR 36 2HG2 THR 36 2.110 -9.089 0.508 229 HG23 THR 36 3HG2 THR 36 3.518 -8.639 -0.453 230 H VAL 37 H VAL 37 0.114 -8.347 -1.654 231 HA VAL 37 HA VAL 37 1.779 -6.950 -3.647 232 HB VAL 37 HB VAL 37 -1.222 -6.761 -3.348 233 HG11 VAL 37 1HG1 VAL 37 -0.334 -4.639 -4.023 234 HG12 VAL 37 2HG1 VAL 37 0.693 -5.401 -5.239 235 HG13 VAL 37 3HG1 VAL 37 -1.061 -5.408 -5.433 236 HG21 VAL 37 1HG2 VAL 37 -0.324 -7.596 -5.935 237 HG22 VAL 37 2HG2 VAL 37 0.348 -8.664 -4.704 238 HG23 VAL 37 3HG2 VAL 37 -1.396 -8.427 -4.809 239 H LEU 38 H LEU 38 2.611 -5.087 -2.979 240 HA LEU 38 HA LEU 38 1.826 -3.996 -0.418 241 HB2 LEU 38 1HB LEU 38 4.157 -4.085 -0.832 242 HB3 LEU 38 2HB LEU 38 3.977 -3.299 -2.399 243 HG LEU 38 HG LEU 38 3.392 -1.201 -1.271 244 HD11 LEU 38 1HD1 LEU 38 4.268 -1.666 1.352 245 HD12 LEU 38 2HD1 LEU 38 3.104 -2.939 0.990 246 HD13 LEU 38 3HD1 LEU 38 2.642 -1.246 0.814 247 HD21 LEU 38 1HD2 LEU 38 5.612 -1.092 -1.706 248 HD22 LEU 38 2HD2 LEU 38 5.967 -2.597 -0.857 249 HD23 LEU 38 3HD2 LEU 38 5.712 -1.108 0.055 250 H LEU 39 H LEU 39 0.406 -2.415 -0.134 251 HA LEU 39 HA LEU 39 -0.190 -0.636 -2.407 252 HB2 LEU 39 1HB LEU 39 -2.194 -1.294 -0.283 253 HB3 LEU 39 2HB LEU 39 -2.464 -0.648 -1.901 254 HG LEU 39 HG LEU 39 -1.368 -3.408 -1.614 255 HD11 LEU 39 1HD1 LEU 39 -4.286 -2.708 -1.327 256 HD12 LEU 39 2HD1 LEU 39 -3.247 -3.319 -0.040 257 HD13 LEU 39 3HD1 LEU 39 -3.604 -4.331 -1.439 258 HD21 LEU 39 1HD2 LEU 39 -3.435 -2.407 -3.539 259 HD22 LEU 39 2HD2 LEU 39 -2.297 -3.743 -3.720 260 HD23 LEU 39 3HD2 LEU 39 -1.721 -2.077 -3.792 261 H GLU 40 H GLU 40 -0.261 1.522 -2.025 262 HA GLU 40 HA GLU 40 -0.025 2.434 0.760 263 HB2 GLU 40 1HB GLU 40 2.215 2.457 -0.172 264 HB3 GLU 40 2HB GLU 40 1.655 3.348 -1.580 265 HG2 GLU 40 1HG GLU 40 1.272 4.519 1.132 266 HG3 GLU 40 2HG GLU 40 2.864 4.573 0.378 267 H PHE 41 H PHE 41 -1.607 3.798 1.222 268 HA PHE 41 HA PHE 41 -3.065 5.116 -0.919 269 HB2 PHE 41 1HB PHE 41 -3.574 5.072 2.063 270 HB3 PHE 41 2HB PHE 41 -4.657 5.747 0.850 271 HD1 PHE 41 2HD PHE 41 -3.284 2.668 2.279 272 HD2 PHE 41 1HD PHE 41 -5.998 4.328 -0.548 273 HE1 PHE 41 2HE PHE 41 -4.354 0.468 2.020 274 HE2 PHE 41 1HE PHE 41 -7.074 2.131 -0.810 275 HZ PHE 41 HZ PHE 41 -6.252 0.197 0.473 276 H TYR 42 H TYR 42 -3.025 7.245 -1.365 277 HA TYR 42 HA TYR 42 -1.671 9.064 0.489 278 HB2 TYR 42 1HB TYR 42 -0.190 9.926 -1.122 279 HB3 TYR 42 2HB TYR 42 -0.102 8.182 -1.345 280 HD1 TYR 42 2HD TYR 42 -1.464 11.316 -2.744 281 HD2 TYR 42 1HD TYR 42 -0.781 7.167 -3.389 282 HE1 TYR 42 2HE TYR 42 -2.029 11.599 -5.121 283 HE2 TYR 42 1HE TYR 42 -1.343 7.438 -5.769 284 HH TYR 42 HH TYR 42 -1.793 8.895 -7.399 285 H ALA 43 H ALA 43 -1.833 11.402 -0.520 286 HA ALA 43 HA ALA 43 -4.406 11.784 -1.859 287 HB1 ALA 43 1HB ALA 43 -3.681 12.998 0.802 288 HB2 ALA 43 2HB ALA 43 -5.028 13.538 -0.201 289 HB3 ALA 43 3HB ALA 43 -5.016 11.899 0.452 290 HA PRO 44 HA PRO 44 -2.085 14.826 -4.051 291 HB2 PRO 44 1HB PRO 44 -4.158 16.198 -5.142 292 HB3 PRO 44 2HB PRO 44 -3.657 14.602 -5.711 293 HG2 PRO 44 1HG PRO 44 -5.899 15.338 -3.869 294 HG3 PRO 44 2HG PRO 44 -5.885 14.170 -5.203 295 HD2 PRO 44 1HD PRO 44 -5.656 13.423 -2.610 296 HD3 PRO 44 2HD PRO 44 -4.865 12.540 -3.932 297 H TRP 45 H TRP 45 -4.120 15.485 -1.422 298 HA TRP 45 HA TRP 45 -3.460 18.346 -1.446 299 HB2 TRP 45 1HB TRP 45 -5.142 18.474 0.426 300 HB3 TRP 45 2HB TRP 45 -5.802 17.974 -1.128 301 HD1 TRP 45 HD TRP 45 -7.137 15.768 -1.164 302 HE1 TRP 45 1HE TRP 45 -7.591 13.886 0.533 303 HE3 TRP 45 3HE TRP 45 -3.878 17.186 2.511 304 HZ2 TRP 45 2HZ TRP 45 -6.688 13.107 3.091 305 HZ3 TRP 45 3HZ TRP 45 -3.734 15.818 4.551 306 HH2 TRP 45 HH TRP 45 -5.111 13.822 4.834 307 H CYS 46 H CYS 46 -2.508 15.410 -0.079 308 HA CYS 46 HA CYS 46 -1.597 16.466 2.443 309 HB2 CYS 46 1HB CYS 46 -2.305 14.028 1.884 310 HB3 CYS 46 2HB CYS 46 -0.669 13.866 1.256 311 HG CYS 46 HG CYS 46 0.152 13.038 3.546 312 H GLY 47 H GLY 47 0.273 17.459 2.820 313 HA2 GLY 47 1HA GLY 47 2.125 17.925 0.680 314 HA3 GLY 47 2HA GLY 47 2.276 18.500 2.334 315 H HIS 48 H HIS 48 2.072 15.859 3.522 316 HA HIS 48 HA HIS 48 4.737 15.177 3.738 317 HB2 HIS 48 1HB HIS 48 2.580 14.408 5.070 318 HB3 HIS 48 2HB HIS 48 2.700 13.010 4.006 319 HD1 HIS 48 1HD HIS 48 4.701 11.418 4.361 320 HD2 HIS 48 2HD HIS 48 4.587 14.614 7.013 321 HE1 HIS 48 1HE HIS 48 6.360 10.854 6.164 322 HE2 HIS 48 2HE HIS 48 6.212 12.762 7.802 323 H CYS 49 H CYS 49 2.401 14.191 1.345 324 HA CYS 49 HA CYS 49 3.798 11.969 0.305 325 HB2 CYS 49 1HB CYS 49 2.200 11.926 -1.367 326 HB3 CYS 49 2HB CYS 49 1.347 12.805 -0.105 327 HG CYS 49 HG CYS 49 0.585 14.379 -2.051 328 H LYS 50 H LYS 50 4.176 15.388 -0.093 329 HA LYS 50 HA LYS 50 5.531 15.468 -2.543 330 HB2 LYS 50 1HB LYS 50 5.987 17.666 -2.056 331 HB3 LYS 50 2HB LYS 50 4.662 17.374 -0.938 332 HG2 LYS 50 1HG LYS 50 6.214 17.050 0.882 333 HG3 LYS 50 2HG LYS 50 7.582 17.211 -0.222 334 HD2 LYS 50 1HD LYS 50 7.462 19.330 0.685 335 HD3 LYS 50 2HD LYS 50 6.498 19.517 -0.782 336 HE2 LYS 50 1HE LYS 50 5.096 20.479 0.750 337 HE3 LYS 50 2HE LYS 50 4.534 18.810 0.820 338 HZ1 LYS 50 1HZ LYS 50 4.978 18.828 2.974 339 HZ2 LYS 50 2HZ LYS 50 5.626 20.387 2.883 340 HZ3 LYS 50 3HZ LYS 50 6.622 19.042 2.636 341 H GLN 51 H GLN 51 6.849 15.311 0.764 342 HA GLN 51 HA GLN 51 9.523 14.866 -0.227 343 HB2 GLN 51 1HB GLN 51 8.256 15.325 2.405 344 HB3 GLN 51 2HB GLN 51 9.711 14.337 2.420 345 HG2 GLN 51 1HG GLN 51 10.665 16.282 0.942 346 HG3 GLN 51 2HG GLN 51 9.369 17.202 1.706 347 HE21 GLN 51 1HE2 GLN 51 11.957 14.931 2.559 348 HE22 GLN 51 2HE2 GLN 51 12.423 15.741 4.012 349 H PHE 52 H PHE 52 6.822 12.949 0.640 350 HA PHE 52 HA PHE 52 8.438 10.555 1.059 351 HB2 PHE 52 1HB PHE 52 6.397 11.128 2.474 352 HB3 PHE 52 2HB PHE 52 5.426 10.725 1.062 353 HD1 PHE 52 1HD PHE 52 8.259 9.238 2.988 354 HD2 PHE 52 2HD PHE 52 4.532 8.621 1.028 355 HE1 PHE 52 1HE PHE 52 8.316 6.865 3.635 356 HE2 PHE 52 2HE PHE 52 4.582 6.247 1.672 357 HZ PHE 52 HZ PHE 52 6.476 5.366 2.978 358 H ALA 53 H ALA 53 7.091 12.216 -1.492 359 HA ALA 53 HA ALA 53 6.015 10.201 -3.114 360 HB1 ALA 53 1HB ALA 53 7.340 12.115 -4.749 361 HB2 ALA 53 2HB ALA 53 5.617 11.955 -4.410 362 HB3 ALA 53 3HB ALA 53 6.632 12.951 -3.367 363 HA PRO 54 HA PRO 54 10.375 9.720 -5.126 364 HB2 PRO 54 1HB PRO 54 12.461 10.972 -3.921 365 HB3 PRO 54 2HB PRO 54 11.475 11.737 -5.173 366 HG2 PRO 54 1HG PRO 54 11.326 12.037 -2.199 367 HG3 PRO 54 2HG PRO 54 11.219 13.283 -3.455 368 HD2 PRO 54 1HD PRO 54 9.034 12.275 -2.215 369 HD3 PRO 54 2HD PRO 54 9.007 12.819 -3.905 370 H GLU 55 H GLU 55 9.750 9.631 -1.764 371 HA GLU 55 HA GLU 55 11.932 7.861 -1.099 372 HB2 GLU 55 1HB GLU 55 10.637 9.574 0.425 373 HB3 GLU 55 2HB GLU 55 9.538 8.222 0.657 374 HG2 GLU 55 1HG GLU 55 11.253 6.880 1.600 375 HG3 GLU 55 2HG GLU 55 12.498 8.040 1.141 376 H TYR 56 H TYR 56 8.470 7.605 -1.723 377 HA TYR 56 HA TYR 56 8.248 4.854 -1.052 378 HB2 TYR 56 1HB TYR 56 6.352 6.528 -1.212 379 HB3 TYR 56 2HB TYR 56 6.471 6.375 -2.961 380 HD1 TYR 56 1HD TYR 56 6.705 3.768 -0.305 381 HD2 TYR 56 2HD TYR 56 4.534 5.282 -3.636 382 HE1 TYR 56 1HE TYR 56 5.229 1.803 -0.228 383 HE2 TYR 56 2HE TYR 56 3.051 3.321 -3.568 384 HH TYR 56 HH TYR 56 2.546 1.430 -2.529 385 H GLU 57 H GLU 57 8.611 6.569 -4.142 386 HA GLU 57 HA GLU 57 8.467 4.441 -5.889 387 HB2 GLU 57 1HB GLU 57 10.293 6.844 -6.067 388 HB3 GLU 57 2HB GLU 57 9.893 5.775 -7.404 389 HG2 GLU 57 1HG GLU 57 7.680 6.510 -7.487 390 HG3 GLU 57 2HG GLU 57 7.765 7.227 -5.879 391 H LYS 58 H LYS 58 11.348 5.671 -4.208 392 HA LYS 58 HA LYS 58 13.265 3.993 -5.253 393 HB2 LYS 58 1HB LYS 58 12.944 5.220 -2.528 394 HB3 LYS 58 2HB LYS 58 14.324 4.196 -2.899 395 HG2 LYS 58 1HG LYS 58 15.065 5.687 -4.606 396 HG3 LYS 58 2HG LYS 58 13.583 6.639 -4.491 397 HD2 LYS 58 1HD LYS 58 15.078 7.916 -3.272 398 HD3 LYS 58 2HD LYS 58 14.296 6.960 -2.010 399 HE2 LYS 58 1HE LYS 58 16.537 6.758 -1.472 400 HE3 LYS 58 2HE LYS 58 16.242 5.297 -2.413 401 HZ1 LYS 58 1HZ LYS 58 17.405 7.805 -3.500 402 HZ2 LYS 58 2HZ LYS 58 17.200 6.349 -4.337 403 HZ3 LYS 58 3HZ LYS 58 18.299 6.440 -3.053 404 H ILE 59 H ILE 59 10.996 3.354 -2.616 405 HA ILE 59 HA ILE 59 12.015 0.878 -1.801 406 HB ILE 59 HB ILE 59 9.174 1.897 -1.740 407 HG12 ILE 59 1HG1 ILE 59 11.216 1.712 0.482 408 HG13 ILE 59 2HG1 ILE 59 10.929 3.171 -0.460 409 HG21 ILE 59 1HG2 ILE 59 9.235 -0.549 -1.633 410 HG22 ILE 59 2HG2 ILE 59 10.372 -0.459 -0.289 411 HG23 ILE 59 3HG2 ILE 59 8.730 0.155 -0.097 412 HD11 ILE 59 1HD1 ILE 59 9.392 2.014 1.733 413 HD12 ILE 59 2HD1 ILE 59 9.491 3.681 1.164 414 HD13 ILE 59 3HD1 ILE 59 8.414 2.537 0.363 415 H ALA 60 H ALA 60 9.748 1.722 -4.368 416 HA ALA 60 HA ALA 60 8.770 -0.764 -5.054 417 HB1 ALA 60 1HB ALA 60 9.529 1.081 -7.258 418 HB2 ALA 60 2HB ALA 60 8.028 0.193 -6.991 419 HB3 ALA 60 3HB ALA 60 8.372 1.646 -6.052 420 H SER 61 H SER 61 11.706 0.804 -6.330 421 HA SER 61 HA SER 61 12.507 -1.454 -7.859 422 HB2 SER 61 1HB SER 61 13.517 0.424 -8.700 423 HB3 SER 61 2HB SER 61 13.706 1.164 -7.110 424 HG SER 61 HG SER 61 15.691 0.505 -7.252 425 H THR 62 H THR 62 13.086 -0.399 -4.583 426 HA THR 62 HA THR 62 15.321 -1.949 -3.951 427 HB THR 62 HB THR 62 13.064 -1.361 -2.034 428 HG1 THR 62 1HG THR 62 14.581 0.560 -1.666 429 HG21 THR 62 1HG2 THR 62 15.197 -2.837 -1.527 430 HG22 THR 62 2HG2 THR 62 14.576 -1.690 -0.339 431 HG23 THR 62 3HG2 THR 62 15.960 -1.258 -1.343 432 H LEU 63 H LEU 63 11.967 -2.708 -2.996 433 HA LEU 63 HA LEU 63 12.484 -5.377 -2.326 434 HB2 LEU 63 1HB LEU 63 9.945 -3.981 -3.134 435 HB3 LEU 63 2HB LEU 63 9.991 -5.656 -2.589 436 HG LEU 63 HG LEU 63 11.082 -3.468 -0.858 437 HD11 LEU 63 1HD1 LEU 63 8.649 -3.076 -1.723 438 HD12 LEU 63 2HD1 LEU 63 9.029 -2.883 -0.012 439 HD13 LEU 63 3HD1 LEU 63 8.250 -4.360 -0.581 440 HD21 LEU 63 1HD2 LEU 63 9.978 -6.232 -0.426 441 HD22 LEU 63 2HD2 LEU 63 10.239 -5.091 0.893 442 HD23 LEU 63 3HD2 LEU 63 11.602 -5.637 -0.084 443 H LYS 64 H LYS 64 12.189 -3.877 -5.370 444 HA LYS 64 HA LYS 64 11.065 -5.679 -7.060 445 HB2 LYS 64 1HB LYS 64 12.473 -3.454 -7.461 446 HB3 LYS 64 2HB LYS 64 13.726 -4.617 -7.877 447 HG2 LYS 64 1HG LYS 64 12.807 -4.329 -9.928 448 HG3 LYS 64 2HG LYS 64 11.771 -5.634 -9.347 449 HD2 LYS 64 1HD LYS 64 9.960 -4.271 -9.105 450 HD3 LYS 64 2HD LYS 64 10.941 -2.853 -8.731 451 HE2 LYS 64 1HE LYS 64 9.816 -2.639 -10.898 452 HE3 LYS 64 2HE LYS 64 11.571 -2.648 -11.070 453 HZ1 LYS 64 1HZ LYS 64 11.054 -5.230 -11.356 454 HZ2 LYS 64 2HZ LYS 64 11.088 -4.150 -12.658 455 HZ3 LYS 64 3HZ LYS 64 9.609 -4.597 -11.968 456 H ASP 65 H ASP 65 14.409 -5.815 -5.856 457 HA ASP 65 HA ASP 65 14.954 -8.319 -7.134 458 HB2 ASP 65 1HB ASP 65 16.929 -7.205 -6.817 459 HB3 ASP 65 2HB ASP 65 16.403 -6.483 -5.299 460 H ASN 66 H ASN 66 13.869 -7.303 -3.959 461 HA ASN 66 HA ASN 66 14.304 -9.365 -2.305 462 HB2 ASN 66 1HB ASN 66 12.811 -7.333 -1.920 463 HB3 ASN 66 2HB ASN 66 11.508 -8.279 -2.634 464 HD21 ASN 66 1HD2 ASN 66 10.888 -10.246 -1.584 465 HD22 ASN 66 2HD2 ASN 66 11.121 -10.427 0.118 466 H ASP 67 H ASP 67 13.614 -11.436 -1.947 467 HA ASP 67 HA ASP 67 11.983 -12.647 -4.083 468 HB2 ASP 67 1HB ASP 67 14.245 -13.474 -4.216 469 HB3 ASP 67 2HB ASP 67 14.263 -13.832 -2.492 470 HA PRO 68 HA PRO 68 10.550 -13.918 -4.608 471 HB2 PRO 68 1HB PRO 68 7.866 -13.512 -4.648 472 HB3 PRO 68 2HB PRO 68 8.594 -15.084 -4.298 473 HG2 PRO 68 1HG PRO 68 7.517 -13.032 -2.404 474 HG3 PRO 68 2HG PRO 68 7.315 -14.793 -2.378 475 HD2 PRO 68 1HD PRO 68 9.098 -13.507 -0.797 476 HD3 PRO 68 2HD PRO 68 9.386 -15.142 -1.427 477 HA PRO 69 HA PRO 69 10.434 -9.678 -5.768 478 HB2 PRO 69 1HB PRO 69 9.231 -9.786 -8.200 479 HB3 PRO 69 2HB PRO 69 10.880 -10.358 -7.917 480 HG2 PRO 69 1HG PRO 69 8.335 -11.925 -8.089 481 HG3 PRO 69 2HG PRO 69 9.923 -12.292 -8.786 482 HD2 PRO 69 1HD PRO 69 9.027 -13.455 -6.512 483 HD3 PRO 69 2HD PRO 69 10.746 -13.116 -6.797 484 H ILE 70 H ILE 70 9.142 -8.378 -4.596 485 HA ILE 70 HA ILE 70 6.253 -8.664 -4.704 486 HB ILE 70 HB ILE 70 7.948 -6.702 -3.153 487 HG12 ILE 70 1HG1 ILE 70 6.462 -9.073 -2.042 488 HG13 ILE 70 2HG1 ILE 70 8.112 -9.223 -2.636 489 HG21 ILE 70 1HG2 ILE 70 4.999 -7.264 -3.179 490 HG22 ILE 70 2HG2 ILE 70 5.797 -6.513 -1.799 491 HG23 ILE 70 3HG2 ILE 70 5.828 -5.720 -3.374 492 HD11 ILE 70 1HD1 ILE 70 8.872 -8.520 -0.688 493 HD12 ILE 70 2HD1 ILE 70 8.007 -6.996 -0.888 494 HD13 ILE 70 3HD1 ILE 70 7.218 -8.361 -0.098 495 H ALA 71 H ALA 71 4.861 -6.800 -5.092 496 HA ALA 71 HA ALA 71 6.022 -4.937 -7.061 497 HB1 ALA 71 1HB ALA 71 3.174 -5.295 -7.368 498 HB2 ALA 71 2HB ALA 71 4.468 -5.490 -8.551 499 HB3 ALA 71 3HB ALA 71 4.031 -6.831 -7.491 500 H VAL 72 H VAL 72 6.136 -2.966 -6.215 501 HA VAL 72 HA VAL 72 4.303 -2.138 -4.120 502 HB VAL 72 HB VAL 72 6.591 -0.621 -5.384 503 HG11 VAL 72 1HG1 VAL 72 6.276 0.451 -2.931 504 HG12 VAL 72 2HG1 VAL 72 5.519 1.098 -4.388 505 HG13 VAL 72 3HG1 VAL 72 4.604 0.042 -3.311 506 HG21 VAL 72 1HG2 VAL 72 7.655 -1.174 -3.111 507 HG22 VAL 72 2HG2 VAL 72 6.428 -2.436 -3.001 508 HG23 VAL 72 3HG2 VAL 72 7.589 -2.449 -4.328 509 H ALA 73 H ALA 73 2.507 -1.017 -4.465 510 HA ALA 73 HA ALA 73 2.309 0.650 -6.879 511 HB1 ALA 73 1HB ALA 73 0.368 -0.280 -7.602 512 HB2 ALA 73 2HB ALA 73 1.067 -1.701 -6.823 513 HB3 ALA 73 3HB ALA 73 -0.148 -0.740 -5.979 514 H LYS 74 H LYS 74 0.519 2.249 -6.741 515 HA LYS 74 HA LYS 74 -0.003 3.066 -3.960 516 HB2 LYS 74 1HB LYS 74 0.344 5.373 -4.546 517 HB3 LYS 74 2HB LYS 74 1.762 4.457 -5.040 518 HG2 LYS 74 1HG LYS 74 0.940 4.437 -7.346 519 HG3 LYS 74 2HG LYS 74 -0.468 5.376 -6.844 520 HD2 LYS 74 1HD LYS 74 1.044 7.179 -6.092 521 HD3 LYS 74 2HD LYS 74 2.419 6.245 -6.686 522 HE2 LYS 74 1HE LYS 74 1.761 7.943 -8.302 523 HE3 LYS 74 2HE LYS 74 1.493 6.325 -8.949 524 HZ1 LYS 74 1HZ LYS 74 -0.368 8.414 -8.591 525 HZ2 LYS 74 2HZ LYS 74 -0.850 7.079 -7.672 526 HZ3 LYS 74 3HZ LYS 74 -0.592 6.911 -9.335 527 H ILE 75 H ILE 75 -1.948 4.230 -3.596 528 HA ILE 75 HA ILE 75 -3.874 4.293 -5.799 529 HB ILE 75 HB ILE 75 -4.432 2.970 -3.141 530 HG12 ILE 75 1HG1 ILE 75 -4.727 1.623 -5.794 531 HG13 ILE 75 2HG1 ILE 75 -3.115 1.789 -5.106 532 HG21 ILE 75 1HG2 ILE 75 -6.203 3.718 -5.443 533 HG22 ILE 75 2HG2 ILE 75 -6.625 2.411 -4.338 534 HG23 ILE 75 3HG2 ILE 75 -6.420 4.052 -3.726 535 HD11 ILE 75 1HD1 ILE 75 -3.662 0.472 -3.245 536 HD12 ILE 75 2HD1 ILE 75 -5.392 0.582 -3.575 537 HD13 ILE 75 3HD1 ILE 75 -4.350 -0.365 -4.637 538 H ASP 76 H ASP 76 -5.376 5.909 -5.662 539 HA ASP 76 HA ASP 76 -4.883 7.934 -3.632 540 HB2 ASP 76 1HB ASP 76 -6.912 8.264 -5.806 541 HB3 ASP 76 2HB ASP 76 -5.851 9.466 -5.075 542 H ALA 77 H ALA 77 -5.818 6.805 -1.847 543 HA ALA 77 HA ALA 77 -8.223 5.640 -1.527 544 HB1 ALA 77 1HB ALA 77 -8.193 7.165 0.725 545 HB2 ALA 77 2HB ALA 77 -7.258 5.687 0.497 546 HB3 ALA 77 3HB ALA 77 -6.507 7.257 0.214 547 H THR 78 H THR 78 -7.707 9.162 -1.446 548 HA THR 78 HA THR 78 -10.183 10.110 -0.903 549 HB THR 78 HB THR 78 -9.716 12.048 -2.337 550 HG1 THR 78 1HG THR 78 -7.304 10.862 -3.178 551 HG21 THR 78 1HG2 THR 78 -7.336 10.983 -0.815 552 HG22 THR 78 2HG2 THR 78 -8.627 12.010 -0.191 553 HG23 THR 78 3HG2 THR 78 -7.491 12.645 -1.381 554 H SER 79 H SER 79 -9.088 8.894 -4.048 555 HA SER 79 HA SER 79 -11.697 9.314 -5.234 556 HB2 SER 79 1HB SER 79 -9.421 9.531 -6.431 557 HB3 SER 79 2HB SER 79 -9.438 7.768 -6.494 558 HG SER 79 HG SER 79 -10.409 9.086 -8.314 559 H ALA 80 H ALA 80 -9.734 6.632 -4.069 560 HA ALA 80 HA ALA 80 -11.806 4.709 -4.795 561 HB1 ALA 80 1HB ALA 80 -10.174 3.194 -4.870 562 HB2 ALA 80 2HB ALA 80 -9.053 4.546 -4.704 563 HB3 ALA 80 3HB ALA 80 -9.571 3.649 -3.276 564 H SER 81 H SER 81 -13.440 5.394 -3.344 565 HA SER 81 HA SER 81 -13.030 5.585 -0.541 566 HB2 SER 81 1HB SER 81 -14.904 6.739 -1.505 567 HB3 SER 81 2HB SER 81 -15.538 5.246 -2.197 568 HG SER 81 HG SER 81 -15.922 6.281 0.263 569 H MET 82 H MET 82 -14.534 3.070 -2.566 570 HA MET 82 HA MET 82 -15.229 1.238 -0.655 571 HB2 MET 82 1HB MET 82 -15.561 1.092 -3.171 572 HB3 MET 82 2HB MET 82 -13.928 0.448 -3.258 573 HG2 MET 82 1HG MET 82 -16.098 -0.781 -1.584 574 HG3 MET 82 2HG MET 82 -15.774 -1.247 -3.252 575 HE1 MET 82 1HE MET 82 -12.959 -1.529 -3.843 576 HE2 MET 82 2HE MET 82 -12.428 -3.059 -3.144 577 HE3 MET 82 3HE MET 82 -13.993 -2.954 -3.952 578 H LEU 83 H LEU 83 -12.123 1.190 -2.415 579 HA LEU 83 HA LEU 83 -10.896 -0.785 -0.893 580 HB2 LEU 83 1HB LEU 83 -9.716 1.557 -2.371 581 HB3 LEU 83 2HB LEU 83 -8.749 0.265 -1.663 582 HG LEU 83 HG LEU 83 -10.831 -0.153 -3.805 583 HD11 LEU 83 1HD1 LEU 83 -7.836 0.104 -4.035 584 HD12 LEU 83 2HD1 LEU 83 -9.042 1.211 -4.690 585 HD13 LEU 83 3HD1 LEU 83 -8.915 -0.429 -5.325 586 HD21 LEU 83 1HD2 LEU 83 -10.377 -2.103 -2.387 587 HD22 LEU 83 2HD2 LEU 83 -8.656 -1.956 -2.746 588 HD23 LEU 83 3HD2 LEU 83 -9.797 -2.340 -4.036 589 H ALA 84 H ALA 84 -10.717 2.748 -0.504 590 HA ALA 84 HA ALA 84 -9.007 2.901 1.649 591 HB1 ALA 84 1HB ALA 84 -11.442 4.628 1.223 592 HB2 ALA 84 2HB ALA 84 -10.000 5.043 2.151 593 HB3 ALA 84 3HB ALA 84 -9.895 4.839 0.403 594 H SER 85 H SER 85 -12.539 2.489 1.724 595 HA SER 85 HA SER 85 -12.774 2.416 4.532 596 HB2 SER 85 1HB SER 85 -14.586 2.625 2.614 597 HB3 SER 85 2HB SER 85 -14.677 0.876 2.817 598 HG SER 85 HG SER 85 -14.788 1.615 5.209 599 H LYS 86 H LYS 86 -11.893 0.017 2.181 600 HA LYS 86 HA LYS 86 -12.419 -2.326 3.606 601 HB2 LYS 86 1HB LYS 86 -11.505 -1.884 1.160 602 HB3 LYS 86 2HB LYS 86 -9.949 -2.136 1.940 603 HG2 LYS 86 1HG LYS 86 -10.690 -4.330 2.718 604 HG3 LYS 86 2HG LYS 86 -12.251 -4.077 1.935 605 HD2 LYS 86 1HD LYS 86 -11.344 -4.227 -0.202 606 HD3 LYS 86 2HD LYS 86 -9.709 -3.874 0.363 607 HE2 LYS 86 1HE LYS 86 -9.520 -6.124 0.029 608 HE3 LYS 86 2HE LYS 86 -10.072 -6.123 1.703 609 HZ1 LYS 86 1HZ LYS 86 -11.396 -7.688 0.604 610 HZ2 LYS 86 2HZ LYS 86 -11.644 -6.689 -0.738 611 HZ3 LYS 86 3HZ LYS 86 -12.385 -6.322 0.738 612 H PHE 87 H PHE 87 -9.438 -0.381 3.491 613 HA PHE 87 HA PHE 87 -8.403 -1.884 5.781 614 HB2 PHE 87 1HB PHE 87 -6.959 0.208 4.149 615 HB3 PHE 87 2HB PHE 87 -6.251 -0.966 5.253 616 HD1 PHE 87 2HD PHE 87 -7.946 -0.566 2.001 617 HD2 PHE 87 1HD PHE 87 -5.707 -3.147 4.540 618 HE1 PHE 87 2HE PHE 87 -7.631 -2.131 0.128 619 HE2 PHE 87 1HE PHE 87 -5.388 -4.715 2.671 620 HZ PHE 87 HZ PHE 87 -6.351 -4.208 0.462 621 H ASP 88 H ASP 88 -10.553 0.229 5.833 622 HA ASP 88 HA ASP 88 -11.099 2.165 6.951 623 HB2 ASP 88 1HB ASP 88 -10.728 0.184 8.653 624 HB3 ASP 88 2HB ASP 88 -9.382 1.183 9.194 625 H VAL 89 H VAL 89 -9.188 2.906 5.261 626 HA VAL 89 HA VAL 89 -6.865 4.008 6.488 627 HB VAL 89 HB VAL 89 -8.142 4.672 3.831 628 HG11 VAL 89 1HG1 VAL 89 -5.928 5.584 3.245 629 HG12 VAL 89 2HG1 VAL 89 -6.699 6.476 4.559 630 HG13 VAL 89 3HG1 VAL 89 -5.403 5.331 4.909 631 HG21 VAL 89 1HG2 VAL 89 -6.478 3.185 2.877 632 HG22 VAL 89 2HG2 VAL 89 -5.826 2.849 4.481 633 HG23 VAL 89 3HG2 VAL 89 -7.456 2.320 4.063 634 H SER 90 H SER 90 -7.197 5.456 8.084 635 HA SER 90 HA SER 90 -8.972 7.738 7.520 636 HB2 SER 90 1HB SER 90 -9.448 6.232 9.539 637 HB3 SER 90 2HB SER 90 -7.997 6.930 10.258 638 HG SER 90 HG SER 90 -9.888 8.686 9.204 639 H GLY 91 H GLY 91 -6.444 7.755 6.396 640 HA2 GLY 91 1HA GLY 91 -5.443 10.233 7.074 641 HA3 GLY 91 2HA GLY 91 -4.531 9.086 8.044 642 H TYR 92 H TYR 92 -3.000 10.462 6.461 643 HA TYR 92 HA TYR 92 -1.949 8.531 4.638 644 HB2 TYR 92 1HB TYR 92 -2.592 11.085 3.245 645 HB3 TYR 92 2HB TYR 92 -2.406 9.463 2.587 646 HD1 TYR 92 2HD TYR 92 -4.711 11.637 4.519 647 HD2 TYR 92 1HD TYR 92 -4.284 8.102 2.190 648 HE1 TYR 92 2HE TYR 92 -7.157 11.389 4.458 649 HE2 TYR 92 1HE TYR 92 -6.729 7.845 2.122 650 HH TYR 92 HH TYR 92 -8.727 9.167 2.376 651 HA PRO 93 HA PRO 93 -0.453 8.598 2.910 652 HB2 PRO 93 1HB PRO 93 2.007 7.483 3.185 653 HB3 PRO 93 2HB PRO 93 1.710 8.923 2.205 654 HG2 PRO 93 1HG PRO 93 2.787 8.717 4.990 655 HG3 PRO 93 2HG PRO 93 3.333 9.746 3.653 656 HD2 PRO 93 1HD PRO 93 1.768 10.672 5.660 657 HD3 PRO 93 2HD PRO 93 1.666 11.299 4.002 658 H THR 94 H THR 94 -1.022 6.474 3.116 659 HA THR 94 HA THR 94 -0.569 5.196 5.730 660 HB THR 94 HB THR 94 -3.138 5.288 4.148 661 HG1 THR 94 1HG THR 94 -2.728 6.977 5.686 662 HG21 THR 94 1HG2 THR 94 -4.010 3.767 5.967 663 HG22 THR 94 2HG2 THR 94 -2.328 3.453 6.398 664 HG23 THR 94 3HG2 THR 94 -2.926 3.011 4.800 665 H ILE 95 H ILE 95 0.859 3.633 5.264 666 HA ILE 95 HA ILE 95 0.716 2.167 2.769 667 HB ILE 95 HB ILE 95 2.579 1.757 5.110 668 HG12 ILE 95 1HG1 ILE 95 3.390 3.063 2.545 669 HG13 ILE 95 2HG1 ILE 95 2.531 4.019 3.747 670 HG21 ILE 95 1HG2 ILE 95 2.943 -0.167 3.996 671 HG22 ILE 95 2HG2 ILE 95 2.253 0.448 2.495 672 HG23 ILE 95 3HG2 ILE 95 3.909 0.863 2.940 673 HD11 ILE 95 1HD1 ILE 95 4.317 4.161 5.076 674 HD12 ILE 95 2HD1 ILE 95 4.762 2.473 4.825 675 HD13 ILE 95 3HD1 ILE 95 5.222 3.692 3.637 676 H LYS 96 H LYS 96 0.204 0.021 2.524 677 HA LYS 96 HA LYS 96 -0.607 -1.513 4.875 678 HB2 LYS 96 1HB LYS 96 -2.407 -0.849 2.547 679 HB3 LYS 96 2HB LYS 96 -2.713 -2.203 3.627 680 HG2 LYS 96 1HG LYS 96 -2.302 0.493 4.812 681 HG3 LYS 96 2HG LYS 96 -3.836 0.137 4.015 682 HD2 LYS 96 1HD LYS 96 -4.167 -1.787 5.465 683 HD3 LYS 96 2HD LYS 96 -2.600 -1.504 6.228 684 HE2 LYS 96 1HE LYS 96 -4.853 -0.635 7.308 685 HE3 LYS 96 2HE LYS 96 -3.353 0.284 7.426 686 HZ1 LYS 96 1HZ LYS 96 -5.326 1.609 6.755 687 HZ2 LYS 96 2HZ LYS 96 -5.390 0.726 5.315 688 HZ3 LYS 96 3HZ LYS 96 -4.042 1.690 5.655 689 H ILE 97 H ILE 97 -1.103 -3.815 4.281 690 HA ILE 97 HA ILE 97 0.326 -4.682 1.866 691 HB ILE 97 HB ILE 97 0.738 -5.839 4.625 692 HG12 ILE 97 1HG1 ILE 97 2.910 -4.738 2.884 693 HG13 ILE 97 2HG1 ILE 97 1.904 -3.625 3.805 694 HG21 ILE 97 1HG2 ILE 97 1.290 -7.734 3.610 695 HG22 ILE 97 2HG2 ILE 97 1.026 -7.009 2.026 696 HG23 ILE 97 3HG2 ILE 97 2.603 -6.879 2.803 697 HD11 ILE 97 1HD1 ILE 97 2.955 -4.099 5.704 698 HD12 ILE 97 2HD1 ILE 97 2.896 -5.836 5.406 699 HD13 ILE 97 3HD1 ILE 97 4.182 -4.862 4.693 700 H LEU 98 H LEU 98 -0.647 -6.287 0.776 701 HA LEU 98 HA LEU 98 -3.051 -7.470 1.979 702 HB2 LEU 98 1HB LEU 98 -3.102 -6.141 -0.214 703 HB3 LEU 98 2HB LEU 98 -2.327 -7.551 -0.933 704 HG LEU 98 HG LEU 98 -4.299 -8.903 -0.143 705 HD11 LEU 98 1HD1 LEU 98 -5.022 -7.224 1.562 706 HD12 LEU 98 2HD1 LEU 98 -6.308 -7.796 0.500 707 HD13 LEU 98 3HD1 LEU 98 -5.588 -6.208 0.236 708 HD21 LEU 98 1HD2 LEU 98 -5.018 -8.676 -2.230 709 HD22 LEU 98 2HD2 LEU 98 -3.967 -7.270 -2.395 710 HD23 LEU 98 3HD2 LEU 98 -5.644 -7.063 -1.890 711 H LYS 99 H LYS 99 -3.125 -9.571 2.442 712 HA LYS 99 HA LYS 99 -1.052 -11.325 1.296 713 HB2 LYS 99 1HB LYS 99 -0.835 -10.749 3.774 714 HB3 LYS 99 2HB LYS 99 -2.293 -11.702 4.017 715 HG2 LYS 99 1HG LYS 99 -0.475 -13.122 4.498 716 HG3 LYS 99 2HG LYS 99 -1.087 -13.620 2.920 717 HD2 LYS 99 1HD LYS 99 0.688 -12.231 1.863 718 HD3 LYS 99 2HD LYS 99 1.339 -11.914 3.473 719 HE2 LYS 99 1HE LYS 99 2.634 -13.697 2.852 720 HE3 LYS 99 2HE LYS 99 1.302 -14.538 3.643 721 HZ1 LYS 99 1HZ LYS 99 2.091 -14.542 0.871 722 HZ2 LYS 99 2HZ LYS 99 0.430 -14.330 1.104 723 HZ3 LYS 99 3HZ LYS 99 1.207 -15.689 1.746 724 H LYS 100 H LYS 100 -2.155 -12.376 -0.266 725 HA LYS 100 HA LYS 100 -3.745 -13.648 -1.301 726 HB2 LYS 100 1HB LYS 100 -3.869 -14.895 1.451 727 HB3 LYS 100 2HB LYS 100 -4.458 -15.633 -0.033 728 HG2 LYS 100 1HG LYS 100 -2.086 -15.442 -0.903 729 HG3 LYS 100 2HG LYS 100 -1.620 -15.056 0.755 730 HD2 LYS 100 1HD LYS 100 -2.946 -17.229 1.333 731 HD3 LYS 100 2HD LYS 100 -2.692 -17.610 -0.372 732 HE2 LYS 100 1HE LYS 100 -0.408 -16.764 1.374 733 HE3 LYS 100 2HE LYS 100 -0.968 -18.436 1.368 734 HZ1 LYS 100 1HZ LYS 100 0.834 -18.126 -0.194 735 HZ2 LYS 100 2HZ LYS 100 -0.023 -16.910 -0.999 736 HZ3 LYS 100 3HZ LYS 100 -0.590 -18.504 -1.026 737 H GLY 101 H GLY 101 -4.658 -11.183 0.109 738 HA2 GLY 101 1HA GLY 101 -6.887 -10.326 -0.231 739 HA3 GLY 101 2HA GLY 101 -7.512 -11.908 0.213 740 H GLN 102 H GLN 102 -4.958 -10.977 2.203 741 HA GLN 102 HA GLN 102 -6.861 -10.212 4.309 742 HB2 GLN 102 1HB GLN 102 -4.268 -11.696 4.323 743 HB3 GLN 102 2HB GLN 102 -4.736 -10.796 5.759 744 HG2 GLN 102 1HG GLN 102 -6.425 -12.907 4.439 745 HG3 GLN 102 2HG GLN 102 -5.374 -13.179 5.828 746 HE21 GLN 102 1HE2 GLN 102 -5.778 -11.260 7.519 747 HE22 GLN 102 2HE2 GLN 102 -7.437 -11.105 7.978 748 H ALA 103 H ALA 103 -6.564 -8.380 5.513 749 HA ALA 103 HA ALA 103 -4.690 -6.429 4.407 750 HB1 ALA 103 1HB ALA 103 -7.134 -6.190 6.133 751 HB2 ALA 103 2HB ALA 103 -6.021 -4.841 5.900 752 HB3 ALA 103 3HB ALA 103 -6.856 -5.545 4.515 753 H VAL 104 H VAL 104 -2.878 -5.864 5.416 754 HA VAL 104 HA VAL 104 -2.604 -6.524 8.278 755 HB VAL 104 HB VAL 104 -0.426 -6.575 6.184 756 HG11 VAL 104 1HG1 VAL 104 0.834 -6.128 8.002 757 HG12 VAL 104 2HG1 VAL 104 -0.415 -6.658 9.131 758 HG13 VAL 104 3HG1 VAL 104 0.605 -7.847 8.321 759 HG21 VAL 104 1HG2 VAL 104 -0.472 -9.072 7.072 760 HG22 VAL 104 2HG2 VAL 104 -2.164 -8.672 7.368 761 HG23 VAL 104 3HG2 VAL 104 -1.499 -8.539 5.741 762 H ASP 105 H ASP 105 -2.922 -4.585 9.231 763 HA ASP 105 HA ASP 105 -2.283 -2.075 8.233 764 HB2 ASP 105 1HB ASP 105 -3.707 -2.644 10.266 765 HB3 ASP 105 2HB ASP 105 -2.200 -2.781 11.166 766 H TYR 106 H TYR 106 -0.494 -0.825 8.187 767 HA TYR 106 HA TYR 106 2.018 -2.091 9.010 768 HB2 TYR 106 1HB TYR 106 2.004 -1.449 6.701 769 HB3 TYR 106 2HB TYR 106 1.419 0.164 7.091 770 HD1 TYR 106 2HD TYR 106 4.327 -2.096 7.676 771 HD2 TYR 106 1HD TYR 106 2.936 1.909 7.322 772 HE1 TYR 106 2HE TYR 106 6.647 -1.287 7.784 773 HE2 TYR 106 1HE TYR 106 5.252 2.729 7.428 774 HH TYR 106 HH TYR 106 7.446 1.940 8.310 775 H ASP 107 H ASP 107 2.522 -1.583 11.049 776 HA ASP 107 HA ASP 107 2.192 1.206 11.926 777 HB2 ASP 107 1HB ASP 107 2.358 -1.382 13.467 778 HB3 ASP 107 2HB ASP 107 2.520 0.190 14.244 779 H GLY 108 H GLY 108 4.219 1.379 10.464 780 HA2 GLY 108 1HA GLY 108 6.603 0.876 12.139 781 HA3 GLY 108 2HA GLY 108 6.631 0.828 10.383 782 H SER 109 H SER 109 8.303 2.389 10.367 783 HA SER 109 HA SER 109 7.451 5.102 11.137 784 HB2 SER 109 1HB SER 109 9.529 4.162 12.229 785 HB3 SER 109 2HB SER 109 10.287 4.180 10.636 786 HG SER 109 HG SER 109 10.721 6.187 11.030 787 H ARG 110 H ARG 110 6.720 3.728 8.671 788 HA ARG 110 HA ARG 110 6.864 3.918 6.376 789 HB2 ARG 110 1HB ARG 110 6.939 6.838 7.152 790 HB3 ARG 110 2HB ARG 110 6.340 6.168 5.641 791 HG2 ARG 110 1HG ARG 110 4.564 5.006 6.895 792 HG3 ARG 110 2HG ARG 110 5.143 5.774 8.375 793 HD2 ARG 110 1HD ARG 110 4.406 7.412 5.977 794 HD3 ARG 110 2HD ARG 110 3.167 6.842 7.094 795 HE ARG 110 HE ARG 110 5.365 8.197 8.368 796 HH11 ARG 110 2HH1 ARG 110 2.261 8.561 6.833 797 HH12 ARG 110 1HH1 ARG 110 1.905 10.066 7.615 798 HH21 ARG 110 2HH2 ARG 110 4.908 10.178 9.403 799 HH22 ARG 110 1HH2 ARG 110 3.412 10.985 9.075 800 H THR 111 H THR 111 9.342 3.256 7.138 801 HA THR 111 HA THR 111 11.084 5.085 5.617 802 HB THR 111 HB THR 111 12.939 3.838 6.999 803 HG1 THR 111 1HG THR 111 12.266 2.900 8.809 804 HG21 THR 111 1HG2 THR 111 11.948 5.613 8.940 805 HG22 THR 111 2HG2 THR 111 11.438 6.258 7.380 806 HG23 THR 111 3HG2 THR 111 13.145 5.947 7.690 807 H GLN 112 H GLN 112 12.522 4.202 4.146 808 HA GLN 112 HA GLN 112 11.780 2.047 2.645 809 HB2 GLN 112 1HB GLN 112 14.527 3.207 3.094 810 HB3 GLN 112 2HB GLN 112 14.204 1.965 1.892 811 HG2 GLN 112 1HG GLN 112 14.000 3.790 0.574 812 HG3 GLN 112 2HG GLN 112 12.338 3.691 1.153 813 HE21 GLN 112 1HE2 GLN 112 14.671 5.798 0.512 814 HE22 GLN 112 2HE2 GLN 112 14.330 7.029 1.675 815 H GLU 113 H GLU 113 13.846 2.055 5.495 816 HA GLU 113 HA GLU 113 14.627 -0.677 5.281 817 HB2 GLU 113 1HB GLU 113 14.611 1.145 7.694 818 HB3 GLU 113 2HB GLU 113 15.435 -0.405 7.590 819 HG2 GLU 113 1HG GLU 113 16.752 0.549 5.672 820 HG3 GLU 113 2HG GLU 113 16.059 2.117 6.083 821 H GLU 114 H GLU 114 12.250 1.018 7.318 822 HA GLU 114 HA GLU 114 11.256 -1.329 8.554 823 HB2 GLU 114 1HB GLU 114 10.227 1.480 8.279 824 HB3 GLU 114 2HB GLU 114 9.237 0.230 9.018 825 HG2 GLU 114 1HG GLU 114 11.986 1.026 9.946 826 HG3 GLU 114 2HG GLU 114 10.472 1.580 10.659 827 H ILE 115 H ILE 115 9.548 0.803 6.261 828 HA ILE 115 HA ILE 115 7.400 -0.673 5.620 829 HB ILE 115 HB ILE 115 9.142 0.745 3.600 830 HG12 ILE 115 1HG1 ILE 115 6.705 1.740 5.089 831 HG13 ILE 115 2HG1 ILE 115 8.363 2.115 5.545 832 HG21 ILE 115 1HG2 ILE 115 6.230 -0.021 3.431 833 HG22 ILE 115 2HG2 ILE 115 7.140 0.889 2.226 834 HG23 ILE 115 3HG2 ILE 115 7.549 -0.795 2.552 835 HD11 ILE 115 1HD1 ILE 115 8.683 3.185 3.347 836 HD12 ILE 115 2HD1 ILE 115 6.982 2.885 2.988 837 HD13 ILE 115 3HD1 ILE 115 7.427 3.951 4.320 838 H VAL 116 H VAL 116 10.577 -1.090 4.061 839 HA VAL 116 HA VAL 116 9.797 -3.333 2.511 840 HB VAL 116 HB VAL 116 12.532 -2.362 3.344 841 HG11 VAL 116 1HG1 VAL 116 11.777 -4.874 2.217 842 HG12 VAL 116 2HG1 VAL 116 12.684 -3.951 1.017 843 HG13 VAL 116 3HG1 VAL 116 13.388 -4.270 2.602 844 HG21 VAL 116 1HG2 VAL 116 11.189 -0.879 1.872 845 HG22 VAL 116 2HG2 VAL 116 12.673 -1.462 1.117 846 HG23 VAL 116 3HG2 VAL 116 11.121 -2.181 0.684 847 H ALA 117 H ALA 117 11.320 -2.979 5.674 848 HA ALA 117 HA ALA 117 12.059 -5.627 6.124 849 HB1 ALA 117 1HB ALA 117 11.789 -5.029 8.566 850 HB2 ALA 117 2HB ALA 117 12.851 -3.982 7.623 851 HB3 ALA 117 3HB ALA 117 11.217 -3.451 8.022 852 H LYS 118 H LYS 118 8.985 -3.987 6.802 853 HA LYS 118 HA LYS 118 7.742 -6.293 7.930 854 HB2 LYS 118 1HB LYS 118 6.860 -4.202 8.598 855 HB3 LYS 118 2HB LYS 118 6.702 -3.647 6.937 856 HG2 LYS 118 1HG LYS 118 4.526 -4.139 7.772 857 HG3 LYS 118 2HG LYS 118 4.951 -5.378 6.589 858 HD2 LYS 118 1HD LYS 118 4.004 -6.566 8.375 859 HD3 LYS 118 2HD LYS 118 5.745 -6.761 8.589 860 HE2 LYS 118 1HE LYS 118 5.121 -6.213 10.725 861 HE3 LYS 118 2HE LYS 118 5.478 -4.613 10.076 862 HZ1 LYS 118 1HZ LYS 118 3.016 -4.539 9.500 863 HZ2 LYS 118 2HZ LYS 118 3.433 -4.378 11.131 864 HZ3 LYS 118 3HZ LYS 118 2.839 -5.853 10.552 865 H VAL 119 H VAL 119 7.077 -4.560 4.879 866 HA VAL 119 HA VAL 119 5.326 -6.219 3.671 867 HB VAL 119 HB VAL 119 7.697 -4.857 2.394 868 HG11 VAL 119 1HG1 VAL 119 7.059 -6.603 0.900 869 HG12 VAL 119 2HG1 VAL 119 5.346 -6.236 1.112 870 HG13 VAL 119 3HG1 VAL 119 6.395 -5.096 0.269 871 HG21 VAL 119 1HG2 VAL 119 6.461 -2.997 2.361 872 HG22 VAL 119 2HG2 VAL 119 5.017 -3.862 1.835 873 HG23 VAL 119 3HG2 VAL 119 5.433 -3.801 3.548 874 H ARG 120 H ARG 120 8.862 -6.598 3.353 875 HA ARG 120 HA ARG 120 8.786 -9.037 1.980 876 HB2 ARG 120 1HB ARG 120 11.088 -9.114 2.250 877 HB3 ARG 120 2HB ARG 120 10.757 -7.395 2.409 878 HG2 ARG 120 1HG ARG 120 10.740 -7.721 4.893 879 HG3 ARG 120 2HG ARG 120 11.318 -9.364 4.609 880 HD2 ARG 120 1HD ARG 120 12.767 -7.087 3.347 881 HD3 ARG 120 2HD ARG 120 12.995 -7.389 5.069 882 HE ARG 120 HE ARG 120 13.356 -9.824 3.866 883 HH11 ARG 120 2HH1 ARG 120 14.792 -6.665 3.578 884 HH12 ARG 120 1HH1 ARG 120 16.346 -7.271 3.110 885 HH21 ARG 120 2HH2 ARG 120 15.398 -10.633 3.251 886 HH22 ARG 120 1HH2 ARG 120 16.690 -9.528 2.923 887 H GLU 121 H GLU 121 8.801 -8.307 5.425 888 HA GLU 121 HA GLU 121 9.226 -10.932 6.358 889 HB2 GLU 121 1HB GLU 121 9.546 -9.196 7.921 890 HB3 GLU 121 2HB GLU 121 7.972 -8.489 7.584 891 HG2 GLU 121 1HG GLU 121 6.863 -9.962 8.918 892 HG3 GLU 121 2HG GLU 121 8.047 -11.245 8.676 893 H VAL 122 H VAL 122 6.314 -9.168 5.464 894 HA VAL 122 HA VAL 122 4.540 -11.260 6.346 895 HB VAL 122 HB VAL 122 3.911 -8.915 4.550 896 HG11 VAL 122 1HG1 VAL 122 1.822 -9.669 4.509 897 HG12 VAL 122 2HG1 VAL 122 2.380 -11.140 5.310 898 HG13 VAL 122 3HG1 VAL 122 1.783 -9.784 6.268 899 HG21 VAL 122 1HG2 VAL 122 4.767 -7.954 6.518 900 HG22 VAL 122 2HG2 VAL 122 3.016 -7.931 6.723 901 HG23 VAL 122 3HG2 VAL 122 3.984 -9.154 7.545 902 H SER 123 H SER 123 6.279 -10.487 3.472 903 HA SER 123 HA SER 123 4.654 -11.814 1.580 904 HB2 SER 123 1HB SER 123 6.363 -11.433 0.061 905 HB3 SER 123 2HB SER 123 6.708 -10.196 1.269 906 HG SER 123 HG SER 123 8.036 -12.100 2.197 907 H GLN 124 H GLN 124 6.904 -12.943 3.947 908 HA GLN 124 HA GLN 124 7.487 -15.464 2.776 909 HB2 GLN 124 1HB GLN 124 7.514 -14.825 5.724 910 HB3 GLN 124 2HB GLN 124 8.455 -16.047 4.879 911 HG2 GLN 124 1HG GLN 124 8.760 -13.065 4.611 912 HG3 GLN 124 2HG GLN 124 9.840 -14.156 5.478 913 HE21 GLN 124 1HE2 GLN 124 10.053 -12.334 3.037 914 HE22 GLN 124 2HE2 GLN 124 10.827 -13.328 1.855 915 HA PRO 125 HA PRO 125 3.754 -17.662 3.551 916 HB2 PRO 125 1HB PRO 125 4.738 -20.192 3.549 917 HB3 PRO 125 2HB PRO 125 4.551 -19.233 2.076 918 HG2 PRO 125 1HG PRO 125 7.005 -19.721 3.719 919 HG3 PRO 125 2HG PRO 125 6.821 -19.722 1.955 920 HD2 PRO 125 1HD PRO 125 7.845 -17.614 3.312 921 HD3 PRO 125 2HD PRO 125 6.902 -17.422 1.820 922 H ASP 126 H ASP 126 6.581 -18.190 5.568 923 HA ASP 126 HA ASP 126 5.239 -19.683 7.591 924 HB2 ASP 126 1HB ASP 126 7.260 -19.258 8.939 925 HB3 ASP 126 2HB ASP 126 7.660 -19.828 7.321 926 H TRP 127 H TRP 127 6.045 -16.267 7.167 927 HA TRP 127 HA TRP 127 5.377 -15.263 9.642 928 HB2 TRP 127 1HB TRP 127 6.328 -13.792 8.026 929 HB3 TRP 127 2HB TRP 127 5.011 -14.079 6.891 930 HD1 TRP 127 HD TRP 127 6.072 -11.792 9.646 931 HE1 TRP 127 1HE TRP 127 4.209 -10.086 10.139 932 HE3 TRP 127 3HE TRP 127 2.285 -13.930 6.959 933 HZ2 TRP 127 2HZ TRP 127 1.492 -9.699 9.476 934 HZ3 TRP 127 3HZ TRP 127 0.084 -12.829 6.941 935 HH2 TRP 127 HH TRP 127 -0.302 -10.757 8.174 936 H THR 128 H THR 128 3.487 -14.396 10.555 937 HA THR 128 HA THR 128 0.954 -15.162 9.278 938 HB THR 128 HB THR 128 0.128 -15.756 11.633 939 HG1 THR 128 1HG THR 128 1.767 -16.421 13.067 940 HG21 THR 128 1HG2 THR 128 2.098 -17.482 10.138 941 HG22 THR 128 2HG2 THR 128 0.340 -17.479 9.998 942 HG23 THR 128 3HG2 THR 128 1.106 -18.072 11.471 943 HA PRO 129 HA PRO 129 -0.376 -11.121 10.385 944 HB2 PRO 129 1HB PRO 129 -3.056 -11.526 10.529 945 HB3 PRO 129 2HB PRO 129 -2.172 -11.482 8.999 946 HG2 PRO 129 1HG PRO 129 -3.090 -13.847 10.588 947 HG3 PRO 129 2HG PRO 129 -3.159 -13.581 8.836 948 HD2 PRO 129 1HD PRO 129 -1.251 -15.107 10.005 949 HD3 PRO 129 2HD PRO 129 -0.947 -14.158 8.536 950 HA PRO 130 HA PRO 130 -0.850 -10.876 14.756 951 HB2 PRO 130 1HB PRO 130 -2.082 -8.468 14.984 952 HB3 PRO 130 2HB PRO 130 -0.376 -8.638 14.551 953 HG2 PRO 130 1HG PRO 130 -2.743 -8.165 12.780 954 HG3 PRO 130 2HG PRO 130 -1.139 -7.413 12.727 955 HD2 PRO 130 1HD PRO 130 -1.861 -9.421 11.061 956 HD3 PRO 130 2HD PRO 130 -0.194 -9.208 11.633 957 HA PRO 131 HA PRO 131 -4.856 -12.224 15.975 958 HB2 PRO 131 1HB PRO 131 -4.980 -11.309 18.528 959 HB3 PRO 131 2HB PRO 131 -3.955 -12.665 18.042 960 HG2 PRO 131 1HG PRO 131 -3.220 -9.796 18.478 961 HG3 PRO 131 2HG PRO 131 -2.354 -11.261 18.977 962 HD2 PRO 131 1HD PRO 131 -1.642 -9.818 16.799 963 HD3 PRO 131 2HD PRO 131 -1.433 -11.579 16.888 964 H GLU 132 H GLU 132 -4.178 -9.028 15.418 965 HA GLU 132 HA GLU 132 -6.663 -7.927 16.422 966 HB2 GLU 132 1HB GLU 132 -4.254 -6.832 15.038 967 HB3 GLU 132 2HB GLU 132 -5.752 -5.914 14.975 968 HG2 GLU 132 1HG GLU 132 -5.807 -5.644 17.310 969 HG3 GLU 132 2HG GLU 132 -4.568 -6.873 17.559 970 H VAL 133 H VAL 133 -7.644 -9.780 14.984 971 HA VAL 133 HA VAL 133 -7.890 -9.158 12.184 972 HB VAL 133 HB VAL 133 -9.393 -11.143 13.895 973 HG11 VAL 133 1HG1 VAL 133 -10.670 -11.694 12.148 974 HG12 VAL 133 2HG1 VAL 133 -10.176 -10.150 11.450 975 HG13 VAL 133 3HG1 VAL 133 -9.311 -11.628 11.027 976 HG21 VAL 133 1HG2 VAL 133 -7.841 -12.549 12.133 977 HG22 VAL 133 2HG2 VAL 133 -6.805 -11.180 12.537 978 HG23 VAL 133 3HG2 VAL 133 -7.430 -12.220 13.817 979 H THR 134 H THR 134 -9.437 -8.011 11.192 980 HA THR 134 HA THR 134 -11.698 -7.053 12.826 981 HB THR 134 HB THR 134 -10.386 -5.544 10.559 982 HG1 THR 134 1HG THR 134 -9.481 -4.268 12.224 983 HG21 THR 134 1HG2 THR 134 -12.837 -5.200 12.058 984 HG22 THR 134 2HG2 THR 134 -12.262 -4.335 10.632 985 HG23 THR 134 3HG2 THR 134 -11.771 -3.808 12.242 986 H SER 135 H SER 135 -13.245 -8.488 12.165 987 HA SER 135 HA SER 135 -13.617 -9.452 9.567 988 HB2 SER 135 1HB SER 135 -15.645 -9.083 11.785 989 HB3 SER 135 2HB SER 135 -15.912 -10.038 10.327 990 HG SER 135 HG SER 135 -15.203 -11.280 12.158 991 H GLY 136 H GLY 136 -15.653 -9.030 8.252 992 HA2 GLY 136 1HA GLY 136 -16.796 -6.401 8.361 993 HA3 GLY 136 2HA GLY 136 -15.596 -6.553 7.085 994 HA PRO 137 HA PRO 137 -19.622 -7.759 5.224 995 HB2 PRO 137 1HB PRO 137 -19.102 -6.599 2.825 996 HB3 PRO 137 2HB PRO 137 -19.774 -5.709 4.196 997 HG2 PRO 137 1HG PRO 137 -16.945 -5.840 3.226 998 HG3 PRO 137 2HG PRO 137 -17.875 -4.434 3.777 999 HD2 PRO 137 1HD PRO 137 -16.079 -5.703 5.357 1000 HD3 PRO 137 2HD PRO 137 -17.539 -4.927 6.003 1001 H SER 138 H SER 138 -16.304 -8.272 4.457 1002 HA SER 138 HA SER 138 -16.431 -9.787 2.137 1003 HB2 SER 138 1HB SER 138 -14.284 -9.172 2.967 1004 HB3 SER 138 2HB SER 138 -14.578 -9.961 4.516 1005 HG SER 138 HG SER 138 -14.581 -11.419 2.100 1006 H SER 139 H SER 139 -17.331 -11.670 1.649 1007 HA SER 139 HA SER 139 -18.777 -13.185 3.556 1008 HB2 SER 139 1HB SER 139 -19.240 -12.983 1.050 1009 HB3 SER 139 2HB SER 139 -17.955 -14.169 0.823 1010 HG SER 139 HG SER 139 -19.589 -15.497 1.076 1011 H GLY 140 H GLY 140 -15.865 -13.999 1.656 1012 HA2 GLY 140 1HA GLY 140 -13.957 -14.982 2.816 1013 HA3 GLY 140 2HA GLY 140 -15.102 -15.836 3.839 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -2.362 -15.161 -35.805 2 HA2 GLY 1 1HA GLY 1 -1.610 -17.609 -36.136 3 HA3 GLY 1 2HA GLY 1 -0.324 -17.139 -35.034 4 H SER 2 H SER 2 -3.850 -16.612 -35.129 5 HA SER 2 HA SER 2 -4.016 -17.859 -32.471 6 HB2 SER 2 1HB SER 2 -5.720 -16.127 -31.856 7 HB3 SER 2 2HB SER 2 -4.095 -15.478 -32.077 8 HG SER 2 HG SER 2 -6.285 -15.336 -33.870 9 H SER 3 H SER 3 -6.183 -18.613 -31.906 10 HA SER 3 HA SER 3 -7.380 -20.015 -34.080 11 HB2 SER 3 1HB SER 3 -7.880 -19.816 -31.138 12 HB3 SER 3 2HB SER 3 -9.136 -20.508 -32.165 13 HG SER 3 HG SER 3 -8.004 -22.263 -32.193 14 H GLY 4 H GLY 4 -8.655 -17.531 -31.854 15 HA2 GLY 4 1HA GLY 4 -10.533 -16.751 -33.999 16 HA3 GLY 4 2HA GLY 4 -11.024 -16.833 -32.313 17 H SER 5 H SER 5 -10.806 -15.068 -31.076 18 HA SER 5 HA SER 5 -8.817 -13.085 -31.451 19 HB2 SER 5 1HB SER 5 -10.251 -11.231 -32.201 20 HB3 SER 5 2HB SER 5 -10.188 -12.514 -33.410 21 HG SER 5 HG SER 5 -12.235 -12.507 -31.485 22 H SER 6 H SER 6 -8.896 -11.435 -29.858 23 HA SER 6 HA SER 6 -11.055 -11.330 -27.966 24 HB2 SER 6 1HB SER 6 -8.488 -12.742 -27.294 25 HB3 SER 6 2HB SER 6 -9.407 -11.911 -26.039 26 HG SER 6 HG SER 6 -10.536 -13.843 -27.778 27 H GLY 7 H GLY 7 -11.081 -9.422 -26.888 28 HA2 GLY 7 1HA GLY 7 -8.726 -7.675 -27.260 29 HA3 GLY 7 2HA GLY 7 -10.385 -7.094 -27.284 30 H ASP 8 H ASP 8 -7.739 -6.954 -25.500 31 HA ASP 8 HA ASP 8 -9.260 -6.797 -22.989 32 HB2 ASP 8 1HB ASP 8 -7.917 -8.848 -22.929 33 HB3 ASP 8 2HB ASP 8 -6.466 -7.919 -23.297 34 H ASP 9 H ASP 9 -8.865 -4.632 -24.625 35 HA ASP 9 HA ASP 9 -6.543 -3.168 -23.673 36 HB2 ASP 9 1HB ASP 9 -8.786 -2.327 -25.523 37 HB3 ASP 9 2HB ASP 9 -7.345 -1.376 -25.171 38 H ASP 10 H ASP 10 -8.229 -3.878 -21.596 39 HA ASP 10 HA ASP 10 -9.193 -1.238 -20.742 40 HB2 ASP 10 1HB ASP 10 -11.249 -2.245 -21.142 41 HB3 ASP 10 2HB ASP 10 -10.668 -3.845 -20.688 42 H LEU 11 H LEU 11 -8.955 -4.502 -19.327 43 HA LEU 11 HA LEU 11 -8.191 -3.606 -16.780 44 HB2 LEU 11 1HB LEU 11 -7.525 -6.283 -17.981 45 HB3 LEU 11 2HB LEU 11 -7.703 -5.888 -16.273 46 HG LEU 11 HG LEU 11 -9.992 -5.724 -18.219 47 HD11 LEU 11 1HD1 LEU 11 -9.208 -8.058 -16.480 48 HD12 LEU 11 2HD1 LEU 11 -9.117 -8.005 -18.240 49 HD13 LEU 11 3HD1 LEU 11 -10.684 -7.922 -17.436 50 HD21 LEU 11 1HD2 LEU 11 -11.302 -5.303 -16.429 51 HD22 LEU 11 2HD2 LEU 11 -9.793 -4.695 -15.746 52 HD23 LEU 11 3HD2 LEU 11 -10.348 -6.323 -15.352 53 H GLU 12 H GLU 12 -6.519 -2.084 -17.080 54 HA GLU 12 HA GLU 12 -3.884 -3.322 -17.453 55 HB2 GLU 12 1HB GLU 12 -3.089 -1.528 -18.807 56 HB3 GLU 12 2HB GLU 12 -4.594 -2.086 -19.524 57 HG2 GLU 12 1HG GLU 12 -5.698 -0.199 -18.182 58 HG3 GLU 12 2HG GLU 12 -4.063 0.432 -17.997 59 H VAL 13 H VAL 13 -2.109 -1.893 -16.609 60 HA VAL 13 HA VAL 13 -2.970 -0.079 -14.481 61 HB VAL 13 HB VAL 13 -1.183 -2.471 -14.031 62 HG11 VAL 13 1HG1 VAL 13 -1.378 -1.461 -11.596 63 HG12 VAL 13 2HG1 VAL 13 -0.111 -0.946 -12.711 64 HG13 VAL 13 3HG1 VAL 13 -1.554 0.046 -12.495 65 HG21 VAL 13 1HG2 VAL 13 -3.411 -3.183 -13.864 66 HG22 VAL 13 2HG2 VAL 13 -2.919 -2.871 -12.199 67 HG23 VAL 13 3HG2 VAL 13 -3.917 -1.698 -13.058 68 H LYS 14 H LYS 14 -1.677 1.648 -14.268 69 HA LYS 14 HA LYS 14 0.607 1.877 -16.038 70 HB2 LYS 14 1HB LYS 14 -0.975 3.784 -14.354 71 HB3 LYS 14 2HB LYS 14 0.620 4.252 -14.930 72 HG2 LYS 14 1HG LYS 14 -1.311 3.166 -16.905 73 HG3 LYS 14 2HG LYS 14 -1.571 4.801 -16.291 74 HD2 LYS 14 1HD LYS 14 0.788 5.329 -16.916 75 HD3 LYS 14 2HD LYS 14 0.889 3.741 -17.679 76 HE2 LYS 14 1HE LYS 14 0.299 4.991 -19.493 77 HE3 LYS 14 2HE LYS 14 -1.307 4.584 -18.889 78 HZ1 LYS 14 1HZ LYS 14 -0.328 6.933 -17.637 79 HZ2 LYS 14 2HZ LYS 14 -1.738 6.717 -18.546 80 HZ3 LYS 14 3HZ LYS 14 -0.284 7.107 -19.319 81 H GLU 15 H GLU 15 2.458 3.330 -14.964 82 HA GLU 15 HA GLU 15 3.121 2.506 -12.273 83 HB2 GLU 15 1HB GLU 15 5.103 1.295 -12.786 84 HB3 GLU 15 2HB GLU 15 3.819 0.596 -13.762 85 HG2 GLU 15 1HG GLU 15 5.497 2.745 -14.946 86 HG3 GLU 15 2HG GLU 15 6.178 1.128 -14.780 87 H GLU 16 H GLU 16 4.787 3.724 -11.347 88 HA GLU 16 HA GLU 16 5.887 5.884 -13.011 89 HB2 GLU 16 1HB GLU 16 4.606 6.157 -10.290 90 HB3 GLU 16 2HB GLU 16 5.583 7.414 -11.037 91 HG2 GLU 16 1HG GLU 16 3.070 6.266 -12.227 92 HG3 GLU 16 2HG GLU 16 3.154 7.761 -11.297 93 H ASN 17 H ASN 17 7.962 5.197 -13.099 94 HA ASN 17 HA ASN 17 10.082 4.697 -12.441 95 HB2 ASN 17 1HB ASN 17 9.354 6.032 -9.830 96 HB3 ASN 17 2HB ASN 17 10.955 5.882 -10.549 97 HD21 ASN 17 1HD2 ASN 17 8.262 7.828 -10.191 98 HD22 ASN 17 2HD2 ASN 17 8.627 9.005 -11.402 99 H GLY 18 H GLY 18 7.844 2.847 -11.782 100 HA2 GLY 18 1HA GLY 18 8.396 0.591 -11.028 101 HA3 GLY 18 2HA GLY 18 9.252 1.324 -9.680 102 H VAL 19 H VAL 19 6.849 3.296 -9.638 103 HA VAL 19 HA VAL 19 5.328 1.729 -7.718 104 HB VAL 19 HB VAL 19 5.106 4.651 -8.458 105 HG11 VAL 19 1HG1 VAL 19 3.155 4.584 -7.391 106 HG12 VAL 19 2HG1 VAL 19 3.416 2.916 -6.879 107 HG13 VAL 19 3HG1 VAL 19 4.060 4.247 -5.916 108 HG21 VAL 19 1HG2 VAL 19 6.277 5.086 -6.386 109 HG22 VAL 19 2HG2 VAL 19 6.360 3.359 -6.036 110 HG23 VAL 19 3HG2 VAL 19 7.250 4.025 -7.405 111 H TRP 20 H TRP 20 3.887 0.411 -8.682 112 HA TRP 20 HA TRP 20 2.507 0.996 -11.077 113 HB2 TRP 20 1HB TRP 20 1.787 -0.986 -8.906 114 HB3 TRP 20 2HB TRP 20 1.145 -0.976 -10.546 115 HD1 TRP 20 HD TRP 20 4.014 -2.253 -8.510 116 HE1 TRP 20 1HE TRP 20 5.665 -3.519 -10.025 117 HE3 TRP 20 3HE TRP 20 2.149 -0.880 -13.068 118 HZ2 TRP 20 2HZ TRP 20 6.117 -3.887 -12.787 119 HZ3 TRP 20 3HZ TRP 20 3.249 -1.732 -15.098 120 HH2 TRP 20 HH TRP 20 5.192 -3.204 -14.958 121 H VAL 21 H VAL 21 0.393 1.647 -11.448 122 HA VAL 21 HA VAL 21 -0.819 3.157 -9.244 123 HB VAL 21 HB VAL 21 -1.327 3.321 -12.218 124 HG11 VAL 21 1HG1 VAL 21 -2.877 5.001 -11.840 125 HG12 VAL 21 2HG1 VAL 21 -3.236 3.855 -10.547 126 HG13 VAL 21 3HG1 VAL 21 -2.297 5.309 -10.204 127 HG21 VAL 21 1HG2 VAL 21 0.688 4.370 -12.028 128 HG22 VAL 21 2HG2 VAL 21 -0.371 5.719 -11.616 129 HG23 VAL 21 3HG2 VAL 21 0.430 4.805 -10.338 130 H LEU 22 H LEU 22 -2.143 1.830 -8.130 131 HA LEU 22 HA LEU 22 -3.928 0.029 -9.584 132 HB2 LEU 22 1HB LEU 22 -3.204 0.304 -6.679 133 HB3 LEU 22 2HB LEU 22 -4.510 -0.739 -7.237 134 HG LEU 22 HG LEU 22 -1.564 -1.019 -7.801 135 HD11 LEU 22 1HD1 LEU 22 -3.566 -2.772 -6.385 136 HD12 LEU 22 2HD1 LEU 22 -2.256 -1.856 -5.641 137 HD13 LEU 22 3HD1 LEU 22 -1.888 -3.203 -6.717 138 HD21 LEU 22 1HD2 LEU 22 -2.280 -3.087 -9.045 139 HD22 LEU 22 2HD2 LEU 22 -2.629 -1.557 -9.850 140 HD23 LEU 22 3HD2 LEU 22 -3.919 -2.436 -9.028 141 H ASN 23 H ASN 23 -6.207 -0.119 -8.821 142 HA ASN 23 HA ASN 23 -7.404 2.100 -7.491 143 HB2 ASN 23 1HB ASN 23 -8.817 2.558 -9.712 144 HB3 ASN 23 2HB ASN 23 -7.338 3.441 -9.345 145 HD21 ASN 23 1HD2 ASN 23 -8.668 0.742 -11.153 146 HD22 ASN 23 2HD2 ASN 23 -7.445 0.716 -12.373 147 H ASP 24 H ASP 24 -9.826 1.958 -7.568 148 HA ASP 24 HA ASP 24 -10.698 -0.585 -6.871 149 HB2 ASP 24 1HB ASP 24 -13.043 0.480 -7.392 150 HB3 ASP 24 2HB ASP 24 -12.070 1.086 -6.055 151 H GLY 25 H GLY 25 -10.092 0.664 -9.955 152 HA2 GLY 25 1HA GLY 25 -11.975 -1.126 -11.294 153 HA3 GLY 25 2HA GLY 25 -10.953 0.076 -12.069 154 H ASN 26 H ASN 26 -8.650 -1.014 -10.390 155 HA ASN 26 HA ASN 26 -8.205 -3.518 -11.866 156 HB2 ASN 26 1HB ASN 26 -5.979 -2.858 -12.473 157 HB3 ASN 26 2HB ASN 26 -7.068 -1.569 -12.977 158 HD21 ASN 26 1HD2 ASN 26 -5.518 0.013 -12.958 159 HD22 ASN 26 2HD2 ASN 26 -4.803 0.613 -11.505 160 H PHE 27 H PHE 27 -8.764 -2.528 -8.981 161 HA PHE 27 HA PHE 27 -6.469 -3.228 -7.458 162 HB2 PHE 27 1HB PHE 27 -8.350 -1.788 -6.640 163 HB3 PHE 27 2HB PHE 27 -9.354 -3.232 -6.554 164 HD1 PHE 27 1HD PHE 27 -6.466 -1.487 -5.112 165 HD2 PHE 27 2HD PHE 27 -9.082 -4.830 -4.797 166 HE1 PHE 27 1HE PHE 27 -5.624 -1.928 -2.842 167 HE2 PHE 27 2HE PHE 27 -8.244 -5.276 -2.527 168 HZ PHE 27 HZ PHE 27 -6.514 -3.824 -1.546 169 H ASP 28 H ASP 28 -9.610 -4.905 -7.465 170 HA ASP 28 HA ASP 28 -8.701 -7.303 -6.416 171 HB2 ASP 28 1HB ASP 28 -11.051 -6.616 -8.164 172 HB3 ASP 28 2HB ASP 28 -10.751 -8.278 -7.664 173 H ASN 29 H ASN 29 -8.955 -6.303 -9.804 174 HA ASN 29 HA ASN 29 -8.287 -8.719 -11.015 175 HB2 ASN 29 1HB ASN 29 -8.080 -5.848 -11.808 176 HB3 ASN 29 2HB ASN 29 -7.246 -7.046 -12.795 177 HD21 ASN 29 1HD2 ASN 29 -10.243 -5.651 -11.947 178 HD22 ASN 29 2HD2 ASN 29 -11.239 -6.593 -12.998 179 H PHE 30 H PHE 30 -6.188 -6.111 -9.848 180 HA PHE 30 HA PHE 30 -3.755 -7.230 -10.723 181 HB2 PHE 30 1HB PHE 30 -4.169 -4.846 -9.939 182 HB3 PHE 30 2HB PHE 30 -4.088 -5.470 -8.295 183 HD1 PHE 30 1HD PHE 30 -2.162 -5.133 -11.439 184 HD2 PHE 30 2HD PHE 30 -2.030 -5.819 -7.240 185 HE1 PHE 30 1HE PHE 30 0.289 -4.917 -11.484 186 HE2 PHE 30 2HE PHE 30 0.421 -5.603 -7.278 187 HZ PHE 30 HZ PHE 30 1.583 -5.151 -9.402 188 H VAL 31 H VAL 31 -5.102 -7.133 -7.418 189 HA VAL 31 HA VAL 31 -3.239 -8.934 -6.321 190 HB VAL 31 HB VAL 31 -4.642 -9.040 -4.388 191 HG11 VAL 31 1HG1 VAL 31 -4.255 -6.467 -5.760 192 HG12 VAL 31 2HG1 VAL 31 -5.411 -6.447 -4.427 193 HG13 VAL 31 3HG1 VAL 31 -3.754 -6.984 -4.150 194 HG21 VAL 31 1HG2 VAL 31 -6.830 -7.979 -6.169 195 HG22 VAL 31 2HG2 VAL 31 -6.762 -9.560 -5.391 196 HG23 VAL 31 3HG2 VAL 31 -6.948 -8.104 -4.414 197 H ALA 32 H ALA 32 -6.037 -9.435 -8.249 198 HA ALA 32 HA ALA 32 -6.960 -11.913 -7.483 199 HB1 ALA 32 1HB ALA 32 -6.884 -11.897 -10.318 200 HB2 ALA 32 2HB ALA 32 -8.248 -11.555 -9.252 201 HB3 ALA 32 3HB ALA 32 -7.185 -10.247 -9.772 202 H ASP 33 H ASP 33 -4.067 -11.118 -9.316 203 HA ASP 33 HA ASP 33 -3.314 -13.968 -9.243 204 HB2 ASP 33 1HB ASP 33 -2.960 -11.893 -11.368 205 HB3 ASP 33 2HB ASP 33 -1.752 -13.166 -11.211 206 H LYS 34 H LYS 34 -2.825 -12.328 -7.069 207 HA LYS 34 HA LYS 34 0.056 -12.484 -6.934 208 HB2 LYS 34 1HB LYS 34 -1.341 -9.838 -6.489 209 HB3 LYS 34 2HB LYS 34 0.359 -10.162 -6.177 210 HG2 LYS 34 1HG LYS 34 0.619 -10.697 -8.604 211 HG3 LYS 34 2HG LYS 34 -1.037 -10.133 -8.841 212 HD2 LYS 34 1HD LYS 34 0.121 -8.210 -9.304 213 HD3 LYS 34 2HD LYS 34 -0.142 -8.007 -7.570 214 HE2 LYS 34 1HE LYS 34 2.306 -9.439 -8.461 215 HE3 LYS 34 2HE LYS 34 2.246 -7.690 -8.674 216 HZ1 LYS 34 1HZ LYS 34 2.742 -9.155 -6.325 217 HZ2 LYS 34 2HZ LYS 34 1.334 -8.244 -6.105 218 HZ3 LYS 34 3HZ LYS 34 2.776 -7.478 -6.550 219 H ASP 35 H ASP 35 0.574 -13.299 -5.018 220 HA ASP 35 HA ASP 35 -1.380 -13.657 -2.977 221 HB2 ASP 35 1HB ASP 35 0.771 -14.427 -1.681 222 HB3 ASP 35 2HB ASP 35 0.141 -15.398 -3.009 223 H THR 36 H THR 36 1.631 -11.762 -3.126 224 HA THR 36 HA THR 36 0.605 -10.133 -0.893 225 HB THR 36 HB THR 36 3.510 -10.494 -1.643 226 HG1 THR 36 1HG THR 36 2.005 -11.731 0.442 227 HG21 THR 36 1HG2 THR 36 3.883 -9.551 0.625 228 HG22 THR 36 2HG2 THR 36 2.147 -9.265 0.755 229 HG23 THR 36 3HG2 THR 36 3.091 -8.422 -0.473 230 H VAL 37 H VAL 37 0.076 -8.119 -1.400 231 HA VAL 37 HA VAL 37 1.529 -6.768 -3.571 232 HB VAL 37 HB VAL 37 -1.452 -6.533 -3.156 233 HG11 VAL 37 1HG1 VAL 37 0.429 -5.462 -5.252 234 HG12 VAL 37 2HG1 VAL 37 -1.329 -5.443 -5.405 235 HG13 VAL 37 3HG1 VAL 37 -0.546 -4.540 -4.108 236 HG21 VAL 37 1HG2 VAL 37 -0.695 -7.693 -5.672 237 HG22 VAL 37 2HG2 VAL 37 -0.051 -8.654 -4.341 238 HG23 VAL 37 3HG2 VAL 37 -1.780 -8.324 -4.433 239 H LEU 38 H LEU 38 2.411 -4.943 -2.880 240 HA LEU 38 HA LEU 38 1.661 -3.810 -0.338 241 HB2 LEU 38 1HB LEU 38 3.992 -3.909 -0.908 242 HB3 LEU 38 2HB LEU 38 3.709 -3.009 -2.397 243 HG LEU 38 HG LEU 38 3.149 -1.017 -1.072 244 HD11 LEU 38 1HD1 LEU 38 2.522 -1.267 1.041 245 HD12 LEU 38 2HD1 LEU 38 4.199 -1.634 1.443 246 HD13 LEU 38 3HD1 LEU 38 3.077 -2.941 1.064 247 HD21 LEU 38 1HD2 LEU 38 5.329 -0.400 -0.722 248 HD22 LEU 38 2HD2 LEU 38 5.557 -1.816 -1.749 249 HD23 LEU 38 3HD2 LEU 38 5.770 -1.948 -0.002 250 H LEU 39 H LEU 39 0.177 -2.295 -0.045 251 HA LEU 39 HA LEU 39 -0.559 -0.588 -2.332 252 HB2 LEU 39 1HB LEU 39 -2.356 -1.172 -0.003 253 HB3 LEU 39 2HB LEU 39 -2.784 -0.547 -1.595 254 HG LEU 39 HG LEU 39 -1.778 -3.350 -1.146 255 HD11 LEU 39 1HD1 LEU 39 -4.244 -2.279 -0.306 256 HD12 LEU 39 2HD1 LEU 39 -3.758 -3.973 -0.373 257 HD13 LEU 39 3HD1 LEU 39 -4.566 -3.233 -1.755 258 HD21 LEU 39 1HD2 LEU 39 -2.407 -3.770 -3.338 259 HD22 LEU 39 2HD2 LEU 39 -1.724 -2.146 -3.435 260 HD23 LEU 39 3HD2 LEU 39 -3.474 -2.367 -3.408 261 H GLU 40 H GLU 40 -0.483 1.571 -2.091 262 HA GLU 40 HA GLU 40 -0.148 2.669 0.614 263 HB2 GLU 40 1HB GLU 40 2.081 2.523 -0.320 264 HB3 GLU 40 2HB GLU 40 1.552 3.310 -1.800 265 HG2 GLU 40 1HG GLU 40 1.185 4.763 0.761 266 HG3 GLU 40 2HG GLU 40 2.815 4.621 0.106 267 H PHE 41 H PHE 41 -1.772 4.023 0.952 268 HA PHE 41 HA PHE 41 -3.102 5.321 -1.277 269 HB2 PHE 41 1HB PHE 41 -3.723 5.435 1.682 270 HB3 PHE 41 2HB PHE 41 -4.753 6.032 0.384 271 HD1 PHE 41 2HD PHE 41 -3.169 2.936 1.687 272 HD2 PHE 41 1HD PHE 41 -6.333 4.643 -0.592 273 HE1 PHE 41 2HE PHE 41 -4.243 0.727 1.529 274 HE2 PHE 41 1HE PHE 41 -7.412 2.437 -0.753 275 HZ PHE 41 HZ PHE 41 -6.366 0.476 0.308 276 H TYR 42 H TYR 42 -3.443 7.588 -1.412 277 HA TYR 42 HA TYR 42 -1.935 9.358 0.303 278 HB2 TYR 42 1HB TYR 42 -0.423 10.203 -1.291 279 HB3 TYR 42 2HB TYR 42 -0.332 8.456 -1.487 280 HD1 TYR 42 2HD TYR 42 -1.656 11.571 -2.961 281 HD2 TYR 42 1HD TYR 42 -0.977 7.409 -3.528 282 HE1 TYR 42 2HE TYR 42 -2.172 11.818 -5.353 283 HE2 TYR 42 1HE TYR 42 -1.490 7.645 -5.922 284 HH TYR 42 HH TYR 42 -2.315 10.807 -7.320 285 H ALA 43 H ALA 43 -2.031 11.684 -0.825 286 HA ALA 43 HA ALA 43 -4.592 12.065 -2.176 287 HB1 ALA 43 1HB ALA 43 -4.101 13.886 0.106 288 HB2 ALA 43 2HB ALA 43 -5.618 13.276 -0.555 289 HB3 ALA 43 3HB ALA 43 -4.632 12.246 0.482 290 HA PRO 44 HA PRO 44 -2.229 15.054 -4.393 291 HB2 PRO 44 1HB PRO 44 -4.278 16.450 -5.500 292 HB3 PRO 44 2HB PRO 44 -3.804 14.839 -6.052 293 HG2 PRO 44 1HG PRO 44 -6.034 15.634 -4.220 294 HG3 PRO 44 2HG PRO 44 -6.039 14.451 -5.541 295 HD2 PRO 44 1HD PRO 44 -5.825 13.729 -2.940 296 HD3 PRO 44 2HD PRO 44 -5.049 12.818 -4.252 297 H TRP 45 H TRP 45 -4.561 15.909 -1.975 298 HA TRP 45 HA TRP 45 -3.687 18.698 -1.948 299 HB2 TRP 45 1HB TRP 45 -5.465 18.667 0.025 300 HB3 TRP 45 2HB TRP 45 -5.962 18.758 -1.663 301 HD1 TRP 45 HD TRP 45 -7.489 16.862 -2.552 302 HE1 TRP 45 1HE TRP 45 -8.456 14.699 -1.546 303 HE3 TRP 45 3HE TRP 45 -4.797 16.713 1.792 304 HZ2 TRP 45 2HZ TRP 45 -8.122 13.137 0.782 305 HZ3 TRP 45 3HZ TRP 45 -5.181 14.851 3.354 306 HH2 TRP 45 HH TRP 45 -6.810 13.102 2.858 307 H CYS 46 H CYS 46 -2.405 15.998 -0.849 308 HA CYS 46 HA CYS 46 -1.765 17.002 1.834 309 HB2 CYS 46 1HB CYS 46 -2.599 14.651 1.584 310 HB3 CYS 46 2HB CYS 46 -1.147 14.285 0.660 311 HG CYS 46 HG CYS 46 -0.926 13.265 3.281 312 H GLY 47 H GLY 47 0.234 17.681 2.366 313 HA2 GLY 47 1HA GLY 47 2.157 17.997 0.215 314 HA3 GLY 47 2HA GLY 47 2.266 18.694 1.824 315 H HIS 48 H HIS 48 2.087 16.461 3.419 316 HA HIS 48 HA HIS 48 4.631 15.572 3.696 317 HB2 HIS 48 1HB HIS 48 2.483 15.108 5.120 318 HB3 HIS 48 2HB HIS 48 2.412 13.617 4.185 319 HD1 HIS 48 1HD HIS 48 3.462 11.745 5.387 320 HD2 HIS 48 2HD HIS 48 5.336 15.353 6.240 321 HE1 HIS 48 1HE HIS 48 5.300 11.181 7.008 322 HE2 HIS 48 2HE HIS 48 6.365 13.392 7.575 323 H CYS 49 H CYS 49 2.262 14.415 1.411 324 HA CYS 49 HA CYS 49 3.600 12.031 0.666 325 HB2 CYS 49 1HB CYS 49 1.534 13.738 -0.716 326 HB3 CYS 49 2HB CYS 49 2.174 12.268 -1.439 327 HG CYS 49 HG CYS 49 0.244 12.560 1.356 328 H LYS 50 H LYS 50 3.574 15.305 -0.700 329 HA LYS 50 HA LYS 50 5.043 14.999 -2.970 330 HB2 LYS 50 1HB LYS 50 5.338 17.214 -0.933 331 HB3 LYS 50 2HB LYS 50 5.902 17.291 -2.597 332 HG2 LYS 50 1HG LYS 50 3.593 17.047 -3.382 333 HG3 LYS 50 2HG LYS 50 3.039 17.008 -1.706 334 HD2 LYS 50 1HD LYS 50 3.463 19.242 -1.372 335 HD3 LYS 50 2HD LYS 50 4.724 19.296 -2.606 336 HE2 LYS 50 1HE LYS 50 2.900 20.506 -3.489 337 HE3 LYS 50 2HE LYS 50 2.886 18.946 -4.309 338 HZ1 LYS 50 1HZ LYS 50 1.156 18.205 -2.794 339 HZ2 LYS 50 2HZ LYS 50 0.668 19.597 -3.621 340 HZ3 LYS 50 3HZ LYS 50 1.167 19.703 -2.008 341 H GLN 51 H GLN 51 6.212 14.889 0.332 342 HA GLN 51 HA GLN 51 8.988 14.778 -0.493 343 HB2 GLN 51 1HB GLN 51 9.003 15.792 1.535 344 HB3 GLN 51 2HB GLN 51 7.520 15.003 2.057 345 HG2 GLN 51 1HG GLN 51 8.611 13.237 2.968 346 HG3 GLN 51 2HG GLN 51 9.937 13.315 1.809 347 HE21 GLN 51 1HE2 GLN 51 11.731 14.478 2.289 348 HE22 GLN 51 2HE2 GLN 51 11.988 15.275 3.800 349 H PHE 52 H PHE 52 6.452 12.589 0.512 350 HA PHE 52 HA PHE 52 8.220 10.331 0.795 351 HB2 PHE 52 1HB PHE 52 5.969 10.731 2.005 352 HB3 PHE 52 2HB PHE 52 5.230 10.153 0.515 353 HD1 PHE 52 1HD PHE 52 7.962 9.151 2.854 354 HD2 PHE 52 2HD PHE 52 4.685 7.932 0.427 355 HE1 PHE 52 1HE PHE 52 8.271 6.830 3.610 356 HE2 PHE 52 2HE PHE 52 4.988 5.609 1.180 357 HZ PHE 52 HZ PHE 52 6.782 5.056 2.773 358 H ALA 53 H ALA 53 6.924 11.963 -1.807 359 HA ALA 53 HA ALA 53 6.106 10.012 -3.593 360 HB1 ALA 53 1HB ALA 53 5.765 11.972 -4.617 361 HB2 ALA 53 2HB ALA 53 7.108 12.752 -3.780 362 HB3 ALA 53 3HB ALA 53 7.412 11.777 -5.218 363 HA PRO 54 HA PRO 54 10.654 9.508 -5.128 364 HB2 PRO 54 1HB PRO 54 12.611 10.709 -3.679 365 HB3 PRO 54 2HB PRO 54 11.775 11.510 -5.014 366 HG2 PRO 54 1HG PRO 54 11.308 11.755 -2.068 367 HG3 PRO 54 2HG PRO 54 11.353 13.027 -3.303 368 HD2 PRO 54 1HD PRO 54 9.034 12.025 -2.327 369 HD3 PRO 54 2HD PRO 54 9.197 12.602 -3.998 370 H GLU 55 H GLU 55 10.269 9.788 -1.621 371 HA GLU 55 HA GLU 55 12.145 7.841 -0.870 372 HB2 GLU 55 1HB GLU 55 10.957 9.525 0.622 373 HB3 GLU 55 2HB GLU 55 9.583 8.429 0.607 374 HG2 GLU 55 1HG GLU 55 11.013 8.190 2.601 375 HG3 GLU 55 2HG GLU 55 10.863 6.705 1.664 376 H TYR 56 H TYR 56 8.784 7.594 -1.862 377 HA TYR 56 HA TYR 56 8.498 4.838 -1.167 378 HB2 TYR 56 1HB TYR 56 6.644 6.597 -1.507 379 HB3 TYR 56 2HB TYR 56 6.833 6.271 -3.226 380 HD1 TYR 56 1HD TYR 56 6.828 4.018 -0.244 381 HD2 TYR 56 2HD TYR 56 5.006 5.053 -3.947 382 HE1 TYR 56 1HE TYR 56 5.322 2.084 -0.037 383 HE2 TYR 56 2HE TYR 56 3.494 3.123 -3.750 384 HH TYR 56 HH TYR 56 2.722 1.524 -2.355 385 H GLU 57 H GLU 57 8.989 6.561 -4.242 386 HA GLU 57 HA GLU 57 8.972 4.482 -6.016 387 HB2 GLU 57 1HB GLU 57 10.845 6.854 -5.981 388 HB3 GLU 57 2HB GLU 57 10.608 5.795 -7.364 389 HG2 GLU 57 1HG GLU 57 8.348 6.483 -7.608 390 HG3 GLU 57 2HG GLU 57 8.380 7.342 -6.070 391 H LYS 58 H LYS 58 11.756 5.580 -4.096 392 HA LYS 58 HA LYS 58 13.700 3.873 -5.019 393 HB2 LYS 58 1HB LYS 58 13.221 4.802 -2.183 394 HB3 LYS 58 2HB LYS 58 14.705 4.040 -2.739 395 HG2 LYS 58 1HG LYS 58 14.754 5.947 -4.481 396 HG3 LYS 58 2HG LYS 58 13.609 6.741 -3.397 397 HD2 LYS 58 1HD LYS 58 15.232 6.453 -1.546 398 HD3 LYS 58 2HD LYS 58 16.383 5.775 -2.700 399 HE2 LYS 58 1HE LYS 58 15.166 8.523 -2.935 400 HE3 LYS 58 2HE LYS 58 16.729 8.195 -2.188 401 HZ1 LYS 58 1HZ LYS 58 17.524 7.316 -4.276 402 HZ2 LYS 58 2HZ LYS 58 16.940 8.886 -4.506 403 HZ3 LYS 58 3HZ LYS 58 16.014 7.559 -5.000 404 H ILE 59 H ILE 59 11.502 3.242 -2.282 405 HA ILE 59 HA ILE 59 12.318 0.654 -1.712 406 HB ILE 59 HB ILE 59 9.521 1.773 -1.492 407 HG12 ILE 59 1HG1 ILE 59 11.552 1.548 0.718 408 HG13 ILE 59 2HG1 ILE 59 11.486 2.968 -0.320 409 HG21 ILE 59 1HG2 ILE 59 10.809 -0.624 -0.196 410 HG22 ILE 59 2HG2 ILE 59 9.250 0.052 0.275 411 HG23 ILE 59 3HG2 ILE 59 9.466 -0.625 -1.339 412 HD11 ILE 59 1HD1 ILE 59 9.266 3.468 0.400 413 HD12 ILE 59 2HD1 ILE 59 9.161 1.947 1.289 414 HD13 ILE 59 3HD1 ILE 59 10.271 3.208 1.827 415 H ALA 60 H ALA 60 9.948 1.790 -4.077 416 HA ALA 60 HA ALA 60 8.719 -0.488 -4.889 417 HB1 ALA 60 1HB ALA 60 9.644 1.021 -7.195 418 HB2 ALA 60 2HB ALA 60 8.006 0.759 -6.595 419 HB3 ALA 60 3HB ALA 60 8.997 2.053 -5.919 420 H SER 61 H SER 61 11.723 0.683 -6.427 421 HA SER 61 HA SER 61 12.216 -1.721 -7.817 422 HB2 SER 61 1HB SER 61 13.329 0.093 -8.744 423 HB3 SER 61 2HB SER 61 13.839 0.715 -7.175 424 HG SER 61 HG SER 61 15.606 -0.195 -8.215 425 H THR 62 H THR 62 13.287 -0.513 -4.687 426 HA THR 62 HA THR 62 15.296 -2.278 -4.055 427 HB THR 62 HB THR 62 13.147 -1.305 -2.161 428 HG1 THR 62 1HG THR 62 14.050 0.538 -2.784 429 HG21 THR 62 1HG2 THR 62 15.567 -1.472 -0.818 430 HG22 THR 62 2HG2 THR 62 15.521 -2.938 -1.797 431 HG23 THR 62 3HG2 THR 62 14.210 -2.588 -0.670 432 H LEU 63 H LEU 63 11.840 -2.733 -3.277 433 HA LEU 63 HA LEU 63 12.135 -5.386 -2.369 434 HB2 LEU 63 1HB LEU 63 9.738 -3.894 -3.415 435 HB3 LEU 63 2HB LEU 63 9.655 -5.507 -2.709 436 HG LEU 63 HG LEU 63 10.732 -3.144 -1.191 437 HD11 LEU 63 1HD1 LEU 63 7.997 -4.060 -0.618 438 HD12 LEU 63 2HD1 LEU 63 8.200 -3.171 -2.127 439 HD13 LEU 63 3HD1 LEU 63 8.682 -2.435 -0.599 440 HD21 LEU 63 1HD2 LEU 63 11.120 -4.659 0.380 441 HD22 LEU 63 2HD2 LEU 63 10.527 -5.930 -0.690 442 HD23 LEU 63 3HD2 LEU 63 9.411 -5.094 0.391 443 H LYS 64 H LYS 64 11.866 -4.018 -5.528 444 HA LYS 64 HA LYS 64 10.779 -5.949 -7.096 445 HB2 LYS 64 1HB LYS 64 12.086 -3.710 -7.658 446 HB3 LYS 64 2HB LYS 64 13.399 -4.833 -7.989 447 HG2 LYS 64 1HG LYS 64 12.480 -4.728 -10.058 448 HG3 LYS 64 2HG LYS 64 11.514 -6.048 -9.395 449 HD2 LYS 64 1HD LYS 64 9.837 -4.740 -10.223 450 HD3 LYS 64 2HD LYS 64 9.978 -4.036 -8.610 451 HE2 LYS 64 1HE LYS 64 9.951 -2.181 -10.019 452 HE3 LYS 64 2HE LYS 64 11.665 -2.424 -9.687 453 HZ1 LYS 64 1HZ LYS 64 11.883 -3.560 -11.803 454 HZ2 LYS 64 2HZ LYS 64 11.260 -2.004 -12.032 455 HZ3 LYS 64 3HZ LYS 64 10.235 -3.347 -12.121 456 H ASP 65 H ASP 65 14.098 -5.935 -5.838 457 HA ASP 65 HA ASP 65 14.794 -8.431 -7.034 458 HB2 ASP 65 1HB ASP 65 16.879 -8.131 -6.102 459 HB3 ASP 65 2HB ASP 65 16.303 -6.466 -6.115 460 H ASN 66 H ASN 66 13.365 -7.458 -4.006 461 HA ASN 66 HA ASN 66 13.816 -9.591 -2.356 462 HB2 ASN 66 1HB ASN 66 12.436 -7.508 -1.883 463 HB3 ASN 66 2HB ASN 66 11.089 -8.334 -2.660 464 HD21 ASN 66 1HD2 ASN 66 10.120 -10.070 -1.644 465 HD22 ASN 66 2HD2 ASN 66 10.396 -10.442 0.020 466 H ASP 67 H ASP 67 12.957 -11.620 -2.039 467 HA ASP 67 HA ASP 67 11.319 -12.675 -4.251 468 HB2 ASP 67 1HB ASP 67 13.469 -13.685 -4.411 469 HB3 ASP 67 2HB ASP 67 13.541 -13.972 -2.675 470 HA PRO 68 HA PRO 68 9.829 -13.851 -4.843 471 HB2 PRO 68 1HB PRO 68 7.176 -13.286 -4.943 472 HB3 PRO 68 2HB PRO 68 7.801 -14.906 -4.612 473 HG2 PRO 68 1HG PRO 68 6.795 -12.837 -2.697 474 HG3 PRO 68 2HG PRO 68 6.490 -14.584 -2.719 475 HD2 PRO 68 1HD PRO 68 8.302 -13.442 -1.062 476 HD3 PRO 68 2HD PRO 68 8.510 -15.076 -1.724 477 HA PRO 69 HA PRO 69 9.962 -9.593 -5.933 478 HB2 PRO 69 1HB PRO 69 8.731 -9.564 -8.352 479 HB3 PRO 69 2HB PRO 69 10.339 -10.253 -8.101 480 HG2 PRO 69 1HG PRO 69 7.692 -11.639 -8.279 481 HG3 PRO 69 2HG PRO 69 9.245 -12.097 -9.002 482 HD2 PRO 69 1HD PRO 69 8.293 -13.248 -6.743 483 HD3 PRO 69 2HD PRO 69 10.029 -13.020 -7.040 484 H ILE 70 H ILE 70 8.726 -8.388 -4.561 485 HA ILE 70 HA ILE 70 5.837 -8.414 -4.740 486 HB ILE 70 HB ILE 70 7.629 -6.655 -3.062 487 HG12 ILE 70 1HG1 ILE 70 6.111 -9.131 -2.225 488 HG13 ILE 70 2HG1 ILE 70 7.820 -9.134 -2.646 489 HG21 ILE 70 1HG2 ILE 70 5.031 -7.113 -1.963 490 HG22 ILE 70 2HG2 ILE 70 5.796 -5.589 -2.411 491 HG23 ILE 70 3HG2 ILE 70 4.872 -6.496 -3.608 492 HD11 ILE 70 1HD1 ILE 70 8.059 -7.342 -0.829 493 HD12 ILE 70 2HD1 ILE 70 6.465 -7.879 -0.297 494 HD13 ILE 70 3HD1 ILE 70 7.813 -9.016 -0.332 495 H ALA 71 H ALA 71 4.547 -6.857 -5.594 496 HA ALA 71 HA ALA 71 5.887 -4.784 -7.185 497 HB1 ALA 71 1HB ALA 71 3.056 -5.044 -7.691 498 HB2 ALA 71 2HB ALA 71 4.419 -5.219 -8.797 499 HB3 ALA 71 3HB ALA 71 3.880 -6.597 -7.837 500 H VAL 72 H VAL 72 6.006 -2.870 -6.216 501 HA VAL 72 HA VAL 72 4.115 -2.093 -4.172 502 HB VAL 72 HB VAL 72 6.332 -0.421 -5.354 503 HG11 VAL 72 1HG1 VAL 72 5.358 1.125 -4.061 504 HG12 VAL 72 2HG1 VAL 72 4.396 -0.073 -3.193 505 HG13 VAL 72 3HG1 VAL 72 6.064 0.237 -2.712 506 HG21 VAL 72 1HG2 VAL 72 7.428 -1.243 -3.091 507 HG22 VAL 72 2HG2 VAL 72 6.393 -2.642 -3.378 508 HG23 VAL 72 3HG2 VAL 72 7.589 -2.167 -4.585 509 H ALA 73 H ALA 73 2.313 -0.981 -4.508 510 HA ALA 73 HA ALA 73 2.146 0.815 -6.824 511 HB1 ALA 73 1HB ALA 73 -0.253 -0.807 -6.126 512 HB2 ALA 73 2HB ALA 73 0.217 -0.091 -7.668 513 HB3 ALA 73 3HB ALA 73 1.028 -1.545 -7.088 514 H LYS 74 H LYS 74 0.341 2.364 -6.656 515 HA LYS 74 HA LYS 74 -0.344 2.947 -3.849 516 HB2 LYS 74 1HB LYS 74 -0.188 5.336 -4.375 517 HB3 LYS 74 2HB LYS 74 1.343 4.520 -4.663 518 HG2 LYS 74 1HG LYS 74 0.710 4.398 -7.087 519 HG3 LYS 74 2HG LYS 74 -0.658 5.446 -6.707 520 HD2 LYS 74 1HD LYS 74 0.737 7.241 -6.124 521 HD3 LYS 74 2HD LYS 74 2.157 6.202 -5.979 522 HE2 LYS 74 1HE LYS 74 1.760 5.742 -8.501 523 HE3 LYS 74 2HE LYS 74 0.789 7.212 -8.443 524 HZ1 LYS 74 1HZ LYS 74 3.678 6.921 -7.865 525 HZ2 LYS 74 2HZ LYS 74 2.801 8.301 -7.434 526 HZ3 LYS 74 3HZ LYS 74 2.946 7.865 -9.062 527 H ILE 75 H ILE 75 -2.287 4.341 -3.611 528 HA ILE 75 HA ILE 75 -4.192 4.118 -5.822 529 HB ILE 75 HB ILE 75 -4.736 3.134 -3.020 530 HG12 ILE 75 1HG1 ILE 75 -5.153 1.513 -5.493 531 HG13 ILE 75 2HG1 ILE 75 -3.510 1.724 -4.899 532 HG21 ILE 75 1HG2 ILE 75 -6.622 4.409 -4.019 533 HG22 ILE 75 2HG2 ILE 75 -6.639 3.256 -5.352 534 HG23 ILE 75 3HG2 ILE 75 -6.995 2.713 -3.713 535 HD11 ILE 75 1HD1 ILE 75 -3.818 0.234 -3.287 536 HD12 ILE 75 2HD1 ILE 75 -5.333 0.983 -2.781 537 HD13 ILE 75 3HD1 ILE 75 -5.326 -0.192 -4.097 538 H ASP 76 H ASP 76 -5.588 5.797 -5.980 539 HA ASP 76 HA ASP 76 -5.169 8.028 -4.157 540 HB2 ASP 76 1HB ASP 76 -7.008 8.135 -6.522 541 HB3 ASP 76 2HB ASP 76 -6.017 9.413 -5.823 542 H ALA 77 H ALA 77 -6.289 7.541 -2.305 543 HA ALA 77 HA ALA 77 -8.733 6.335 -2.005 544 HB1 ALA 77 1HB ALA 77 -7.452 8.530 -0.398 545 HB2 ALA 77 2HB ALA 77 -8.952 7.741 0.088 546 HB3 ALA 77 3HB ALA 77 -7.470 6.798 -0.066 547 H THR 78 H THR 78 -8.051 9.550 -3.140 548 HA THR 78 HA THR 78 -10.534 10.769 -2.724 549 HB THR 78 HB THR 78 -9.925 12.318 -4.520 550 HG1 THR 78 1HG THR 78 -8.378 11.852 -5.952 551 HG21 THR 78 1HG2 THR 78 -7.503 12.798 -3.661 552 HG22 THR 78 2HG2 THR 78 -7.867 11.518 -2.503 553 HG23 THR 78 3HG2 THR 78 -8.873 12.964 -2.564 554 H SER 79 H SER 79 -9.388 8.672 -5.314 555 HA SER 79 HA SER 79 -11.943 8.902 -6.708 556 HB2 SER 79 1HB SER 79 -9.757 8.948 -7.960 557 HB3 SER 79 2HB SER 79 -9.530 7.260 -7.502 558 HG SER 79 HG SER 79 -11.945 7.976 -8.706 559 H ALA 80 H ALA 80 -10.103 6.669 -4.761 560 HA ALA 80 HA ALA 80 -12.032 4.523 -5.227 561 HB1 ALA 80 1HB ALA 80 -9.261 4.668 -4.347 562 HB2 ALA 80 2HB ALA 80 -10.243 3.585 -3.360 563 HB3 ALA 80 3HB ALA 80 -10.143 3.341 -5.103 564 H SER 81 H SER 81 -13.733 4.279 -3.948 565 HA SER 81 HA SER 81 -13.660 5.478 -1.261 566 HB2 SER 81 1HB SER 81 -15.954 4.950 -3.151 567 HB3 SER 81 2HB SER 81 -16.197 5.357 -1.453 568 HG SER 81 HG SER 81 -16.177 7.138 -3.074 569 H MET 82 H MET 82 -13.931 2.545 -3.012 570 HA MET 82 HA MET 82 -15.191 1.054 -0.886 571 HB2 MET 82 1HB MET 82 -13.731 -0.213 -3.178 572 HB3 MET 82 2HB MET 82 -15.163 -0.778 -2.328 573 HG2 MET 82 1HG MET 82 -16.525 0.875 -3.393 574 HG3 MET 82 2HG MET 82 -15.111 1.638 -4.116 575 HE1 MET 82 1HE MET 82 -13.907 -1.732 -4.491 576 HE2 MET 82 2HE MET 82 -13.959 -1.637 -6.251 577 HE3 MET 82 3HE MET 82 -13.329 -0.282 -5.313 578 H LEU 83 H LEU 83 -11.984 0.921 -2.449 579 HA LEU 83 HA LEU 83 -10.773 -0.852 -0.705 580 HB2 LEU 83 1HB LEU 83 -9.450 1.506 -2.036 581 HB3 LEU 83 2HB LEU 83 -8.656 0.042 -1.457 582 HG LEU 83 HG LEU 83 -10.509 0.314 -3.817 583 HD11 LEU 83 1HD1 LEU 83 -7.589 -0.313 -3.487 584 HD12 LEU 83 2HD1 LEU 83 -8.332 0.997 -4.404 585 HD13 LEU 83 3HD1 LEU 83 -8.481 -0.667 -4.967 586 HD21 LEU 83 1HD2 LEU 83 -11.161 -1.750 -3.055 587 HD22 LEU 83 2HD2 LEU 83 -9.605 -2.084 -2.295 588 HD23 LEU 83 3HD2 LEU 83 -9.771 -2.190 -4.048 589 H ALA 84 H ALA 84 -11.261 2.615 -0.383 590 HA ALA 84 HA ALA 84 -9.584 3.184 1.745 591 HB1 ALA 84 1HB ALA 84 -10.924 4.833 0.435 592 HB2 ALA 84 2HB ALA 84 -12.338 4.344 1.370 593 HB3 ALA 84 3HB ALA 84 -10.960 5.089 2.180 594 H SER 85 H SER 85 -12.877 1.875 1.798 595 HA SER 85 HA SER 85 -13.100 1.839 4.631 596 HB2 SER 85 1HB SER 85 -15.117 1.825 3.329 597 HB3 SER 85 2HB SER 85 -14.616 0.372 2.465 598 HG SER 85 HG SER 85 -14.579 -0.126 5.085 599 H LYS 86 H LYS 86 -11.946 -0.449 2.237 600 HA LYS 86 HA LYS 86 -11.876 -2.771 3.776 601 HB2 LYS 86 1HB LYS 86 -11.362 -2.419 1.266 602 HB3 LYS 86 2HB LYS 86 -9.718 -2.088 1.797 603 HG2 LYS 86 1HG LYS 86 -9.609 -4.298 2.836 604 HG3 LYS 86 2HG LYS 86 -11.256 -4.630 2.293 605 HD2 LYS 86 1HD LYS 86 -10.429 -4.205 -0.059 606 HD3 LYS 86 2HD LYS 86 -8.795 -4.217 0.607 607 HE2 LYS 86 1HE LYS 86 -9.404 -6.402 -0.303 608 HE3 LYS 86 2HE LYS 86 -9.138 -6.482 1.438 609 HZ1 LYS 86 1HZ LYS 86 -11.322 -6.876 1.849 610 HZ2 LYS 86 2HZ LYS 86 -11.230 -7.573 0.311 611 HZ3 LYS 86 3HZ LYS 86 -11.867 -6.017 0.498 612 H PHE 87 H PHE 87 -9.214 -0.464 3.202 613 HA PHE 87 HA PHE 87 -7.815 -1.562 5.526 614 HB2 PHE 87 1HB PHE 87 -6.802 0.485 3.547 615 HB3 PHE 87 2HB PHE 87 -5.852 -0.439 4.706 616 HD1 PHE 87 2HD PHE 87 -7.712 -0.587 1.546 617 HD2 PHE 87 1HD PHE 87 -5.199 -2.693 4.260 618 HE1 PHE 87 2HE PHE 87 -7.335 -2.323 -0.156 619 HE2 PHE 87 1HE PHE 87 -4.817 -4.432 2.562 620 HZ PHE 87 HZ PHE 87 -5.886 -4.249 0.351 621 H ASP 88 H ASP 88 -10.198 0.157 5.742 622 HA ASP 88 HA ASP 88 -10.911 2.134 6.699 623 HB2 ASP 88 1HB ASP 88 -10.323 0.559 8.565 624 HB3 ASP 88 2HB ASP 88 -8.763 1.369 8.683 625 H VAL 89 H VAL 89 -8.966 2.659 4.708 626 HA VAL 89 HA VAL 89 -6.862 4.310 5.506 627 HB VAL 89 HB VAL 89 -8.494 4.468 2.968 628 HG11 VAL 89 1HG1 VAL 89 -5.712 5.504 3.490 629 HG12 VAL 89 2HG1 VAL 89 -6.647 5.663 2.002 630 HG13 VAL 89 3HG1 VAL 89 -7.162 6.506 3.464 631 HG21 VAL 89 1HG2 VAL 89 -5.879 3.324 2.683 632 HG22 VAL 89 2HG2 VAL 89 -6.787 2.449 3.916 633 HG23 VAL 89 3HG2 VAL 89 -7.450 2.626 2.291 634 H SER 90 H SER 90 -7.593 5.650 7.191 635 HA SER 90 HA SER 90 -9.431 7.802 6.373 636 HB2 SER 90 1HB SER 90 -10.232 6.481 8.291 637 HB3 SER 90 2HB SER 90 -8.747 6.852 9.167 638 HG SER 90 HG SER 90 -10.727 8.694 8.304 639 H GLY 91 H GLY 91 -6.683 7.814 5.647 640 HA2 GLY 91 1HA GLY 91 -5.944 10.413 6.311 641 HA3 GLY 91 2HA GLY 91 -5.106 9.350 7.432 642 H TYR 92 H TYR 92 -3.415 10.707 6.058 643 HA TYR 92 HA TYR 92 -2.113 8.784 4.381 644 HB2 TYR 92 1HB TYR 92 -2.680 11.394 3.012 645 HB3 TYR 92 2HB TYR 92 -2.179 9.860 2.310 646 HD1 TYR 92 2HD TYR 92 -5.029 11.727 3.717 647 HD2 TYR 92 1HD TYR 92 -3.786 8.204 1.681 648 HE1 TYR 92 2HE TYR 92 -7.375 11.210 3.191 649 HE2 TYR 92 1HE TYR 92 -6.128 7.678 1.148 650 HH TYR 92 HH TYR 92 -8.783 9.697 2.347 651 HA PRO 93 HA PRO 93 -0.395 8.886 2.868 652 HB2 PRO 93 1HB PRO 93 2.003 7.752 3.447 653 HB3 PRO 93 2HB PRO 93 1.844 9.217 2.470 654 HG2 PRO 93 1HG PRO 93 2.534 8.940 5.370 655 HG3 PRO 93 2HG PRO 93 3.257 9.998 4.144 656 HD2 PRO 93 1HD PRO 93 1.437 10.884 5.942 657 HD3 PRO 93 2HD PRO 93 1.560 11.550 4.300 658 H THR 94 H THR 94 -0.699 6.636 2.906 659 HA THR 94 HA THR 94 -0.704 5.341 5.540 660 HB THR 94 HB THR 94 -3.031 5.346 3.610 661 HG1 THR 94 1HG THR 94 -3.078 7.138 4.949 662 HG21 THR 94 1HG2 THR 94 -3.221 3.206 4.370 663 HG22 THR 94 2HG2 THR 94 -3.983 4.029 5.730 664 HG23 THR 94 3HG2 THR 94 -2.296 3.529 5.835 665 H ILE 95 H ILE 95 0.585 3.635 5.363 666 HA ILE 95 HA ILE 95 0.698 2.193 2.803 667 HB ILE 95 HB ILE 95 2.642 2.060 5.111 668 HG12 ILE 95 1HG1 ILE 95 3.295 3.307 2.475 669 HG13 ILE 95 2HG1 ILE 95 2.362 4.243 3.638 670 HG21 ILE 95 1HG2 ILE 95 2.930 1.042 2.289 671 HG22 ILE 95 2HG2 ILE 95 4.075 0.843 3.614 672 HG23 ILE 95 3HG2 ILE 95 2.507 0.039 3.676 673 HD11 ILE 95 1HD1 ILE 95 5.182 3.691 3.565 674 HD12 ILE 95 2HD1 ILE 95 4.284 4.850 4.546 675 HD13 ILE 95 3HD1 ILE 95 4.477 3.187 5.101 676 H LYS 96 H LYS 96 0.154 0.086 2.652 677 HA LYS 96 HA LYS 96 -0.304 -1.466 5.084 678 HB2 LYS 96 1HB LYS 96 -2.403 -1.041 2.950 679 HB3 LYS 96 2HB LYS 96 -2.522 -2.213 4.256 680 HG2 LYS 96 1HG LYS 96 -2.040 0.627 4.971 681 HG3 LYS 96 2HG LYS 96 -3.649 0.165 4.409 682 HD2 LYS 96 1HD LYS 96 -3.471 -1.736 6.138 683 HD3 LYS 96 2HD LYS 96 -2.147 -0.792 6.825 684 HE2 LYS 96 1HE LYS 96 -3.609 1.089 7.177 685 HE3 LYS 96 2HE LYS 96 -4.928 0.270 6.341 686 HZ1 LYS 96 1HZ LYS 96 -3.823 -1.212 8.556 687 HZ2 LYS 96 2HZ LYS 96 -5.438 -0.914 8.151 688 HZ3 LYS 96 3HZ LYS 96 -4.551 0.248 9.003 689 H ILE 97 H ILE 97 -0.831 -3.791 4.522 690 HA ILE 97 HA ILE 97 0.469 -4.591 2.005 691 HB ILE 97 HB ILE 97 0.897 -5.888 4.700 692 HG12 ILE 97 1HG1 ILE 97 3.091 -4.732 3.034 693 HG13 ILE 97 2HG1 ILE 97 2.076 -3.632 3.961 694 HG21 ILE 97 1HG2 ILE 97 2.755 -6.948 3.014 695 HG22 ILE 97 2HG2 ILE 97 1.230 -7.717 3.447 696 HG23 ILE 97 3HG2 ILE 97 1.356 -6.791 1.952 697 HD11 ILE 97 1HD1 ILE 97 4.319 -4.917 4.869 698 HD12 ILE 97 2HD1 ILE 97 3.078 -4.166 5.871 699 HD13 ILE 97 3HD1 ILE 97 3.007 -5.894 5.527 700 H LEU 98 H LEU 98 -0.556 -6.132 0.872 701 HA LEU 98 HA LEU 98 -2.981 -7.287 2.053 702 HB2 LEU 98 1HB LEU 98 -3.060 -5.936 -0.085 703 HB3 LEU 98 2HB LEU 98 -2.202 -7.271 -0.852 704 HG LEU 98 HG LEU 98 -4.204 -8.693 0.041 705 HD11 LEU 98 1HD1 LEU 98 -4.989 -6.370 1.141 706 HD12 LEU 98 2HD1 LEU 98 -6.102 -7.653 0.669 707 HD13 LEU 98 3HD1 LEU 98 -5.835 -6.279 -0.404 708 HD21 LEU 98 1HD2 LEU 98 -4.662 -6.802 -2.257 709 HD22 LEU 98 2HD2 LEU 98 -5.303 -8.433 -2.054 710 HD23 LEU 98 3HD2 LEU 98 -3.578 -8.191 -2.336 711 H LYS 99 H LYS 99 -2.945 -9.331 2.683 712 HA LYS 99 HA LYS 99 -0.989 -11.153 1.443 713 HB2 LYS 99 1HB LYS 99 -0.728 -10.559 3.922 714 HB3 LYS 99 2HB LYS 99 -2.184 -11.510 4.186 715 HG2 LYS 99 1HG LYS 99 -0.446 -12.991 4.627 716 HG3 LYS 99 2HG LYS 99 -0.947 -13.400 2.985 717 HD2 LYS 99 1HD LYS 99 0.892 -11.812 2.209 718 HD3 LYS 99 2HD LYS 99 1.477 -11.857 3.874 719 HE2 LYS 99 1HE LYS 99 0.928 -14.441 2.511 720 HE3 LYS 99 2HE LYS 99 2.362 -13.539 2.025 721 HZ1 LYS 99 1HZ LYS 99 3.289 -14.631 3.733 722 HZ2 LYS 99 2HZ LYS 99 1.813 -14.947 4.495 723 HZ3 LYS 99 3HZ LYS 99 2.559 -13.440 4.686 724 H LYS 100 H LYS 100 -2.171 -12.150 -0.106 725 HA LYS 100 HA LYS 100 -3.808 -13.394 -1.099 726 HB2 LYS 100 1HB LYS 100 -3.957 -14.674 1.635 727 HB3 LYS 100 2HB LYS 100 -4.461 -15.397 0.113 728 HG2 LYS 100 1HG LYS 100 -2.106 -15.270 -0.663 729 HG3 LYS 100 2HG LYS 100 -1.654 -14.701 0.946 730 HD2 LYS 100 1HD LYS 100 -2.220 -16.742 1.949 731 HD3 LYS 100 2HD LYS 100 -3.166 -17.266 0.554 732 HE2 LYS 100 1HE LYS 100 -0.178 -16.862 0.544 733 HE3 LYS 100 2HE LYS 100 -0.973 -18.418 0.776 734 HZ1 LYS 100 1HZ LYS 100 -0.901 -18.600 -1.424 735 HZ2 LYS 100 2HZ LYS 100 -0.481 -16.976 -1.642 736 HZ3 LYS 100 3HZ LYS 100 -2.108 -17.416 -1.493 737 H GLY 101 H GLY 101 -4.638 -10.923 0.344 738 HA2 GLY 101 1HA GLY 101 -6.834 -9.992 0.124 739 HA3 GLY 101 2HA GLY 101 -7.503 -11.578 0.473 740 H GLN 102 H GLN 102 -4.894 -10.720 2.473 741 HA GLN 102 HA GLN 102 -6.774 -10.049 4.637 742 HB2 GLN 102 1HB GLN 102 -4.118 -11.478 4.697 743 HB3 GLN 102 2HB GLN 102 -4.920 -10.890 6.148 744 HG2 GLN 102 1HG GLN 102 -6.701 -12.389 5.907 745 HG3 GLN 102 2HG GLN 102 -6.287 -12.743 4.231 746 HE21 GLN 102 1HE2 GLN 102 -5.623 -13.415 7.551 747 HE22 GLN 102 2HE2 GLN 102 -4.561 -14.752 7.290 748 H ALA 103 H ALA 103 -6.776 -7.923 4.975 749 HA ALA 103 HA ALA 103 -4.645 -6.188 4.303 750 HB1 ALA 103 1HB ALA 103 -5.949 -4.487 5.574 751 HB2 ALA 103 2HB ALA 103 -6.884 -5.341 4.346 752 HB3 ALA 103 3HB ALA 103 -7.066 -5.767 6.048 753 H VAL 104 H VAL 104 -2.748 -6.114 5.303 754 HA VAL 104 HA VAL 104 -2.641 -6.637 8.196 755 HB VAL 104 HB VAL 104 -0.476 -6.795 6.098 756 HG11 VAL 104 1HG1 VAL 104 1.011 -6.452 7.712 757 HG12 VAL 104 2HG1 VAL 104 -0.267 -6.343 8.925 758 HG13 VAL 104 3HG1 VAL 104 0.424 -7.912 8.508 759 HG21 VAL 104 1HG2 VAL 104 -0.438 -9.201 7.000 760 HG22 VAL 104 2HG2 VAL 104 -2.023 -8.825 7.675 761 HG23 VAL 104 3HG2 VAL 104 -1.763 -8.737 5.933 762 H ASP 105 H ASP 105 -2.891 -4.732 9.216 763 HA ASP 105 HA ASP 105 -2.211 -2.207 8.315 764 HB2 ASP 105 1HB ASP 105 -2.346 -1.484 10.644 765 HB3 ASP 105 2HB ASP 105 -3.634 -2.630 10.283 766 H TYR 106 H TYR 106 -0.383 -1.060 8.151 767 HA TYR 106 HA TYR 106 2.124 -2.388 8.774 768 HB2 TYR 106 1HB TYR 106 1.978 -1.366 6.600 769 HB3 TYR 106 2HB TYR 106 1.488 0.173 7.300 770 HD1 TYR 106 2HD TYR 106 4.324 -2.251 7.313 771 HD2 TYR 106 1HD TYR 106 3.091 1.802 7.705 772 HE1 TYR 106 2HE TYR 106 6.680 -1.549 7.403 773 HE2 TYR 106 1HE TYR 106 5.443 2.516 7.795 774 HH TYR 106 HH TYR 106 7.746 1.169 8.554 775 H ASP 107 H ASP 107 3.076 -2.115 10.668 776 HA ASP 107 HA ASP 107 2.639 0.410 12.121 777 HB2 ASP 107 1HB ASP 107 3.500 -2.230 13.311 778 HB3 ASP 107 2HB ASP 107 2.982 -0.786 14.175 779 H GLY 108 H GLY 108 4.336 1.559 11.183 780 HA2 GLY 108 1HA GLY 108 6.896 1.133 12.392 781 HA3 GLY 108 2HA GLY 108 6.910 0.749 10.677 782 H SER 109 H SER 109 8.583 2.569 10.955 783 HA SER 109 HA SER 109 7.405 5.226 11.050 784 HB2 SER 109 1HB SER 109 10.191 4.138 11.053 785 HB3 SER 109 2HB SER 109 9.932 5.805 10.540 786 HG SER 109 HG SER 109 8.550 5.663 12.679 787 H ARG 110 H ARG 110 6.772 3.369 8.855 788 HA ARG 110 HA ARG 110 6.856 3.207 6.548 789 HB2 ARG 110 1HB ARG 110 6.024 5.292 5.509 790 HB3 ARG 110 2HB ARG 110 5.135 4.861 6.965 791 HG2 ARG 110 1HG ARG 110 6.257 6.542 8.234 792 HG3 ARG 110 2HG ARG 110 7.368 6.876 6.903 793 HD2 ARG 110 1HD ARG 110 5.887 8.576 6.580 794 HD3 ARG 110 2HD ARG 110 5.102 7.328 5.613 795 HE ARG 110 HE ARG 110 3.335 7.479 7.033 796 HH11 ARG 110 2HH1 ARG 110 6.199 8.458 8.753 797 HH12 ARG 110 1HH1 ARG 110 5.350 8.838 10.214 798 HH21 ARG 110 2HH2 ARG 110 2.206 7.976 8.951 799 HH22 ARG 110 1HH2 ARG 110 3.078 8.563 10.326 800 H THR 111 H THR 111 9.393 2.999 7.149 801 HA THR 111 HA THR 111 10.803 4.972 5.473 802 HB THR 111 HB THR 111 12.857 3.868 6.749 803 HG1 THR 111 1HG THR 111 10.835 3.765 8.743 804 HG21 THR 111 1HG2 THR 111 12.275 5.659 8.638 805 HG22 THR 111 2HG2 THR 111 11.063 6.128 7.445 806 HG23 THR 111 3HG2 THR 111 12.773 6.131 7.014 807 H GLN 112 H GLN 112 12.821 4.037 4.430 808 HA GLN 112 HA GLN 112 12.078 1.934 2.710 809 HB2 GLN 112 1HB GLN 112 13.789 3.823 2.333 810 HB3 GLN 112 2HB GLN 112 14.926 2.782 3.179 811 HG2 GLN 112 1HG GLN 112 14.352 0.997 1.487 812 HG3 GLN 112 2HG GLN 112 13.518 2.259 0.581 813 HE21 GLN 112 1HE2 GLN 112 14.850 4.218 0.110 814 HE22 GLN 112 2HE2 GLN 112 16.502 3.965 -0.330 815 H GLU 113 H GLU 113 13.840 2.010 5.721 816 HA GLU 113 HA GLU 113 14.830 -0.685 5.470 817 HB2 GLU 113 1HB GLU 113 15.869 -0.357 7.544 818 HB3 GLU 113 2HB GLU 113 15.906 1.233 6.794 819 HG2 GLU 113 1HG GLU 113 13.802 1.752 8.090 820 HG3 GLU 113 2HG GLU 113 14.100 0.263 8.986 821 H GLU 114 H GLU 114 12.265 0.954 7.286 822 HA GLU 114 HA GLU 114 11.368 -1.414 8.602 823 HB2 GLU 114 1HB GLU 114 10.142 1.313 8.216 824 HB3 GLU 114 2HB GLU 114 9.323 0.025 9.088 825 HG2 GLU 114 1HG GLU 114 11.911 1.371 9.805 826 HG3 GLU 114 2HG GLU 114 10.385 1.418 10.686 827 H ILE 115 H ILE 115 9.636 0.620 6.239 828 HA ILE 115 HA ILE 115 7.568 -0.959 5.568 829 HB ILE 115 HB ILE 115 9.287 0.555 3.600 830 HG12 ILE 115 1HG1 ILE 115 6.729 1.372 4.992 831 HG13 ILE 115 2HG1 ILE 115 8.339 1.875 5.496 832 HG21 ILE 115 1HG2 ILE 115 8.033 -0.460 2.053 833 HG22 ILE 115 2HG2 ILE 115 6.888 -1.065 3.250 834 HG23 ILE 115 3HG2 ILE 115 6.725 0.576 2.626 835 HD11 ILE 115 1HD1 ILE 115 7.513 3.667 4.260 836 HD12 ILE 115 2HD1 ILE 115 8.583 2.822 3.142 837 HD13 ILE 115 3HD1 ILE 115 6.837 2.616 3.016 838 H VAL 116 H VAL 116 10.850 -1.305 4.258 839 HA VAL 116 HA VAL 116 10.204 -3.559 2.631 840 HB VAL 116 HB VAL 116 12.870 -2.502 3.575 841 HG11 VAL 116 1HG1 VAL 116 13.853 -4.322 2.773 842 HG12 VAL 116 2HG1 VAL 116 12.267 -5.030 2.463 843 HG13 VAL 116 3HG1 VAL 116 13.070 -4.081 1.211 844 HG21 VAL 116 1HG2 VAL 116 11.314 -1.180 1.970 845 HG22 VAL 116 2HG2 VAL 116 13.022 -1.356 1.568 846 HG23 VAL 116 3HG2 VAL 116 11.820 -2.376 0.777 847 H ALA 117 H ALA 117 11.613 -3.133 5.841 848 HA ALA 117 HA ALA 117 12.382 -5.780 6.317 849 HB1 ALA 117 1HB ALA 117 11.826 -3.405 7.982 850 HB2 ALA 117 2HB ALA 117 11.775 -4.968 8.798 851 HB3 ALA 117 3HB ALA 117 13.235 -4.465 7.947 852 H LYS 118 H LYS 118 9.294 -4.138 6.868 853 HA LYS 118 HA LYS 118 8.059 -6.455 8.034 854 HB2 LYS 118 1HB LYS 118 7.253 -4.313 8.733 855 HB3 LYS 118 2HB LYS 118 6.968 -3.810 7.072 856 HG2 LYS 118 1HG LYS 118 4.865 -4.311 8.067 857 HG3 LYS 118 2HG LYS 118 5.232 -5.585 6.901 858 HD2 LYS 118 1HD LYS 118 4.565 -6.871 8.667 859 HD3 LYS 118 2HD LYS 118 6.285 -6.735 9.042 860 HE2 LYS 118 1HE LYS 118 5.110 -6.293 11.054 861 HE3 LYS 118 2HE LYS 118 5.705 -4.742 10.464 862 HZ1 LYS 118 1HZ LYS 118 3.377 -4.635 9.356 863 HZ2 LYS 118 2HZ LYS 118 3.546 -4.246 10.993 864 HZ3 LYS 118 3HZ LYS 118 2.952 -5.764 10.542 865 H VAL 119 H VAL 119 7.379 -4.642 5.033 866 HA VAL 119 HA VAL 119 5.597 -6.260 3.809 867 HB VAL 119 HB VAL 119 7.941 -4.827 2.572 868 HG11 VAL 119 1HG1 VAL 119 5.894 -6.574 1.323 869 HG12 VAL 119 2HG1 VAL 119 6.323 -5.081 0.484 870 HG13 VAL 119 3HG1 VAL 119 7.567 -6.276 0.854 871 HG21 VAL 119 1HG2 VAL 119 5.771 -3.777 3.737 872 HG22 VAL 119 2HG2 VAL 119 6.573 -3.033 2.354 873 HG23 VAL 119 3HG2 VAL 119 5.134 -4.022 2.111 874 H ARG 120 H ARG 120 9.130 -6.672 3.551 875 HA ARG 120 HA ARG 120 9.029 -9.065 2.072 876 HB2 ARG 120 1HB ARG 120 11.344 -9.204 2.386 877 HB3 ARG 120 2HB ARG 120 11.015 -7.478 2.460 878 HG2 ARG 120 1HG ARG 120 10.916 -7.787 4.994 879 HG3 ARG 120 2HG ARG 120 11.669 -9.356 4.701 880 HD2 ARG 120 1HD ARG 120 12.854 -6.893 3.496 881 HD3 ARG 120 2HD ARG 120 13.143 -7.258 5.197 882 HE ARG 120 HE ARG 120 14.327 -8.543 2.950 883 HH11 ARG 120 2HH1 ARG 120 13.216 -9.080 6.205 884 HH12 ARG 120 1HH1 ARG 120 14.293 -10.407 6.493 885 HH21 ARG 120 2HH2 ARG 120 15.750 -10.288 3.316 886 HH22 ARG 120 1HH2 ARG 120 15.734 -11.092 4.849 887 H GLU 121 H GLU 121 8.975 -8.410 5.520 888 HA GLU 121 HA GLU 121 9.422 -11.064 6.393 889 HB2 GLU 121 1HB GLU 121 9.754 -9.338 7.982 890 HB3 GLU 121 2HB GLU 121 8.159 -8.659 7.692 891 HG2 GLU 121 1HG GLU 121 7.103 -10.214 8.987 892 HG3 GLU 121 2HG GLU 121 8.344 -11.437 8.725 893 H VAL 122 H VAL 122 6.527 -9.265 5.525 894 HA VAL 122 HA VAL 122 4.726 -11.338 6.384 895 HB VAL 122 HB VAL 122 4.169 -8.970 4.592 896 HG11 VAL 122 1HG1 VAL 122 2.536 -11.161 5.617 897 HG12 VAL 122 2HG1 VAL 122 1.869 -9.564 5.958 898 HG13 VAL 122 3HG1 VAL 122 2.224 -10.036 4.296 899 HG21 VAL 122 1HG2 VAL 122 4.477 -9.233 7.513 900 HG22 VAL 122 2HG2 VAL 122 4.698 -7.829 6.469 901 HG23 VAL 122 3HG2 VAL 122 3.076 -8.312 6.965 902 H SER 123 H SER 123 5.992 -10.179 3.284 903 HA SER 123 HA SER 123 4.535 -11.617 1.486 904 HB2 SER 123 1HB SER 123 6.340 -11.409 -0.037 905 HB3 SER 123 2HB SER 123 6.492 -10.026 1.047 906 HG SER 123 HG SER 123 8.203 -10.953 2.017 907 H GLN 124 H GLN 124 7.225 -12.796 3.452 908 HA GLN 124 HA GLN 124 7.733 -15.249 2.407 909 HB2 GLN 124 1HB GLN 124 7.368 -14.722 5.360 910 HB3 GLN 124 2HB GLN 124 8.333 -16.001 4.636 911 HG2 GLN 124 1HG GLN 124 8.860 -13.047 4.616 912 HG3 GLN 124 2HG GLN 124 9.836 -14.326 5.337 913 HE21 GLN 124 1HE2 GLN 124 9.399 -12.364 2.666 914 HE22 GLN 124 2HE2 GLN 124 10.458 -13.175 1.568 915 HA PRO 125 HA PRO 125 3.947 -17.509 2.476 916 HB2 PRO 125 1HB PRO 125 4.980 -20.003 2.189 917 HB3 PRO 125 2HB PRO 125 4.897 -18.840 0.861 918 HG2 PRO 125 1HG PRO 125 7.214 -19.545 2.621 919 HG3 PRO 125 2HG PRO 125 7.179 -19.287 0.866 920 HD2 PRO 125 1HD PRO 125 8.042 -17.394 2.599 921 HD3 PRO 125 2HD PRO 125 7.224 -16.993 1.075 922 H ASP 126 H ASP 126 6.546 -18.092 4.712 923 HA ASP 126 HA ASP 126 4.987 -19.880 6.375 924 HB2 ASP 126 1HB ASP 126 7.493 -20.057 6.079 925 HB3 ASP 126 2HB ASP 126 7.635 -18.586 7.039 926 H TRP 127 H TRP 127 5.922 -16.506 6.298 927 HA TRP 127 HA TRP 127 5.388 -15.698 8.875 928 HB2 TRP 127 1HB TRP 127 6.293 -14.132 7.304 929 HB3 TRP 127 2HB TRP 127 4.881 -14.273 6.261 930 HD1 TRP 127 HD TRP 127 6.227 -12.323 9.164 931 HE1 TRP 127 1HE TRP 127 4.481 -10.597 9.938 932 HE3 TRP 127 3HE TRP 127 2.199 -13.990 6.492 933 HZ2 TRP 127 2HZ TRP 127 1.757 -10.019 9.477 934 HZ3 TRP 127 3HZ TRP 127 0.060 -12.795 6.716 935 HH2 TRP 127 HH TRP 127 -0.155 -10.851 8.178 936 H THR 128 H THR 128 3.593 -15.141 10.043 937 HA THR 128 HA THR 128 0.966 -15.525 8.787 938 HB THR 128 HB THR 128 0.199 -16.668 10.902 939 HG1 THR 128 1HG THR 128 3.010 -16.943 11.308 940 HG21 THR 128 1HG2 THR 128 1.169 -18.872 10.276 941 HG22 THR 128 2HG2 THR 128 2.283 -18.034 9.197 942 HG23 THR 128 3HG2 THR 128 0.547 -17.965 8.898 943 HA PRO 129 HA PRO 129 -0.129 -11.811 10.870 944 HB2 PRO 129 1HB PRO 129 -2.812 -12.163 11.091 945 HB3 PRO 129 2HB PRO 129 -2.014 -11.793 9.557 946 HG2 PRO 129 1HG PRO 129 -2.941 -14.433 10.622 947 HG3 PRO 129 2HG PRO 129 -3.097 -13.770 8.985 948 HD2 PRO 129 1HD PRO 129 -1.193 -15.577 9.650 949 HD3 PRO 129 2HD PRO 129 -0.933 -14.324 8.419 950 HA PRO 130 HA PRO 130 -0.059 -13.093 15.150 951 HB2 PRO 130 1HB PRO 130 0.196 -10.594 16.180 952 HB3 PRO 130 2HB PRO 130 1.544 -11.474 15.450 953 HG2 PRO 130 1HG PRO 130 -0.194 -9.347 14.261 954 HG3 PRO 130 2HG PRO 130 1.563 -9.549 14.146 955 HD2 PRO 130 1HD PRO 130 -0.121 -10.291 12.160 956 HD3 PRO 130 2HD PRO 130 1.398 -11.147 12.493 957 HA PRO 131 HA PRO 131 -4.203 -12.515 16.522 958 HB2 PRO 131 1HB PRO 131 -3.865 -12.706 19.209 959 HB3 PRO 131 2HB PRO 131 -3.755 -14.098 18.125 960 HG2 PRO 131 1HG PRO 131 -1.560 -12.453 19.325 961 HG3 PRO 131 2HG PRO 131 -1.669 -14.214 19.147 962 HD2 PRO 131 1HD PRO 131 -0.217 -12.668 17.464 963 HD3 PRO 131 2HD PRO 131 -1.025 -14.157 16.935 964 H GLU 132 H GLU 132 -5.057 -10.533 16.238 965 HA GLU 132 HA GLU 132 -4.443 -8.488 18.258 966 HB2 GLU 132 1HB GLU 132 -4.608 -6.749 16.501 967 HB3 GLU 132 2HB GLU 132 -3.245 -7.833 16.263 968 HG2 GLU 132 1HG GLU 132 -4.992 -9.114 14.750 969 HG3 GLU 132 2HG GLU 132 -5.719 -7.511 14.663 970 H VAL 133 H VAL 133 -6.289 -8.555 19.411 971 HA VAL 133 HA VAL 133 -8.781 -7.956 17.970 972 HB VAL 133 HB VAL 133 -8.754 -10.360 18.590 973 HG11 VAL 133 1HG1 VAL 133 -9.062 -9.638 21.460 974 HG12 VAL 133 2HG1 VAL 133 -8.489 -11.137 20.726 975 HG13 VAL 133 3HG1 VAL 133 -7.436 -9.723 20.784 976 HG21 VAL 133 1HG2 VAL 133 -10.962 -10.157 18.701 977 HG22 VAL 133 2HG2 VAL 133 -10.856 -9.614 20.375 978 HG23 VAL 133 3HG2 VAL 133 -10.771 -8.441 19.061 979 H THR 134 H THR 134 -9.697 -6.166 18.708 980 HA THR 134 HA THR 134 -9.383 -5.462 21.544 981 HB THR 134 HB THR 134 -7.768 -4.117 20.265 982 HG1 THR 134 1HG THR 134 -10.011 -2.851 21.443 983 HG21 THR 134 1HG2 THR 134 -8.935 -4.073 18.115 984 HG22 THR 134 2HG2 THR 134 -8.562 -2.438 18.663 985 HG23 THR 134 3HG2 THR 134 -10.202 -3.067 18.817 986 H SER 135 H SER 135 -11.232 -4.901 22.507 987 HA SER 135 HA SER 135 -13.510 -4.121 20.808 988 HB2 SER 135 1HB SER 135 -13.639 -6.486 21.718 989 HB3 SER 135 2HB SER 135 -13.751 -5.773 23.327 990 HG SER 135 HG SER 135 -15.744 -6.258 21.831 991 H GLY 136 H GLY 136 -14.334 -2.202 21.304 992 HA2 GLY 136 1HA GLY 136 -15.043 -1.259 23.792 993 HA3 GLY 136 2HA GLY 136 -13.389 -0.717 23.554 994 HA PRO 137 HA PRO 137 -16.590 2.140 21.505 995 HB2 PRO 137 1HB PRO 137 -16.450 4.199 23.270 996 HB3 PRO 137 2HB PRO 137 -17.611 2.875 23.428 997 HG2 PRO 137 1HG PRO 137 -14.992 3.275 24.822 998 HG3 PRO 137 2HG PRO 137 -16.541 2.725 25.487 999 HD2 PRO 137 1HD PRO 137 -14.533 1.017 24.867 1000 HD3 PRO 137 2HD PRO 137 -16.245 0.569 24.727 1001 H SER 138 H SER 138 -13.384 1.897 22.171 1002 HA SER 138 HA SER 138 -12.053 4.189 21.956 1003 HB2 SER 138 1HB SER 138 -10.348 3.090 20.679 1004 HB3 SER 138 2HB SER 138 -11.087 1.867 21.713 1005 HG SER 138 HG SER 138 -11.523 2.301 18.946 1006 H SER 139 H SER 139 -13.755 2.686 19.229 1007 HA SER 139 HA SER 139 -13.108 4.273 17.139 1008 HB2 SER 139 1HB SER 139 -15.642 2.940 17.952 1009 HB3 SER 139 2HB SER 139 -15.731 4.105 16.630 1010 HG SER 139 HG SER 139 -15.208 2.297 15.591 1011 H GLY 140 H GLY 140 -15.846 5.026 19.308 1012 HA2 GLY 140 1HA GLY 140 -15.212 7.878 18.992 1013 HA3 GLY 140 2HA GLY 140 -16.833 7.324 18.598 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -28.841 -22.031 -20.470 2 HA2 GLY 1 1HA GLY 1 -26.882 -22.460 -22.530 3 HA3 GLY 1 2HA GLY 1 -27.650 -20.884 -22.640 4 H SER 2 H SER 2 -25.040 -20.795 -22.297 5 HA SER 2 HA SER 2 -24.688 -20.176 -19.436 6 HB2 SER 2 1HB SER 2 -23.330 -22.127 -20.155 7 HB3 SER 2 2HB SER 2 -22.541 -21.107 -21.359 8 HG SER 2 HG SER 2 -21.212 -20.652 -19.801 9 H SER 3 H SER 3 -23.247 -19.449 -22.620 10 HA SER 3 HA SER 3 -22.392 -17.526 -23.493 11 HB2 SER 3 1HB SER 3 -24.772 -16.522 -21.943 12 HB3 SER 3 2HB SER 3 -23.763 -15.430 -22.891 13 HG SER 3 HG SER 3 -24.849 -16.072 -24.557 14 H GLY 4 H GLY 4 -20.985 -18.443 -21.283 15 HA2 GLY 4 1HA GLY 4 -20.355 -15.996 -19.767 16 HA3 GLY 4 2HA GLY 4 -19.964 -17.632 -19.258 17 H SER 5 H SER 5 -18.795 -14.836 -20.697 18 HA SER 5 HA SER 5 -16.186 -15.943 -21.021 19 HB2 SER 5 1HB SER 5 -15.979 -15.398 -23.460 20 HB3 SER 5 2HB SER 5 -17.052 -16.757 -23.123 21 HG SER 5 HG SER 5 -18.798 -15.485 -23.532 22 H SER 6 H SER 6 -14.620 -14.286 -21.802 23 HA SER 6 HA SER 6 -15.513 -11.532 -21.746 24 HB2 SER 6 1HB SER 6 -15.199 -12.286 -19.324 25 HB3 SER 6 2HB SER 6 -13.478 -12.399 -19.692 26 HG SER 6 HG SER 6 -14.904 -10.233 -19.074 27 H GLY 7 H GLY 7 -13.886 -10.034 -22.408 28 HA2 GLY 7 1HA GLY 7 -11.222 -10.572 -22.928 29 HA3 GLY 7 2HA GLY 7 -12.103 -11.106 -24.351 30 H ASP 8 H ASP 8 -11.725 -8.299 -22.205 31 HA ASP 8 HA ASP 8 -11.756 -6.579 -24.574 32 HB2 ASP 8 1HB ASP 8 -13.308 -5.018 -23.607 33 HB3 ASP 8 2HB ASP 8 -14.054 -6.613 -23.573 34 H ASP 9 H ASP 9 -10.201 -5.081 -24.532 35 HA ASP 9 HA ASP 9 -8.367 -5.000 -22.340 36 HB2 ASP 9 1HB ASP 9 -8.509 -3.273 -24.821 37 HB3 ASP 9 2HB ASP 9 -7.147 -3.353 -23.705 38 H ASP 10 H ASP 10 -9.575 -4.236 -20.579 39 HA ASP 10 HA ASP 10 -10.099 -1.341 -20.663 40 HB2 ASP 10 1HB ASP 10 -11.773 -3.408 -19.220 41 HB3 ASP 10 2HB ASP 10 -12.028 -1.666 -19.179 42 H LEU 11 H LEU 11 -9.948 -4.005 -18.291 43 HA LEU 11 HA LEU 11 -8.988 -2.405 -16.186 44 HB2 LEU 11 1HB LEU 11 -8.135 -4.796 -15.412 45 HB3 LEU 11 2HB LEU 11 -9.832 -4.325 -15.342 46 HG LEU 11 HG LEU 11 -10.356 -5.602 -17.274 47 HD11 LEU 11 1HD1 LEU 11 -8.871 -6.449 -18.806 48 HD12 LEU 11 2HD1 LEU 11 -7.540 -6.506 -17.651 49 HD13 LEU 11 3HD1 LEU 11 -8.052 -4.961 -18.330 50 HD21 LEU 11 1HD2 LEU 11 -9.312 -6.735 -14.947 51 HD22 LEU 11 2HD2 LEU 11 -8.620 -7.673 -16.272 52 HD23 LEU 11 3HD2 LEU 11 -10.371 -7.506 -16.128 53 H GLU 12 H GLU 12 -7.294 -1.174 -17.183 54 HA GLU 12 HA GLU 12 -4.816 -2.670 -17.688 55 HB2 GLU 12 1HB GLU 12 -5.634 -1.144 -19.478 56 HB3 GLU 12 2HB GLU 12 -5.454 0.205 -18.366 57 HG2 GLU 12 1HG GLU 12 -3.058 -0.214 -18.228 58 HG3 GLU 12 2HG GLU 12 -3.231 -1.583 -19.326 59 H VAL 13 H VAL 13 -2.787 -1.627 -16.943 60 HA VAL 13 HA VAL 13 -3.127 -0.064 -14.480 61 HB VAL 13 HB VAL 13 -1.384 -2.520 -14.731 62 HG11 VAL 13 1HG1 VAL 13 -0.504 -2.081 -12.638 63 HG12 VAL 13 2HG1 VAL 13 -0.583 -0.469 -13.350 64 HG13 VAL 13 3HG1 VAL 13 -1.816 -0.988 -12.200 65 HG21 VAL 13 1HG2 VAL 13 -3.781 -2.023 -12.969 66 HG22 VAL 13 2HG2 VAL 13 -3.795 -2.987 -14.446 67 HG23 VAL 13 3HG2 VAL 13 -2.831 -3.505 -13.064 68 H LYS 14 H LYS 14 -1.649 1.512 -14.185 69 HA LYS 14 HA LYS 14 0.412 1.804 -16.252 70 HB2 LYS 14 1HB LYS 14 -0.942 3.765 -14.409 71 HB3 LYS 14 2HB LYS 14 0.518 4.184 -15.297 72 HG2 LYS 14 1HG LYS 14 -0.585 3.864 -17.393 73 HG3 LYS 14 2HG LYS 14 -2.016 3.207 -16.595 74 HD2 LYS 14 1HD LYS 14 -1.019 5.979 -16.010 75 HD3 LYS 14 2HD LYS 14 -2.090 5.650 -17.374 76 HE2 LYS 14 1HE LYS 14 -3.510 4.415 -15.541 77 HE3 LYS 14 2HE LYS 14 -2.624 5.474 -14.445 78 HZ1 LYS 14 1HZ LYS 14 -3.561 6.986 -16.620 79 HZ2 LYS 14 2HZ LYS 14 -3.970 7.127 -14.985 80 HZ3 LYS 14 3HZ LYS 14 -4.856 6.095 -15.991 81 H GLU 15 H GLU 15 2.330 3.249 -15.288 82 HA GLU 15 HA GLU 15 3.153 2.275 -12.666 83 HB2 GLU 15 1HB GLU 15 5.276 1.412 -13.465 84 HB3 GLU 15 2HB GLU 15 3.954 0.575 -14.266 85 HG2 GLU 15 1HG GLU 15 4.305 2.336 -16.134 86 HG3 GLU 15 2HG GLU 15 5.882 2.562 -15.379 87 H GLU 16 H GLU 16 3.784 4.015 -11.592 88 HA GLU 16 HA GLU 16 5.035 6.224 -13.077 89 HB2 GLU 16 1HB GLU 16 3.339 6.105 -10.617 90 HB3 GLU 16 2HB GLU 16 4.477 7.432 -10.805 91 HG2 GLU 16 1HG GLU 16 2.053 7.744 -11.601 92 HG3 GLU 16 2HG GLU 16 3.369 8.303 -12.632 93 H ASN 17 H ASN 17 7.141 6.526 -12.836 94 HA ASN 17 HA ASN 17 9.286 6.151 -12.115 95 HB2 ASN 17 1HB ASN 17 7.788 7.223 -9.747 96 HB3 ASN 17 2HB ASN 17 9.494 6.815 -9.595 97 HD21 ASN 17 1HD2 ASN 17 7.325 9.198 -10.377 98 HD22 ASN 17 2HD2 ASN 17 8.390 10.278 -11.205 99 H GLY 18 H GLY 18 8.013 3.735 -12.328 100 HA2 GLY 18 1HA GLY 18 8.443 1.544 -11.747 101 HA3 GLY 18 2HA GLY 18 9.538 2.139 -10.507 102 H VAL 19 H VAL 19 6.117 2.935 -10.830 103 HA VAL 19 HA VAL 19 5.506 1.269 -8.497 104 HB VAL 19 HB VAL 19 4.749 4.187 -8.706 105 HG11 VAL 19 1HG1 VAL 19 3.072 3.644 -7.349 106 HG12 VAL 19 2HG1 VAL 19 3.659 1.988 -7.184 107 HG13 VAL 19 3HG1 VAL 19 4.280 3.256 -6.126 108 HG21 VAL 19 1HG2 VAL 19 6.419 3.053 -6.513 109 HG22 VAL 19 2HG2 VAL 19 7.176 3.428 -8.061 110 HG23 VAL 19 3HG2 VAL 19 6.360 4.697 -7.148 111 H TRP 20 H TRP 20 3.980 -0.061 -9.221 112 HA TRP 20 HA TRP 20 2.271 0.485 -11.399 113 HB2 TRP 20 1HB TRP 20 1.906 -1.583 -9.221 114 HB3 TRP 20 2HB TRP 20 1.145 -1.593 -10.810 115 HD1 TRP 20 HD TRP 20 4.122 -2.867 -9.017 116 HE1 TRP 20 1HE TRP 20 5.786 -3.922 -10.673 117 HE3 TRP 20 3HE TRP 20 2.111 -1.149 -13.392 118 HZ2 TRP 20 2HZ TRP 20 6.192 -4.014 -13.465 119 HZ3 TRP 20 3HZ TRP 20 3.198 -1.766 -15.512 120 HH2 TRP 20 HH TRP 20 5.197 -3.168 -15.545 121 H VAL 21 H VAL 21 0.529 1.728 -11.482 122 HA VAL 21 HA VAL 21 -0.685 2.700 -9.032 123 HB VAL 21 HB VAL 21 -1.218 3.374 -11.927 124 HG11 VAL 21 1HG1 VAL 21 -3.259 3.642 -10.644 125 HG12 VAL 21 2HG1 VAL 21 -2.396 4.585 -9.428 126 HG13 VAL 21 3HG1 VAL 21 -2.593 5.220 -11.062 127 HG21 VAL 21 1HG2 VAL 21 0.953 4.079 -10.680 128 HG22 VAL 21 2HG2 VAL 21 0.067 5.274 -11.627 129 HG23 VAL 21 3HG2 VAL 21 -0.103 5.238 -9.872 130 H LEU 22 H LEU 22 -2.158 1.451 -8.082 131 HA LEU 22 HA LEU 22 -3.964 -0.156 -9.742 132 HB2 LEU 22 1HB LEU 22 -3.384 -0.268 -6.786 133 HB3 LEU 22 2HB LEU 22 -4.510 -1.324 -7.637 134 HG LEU 22 HG LEU 22 -1.520 -1.217 -8.028 135 HD11 LEU 22 1HD1 LEU 22 -2.008 -2.295 -5.971 136 HD12 LEU 22 2HD1 LEU 22 -1.687 -3.564 -7.152 137 HD13 LEU 22 3HD1 LEU 22 -3.347 -3.196 -6.684 138 HD21 LEU 22 1HD2 LEU 22 -3.554 -3.051 -9.291 139 HD22 LEU 22 2HD2 LEU 22 -1.809 -3.078 -9.540 140 HD23 LEU 22 3HD2 LEU 22 -2.759 -1.704 -10.107 141 H ASN 23 H ASN 23 -6.232 -0.393 -8.808 142 HA ASN 23 HA ASN 23 -7.341 1.700 -7.253 143 HB2 ASN 23 1HB ASN 23 -8.794 2.468 -9.347 144 HB3 ASN 23 2HB ASN 23 -7.263 3.242 -8.949 145 HD21 ASN 23 1HD2 ASN 23 -8.641 0.621 -10.878 146 HD22 ASN 23 2HD2 ASN 23 -7.525 0.763 -12.189 147 H ASP 24 H ASP 24 -9.713 1.568 -7.136 148 HA ASP 24 HA ASP 24 -10.679 -0.939 -6.689 149 HB2 ASP 24 1HB ASP 24 -12.958 0.026 -6.885 150 HB3 ASP 24 2HB ASP 24 -11.869 1.038 -5.939 151 H GLY 25 H GLY 25 -10.171 0.557 -9.736 152 HA2 GLY 25 1HA GLY 25 -12.017 -1.083 -11.216 153 HA3 GLY 25 2HA GLY 25 -10.784 -0.028 -11.891 154 H ASN 26 H ASN 26 -8.545 -1.150 -10.558 155 HA ASN 26 HA ASN 26 -8.477 -3.861 -11.709 156 HB2 ASN 26 1HB ASN 26 -6.327 -3.485 -12.636 157 HB3 ASN 26 2HB ASN 26 -7.283 -2.073 -13.077 158 HD21 ASN 26 1HD2 ASN 26 -6.153 -0.288 -12.954 159 HD22 ASN 26 2HD2 ASN 26 -4.954 0.087 -11.767 160 H PHE 27 H PHE 27 -8.791 -2.704 -8.921 161 HA PHE 27 HA PHE 27 -6.438 -3.242 -7.454 162 HB2 PHE 27 1HB PHE 27 -8.389 -1.891 -6.639 163 HB3 PHE 27 2HB PHE 27 -9.284 -3.395 -6.447 164 HD1 PHE 27 1HD PHE 27 -6.565 -1.325 -5.155 165 HD2 PHE 27 2HD PHE 27 -8.755 -4.943 -4.672 166 HE1 PHE 27 1HE PHE 27 -5.616 -1.595 -2.901 167 HE2 PHE 27 2HE PHE 27 -7.810 -5.217 -2.417 168 HZ PHE 27 HZ PHE 27 -6.240 -3.542 -1.528 169 H ASP 28 H ASP 28 -9.445 -5.154 -7.659 170 HA ASP 28 HA ASP 28 -8.371 -7.440 -6.412 171 HB2 ASP 28 1HB ASP 28 -10.753 -7.076 -8.233 172 HB3 ASP 28 2HB ASP 28 -10.363 -8.608 -7.455 173 H ASN 29 H ASN 29 -8.799 -6.604 -9.833 174 HA ASN 29 HA ASN 29 -7.991 -8.974 -11.000 175 HB2 ASN 29 1HB ASN 29 -7.679 -6.109 -11.880 176 HB3 ASN 29 2HB ASN 29 -7.144 -7.450 -12.889 177 HD21 ASN 29 1HD2 ASN 29 -8.720 -8.983 -13.594 178 HD22 ASN 29 2HD2 ASN 29 -10.374 -8.512 -13.760 179 H PHE 30 H PHE 30 -6.001 -6.295 -9.823 180 HA PHE 30 HA PHE 30 -3.524 -7.327 -10.704 181 HB2 PHE 30 1HB PHE 30 -3.988 -4.951 -9.983 182 HB3 PHE 30 2HB PHE 30 -3.960 -5.525 -8.319 183 HD1 PHE 30 1HD PHE 30 -1.933 -5.087 -11.367 184 HD2 PHE 30 2HD PHE 30 -1.923 -5.942 -7.198 185 HE1 PHE 30 1HE PHE 30 0.512 -4.815 -11.321 186 HE2 PHE 30 2HE PHE 30 0.522 -5.670 -7.145 187 HZ PHE 30 HZ PHE 30 1.743 -5.105 -9.208 188 H VAL 31 H VAL 31 -4.821 -7.192 -7.381 189 HA VAL 31 HA VAL 31 -2.908 -8.996 -6.334 190 HB VAL 31 HB VAL 31 -4.196 -8.998 -4.312 191 HG11 VAL 31 1HG1 VAL 31 -3.082 -6.997 -4.343 192 HG12 VAL 31 2HG1 VAL 31 -3.936 -6.418 -5.775 193 HG13 VAL 31 3HG1 VAL 31 -4.746 -6.429 -4.208 194 HG21 VAL 31 1HG2 VAL 31 -6.427 -7.895 -6.009 195 HG22 VAL 31 2HG2 VAL 31 -6.398 -9.424 -5.130 196 HG23 VAL 31 3HG2 VAL 31 -6.446 -7.899 -4.245 197 H ALA 32 H ALA 32 -5.381 -9.578 -8.431 198 HA ALA 32 HA ALA 32 -6.752 -11.792 -7.581 199 HB1 ALA 32 1HB ALA 32 -5.648 -11.266 -10.337 200 HB2 ALA 32 2HB ALA 32 -6.888 -12.461 -9.953 201 HB3 ALA 32 3HB ALA 32 -7.211 -10.744 -9.708 202 H ASP 33 H ASP 33 -3.603 -11.812 -9.255 203 HA ASP 33 HA ASP 33 -3.168 -14.529 -8.201 204 HB2 ASP 33 1HB ASP 33 -1.829 -13.308 -10.619 205 HB3 ASP 33 2HB ASP 33 -1.774 -14.991 -10.102 206 H LYS 34 H LYS 34 -2.632 -12.609 -6.434 207 HA LYS 34 HA LYS 34 0.279 -12.701 -6.262 208 HB2 LYS 34 1HB LYS 34 -1.286 -10.141 -5.892 209 HB3 LYS 34 2HB LYS 34 0.442 -10.339 -5.636 210 HG2 LYS 34 1HG LYS 34 0.505 -11.072 -8.103 211 HG3 LYS 34 2HG LYS 34 -1.091 -10.326 -8.205 212 HD2 LYS 34 1HD LYS 34 0.221 -8.537 -8.770 213 HD3 LYS 34 2HD LYS 34 0.152 -8.321 -7.020 214 HE2 LYS 34 1HE LYS 34 2.343 -9.867 -8.383 215 HE3 LYS 34 2HE LYS 34 2.439 -8.128 -8.107 216 HZ1 LYS 34 1HZ LYS 34 3.429 -8.866 -6.222 217 HZ2 LYS 34 2HZ LYS 34 2.575 -10.326 -6.187 218 HZ3 LYS 34 3HZ LYS 34 1.828 -8.897 -5.675 219 H ASP 35 H ASP 35 0.691 -13.659 -4.392 220 HA ASP 35 HA ASP 35 -1.208 -13.823 -2.278 221 HB2 ASP 35 1HB ASP 35 1.689 -14.423 -1.837 222 HB3 ASP 35 2HB ASP 35 0.266 -15.286 -1.256 223 H THR 36 H THR 36 1.558 -11.788 -2.940 224 HA THR 36 HA THR 36 0.914 -10.229 -0.528 225 HB THR 36 HB THR 36 3.721 -10.670 -1.560 226 HG1 THR 36 1HG THR 36 2.823 -11.666 0.909 227 HG21 THR 36 1HG2 THR 36 4.338 -9.672 0.638 228 HG22 THR 36 2HG2 THR 36 2.632 -9.317 0.909 229 HG23 THR 36 3HG2 THR 36 3.489 -8.555 -0.430 230 H VAL 37 H VAL 37 0.232 -8.284 -1.113 231 HA VAL 37 HA VAL 37 1.557 -6.941 -3.372 232 HB VAL 37 HB VAL 37 -1.404 -6.787 -2.793 233 HG11 VAL 37 1HG1 VAL 37 -1.469 -5.651 -5.001 234 HG12 VAL 37 2HG1 VAL 37 -0.577 -4.752 -3.772 235 HG13 VAL 37 3HG1 VAL 37 0.294 -5.655 -5.012 236 HG21 VAL 37 1HG2 VAL 37 -0.889 -7.880 -5.348 237 HG22 VAL 37 2HG2 VAL 37 0.086 -8.781 -4.187 238 HG23 VAL 37 3HG2 VAL 37 -1.659 -8.657 -3.964 239 H LEU 38 H LEU 38 2.451 -5.095 -2.757 240 HA LEU 38 HA LEU 38 1.796 -3.914 -0.208 241 HB2 LEU 38 1HB LEU 38 4.110 -4.042 -0.917 242 HB3 LEU 38 2HB LEU 38 3.745 -3.091 -2.355 243 HG LEU 38 HG LEU 38 3.118 -1.207 -0.771 244 HD11 LEU 38 1HD1 LEU 38 4.791 -1.887 1.368 245 HD12 LEU 38 2HD1 LEU 38 3.719 -3.267 1.135 246 HD13 LEU 38 3HD1 LEU 38 3.042 -1.660 1.398 247 HD21 LEU 38 1HD2 LEU 38 5.332 -0.417 -0.676 248 HD22 LEU 38 2HD2 LEU 38 5.277 -1.479 -2.083 249 HD23 LEU 38 3HD2 LEU 38 5.997 -2.048 -0.576 250 H LEU 39 H LEU 39 0.357 -2.359 0.118 251 HA LEU 39 HA LEU 39 -0.462 -0.701 -2.177 252 HB2 LEU 39 1HB LEU 39 -2.158 -1.494 0.184 253 HB3 LEU 39 2HB LEU 39 -2.677 -0.569 -1.223 254 HG LEU 39 HG LEU 39 -1.751 -3.435 -1.353 255 HD11 LEU 39 1HD1 LEU 39 -3.793 -3.130 0.049 256 HD12 LEU 39 2HD1 LEU 39 -4.042 -4.101 -1.402 257 HD13 LEU 39 3HD1 LEU 39 -4.589 -2.425 -1.359 258 HD21 LEU 39 1HD2 LEU 39 -1.841 -1.690 -3.366 259 HD22 LEU 39 2HD2 LEU 39 -3.534 -2.185 -3.362 260 HD23 LEU 39 3HD2 LEU 39 -2.262 -3.391 -3.564 261 H GLU 40 H GLU 40 -0.171 1.420 -1.975 262 HA GLU 40 HA GLU 40 0.194 2.528 0.731 263 HB2 GLU 40 1HB GLU 40 2.330 2.417 -0.480 264 HB3 GLU 40 2HB GLU 40 1.633 3.349 -1.798 265 HG2 GLU 40 1HG GLU 40 1.584 5.306 -0.564 266 HG3 GLU 40 2HG GLU 40 1.669 4.454 0.977 267 H PHE 41 H PHE 41 -1.443 3.819 1.217 268 HA PHE 41 HA PHE 41 -2.996 5.094 -0.877 269 HB2 PHE 41 1HB PHE 41 -3.360 5.137 2.127 270 HB3 PHE 41 2HB PHE 41 -4.508 5.757 0.944 271 HD1 PHE 41 2HD PHE 41 -3.042 2.750 2.426 272 HD2 PHE 41 1HD PHE 41 -5.883 4.271 -0.354 273 HE1 PHE 41 2HE PHE 41 -4.096 0.531 2.295 274 HE2 PHE 41 1HE PHE 41 -6.943 2.054 -0.490 275 HZ PHE 41 HZ PHE 41 -6.049 0.180 0.835 276 H TYR 42 H TYR 42 -3.023 7.224 -1.353 277 HA TYR 42 HA TYR 42 -1.575 9.089 0.377 278 HB2 TYR 42 1HB TYR 42 -0.190 9.926 -1.333 279 HB3 TYR 42 2HB TYR 42 -0.088 8.177 -1.502 280 HD1 TYR 42 2HD TYR 42 -1.722 11.205 -2.893 281 HD2 TYR 42 1HD TYR 42 -0.690 7.125 -3.520 282 HE1 TYR 42 2HE TYR 42 -2.405 11.400 -5.247 283 HE2 TYR 42 1HE TYR 42 -1.369 7.309 -5.877 284 HH TYR 42 HH TYR 42 -1.694 10.044 -7.488 285 H ALA 43 H ALA 43 -1.871 11.399 -0.475 286 HA ALA 43 HA ALA 43 -4.486 11.742 -1.765 287 HB1 ALA 43 1HB ALA 43 -5.295 13.216 -0.116 288 HB2 ALA 43 2HB ALA 43 -4.650 11.831 0.765 289 HB3 ALA 43 3HB ALA 43 -3.720 13.327 0.671 290 HA PRO 44 HA PRO 44 -2.298 14.776 -4.103 291 HB2 PRO 44 1HB PRO 44 -4.437 16.096 -5.129 292 HB3 PRO 44 2HB PRO 44 -3.934 14.499 -5.693 293 HG2 PRO 44 1HG PRO 44 -6.109 15.230 -3.771 294 HG3 PRO 44 2HG PRO 44 -6.131 14.040 -5.087 295 HD2 PRO 44 1HD PRO 44 -5.783 13.340 -2.494 296 HD3 PRO 44 2HD PRO 44 -5.033 12.448 -3.833 297 H TRP 45 H TRP 45 -4.761 15.676 -1.770 298 HA TRP 45 HA TRP 45 -3.932 18.456 -1.744 299 HB2 TRP 45 1HB TRP 45 -5.619 18.525 0.209 300 HB3 TRP 45 2HB TRP 45 -6.240 18.230 -1.413 301 HD1 TRP 45 HD TRP 45 -7.612 16.064 -1.773 302 HE1 TRP 45 1HE TRP 45 -8.237 14.050 -0.297 303 HE3 TRP 45 3HE TRP 45 -4.576 17.018 2.228 304 HZ2 TRP 45 2HZ TRP 45 -7.535 13.005 2.230 305 HZ3 TRP 45 3HZ TRP 45 -4.613 15.462 4.134 306 HH2 TRP 45 HH TRP 45 -6.063 13.498 4.133 307 H CYS 46 H CYS 46 -2.535 15.785 -0.614 308 HA CYS 46 HA CYS 46 -1.761 16.916 1.980 309 HB2 CYS 46 1HB CYS 46 -2.566 14.538 1.853 310 HB3 CYS 46 2HB CYS 46 -1.139 14.166 0.893 311 HG CYS 46 HG CYS 46 0.665 14.309 2.839 312 H GLY 47 H GLY 47 -0.119 18.310 1.750 313 HA2 GLY 47 1HA GLY 47 1.841 18.124 -0.307 314 HA3 GLY 47 2HA GLY 47 1.893 19.203 1.079 315 H HIS 48 H HIS 48 1.788 17.169 3.088 316 HA HIS 48 HA HIS 48 4.467 16.687 3.531 317 HB2 HIS 48 1HB HIS 48 2.020 15.234 4.534 318 HB3 HIS 48 2HB HIS 48 3.644 14.854 5.102 319 HD1 HIS 48 1HD HIS 48 4.636 16.359 6.861 320 HD2 HIS 48 2HD HIS 48 1.115 17.866 5.253 321 HE1 HIS 48 1HE HIS 48 4.029 18.330 8.300 322 HE2 HIS 48 2HE HIS 48 1.850 19.174 7.360 323 H CYS 49 H CYS 49 2.161 14.794 1.704 324 HA CYS 49 HA CYS 49 3.664 12.418 1.501 325 HB2 CYS 49 1HB CYS 49 1.500 13.623 -0.216 326 HB3 CYS 49 2HB CYS 49 2.247 12.079 -0.607 327 HG CYS 49 HG CYS 49 -0.383 12.234 0.918 328 H LYS 50 H LYS 50 3.690 15.412 -0.323 329 HA LYS 50 HA LYS 50 5.065 14.700 -2.595 330 HB2 LYS 50 1HB LYS 50 5.259 17.208 -0.927 331 HB3 LYS 50 2HB LYS 50 6.040 17.038 -2.494 332 HG2 LYS 50 1HG LYS 50 3.994 16.918 -3.627 333 HG3 LYS 50 2HG LYS 50 3.093 16.604 -2.142 334 HD2 LYS 50 1HD LYS 50 3.386 18.836 -1.390 335 HD3 LYS 50 2HD LYS 50 4.587 19.171 -2.639 336 HE2 LYS 50 1HE LYS 50 2.963 19.187 -4.341 337 HE3 LYS 50 2HE LYS 50 1.759 18.413 -3.312 338 HZ1 LYS 50 1HZ LYS 50 1.383 20.363 -2.147 339 HZ2 LYS 50 2HZ LYS 50 1.574 20.916 -3.733 340 HZ3 LYS 50 3HZ LYS 50 2.844 21.069 -2.626 341 H GLN 51 H GLN 51 6.320 15.208 0.651 342 HA GLN 51 HA GLN 51 9.069 15.116 -0.059 343 HB2 GLN 51 1HB GLN 51 7.539 14.857 2.504 344 HB3 GLN 51 2HB GLN 51 9.253 14.464 2.470 345 HG2 GLN 51 1HG GLN 51 8.333 17.066 1.351 346 HG3 GLN 51 2HG GLN 51 8.445 16.862 3.098 347 HE21 GLN 51 1HE2 GLN 51 10.075 18.486 3.071 348 HE22 GLN 51 2HE2 GLN 51 11.695 18.095 2.618 349 H PHE 52 H PHE 52 6.656 12.699 0.597 350 HA PHE 52 HA PHE 52 8.620 10.570 0.826 351 HB2 PHE 52 1HB PHE 52 6.404 10.712 2.130 352 HB3 PHE 52 2HB PHE 52 5.638 10.197 0.631 353 HD1 PHE 52 1HD PHE 52 8.689 9.180 2.530 354 HD2 PHE 52 2HD PHE 52 5.064 7.985 0.647 355 HE1 PHE 52 1HE PHE 52 9.172 6.834 3.096 356 HE2 PHE 52 2HE PHE 52 5.540 5.638 1.210 357 HZ PHE 52 HZ PHE 52 7.596 5.060 2.437 358 H ALA 53 H ALA 53 6.499 11.967 -1.544 359 HA ALA 53 HA ALA 53 5.971 10.150 -3.413 360 HB1 ALA 53 1HB ALA 53 7.303 12.239 -4.828 361 HB2 ALA 53 2HB ALA 53 5.572 11.961 -4.629 362 HB3 ALA 53 3HB ALA 53 6.450 12.931 -3.447 363 HA PRO 54 HA PRO 54 10.454 9.996 -5.199 364 HB2 PRO 54 1HB PRO 54 12.413 11.226 -3.778 365 HB3 PRO 54 2HB PRO 54 11.470 12.049 -5.026 366 HG2 PRO 54 1HG PRO 54 11.137 12.110 -2.052 367 HG3 PRO 54 2HG PRO 54 11.051 13.446 -3.214 368 HD2 PRO 54 1HD PRO 54 8.841 12.262 -2.189 369 HD3 PRO 54 2HD PRO 54 8.889 12.937 -3.831 370 H GLU 55 H GLU 55 9.971 9.898 -1.733 371 HA GLU 55 HA GLU 55 12.074 8.091 -1.129 372 HB2 GLU 55 1HB GLU 55 11.004 9.505 0.576 373 HB3 GLU 55 2HB GLU 55 9.501 8.617 0.369 374 HG2 GLU 55 1HG GLU 55 10.814 7.953 2.364 375 HG3 GLU 55 2HG GLU 55 10.464 6.628 1.255 376 H TYR 56 H TYR 56 8.597 7.638 -1.702 377 HA TYR 56 HA TYR 56 8.482 4.886 -1.279 378 HB2 TYR 56 1HB TYR 56 6.569 6.569 -1.667 379 HB3 TYR 56 2HB TYR 56 6.835 6.275 -3.382 380 HD1 TYR 56 1HD TYR 56 6.908 3.914 -0.494 381 HD2 TYR 56 2HD TYR 56 4.998 5.060 -4.119 382 HE1 TYR 56 1HE TYR 56 5.481 1.916 -0.367 383 HE2 TYR 56 2HE TYR 56 3.564 3.065 -4.001 384 HH TYR 56 HH TYR 56 2.900 1.349 -2.717 385 H GLU 57 H GLU 57 8.766 6.596 -4.400 386 HA GLU 57 HA GLU 57 8.976 4.582 -6.166 387 HB2 GLU 57 1HB GLU 57 10.769 7.012 -6.033 388 HB3 GLU 57 2HB GLU 57 10.620 5.965 -7.438 389 HG2 GLU 57 1HG GLU 57 8.322 6.561 -7.721 390 HG3 GLU 57 2HG GLU 57 8.318 7.455 -6.202 391 H LYS 58 H LYS 58 11.680 5.738 -4.164 392 HA LYS 58 HA LYS 58 13.662 4.037 -5.069 393 HB2 LYS 58 1HB LYS 58 13.182 5.114 -2.287 394 HB3 LYS 58 2HB LYS 58 14.661 4.300 -2.780 395 HG2 LYS 58 1HG LYS 58 15.200 6.027 -4.317 396 HG3 LYS 58 2HG LYS 58 13.610 6.771 -4.132 397 HD2 LYS 58 1HD LYS 58 14.240 7.028 -1.656 398 HD3 LYS 58 2HD LYS 58 15.892 6.694 -2.181 399 HE2 LYS 58 1HE LYS 58 14.164 8.868 -3.352 400 HE3 LYS 58 2HE LYS 58 15.295 9.126 -2.024 401 HZ1 LYS 58 1HZ LYS 58 15.811 8.792 -4.845 402 HZ2 LYS 58 2HZ LYS 58 16.840 7.897 -3.844 403 HZ3 LYS 58 3HZ LYS 58 16.731 9.575 -3.660 404 H ILE 59 H ILE 59 11.368 3.485 -2.405 405 HA ILE 59 HA ILE 59 12.247 0.956 -1.646 406 HB ILE 59 HB ILE 59 9.480 2.151 -1.553 407 HG12 ILE 59 1HG1 ILE 59 11.376 1.633 0.731 408 HG13 ILE 59 2HG1 ILE 59 11.436 3.124 -0.202 409 HG21 ILE 59 1HG2 ILE 59 10.495 -0.444 -0.416 410 HG22 ILE 59 2HG2 ILE 59 9.021 0.350 0.136 411 HG23 ILE 59 3HG2 ILE 59 9.152 -0.204 -1.533 412 HD11 ILE 59 1HD1 ILE 59 9.129 3.606 0.419 413 HD12 ILE 59 2HD1 ILE 59 9.067 2.110 1.350 414 HD13 ILE 59 3HD1 ILE 59 10.156 3.408 1.838 415 H ALA 60 H ALA 60 9.816 1.864 -4.068 416 HA ALA 60 HA ALA 60 8.788 -0.539 -4.809 417 HB1 ALA 60 1HB ALA 60 9.373 0.799 -7.233 418 HB2 ALA 60 2HB ALA 60 7.854 0.769 -6.336 419 HB3 ALA 60 3HB ALA 60 9.046 2.028 -6.010 420 H SER 61 H SER 61 11.740 0.871 -6.240 421 HA SER 61 HA SER 61 12.447 -1.310 -7.814 422 HB2 SER 61 1HB SER 61 13.642 0.644 -8.274 423 HB3 SER 61 2HB SER 61 14.019 0.930 -6.575 424 HG SER 61 HG SER 61 15.648 -0.067 -8.221 425 H THR 62 H THR 62 13.386 -0.547 -4.478 426 HA THR 62 HA THR 62 15.193 -2.535 -3.957 427 HB THR 62 HB THR 62 13.015 -1.696 -2.036 428 HG1 THR 62 1HG THR 62 15.448 -0.455 -2.809 429 HG21 THR 62 1HG2 THR 62 15.826 -2.390 -1.287 430 HG22 THR 62 2HG2 THR 62 14.655 -3.678 -1.571 431 HG23 THR 62 3HG2 THR 62 14.355 -2.473 -0.319 432 H LEU 63 H LEU 63 11.722 -2.830 -3.174 433 HA LEU 63 HA LEU 63 11.832 -5.618 -2.750 434 HB2 LEU 63 1HB LEU 63 9.461 -3.891 -3.447 435 HB3 LEU 63 2HB LEU 63 9.386 -5.527 -2.795 436 HG LEU 63 HG LEU 63 10.631 -3.219 -1.314 437 HD11 LEU 63 1HD1 LEU 63 8.542 -3.122 -0.029 438 HD12 LEU 63 2HD1 LEU 63 7.814 -4.279 -1.142 439 HD13 LEU 63 3HD1 LEU 63 8.302 -2.686 -1.721 440 HD21 LEU 63 1HD2 LEU 63 9.611 -5.895 -0.369 441 HD22 LEU 63 2HD2 LEU 63 10.399 -4.659 0.613 442 HD23 LEU 63 3HD2 LEU 63 11.306 -5.497 -0.647 443 H LYS 64 H LYS 64 11.673 -3.732 -5.602 444 HA LYS 64 HA LYS 64 10.308 -5.403 -7.361 445 HB2 LYS 64 1HB LYS 64 11.432 -3.016 -7.647 446 HB3 LYS 64 2HB LYS 64 12.746 -3.973 -8.318 447 HG2 LYS 64 1HG LYS 64 11.566 -4.558 -10.165 448 HG3 LYS 64 2HG LYS 64 10.016 -4.529 -9.322 449 HD2 LYS 64 1HD LYS 64 9.788 -2.657 -10.614 450 HD3 LYS 64 2HD LYS 64 10.542 -1.941 -9.187 451 HE2 LYS 64 1HE LYS 64 12.140 -2.927 -11.535 452 HE3 LYS 64 2HE LYS 64 11.497 -1.287 -11.455 453 HZ1 LYS 64 1HZ LYS 64 13.157 -2.394 -9.276 454 HZ2 LYS 64 2HZ LYS 64 12.836 -0.774 -9.639 455 HZ3 LYS 64 3HZ LYS 64 13.861 -1.677 -10.636 456 H ASP 65 H ASP 65 13.805 -5.289 -6.684 457 HA ASP 65 HA ASP 65 14.112 -7.876 -8.025 458 HB2 ASP 65 1HB ASP 65 15.618 -5.798 -8.452 459 HB3 ASP 65 2HB ASP 65 16.387 -6.247 -6.932 460 H ASN 66 H ASN 66 12.868 -7.552 -5.373 461 HA ASN 66 HA ASN 66 14.830 -8.762 -3.581 462 HB2 ASN 66 1HB ASN 66 13.466 -6.982 -2.643 463 HB3 ASN 66 2HB ASN 66 11.992 -7.831 -3.099 464 HD21 ASN 66 1HD2 ASN 66 11.186 -9.363 -1.785 465 HD22 ASN 66 2HD2 ASN 66 11.904 -9.840 -0.288 466 H ASP 67 H ASP 67 13.952 -10.595 -2.176 467 HA ASP 67 HA ASP 67 12.347 -12.454 -3.798 468 HB2 ASP 67 1HB ASP 67 14.874 -12.899 -3.801 469 HB3 ASP 67 2HB ASP 67 14.676 -13.353 -2.111 470 HA PRO 68 HA PRO 68 10.960 -13.863 -3.803 471 HB2 PRO 68 1HB PRO 68 8.268 -13.604 -3.563 472 HB3 PRO 68 2HB PRO 68 9.156 -15.007 -2.958 473 HG2 PRO 68 1HG PRO 68 8.164 -12.608 -1.468 474 HG3 PRO 68 2HG PRO 68 8.107 -14.317 -1.001 475 HD2 PRO 68 1HD PRO 68 9.966 -12.603 -0.031 476 HD3 PRO 68 2HD PRO 68 10.300 -14.327 -0.293 477 HA PRO 69 HA PRO 69 10.314 -10.070 -5.931 478 HB2 PRO 69 1HB PRO 69 8.701 -10.801 -7.990 479 HB3 PRO 69 2HB PRO 69 10.407 -11.256 -7.897 480 HG2 PRO 69 1HG PRO 69 7.979 -12.861 -7.197 481 HG3 PRO 69 2HG PRO 69 9.436 -13.361 -8.076 482 HD2 PRO 69 1HD PRO 69 9.042 -13.937 -5.460 483 HD3 PRO 69 2HD PRO 69 10.655 -13.649 -6.141 484 H ILE 70 H ILE 70 9.173 -8.534 -4.901 485 HA ILE 70 HA ILE 70 6.251 -8.841 -4.719 486 HB ILE 70 HB ILE 70 8.043 -6.996 -3.134 487 HG12 ILE 70 1HG1 ILE 70 6.538 -9.320 -1.985 488 HG13 ILE 70 2HG1 ILE 70 8.093 -9.592 -2.764 489 HG21 ILE 70 1HG2 ILE 70 5.129 -7.266 -3.408 490 HG22 ILE 70 2HG2 ILE 70 5.724 -7.167 -1.752 491 HG23 ILE 70 3HG2 ILE 70 6.100 -5.884 -2.902 492 HD11 ILE 70 1HD1 ILE 70 7.661 -8.891 -0.129 493 HD12 ILE 70 2HD1 ILE 70 9.198 -8.845 -0.994 494 HD13 ILE 70 3HD1 ILE 70 8.201 -7.394 -0.889 495 H ALA 71 H ALA 71 4.891 -7.256 -5.470 496 HA ALA 71 HA ALA 71 6.146 -5.218 -7.183 497 HB1 ALA 71 1HB ALA 71 4.217 -7.105 -7.789 498 HB2 ALA 71 2HB ALA 71 3.303 -5.608 -7.603 499 HB3 ALA 71 3HB ALA 71 4.637 -5.688 -8.753 500 H VAL 72 H VAL 72 6.151 -3.230 -6.386 501 HA VAL 72 HA VAL 72 4.341 -2.478 -4.253 502 HB VAL 72 HB VAL 72 6.500 -0.866 -5.622 503 HG11 VAL 72 1HG1 VAL 72 6.092 0.161 -3.092 504 HG12 VAL 72 2HG1 VAL 72 5.532 0.870 -4.608 505 HG13 VAL 72 3HG1 VAL 72 4.461 -0.173 -3.672 506 HG21 VAL 72 1HG2 VAL 72 6.487 -2.693 -3.263 507 HG22 VAL 72 2HG2 VAL 72 7.689 -2.516 -4.541 508 HG23 VAL 72 3HG2 VAL 72 7.567 -1.298 -3.271 509 H ALA 73 H ALA 73 2.635 -1.125 -4.397 510 HA ALA 73 HA ALA 73 2.188 0.366 -6.873 511 HB1 ALA 73 1HB ALA 73 -0.328 -0.523 -6.450 512 HB2 ALA 73 2HB ALA 73 0.809 -1.269 -7.574 513 HB3 ALA 73 3HB ALA 73 0.604 -1.936 -5.954 514 H LYS 74 H LYS 74 0.538 2.021 -6.671 515 HA LYS 74 HA LYS 74 0.003 2.796 -3.880 516 HB2 LYS 74 1HB LYS 74 0.465 5.085 -4.382 517 HB3 LYS 74 2HB LYS 74 1.832 4.141 -4.958 518 HG2 LYS 74 1HG LYS 74 1.027 4.293 -7.231 519 HG3 LYS 74 2HG LYS 74 -0.421 5.144 -6.687 520 HD2 LYS 74 1HD LYS 74 0.863 7.034 -5.993 521 HD3 LYS 74 2HD LYS 74 2.380 6.166 -6.244 522 HE2 LYS 74 1HE LYS 74 2.028 7.684 -8.078 523 HE3 LYS 74 2HE LYS 74 1.850 6.029 -8.658 524 HZ1 LYS 74 1HZ LYS 74 -0.621 6.387 -8.271 525 HZ2 LYS 74 2HZ LYS 74 0.073 7.183 -9.592 526 HZ3 LYS 74 3HZ LYS 74 -0.262 8.038 -8.172 527 H ILE 75 H ILE 75 -1.943 3.870 -3.476 528 HA ILE 75 HA ILE 75 -3.833 4.060 -5.716 529 HB ILE 75 HB ILE 75 -4.470 2.786 -3.052 530 HG12 ILE 75 1HG1 ILE 75 -4.656 1.419 -5.716 531 HG13 ILE 75 2HG1 ILE 75 -3.108 1.509 -4.884 532 HG21 ILE 75 1HG2 ILE 75 -6.177 4.197 -4.628 533 HG22 ILE 75 2HG2 ILE 75 -6.381 2.565 -5.264 534 HG23 ILE 75 3HG2 ILE 75 -6.656 2.885 -3.552 535 HD11 ILE 75 1HD1 ILE 75 -5.485 0.506 -3.405 536 HD12 ILE 75 2HD1 ILE 75 -4.676 -0.547 -4.566 537 HD13 ILE 75 3HD1 ILE 75 -3.778 0.114 -3.200 538 H ASP 76 H ASP 76 -5.167 5.790 -5.657 539 HA ASP 76 HA ASP 76 -4.684 7.763 -3.581 540 HB2 ASP 76 1HB ASP 76 -6.296 9.118 -5.117 541 HB3 ASP 76 2HB ASP 76 -4.659 8.781 -5.672 542 H ALA 77 H ALA 77 -5.750 6.633 -1.857 543 HA ALA 77 HA ALA 77 -8.212 5.594 -1.636 544 HB1 ALA 77 1HB ALA 77 -6.374 6.507 0.160 545 HB2 ALA 77 2HB ALA 77 -7.752 7.559 0.483 546 HB3 ALA 77 3HB ALA 77 -7.939 5.808 0.577 547 H THR 78 H THR 78 -7.567 9.095 -1.485 548 HA THR 78 HA THR 78 -10.028 10.134 -1.074 549 HB THR 78 HB THR 78 -9.413 12.065 -2.456 550 HG1 THR 78 1HG THR 78 -8.222 11.679 -4.154 551 HG21 THR 78 1HG2 THR 78 -7.264 12.603 -1.368 552 HG22 THR 78 2HG2 THR 78 -7.102 10.914 -0.887 553 HG23 THR 78 3HG2 THR 78 -8.421 11.892 -0.244 554 H SER 79 H SER 79 -8.821 8.883 -4.161 555 HA SER 79 HA SER 79 -11.296 9.457 -5.525 556 HB2 SER 79 1HB SER 79 -8.749 8.057 -6.322 557 HB3 SER 79 2HB SER 79 -10.162 8.079 -7.376 558 HG SER 79 HG SER 79 -9.685 10.049 -7.899 559 H ALA 80 H ALA 80 -9.710 6.656 -4.108 560 HA ALA 80 HA ALA 80 -11.900 4.911 -4.937 561 HB1 ALA 80 1HB ALA 80 -10.194 3.408 -3.365 562 HB2 ALA 80 2HB ALA 80 -10.196 3.489 -5.127 563 HB3 ALA 80 3HB ALA 80 -9.122 4.534 -4.198 564 H SER 81 H SER 81 -13.629 5.524 -3.678 565 HA SER 81 HA SER 81 -13.428 5.950 -0.863 566 HB2 SER 81 1HB SER 81 -15.187 7.023 -2.201 567 HB3 SER 81 2HB SER 81 -15.869 5.442 -2.582 568 HG SER 81 HG SER 81 -16.531 6.914 -0.581 569 H MET 82 H MET 82 -14.830 3.330 -2.828 570 HA MET 82 HA MET 82 -15.657 1.653 -0.798 571 HB2 MET 82 1HB MET 82 -16.180 1.225 -3.135 572 HB3 MET 82 2HB MET 82 -14.485 0.910 -3.484 573 HG2 MET 82 1HG MET 82 -14.656 -0.977 -1.785 574 HG3 MET 82 2HG MET 82 -16.401 -0.752 -1.889 575 HE1 MET 82 1HE MET 82 -13.995 -0.361 -5.184 576 HE2 MET 82 2HE MET 82 -13.183 -1.170 -3.843 577 HE3 MET 82 3HE MET 82 -13.623 -2.082 -5.288 578 H LEU 83 H LEU 83 -12.588 1.271 -2.584 579 HA LEU 83 HA LEU 83 -11.434 -0.623 -0.940 580 HB2 LEU 83 1HB LEU 83 -10.113 1.592 -2.498 581 HB3 LEU 83 2HB LEU 83 -9.252 0.232 -1.779 582 HG LEU 83 HG LEU 83 -11.375 -0.031 -3.906 583 HD11 LEU 83 1HD1 LEU 83 -9.041 -0.773 -5.073 584 HD12 LEU 83 2HD1 LEU 83 -8.510 0.573 -4.065 585 HD13 LEU 83 3HD1 LEU 83 -9.792 0.813 -5.251 586 HD21 LEU 83 1HD2 LEU 83 -11.284 -2.205 -3.485 587 HD22 LEU 83 2HD2 LEU 83 -10.173 -1.901 -2.149 588 HD23 LEU 83 3HD2 LEU 83 -9.544 -2.201 -3.769 589 H ALA 84 H ALA 84 -11.212 2.913 -0.701 590 HA ALA 84 HA ALA 84 -9.440 3.198 1.368 591 HB1 ALA 84 1HB ALA 84 -10.342 5.111 0.225 592 HB2 ALA 84 2HB ALA 84 -11.956 4.778 0.855 593 HB3 ALA 84 3HB ALA 84 -10.666 5.273 1.951 594 H SER 85 H SER 85 -12.950 2.675 1.658 595 HA SER 85 HA SER 85 -12.990 2.620 4.482 596 HB2 SER 85 1HB SER 85 -14.967 2.925 2.883 597 HB3 SER 85 2HB SER 85 -14.958 1.170 2.713 598 HG SER 85 HG SER 85 -15.094 2.481 5.221 599 H LYS 86 H LYS 86 -12.532 0.130 2.043 600 HA LYS 86 HA LYS 86 -12.857 -2.178 3.491 601 HB2 LYS 86 1HB LYS 86 -12.072 -1.729 1.008 602 HB3 LYS 86 2HB LYS 86 -10.473 -1.964 1.701 603 HG2 LYS 86 1HG LYS 86 -11.081 -4.172 2.459 604 HG3 LYS 86 2HG LYS 86 -12.738 -3.939 1.897 605 HD2 LYS 86 1HD LYS 86 -12.098 -3.993 -0.358 606 HD3 LYS 86 2HD LYS 86 -10.398 -3.716 0.027 607 HE2 LYS 86 1HE LYS 86 -10.575 -5.998 -0.559 608 HE3 LYS 86 2HE LYS 86 -10.431 -5.955 1.198 609 HZ1 LYS 86 1HZ LYS 86 -13.152 -5.828 0.421 610 HZ2 LYS 86 2HZ LYS 86 -12.375 -6.970 1.396 611 HZ3 LYS 86 3HZ LYS 86 -12.413 -7.178 -0.282 612 H PHE 87 H PHE 87 -9.792 -0.383 3.142 613 HA PHE 87 HA PHE 87 -8.680 -1.862 5.396 614 HB2 PHE 87 1HB PHE 87 -7.365 0.215 3.632 615 HB3 PHE 87 2HB PHE 87 -6.556 -0.840 4.786 616 HD1 PHE 87 2HD PHE 87 -8.659 -0.942 1.721 617 HD2 PHE 87 1HD PHE 87 -5.686 -2.863 4.084 618 HE1 PHE 87 2HE PHE 87 -8.351 -2.628 -0.044 619 HE2 PHE 87 1HE PHE 87 -5.372 -4.552 2.322 620 HZ PHE 87 HZ PHE 87 -6.706 -4.436 0.255 621 H ASP 88 H ASP 88 -10.829 0.086 5.788 622 HA ASP 88 HA ASP 88 -11.327 2.025 6.945 623 HB2 ASP 88 1HB ASP 88 -10.922 0.130 8.602 624 HB3 ASP 88 2HB ASP 88 -9.350 0.866 8.906 625 H VAL 89 H VAL 89 -9.494 2.738 5.067 626 HA VAL 89 HA VAL 89 -7.185 3.999 6.176 627 HB VAL 89 HB VAL 89 -8.530 4.465 3.511 628 HG11 VAL 89 1HG1 VAL 89 -6.464 5.901 4.796 629 HG12 VAL 89 2HG1 VAL 89 -5.723 4.967 3.496 630 HG13 VAL 89 3HG1 VAL 89 -7.048 6.076 3.142 631 HG21 VAL 89 1HG2 VAL 89 -7.836 2.364 3.135 632 HG22 VAL 89 2HG2 VAL 89 -6.233 3.089 3.010 633 HG23 VAL 89 3HG2 VAL 89 -6.757 2.366 4.530 634 H SER 90 H SER 90 -7.447 5.594 7.614 635 HA SER 90 HA SER 90 -9.198 7.837 6.858 636 HB2 SER 90 1HB SER 90 -8.933 6.455 9.515 637 HB3 SER 90 2HB SER 90 -9.445 8.140 9.426 638 HG SER 90 HG SER 90 -10.986 7.147 7.743 639 H GLY 91 H GLY 91 -6.492 7.699 6.206 640 HA2 GLY 91 1HA GLY 91 -5.542 10.153 7.170 641 HA3 GLY 91 2HA GLY 91 -4.765 8.875 8.093 642 H TYR 92 H TYR 92 -3.138 10.459 6.704 643 HA TYR 92 HA TYR 92 -1.915 8.643 4.855 644 HB2 TYR 92 1HB TYR 92 -2.591 11.318 3.671 645 HB3 TYR 92 2HB TYR 92 -2.102 9.837 2.855 646 HD1 TYR 92 2HD TYR 92 -4.904 11.560 4.518 647 HD2 TYR 92 1HD TYR 92 -3.710 8.189 2.213 648 HE1 TYR 92 2HE TYR 92 -7.266 11.026 4.087 649 HE2 TYR 92 1HE TYR 92 -6.069 7.647 1.774 650 HH TYR 92 HH TYR 92 -8.313 9.102 1.723 651 HA PRO 93 HA PRO 93 -0.259 8.755 3.334 652 HB2 PRO 93 1HB PRO 93 2.152 7.604 3.816 653 HB3 PRO 93 2HB PRO 93 1.967 9.084 2.869 654 HG2 PRO 93 1HG PRO 93 2.751 8.758 5.739 655 HG3 PRO 93 2HG PRO 93 3.438 9.833 4.507 656 HD2 PRO 93 1HD PRO 93 1.681 10.697 6.378 657 HD3 PRO 93 2HD PRO 93 1.753 11.389 4.745 658 H THR 94 H THR 94 -0.457 6.465 3.339 659 HA THR 94 HA THR 94 -0.350 5.104 5.919 660 HB THR 94 HB THR 94 -2.862 5.253 4.243 661 HG1 THR 94 1HG THR 94 -2.746 7.001 5.615 662 HG21 THR 94 1HG2 THR 94 -3.736 3.873 6.266 663 HG22 THR 94 2HG2 THR 94 -2.041 3.433 6.475 664 HG23 THR 94 3HG2 THR 94 -2.873 3.048 4.969 665 H ILE 95 H ILE 95 0.758 3.300 5.593 666 HA ILE 95 HA ILE 95 0.636 2.013 2.953 667 HB ILE 95 HB ILE 95 2.695 1.685 5.139 668 HG12 ILE 95 1HG1 ILE 95 3.274 2.864 2.455 669 HG13 ILE 95 2HG1 ILE 95 2.486 3.873 3.663 670 HG21 ILE 95 1HG2 ILE 95 3.962 0.408 3.494 671 HG22 ILE 95 2HG2 ILE 95 2.399 -0.343 3.806 672 HG23 ILE 95 3HG2 ILE 95 2.650 0.589 2.330 673 HD11 ILE 95 1HD1 ILE 95 4.428 3.076 5.194 674 HD12 ILE 95 2HD1 ILE 95 5.224 2.706 3.664 675 HD13 ILE 95 3HD1 ILE 95 4.699 4.354 4.009 676 H LYS 96 H LYS 96 0.196 -0.162 2.739 677 HA LYS 96 HA LYS 96 -0.403 -1.723 5.130 678 HB2 LYS 96 1HB LYS 96 -2.413 -1.256 2.919 679 HB3 LYS 96 2HB LYS 96 -2.605 -2.409 4.233 680 HG2 LYS 96 1HG LYS 96 -2.085 0.425 4.940 681 HG3 LYS 96 2HG LYS 96 -3.679 0.001 4.314 682 HD2 LYS 96 1HD LYS 96 -3.722 -1.839 6.055 683 HD3 LYS 96 2HD LYS 96 -2.296 -1.076 6.762 684 HE2 LYS 96 1HE LYS 96 -4.701 0.594 6.203 685 HE3 LYS 96 2HE LYS 96 -4.718 -0.480 7.601 686 HZ1 LYS 96 1HZ LYS 96 -2.389 1.253 7.221 687 HZ2 LYS 96 2HZ LYS 96 -3.107 0.709 8.653 688 HZ3 LYS 96 3HZ LYS 96 -3.822 1.963 7.772 689 H ILE 97 H ILE 97 -0.996 -4.030 4.494 690 HA ILE 97 HA ILE 97 0.407 -4.826 2.032 691 HB ILE 97 HB ILE 97 0.687 -6.143 4.735 692 HG12 ILE 97 1HG1 ILE 97 2.968 -5.092 3.113 693 HG13 ILE 97 2HG1 ILE 97 1.986 -3.953 4.028 694 HG21 ILE 97 1HG2 ILE 97 1.554 -6.971 1.989 695 HG22 ILE 97 2HG2 ILE 97 2.424 -7.513 3.423 696 HG23 ILE 97 3HG2 ILE 97 0.719 -7.915 3.223 697 HD11 ILE 97 1HD1 ILE 97 3.808 -6.091 4.996 698 HD12 ILE 97 2HD1 ILE 97 3.638 -4.420 5.532 699 HD13 ILE 97 3HD1 ILE 97 2.431 -5.620 5.991 700 H LEU 98 H LEU 98 -0.605 -6.319 0.827 701 HA LEU 98 HA LEU 98 -3.108 -7.433 1.881 702 HB2 LEU 98 1HB LEU 98 -2.972 -6.026 -0.267 703 HB3 LEU 98 2HB LEU 98 -2.260 -7.464 -0.995 704 HG LEU 98 HG LEU 98 -4.356 -8.699 -0.310 705 HD11 LEU 98 1HD1 LEU 98 -5.961 -7.697 0.849 706 HD12 LEU 98 2HD1 LEU 98 -6.003 -6.336 -0.270 707 HD13 LEU 98 3HD1 LEU 98 -4.865 -6.334 1.077 708 HD21 LEU 98 1HD2 LEU 98 -5.568 -7.994 -2.236 709 HD22 LEU 98 2HD2 LEU 98 -3.851 -7.835 -2.606 710 HD23 LEU 98 3HD2 LEU 98 -4.805 -6.404 -2.210 711 H LYS 99 H LYS 99 -2.768 -9.367 2.782 712 HA LYS 99 HA LYS 99 -0.998 -11.270 1.405 713 HB2 LYS 99 1HB LYS 99 -0.853 -10.538 3.973 714 HB3 LYS 99 2HB LYS 99 -2.029 -11.835 4.138 715 HG2 LYS 99 1HG LYS 99 0.195 -12.678 4.528 716 HG3 LYS 99 2HG LYS 99 -0.459 -13.376 3.045 717 HD2 LYS 99 1HD LYS 99 0.862 -11.929 1.689 718 HD3 LYS 99 2HD LYS 99 1.346 -10.964 3.086 719 HE2 LYS 99 1HE LYS 99 3.209 -12.266 2.836 720 HE3 LYS 99 2HE LYS 99 2.275 -13.276 3.937 721 HZ1 LYS 99 1HZ LYS 99 3.332 -14.183 1.688 722 HZ2 LYS 99 2HZ LYS 99 1.823 -13.702 1.095 723 HZ3 LYS 99 3HZ LYS 99 1.917 -14.825 2.357 724 H LYS 100 H LYS 100 -2.024 -12.660 0.138 725 HA LYS 100 HA LYS 100 -3.644 -14.002 -0.744 726 HB2 LYS 100 1HB LYS 100 -4.096 -14.615 2.182 727 HB3 LYS 100 2HB LYS 100 -4.656 -15.599 0.836 728 HG2 LYS 100 1HG LYS 100 -2.159 -15.701 0.179 729 HG3 LYS 100 2HG LYS 100 -1.873 -15.187 1.844 730 HD2 LYS 100 1HD LYS 100 -1.796 -17.515 1.967 731 HD3 LYS 100 2HD LYS 100 -3.438 -17.128 2.487 732 HE2 LYS 100 1HE LYS 100 -4.113 -17.479 0.055 733 HE3 LYS 100 2HE LYS 100 -2.521 -18.204 -0.166 734 HZ1 LYS 100 1HZ LYS 100 -4.536 -19.689 0.428 735 HZ2 LYS 100 2HZ LYS 100 -4.261 -19.152 2.008 736 HZ3 LYS 100 3HZ LYS 100 -3.045 -19.979 1.173 737 H GLY 101 H GLY 101 -4.397 -11.221 0.058 738 HA2 GLY 101 1HA GLY 101 -6.409 -10.126 -0.518 739 HA3 GLY 101 2HA GLY 101 -7.285 -11.614 -0.188 740 H GLN 102 H GLN 102 -4.971 -10.655 2.155 741 HA GLN 102 HA GLN 102 -7.155 -9.744 3.907 742 HB2 GLN 102 1HB GLN 102 -6.264 -10.901 5.661 743 HB3 GLN 102 2HB GLN 102 -5.689 -11.919 4.347 744 HG2 GLN 102 1HG GLN 102 -3.556 -10.601 4.390 745 HG3 GLN 102 2HG GLN 102 -4.146 -9.834 5.864 746 HE21 GLN 102 1HE2 GLN 102 -3.626 -13.043 4.453 747 HE22 GLN 102 2HE2 GLN 102 -3.097 -13.792 5.917 748 H ALA 103 H ALA 103 -6.951 -7.860 5.016 749 HA ALA 103 HA ALA 103 -4.824 -6.076 4.173 750 HB1 ALA 103 1HB ALA 103 -6.174 -4.416 5.583 751 HB2 ALA 103 2HB ALA 103 -6.918 -5.045 4.113 752 HB3 ALA 103 3HB ALA 103 -7.386 -5.693 5.685 753 H VAL 104 H VAL 104 -3.004 -5.843 5.279 754 HA VAL 104 HA VAL 104 -3.008 -6.480 8.156 755 HB VAL 104 HB VAL 104 -0.740 -6.619 6.166 756 HG11 VAL 104 1HG1 VAL 104 0.309 -7.768 8.311 757 HG12 VAL 104 2HG1 VAL 104 0.432 -6.030 8.031 758 HG13 VAL 104 3HG1 VAL 104 -0.790 -6.663 9.134 759 HG21 VAL 104 1HG2 VAL 104 -0.789 -9.054 6.966 760 HG22 VAL 104 2HG2 VAL 104 -2.398 -8.681 7.583 761 HG23 VAL 104 3HG2 VAL 104 -2.057 -8.528 5.860 762 H ASP 105 H ASP 105 -2.952 -4.742 9.407 763 HA ASP 105 HA ASP 105 -2.299 -2.149 8.489 764 HB2 ASP 105 1HB ASP 105 -2.564 -3.231 11.302 765 HB3 ASP 105 2HB ASP 105 -2.420 -1.522 10.901 766 H TYR 106 H TYR 106 -0.354 -1.373 8.055 767 HA TYR 106 HA TYR 106 2.016 -2.660 9.122 768 HB2 TYR 106 1HB TYR 106 2.254 -2.147 6.849 769 HB3 TYR 106 2HB TYR 106 1.517 -0.559 7.032 770 HD1 TYR 106 2HD TYR 106 4.594 -2.512 7.415 771 HD2 TYR 106 1HD TYR 106 2.817 1.333 7.816 772 HE1 TYR 106 2HE TYR 106 6.830 -1.504 7.598 773 HE2 TYR 106 1HE TYR 106 5.048 2.352 7.999 774 HH TYR 106 HH TYR 106 7.893 0.480 8.431 775 H ASP 107 H ASP 107 2.889 -2.056 10.977 776 HA ASP 107 HA ASP 107 2.499 0.716 11.890 777 HB2 ASP 107 1HB ASP 107 2.945 -1.838 13.438 778 HB3 ASP 107 2HB ASP 107 3.036 -0.240 14.173 779 H GLY 108 H GLY 108 4.277 1.580 10.777 780 HA2 GLY 108 1HA GLY 108 6.862 0.901 12.010 781 HA3 GLY 108 2HA GLY 108 6.736 0.986 10.260 782 H SER 109 H SER 109 8.467 2.609 10.582 783 HA SER 109 HA SER 109 7.455 5.211 11.489 784 HB2 SER 109 1HB SER 109 9.577 4.449 12.488 785 HB3 SER 109 2HB SER 109 10.295 4.350 10.881 786 HG SER 109 HG SER 109 10.440 6.474 10.794 787 H ARG 110 H ARG 110 7.307 3.593 8.768 788 HA ARG 110 HA ARG 110 7.052 4.144 6.576 789 HB2 ARG 110 1HB ARG 110 5.899 6.149 7.709 790 HB3 ARG 110 2HB ARG 110 7.366 7.040 7.326 791 HG2 ARG 110 1HG ARG 110 6.999 6.908 5.036 792 HG3 ARG 110 2HG ARG 110 5.878 5.555 5.198 793 HD2 ARG 110 1HD ARG 110 5.376 8.389 6.100 794 HD3 ARG 110 2HD ARG 110 4.709 7.634 4.653 795 HE ARG 110 HE ARG 110 3.255 6.397 5.987 796 HH11 ARG 110 2HH1 ARG 110 5.431 8.310 7.917 797 HH12 ARG 110 1HH1 ARG 110 4.519 8.111 9.377 798 HH21 ARG 110 2HH2 ARG 110 2.046 6.128 7.902 799 HH22 ARG 110 1HH2 ARG 110 2.594 6.869 9.367 800 H THR 111 H THR 111 9.485 3.284 7.086 801 HA THR 111 HA THR 111 11.238 5.102 5.568 802 HB THR 111 HB THR 111 13.110 3.796 6.902 803 HG1 THR 111 1HG THR 111 11.724 2.489 8.118 804 HG21 THR 111 1HG2 THR 111 11.505 6.082 8.052 805 HG22 THR 111 2HG2 THR 111 12.858 6.210 6.928 806 HG23 THR 111 3HG2 THR 111 13.127 5.622 8.568 807 H GLN 112 H GLN 112 12.724 4.124 4.150 808 HA GLN 112 HA GLN 112 11.824 1.945 2.703 809 HB2 GLN 112 1HB GLN 112 13.437 3.571 1.832 810 HB3 GLN 112 2HB GLN 112 14.660 2.964 2.940 811 HG2 GLN 112 1HG GLN 112 14.726 0.856 1.816 812 HG3 GLN 112 2HG GLN 112 13.349 1.298 0.808 813 HE21 GLN 112 1HE2 GLN 112 13.819 3.615 -0.230 814 HE22 GLN 112 2HE2 GLN 112 15.313 3.681 -1.094 815 H GLU 113 H GLU 113 13.902 2.046 5.512 816 HA GLU 113 HA GLU 113 14.849 -0.630 5.320 817 HB2 GLU 113 1HB GLU 113 14.668 1.259 7.671 818 HB3 GLU 113 2HB GLU 113 15.467 -0.306 7.726 819 HG2 GLU 113 1HG GLU 113 17.014 0.435 5.974 820 HG3 GLU 113 2HG GLU 113 16.229 2.013 5.965 821 H GLU 114 H GLU 114 12.483 0.835 7.557 822 HA GLU 114 HA GLU 114 11.548 -1.604 8.592 823 HB2 GLU 114 1HB GLU 114 10.243 1.115 8.446 824 HB3 GLU 114 2HB GLU 114 9.563 -0.244 9.331 825 HG2 GLU 114 1HG GLU 114 11.828 -0.309 10.547 826 HG3 GLU 114 2HG GLU 114 12.049 1.316 9.901 827 H ILE 115 H ILE 115 9.876 0.593 6.329 828 HA ILE 115 HA ILE 115 7.716 -0.895 5.654 829 HB ILE 115 HB ILE 115 9.421 0.658 3.703 830 HG12 ILE 115 1HG1 ILE 115 6.948 1.578 5.169 831 HG13 ILE 115 2HG1 ILE 115 8.574 1.858 5.779 832 HG21 ILE 115 1HG2 ILE 115 7.746 0.543 2.157 833 HG22 ILE 115 2HG2 ILE 115 7.537 -1.026 2.933 834 HG23 ILE 115 3HG2 ILE 115 6.488 0.321 3.373 835 HD11 ILE 115 1HD1 ILE 115 7.841 3.824 4.656 836 HD12 ILE 115 2HD1 ILE 115 9.081 3.060 3.661 837 HD13 ILE 115 3HD1 ILE 115 7.380 2.900 3.226 838 H VAL 116 H VAL 116 10.960 -1.237 4.251 839 HA VAL 116 HA VAL 116 10.224 -3.388 2.522 840 HB VAL 116 HB VAL 116 12.917 -2.378 3.432 841 HG11 VAL 116 1HG1 VAL 116 13.584 -4.473 2.880 842 HG12 VAL 116 2HG1 VAL 116 12.179 -4.770 1.855 843 HG13 VAL 116 3HG1 VAL 116 13.523 -3.799 1.252 844 HG21 VAL 116 1HG2 VAL 116 13.004 -1.166 1.489 845 HG22 VAL 116 2HG2 VAL 116 11.909 -2.251 0.633 846 HG23 VAL 116 3HG2 VAL 116 11.271 -1.109 1.816 847 H ALA 117 H ALA 117 11.361 -3.138 5.803 848 HA ALA 117 HA ALA 117 12.235 -5.821 6.110 849 HB1 ALA 117 1HB ALA 117 11.264 -3.904 8.227 850 HB2 ALA 117 2HB ALA 117 12.215 -5.366 8.492 851 HB3 ALA 117 3HB ALA 117 12.917 -4.004 7.619 852 H LYS 118 H LYS 118 9.184 -4.174 6.896 853 HA LYS 118 HA LYS 118 7.891 -6.451 7.961 854 HB2 LYS 118 1HB LYS 118 7.205 -4.043 8.282 855 HB3 LYS 118 2HB LYS 118 6.560 -4.080 6.646 856 HG2 LYS 118 1HG LYS 118 4.712 -4.468 8.006 857 HG3 LYS 118 2HG LYS 118 5.168 -6.073 7.431 858 HD2 LYS 118 1HD LYS 118 6.400 -5.162 9.964 859 HD3 LYS 118 2HD LYS 118 4.675 -5.532 10.006 860 HE2 LYS 118 1HE LYS 118 5.454 -7.695 8.721 861 HE3 LYS 118 2HE LYS 118 6.998 -7.324 9.487 862 HZ1 LYS 118 1HZ LYS 118 5.895 -7.349 11.637 863 HZ2 LYS 118 2HZ LYS 118 5.680 -8.826 10.840 864 HZ3 LYS 118 3HZ LYS 118 4.414 -7.706 10.901 865 H VAL 119 H VAL 119 7.327 -4.821 4.834 866 HA VAL 119 HA VAL 119 5.631 -6.544 3.626 867 HB VAL 119 HB VAL 119 8.001 -5.139 2.401 868 HG11 VAL 119 1HG1 VAL 119 7.016 -5.558 0.220 869 HG12 VAL 119 2HG1 VAL 119 7.389 -7.083 1.027 870 HG13 VAL 119 3HG1 VAL 119 5.724 -6.500 0.963 871 HG21 VAL 119 1HG2 VAL 119 6.644 -3.403 2.846 872 HG22 VAL 119 2HG2 VAL 119 5.754 -3.962 1.429 873 HG23 VAL 119 3HG2 VAL 119 5.225 -4.432 3.045 874 H ARG 120 H ARG 120 9.173 -6.839 3.279 875 HA ARG 120 HA ARG 120 9.142 -9.347 2.042 876 HB2 ARG 120 1HB ARG 120 11.458 -9.363 2.297 877 HB3 ARG 120 2HB ARG 120 11.074 -7.647 2.313 878 HG2 ARG 120 1HG ARG 120 11.056 -7.829 4.846 879 HG3 ARG 120 2HG ARG 120 11.803 -9.412 4.625 880 HD2 ARG 120 1HD ARG 120 12.935 -6.939 3.355 881 HD3 ARG 120 2HD ARG 120 13.344 -7.401 5.007 882 HE ARG 120 HE ARG 120 13.781 -9.634 3.434 883 HH11 ARG 120 2HH1 ARG 120 14.998 -6.380 3.667 884 HH12 ARG 120 1HH1 ARG 120 16.574 -6.788 3.073 885 HH21 ARG 120 2HH2 ARG 120 15.852 -10.183 2.652 886 HH22 ARG 120 1HH2 ARG 120 17.058 -8.951 2.495 887 H GLU 121 H GLU 121 9.081 -8.438 5.428 888 HA GLU 121 HA GLU 121 9.656 -10.992 6.502 889 HB2 GLU 121 1HB GLU 121 9.904 -9.148 7.960 890 HB3 GLU 121 2HB GLU 121 8.288 -8.550 7.610 891 HG2 GLU 121 1HG GLU 121 7.283 -10.004 9.039 892 HG3 GLU 121 2HG GLU 121 8.528 -11.236 8.840 893 H VAL 122 H VAL 122 6.665 -9.397 5.543 894 HA VAL 122 HA VAL 122 4.944 -11.431 6.582 895 HB VAL 122 HB VAL 122 4.353 -9.342 4.480 896 HG11 VAL 122 1HG1 VAL 122 2.842 -11.466 4.896 897 HG12 VAL 122 2HG1 VAL 122 2.282 -10.508 6.268 898 HG13 VAL 122 3HG1 VAL 122 2.135 -9.874 4.629 899 HG21 VAL 122 1HG2 VAL 122 5.170 -8.568 6.783 900 HG22 VAL 122 2HG2 VAL 122 3.657 -7.892 6.180 901 HG23 VAL 122 3HG2 VAL 122 3.629 -9.176 7.388 902 H SER 123 H SER 123 6.347 -10.713 3.422 903 HA SER 123 HA SER 123 4.941 -12.479 1.829 904 HB2 SER 123 1HB SER 123 6.615 -12.199 0.240 905 HB3 SER 123 2HB SER 123 6.848 -10.775 1.254 906 HG SER 123 HG SER 123 8.548 -11.819 2.277 907 H GLN 124 H GLN 124 7.542 -13.115 4.089 908 HA GLN 124 HA GLN 124 8.339 -15.645 3.336 909 HB2 GLN 124 1HB GLN 124 7.957 -14.645 6.163 910 HB3 GLN 124 2HB GLN 124 8.961 -16.005 5.678 911 HG2 GLN 124 1HG GLN 124 9.382 -13.107 4.990 912 HG3 GLN 124 2HG GLN 124 10.350 -14.097 6.081 913 HE21 GLN 124 1HE2 GLN 124 9.960 -12.995 2.929 914 HE22 GLN 124 2HE2 GLN 124 11.134 -14.003 2.161 915 HA PRO 125 HA PRO 125 4.809 -18.228 3.842 916 HB2 PRO 125 1HB PRO 125 6.073 -20.617 4.095 917 HB3 PRO 125 2HB PRO 125 5.938 -19.761 2.555 918 HG2 PRO 125 1HG PRO 125 8.239 -19.868 4.466 919 HG3 PRO 125 2HG PRO 125 8.249 -19.976 2.696 920 HD2 PRO 125 1HD PRO 125 8.869 -17.697 4.020 921 HD3 PRO 125 2HD PRO 125 8.079 -17.693 2.430 922 H ASP 126 H ASP 126 7.406 -18.202 6.184 923 HA ASP 126 HA ASP 126 5.969 -19.741 8.149 924 HB2 ASP 126 1HB ASP 126 8.594 -18.322 8.044 925 HB3 ASP 126 2HB ASP 126 7.902 -18.686 9.623 926 H TRP 127 H TRP 127 6.619 -16.335 7.522 927 HA TRP 127 HA TRP 127 5.808 -15.134 9.838 928 HB2 TRP 127 1HB TRP 127 6.632 -13.854 7.943 929 HB3 TRP 127 2HB TRP 127 5.198 -14.263 7.006 930 HD1 TRP 127 HD TRP 127 6.449 -11.871 9.664 931 HE1 TRP 127 1HE TRP 127 4.636 -10.105 10.133 932 HE3 TRP 127 3HE TRP 127 2.589 -13.953 7.036 933 HZ2 TRP 127 2HZ TRP 127 1.928 -9.655 9.477 934 HZ3 TRP 127 3HZ TRP 127 0.420 -12.791 7.008 935 HH2 TRP 127 HH TRP 127 0.098 -10.687 8.204 936 H THR 128 H THR 128 3.769 -14.092 10.432 937 HA THR 128 HA THR 128 1.336 -15.216 9.317 938 HB THR 128 HB THR 128 0.516 -15.921 11.589 939 HG1 THR 128 1HG THR 128 3.220 -16.121 12.363 940 HG21 THR 128 1HG2 THR 128 2.864 -17.382 10.379 941 HG22 THR 128 2HG2 THR 128 1.156 -17.616 10.011 942 HG23 THR 128 3HG2 THR 128 1.788 -18.073 11.592 943 HA PRO 129 HA PRO 129 -0.221 -11.242 10.378 944 HB2 PRO 129 1HB PRO 129 -2.877 -11.795 10.463 945 HB3 PRO 129 2HB PRO 129 -1.964 -11.701 8.953 946 HG2 PRO 129 1HG PRO 129 -2.784 -14.114 10.523 947 HG3 PRO 129 2HG PRO 129 -2.829 -13.851 8.770 948 HD2 PRO 129 1HD PRO 129 -0.866 -15.270 9.982 949 HD3 PRO 129 2HD PRO 129 -0.583 -14.304 8.519 950 HA PRO 130 HA PRO 130 -0.454 -11.588 14.838 951 HB2 PRO 130 1HB PRO 130 -0.338 -8.918 15.310 952 HB3 PRO 130 2HB PRO 130 1.085 -9.884 14.906 953 HG2 PRO 130 1HG PRO 130 -0.580 -8.133 13.138 954 HG3 PRO 130 2HG PRO 130 1.185 -8.289 13.216 955 HD2 PRO 130 1HD PRO 130 -0.303 -9.508 11.310 956 HD3 PRO 130 2HD PRO 130 1.196 -10.213 11.947 957 HA PRO 131 HA PRO 131 -4.707 -10.873 15.721 958 HB2 PRO 131 1HB PRO 131 -4.596 -10.418 18.395 959 HB3 PRO 131 2HB PRO 131 -4.361 -12.018 17.683 960 HG2 PRO 131 1HG PRO 131 -2.316 -10.046 18.626 961 HG3 PRO 131 2HG PRO 131 -2.368 -11.803 18.862 962 HD2 PRO 131 1HD PRO 131 -0.814 -10.631 16.980 963 HD3 PRO 131 2HD PRO 131 -1.538 -12.236 16.756 964 H GLU 132 H GLU 132 -5.359 -8.997 14.742 965 HA GLU 132 HA GLU 132 -4.583 -6.422 15.821 966 HB2 GLU 132 1HB GLU 132 -6.344 -7.226 13.506 967 HB3 GLU 132 2HB GLU 132 -6.086 -5.553 13.982 968 HG2 GLU 132 1HG GLU 132 -3.864 -5.573 13.334 969 HG3 GLU 132 2HG GLU 132 -3.759 -7.332 13.392 970 H VAL 133 H VAL 133 -5.518 -6.168 17.805 971 HA VAL 133 HA VAL 133 -8.432 -6.477 18.005 972 HB VAL 133 HB VAL 133 -6.381 -6.134 20.198 973 HG11 VAL 133 1HG1 VAL 133 -9.008 -5.443 20.330 974 HG12 VAL 133 2HG1 VAL 133 -9.059 -7.124 20.866 975 HG13 VAL 133 3HG1 VAL 133 -8.034 -5.960 21.706 976 HG21 VAL 133 1HG2 VAL 133 -7.665 -8.503 18.935 977 HG22 VAL 133 2HG2 VAL 133 -6.018 -8.294 19.532 978 HG23 VAL 133 3HG2 VAL 133 -7.343 -8.545 20.669 979 H THR 134 H THR 134 -9.668 -4.732 17.896 980 HA THR 134 HA THR 134 -8.504 -2.129 18.646 981 HB THR 134 HB THR 134 -8.887 -2.359 16.188 982 HG1 THR 134 1HG THR 134 -9.125 -0.324 17.482 983 HG21 THR 134 1HG2 THR 134 -11.818 -2.342 16.903 984 HG22 THR 134 2HG2 THR 134 -10.936 -3.792 16.425 985 HG23 THR 134 3HG2 THR 134 -11.103 -2.449 15.295 986 H SER 135 H SER 135 -9.743 -0.746 19.859 987 HA SER 135 HA SER 135 -12.016 -1.952 21.211 988 HB2 SER 135 1HB SER 135 -10.109 -0.693 22.379 989 HB3 SER 135 2HB SER 135 -10.863 0.779 21.768 990 HG SER 135 HG SER 135 -11.468 -0.232 23.970 991 H GLY 136 H GLY 136 -14.090 -1.431 20.887 992 HA2 GLY 136 1HA GLY 136 -15.947 -0.481 19.927 993 HA3 GLY 136 2HA GLY 136 -15.114 1.049 20.161 994 HA PRO 137 HA PRO 137 -14.116 -0.595 15.692 995 HB2 PRO 137 1HB PRO 137 -15.905 -2.394 14.726 996 HB3 PRO 137 2HB PRO 137 -14.429 -2.868 15.575 997 HG2 PRO 137 1HG PRO 137 -17.230 -2.667 16.613 998 HG3 PRO 137 2HG PRO 137 -16.018 -3.929 16.900 999 HD2 PRO 137 1HD PRO 137 -16.537 -1.972 18.698 1000 HD3 PRO 137 2HD PRO 137 -14.925 -2.690 18.507 1001 H SER 138 H SER 138 -15.236 -0.191 13.587 1002 HA SER 138 HA SER 138 -17.695 1.388 13.971 1003 HB2 SER 138 1HB SER 138 -15.393 2.595 13.482 1004 HB3 SER 138 2HB SER 138 -15.747 2.117 11.821 1005 HG SER 138 HG SER 138 -17.778 3.191 12.061 1006 H SER 139 H SER 139 -19.356 0.686 12.818 1007 HA SER 139 HA SER 139 -18.883 -1.198 10.638 1008 HB2 SER 139 1HB SER 139 -21.429 -0.414 12.076 1009 HB3 SER 139 2HB SER 139 -21.330 -1.623 10.796 1010 HG SER 139 HG SER 139 -20.632 -3.002 12.209 1011 H GLY 140 H GLY 140 -20.336 -1.027 8.701 1012 HA2 GLY 140 1HA GLY 140 -20.710 1.808 7.951 1013 HA3 GLY 140 2HA GLY 140 -20.025 0.624 6.848 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.949 -15.424 -10.475 2 HA2 GLY 1 1HA GLY 1 -13.409 -17.038 -10.731 3 HA3 GLY 1 2HA GLY 1 -13.474 -15.296 -10.507 4 H SER 2 H SER 2 -11.827 -17.637 -12.638 5 HA SER 2 HA SER 2 -11.792 -15.766 -14.819 6 HB2 SER 2 1HB SER 2 -10.756 -17.584 -16.091 7 HB3 SER 2 2HB SER 2 -9.989 -17.425 -14.511 8 HG SER 2 HG SER 2 -11.710 -19.116 -13.945 9 H SER 3 H SER 3 -13.187 -15.579 -16.469 10 HA SER 3 HA SER 3 -15.001 -17.680 -17.207 11 HB2 SER 3 1HB SER 3 -17.070 -16.560 -16.674 12 HB3 SER 3 2HB SER 3 -16.111 -16.663 -15.198 13 HG SER 3 HG SER 3 -16.253 -14.396 -16.902 14 H GLY 4 H GLY 4 -16.634 -16.772 -18.894 15 HA2 GLY 4 1HA GLY 4 -15.103 -15.593 -20.971 16 HA3 GLY 4 2HA GLY 4 -16.829 -15.919 -21.019 17 H SER 5 H SER 5 -14.462 -13.533 -20.898 18 HA SER 5 HA SER 5 -16.515 -11.490 -20.372 19 HB2 SER 5 1HB SER 5 -14.717 -11.877 -18.520 20 HB3 SER 5 2HB SER 5 -13.643 -11.022 -19.627 21 HG SER 5 HG SER 5 -15.158 -9.289 -19.600 22 H SER 6 H SER 6 -16.654 -9.907 -21.847 23 HA SER 6 HA SER 6 -15.012 -10.087 -24.212 24 HB2 SER 6 1HB SER 6 -17.475 -8.588 -23.429 25 HB3 SER 6 2HB SER 6 -16.523 -7.986 -24.786 26 HG SER 6 HG SER 6 -17.744 -9.404 -25.801 27 H GLY 7 H GLY 7 -13.707 -8.441 -25.071 28 HA2 GLY 7 1HA GLY 7 -12.288 -6.627 -25.034 29 HA3 GLY 7 2HA GLY 7 -13.242 -5.979 -23.707 30 H ASP 8 H ASP 8 -10.258 -7.128 -24.568 31 HA ASP 8 HA ASP 8 -9.595 -8.172 -21.922 32 HB2 ASP 8 1HB ASP 8 -8.584 -9.528 -23.509 33 HB3 ASP 8 2HB ASP 8 -8.239 -8.180 -24.590 34 H ASP 9 H ASP 9 -9.550 -5.253 -23.617 35 HA ASP 9 HA ASP 9 -7.341 -4.152 -22.043 36 HB2 ASP 9 1HB ASP 9 -7.942 -2.066 -23.496 37 HB3 ASP 9 2HB ASP 9 -7.088 -3.420 -24.231 38 H ASP 10 H ASP 10 -9.409 -4.821 -20.440 39 HA ASP 10 HA ASP 10 -10.925 -2.353 -19.965 40 HB2 ASP 10 1HB ASP 10 -12.380 -4.221 -20.036 41 HB3 ASP 10 2HB ASP 10 -11.304 -5.196 -19.040 42 H LEU 11 H LEU 11 -9.360 -4.854 -17.953 43 HA LEU 11 HA LEU 11 -8.975 -3.009 -15.789 44 HB2 LEU 11 1HB LEU 11 -7.508 -5.026 -14.977 45 HB3 LEU 11 2HB LEU 11 -9.268 -5.111 -14.960 46 HG LEU 11 HG LEU 11 -9.316 -6.534 -16.845 47 HD11 LEU 11 1HD1 LEU 11 -7.567 -6.934 -18.327 48 HD12 LEU 11 2HD1 LEU 11 -6.347 -6.340 -17.201 49 HD13 LEU 11 3HD1 LEU 11 -7.440 -5.207 -17.995 50 HD21 LEU 11 1HD2 LEU 11 -7.897 -7.208 -14.516 51 HD22 LEU 11 2HD2 LEU 11 -7.012 -7.926 -15.863 52 HD23 LEU 11 3HD2 LEU 11 -8.722 -8.295 -15.634 53 H GLU 12 H GLU 12 -7.728 -1.379 -16.876 54 HA GLU 12 HA GLU 12 -5.051 -2.078 -17.753 55 HB2 GLU 12 1HB GLU 12 -6.680 -0.268 -18.745 56 HB3 GLU 12 2HB GLU 12 -6.006 0.744 -17.475 57 HG2 GLU 12 1HG GLU 12 -4.714 1.193 -19.368 58 HG3 GLU 12 2HG GLU 12 -3.725 0.116 -18.384 59 H VAL 13 H VAL 13 -3.147 -1.046 -16.889 60 HA VAL 13 HA VAL 13 -3.376 0.055 -14.193 61 HB VAL 13 HB VAL 13 -1.703 -2.370 -14.855 62 HG11 VAL 13 1HG1 VAL 13 -0.266 -1.515 -13.363 63 HG12 VAL 13 2HG1 VAL 13 -1.434 -0.328 -12.777 64 HG13 VAL 13 3HG1 VAL 13 -1.471 -1.981 -12.163 65 HG21 VAL 13 1HG2 VAL 13 -3.873 -2.035 -12.790 66 HG22 VAL 13 2HG2 VAL 13 -4.124 -2.748 -14.384 67 HG23 VAL 13 3HG2 VAL 13 -3.037 -3.524 -13.233 68 H LYS 14 H LYS 14 -1.987 1.675 -13.860 69 HA LYS 14 HA LYS 14 0.129 2.097 -15.857 70 HB2 LYS 14 1HB LYS 14 -1.169 4.088 -13.986 71 HB3 LYS 14 2HB LYS 14 0.049 4.462 -15.198 72 HG2 LYS 14 1HG LYS 14 -1.455 3.907 -16.974 73 HG3 LYS 14 2HG LYS 14 -2.655 3.302 -15.830 74 HD2 LYS 14 1HD LYS 14 -1.712 6.107 -15.527 75 HD3 LYS 14 2HD LYS 14 -2.812 5.737 -16.856 76 HE2 LYS 14 1HE LYS 14 -3.484 4.710 -14.148 77 HE3 LYS 14 2HE LYS 14 -3.694 6.433 -14.457 78 HZ1 LYS 14 1HZ LYS 14 -4.892 5.493 -16.588 79 HZ2 LYS 14 2HZ LYS 14 -5.712 5.673 -15.120 80 HZ3 LYS 14 3HZ LYS 14 -5.134 4.153 -15.585 81 H GLU 15 H GLU 15 2.061 3.349 -14.973 82 HA GLU 15 HA GLU 15 2.722 2.616 -12.220 83 HB2 GLU 15 1HB GLU 15 4.638 1.408 -12.735 84 HB3 GLU 15 2HB GLU 15 3.508 0.864 -13.967 85 HG2 GLU 15 1HG GLU 15 4.506 2.399 -15.574 86 HG3 GLU 15 2HG GLU 15 5.628 2.968 -14.340 87 H GLU 16 H GLU 16 4.388 3.860 -11.287 88 HA GLU 16 HA GLU 16 5.343 6.138 -12.874 89 HB2 GLU 16 1HB GLU 16 4.003 6.268 -10.172 90 HB3 GLU 16 2HB GLU 16 4.952 7.588 -10.841 91 HG2 GLU 16 1HG GLU 16 2.509 6.397 -12.132 92 HG3 GLU 16 2HG GLU 16 2.529 7.870 -11.165 93 H ASN 17 H ASN 17 7.471 5.750 -12.931 94 HA ASN 17 HA ASN 17 9.617 5.394 -12.265 95 HB2 ASN 17 1HB ASN 17 8.596 6.425 -9.608 96 HB3 ASN 17 2HB ASN 17 10.284 6.331 -10.100 97 HD21 ASN 17 1HD2 ASN 17 7.500 8.212 -10.047 98 HD22 ASN 17 2HD2 ASN 17 8.038 9.489 -11.080 99 H GLY 18 H GLY 18 7.593 3.256 -11.928 100 HA2 GLY 18 1HA GLY 18 8.251 0.994 -11.417 101 HA3 GLY 18 2HA GLY 18 9.141 1.613 -10.034 102 H VAL 19 H VAL 19 6.663 3.415 -9.596 103 HA VAL 19 HA VAL 19 5.352 1.557 -7.799 104 HB VAL 19 HB VAL 19 4.691 4.470 -8.225 105 HG11 VAL 19 1HG1 VAL 19 3.044 3.018 -7.022 106 HG12 VAL 19 2HG1 VAL 19 4.282 2.736 -5.796 107 HG13 VAL 19 3HG1 VAL 19 3.669 4.367 -6.073 108 HG21 VAL 19 1HG2 VAL 19 7.078 4.178 -7.680 109 HG22 VAL 19 2HG2 VAL 19 6.186 4.983 -6.388 110 HG23 VAL 19 3HG2 VAL 19 6.619 3.280 -6.233 111 H TRP 20 H TRP 20 3.823 0.282 -8.618 112 HA TRP 20 HA TRP 20 2.356 0.827 -10.966 113 HB2 TRP 20 1HB TRP 20 1.780 -1.131 -8.731 114 HB3 TRP 20 2HB TRP 20 0.978 -1.125 -10.299 115 HD1 TRP 20 HD TRP 20 3.940 -2.522 -8.548 116 HE1 TRP 20 1HE TRP 20 5.462 -3.755 -10.217 117 HE3 TRP 20 3HE TRP 20 1.852 -0.881 -12.917 118 HZ2 TRP 20 2HZ TRP 20 5.742 -4.000 -13.015 119 HZ3 TRP 20 3HZ TRP 20 2.807 -1.662 -15.046 120 HH2 TRP 20 HH TRP 20 4.711 -3.188 -15.092 121 H VAL 21 H VAL 21 0.045 1.132 -11.168 122 HA VAL 21 HA VAL 21 -1.047 2.774 -8.977 123 HB VAL 21 HB VAL 21 -1.647 2.935 -11.935 124 HG11 VAL 21 1HG1 VAL 21 -3.203 4.595 -11.506 125 HG12 VAL 21 2HG1 VAL 21 -3.503 3.450 -10.196 126 HG13 VAL 21 3HG1 VAL 21 -2.569 4.916 -9.892 127 HG21 VAL 21 1HG2 VAL 21 -0.598 5.302 -10.601 128 HG22 VAL 21 2HG2 VAL 21 0.523 3.941 -10.573 129 HG23 VAL 21 3HG2 VAL 21 -0.099 4.539 -12.111 130 H LEU 22 H LEU 22 -2.245 1.326 -7.837 131 HA LEU 22 HA LEU 22 -4.107 -0.416 -9.269 132 HB2 LEU 22 1HB LEU 22 -3.299 -0.293 -6.369 133 HB3 LEU 22 2HB LEU 22 -4.494 -1.414 -7.020 134 HG LEU 22 HG LEU 22 -1.523 -1.376 -7.452 135 HD11 LEU 22 1HD1 LEU 22 -2.213 -2.636 -5.556 136 HD12 LEU 22 2HD1 LEU 22 -1.831 -3.785 -6.839 137 HD13 LEU 22 3HD1 LEU 22 -3.513 -3.408 -6.465 138 HD21 LEU 22 1HD2 LEU 22 -2.273 -3.433 -8.980 139 HD22 LEU 22 2HD2 LEU 22 -2.012 -1.811 -9.621 140 HD23 LEU 22 3HD2 LEU 22 -3.647 -2.364 -9.259 141 H ASN 23 H ASN 23 -6.338 -0.577 -8.538 142 HA ASN 23 HA ASN 23 -7.526 1.367 -6.861 143 HB2 ASN 23 1HB ASN 23 -8.866 2.329 -8.962 144 HB3 ASN 23 2HB ASN 23 -7.381 3.074 -8.378 145 HD21 ASN 23 1HD2 ASN 23 -8.717 0.870 -10.761 146 HD22 ASN 23 2HD2 ASN 23 -7.458 1.074 -11.928 147 H ASP 24 H ASP 24 -9.966 1.337 -7.086 148 HA ASP 24 HA ASP 24 -10.999 -1.159 -6.777 149 HB2 ASP 24 1HB ASP 24 -13.209 -0.208 -7.159 150 HB3 ASP 24 2HB ASP 24 -12.214 0.930 -6.255 151 H GLY 25 H GLY 25 -10.126 0.358 -9.744 152 HA2 GLY 25 1HA GLY 25 -11.739 -1.315 -11.440 153 HA3 GLY 25 2HA GLY 25 -10.450 -0.237 -11.956 154 H ASN 26 H ASN 26 -8.329 -1.267 -10.465 155 HA ASN 26 HA ASN 26 -8.115 -4.034 -11.444 156 HB2 ASN 26 1HB ASN 26 -5.579 -3.256 -11.759 157 HB3 ASN 26 2HB ASN 26 -6.777 -3.080 -13.037 158 HD21 ASN 26 1HD2 ASN 26 -4.634 -1.492 -10.934 159 HD22 ASN 26 2HD2 ASN 26 -5.013 0.130 -11.391 160 H PHE 27 H PHE 27 -8.758 -3.218 -8.809 161 HA PHE 27 HA PHE 27 -6.363 -3.376 -7.206 162 HB2 PHE 27 1HB PHE 27 -8.379 -2.054 -6.528 163 HB3 PHE 27 2HB PHE 27 -9.244 -3.572 -6.310 164 HD1 PHE 27 1HD PHE 27 -6.616 -1.390 -5.002 165 HD2 PHE 27 2HD PHE 27 -8.778 -5.012 -4.438 166 HE1 PHE 27 1HE PHE 27 -5.762 -1.536 -2.699 167 HE2 PHE 27 2HE PHE 27 -7.929 -5.165 -2.134 168 HZ PHE 27 HZ PHE 27 -6.420 -3.425 -1.261 169 H ASP 28 H ASP 28 -9.304 -5.392 -7.362 170 HA ASP 28 HA ASP 28 -8.045 -7.597 -6.065 171 HB2 ASP 28 1HB ASP 28 -10.379 -7.460 -5.770 172 HB3 ASP 28 2HB ASP 28 -10.670 -7.241 -7.494 173 H ASN 29 H ASN 29 -8.811 -6.807 -9.423 174 HA ASN 29 HA ASN 29 -8.180 -9.238 -10.616 175 HB2 ASN 29 1HB ASN 29 -8.064 -6.393 -11.577 176 HB3 ASN 29 2HB ASN 29 -7.523 -7.710 -12.615 177 HD21 ASN 29 1HD2 ASN 29 -9.091 -9.493 -12.926 178 HD22 ASN 29 2HD2 ASN 29 -10.763 -9.078 -13.061 179 H PHE 30 H PHE 30 -6.068 -6.479 -9.887 180 HA PHE 30 HA PHE 30 -3.718 -7.589 -10.980 181 HB2 PHE 30 1HB PHE 30 -4.114 -5.163 -10.363 182 HB3 PHE 30 2HB PHE 30 -3.838 -5.628 -8.687 183 HD1 PHE 30 1HD PHE 30 -2.278 -5.439 -12.029 184 HD2 PHE 30 2HD PHE 30 -1.659 -5.917 -7.845 185 HE1 PHE 30 1HE PHE 30 0.145 -5.163 -12.359 186 HE2 PHE 30 2HE PHE 30 0.764 -5.641 -8.168 187 HZ PHE 30 HZ PHE 30 1.669 -5.262 -10.427 188 H VAL 31 H VAL 31 -4.729 -7.317 -7.569 189 HA VAL 31 HA VAL 31 -2.640 -8.973 -6.595 190 HB VAL 31 HB VAL 31 -3.744 -8.906 -4.471 191 HG11 VAL 31 1HG1 VAL 31 -4.505 -6.311 -4.629 192 HG12 VAL 31 2HG1 VAL 31 -2.828 -6.851 -4.533 193 HG13 VAL 31 3HG1 VAL 31 -3.544 -6.467 -6.099 194 HG21 VAL 31 1HG2 VAL 31 -6.148 -8.376 -6.125 195 HG22 VAL 31 2HG2 VAL 31 -5.962 -9.375 -4.684 196 HG23 VAL 31 3HG2 VAL 31 -6.071 -7.622 -4.532 197 H ALA 32 H ALA 32 -5.206 -9.777 -8.469 198 HA ALA 32 HA ALA 32 -6.278 -12.077 -7.274 199 HB1 ALA 32 1HB ALA 32 -5.945 -11.868 -10.237 200 HB2 ALA 32 2HB ALA 32 -7.298 -12.507 -9.303 201 HB3 ALA 32 3HB ALA 32 -7.026 -10.766 -9.385 202 H ASP 33 H ASP 33 -3.630 -11.751 -9.634 203 HA ASP 33 HA ASP 33 -2.947 -14.554 -9.350 204 HB2 ASP 33 1HB ASP 33 -1.510 -12.394 -10.905 205 HB3 ASP 33 2HB ASP 33 -1.279 -14.133 -11.063 206 H LYS 34 H LYS 34 -1.822 -11.449 -8.228 207 HA LYS 34 HA LYS 34 0.659 -12.502 -7.180 208 HB2 LYS 34 1HB LYS 34 -0.677 -9.806 -6.895 209 HB3 LYS 34 2HB LYS 34 0.891 -10.204 -6.205 210 HG2 LYS 34 1HG LYS 34 1.700 -10.709 -8.504 211 HG3 LYS 34 2HG LYS 34 0.159 -10.110 -9.122 212 HD2 LYS 34 1HD LYS 34 0.590 -7.921 -8.360 213 HD3 LYS 34 2HD LYS 34 1.921 -8.456 -7.331 214 HE2 LYS 34 1HE LYS 34 2.817 -7.363 -9.281 215 HE3 LYS 34 2HE LYS 34 3.183 -9.086 -9.365 216 HZ1 LYS 34 1HZ LYS 34 2.055 -9.271 -11.251 217 HZ2 LYS 34 2HZ LYS 34 1.969 -7.583 -11.305 218 HZ3 LYS 34 3HZ LYS 34 0.701 -8.473 -10.625 219 H ASP 35 H ASP 35 1.048 -13.179 -5.154 220 HA ASP 35 HA ASP 35 -1.181 -13.632 -3.400 221 HB2 ASP 35 1HB ASP 35 0.774 -14.487 -1.882 222 HB3 ASP 35 2HB ASP 35 0.316 -15.398 -3.318 223 H THR 36 H THR 36 1.920 -11.913 -3.003 224 HA THR 36 HA THR 36 0.641 -10.280 -0.911 225 HB THR 36 HB THR 36 3.617 -10.550 -1.285 226 HG1 THR 36 1HG THR 36 1.796 -12.332 -0.129 227 HG21 THR 36 1HG2 THR 36 1.866 -9.141 0.519 228 HG22 THR 36 2HG2 THR 36 3.619 -9.039 0.356 229 HG23 THR 36 3HG2 THR 36 2.900 -10.259 1.407 230 H VAL 37 H VAL 37 0.053 -8.342 -1.619 231 HA VAL 37 HA VAL 37 1.841 -6.931 -3.492 232 HB VAL 37 HB VAL 37 -1.176 -6.776 -3.403 233 HG11 VAL 37 1HG1 VAL 37 0.403 -5.564 -5.598 234 HG12 VAL 37 2HG1 VAL 37 -1.123 -5.048 -4.879 235 HG13 VAL 37 3HG1 VAL 37 0.399 -4.725 -4.047 236 HG21 VAL 37 1HG2 VAL 37 -0.774 -7.611 -5.839 237 HG22 VAL 37 2HG2 VAL 37 0.759 -8.190 -5.189 238 HG23 VAL 37 3HG2 VAL 37 -0.761 -8.763 -4.504 239 H LEU 38 H LEU 38 2.618 -5.071 -2.754 240 HA LEU 38 HA LEU 38 1.697 -4.014 -0.235 241 HB2 LEU 38 1HB LEU 38 4.028 -3.992 -0.520 242 HB3 LEU 38 2HB LEU 38 3.906 -3.291 -2.133 243 HG LEU 38 HG LEU 38 2.994 -1.206 -0.942 244 HD11 LEU 38 1HD1 LEU 38 2.679 -1.385 1.248 245 HD12 LEU 38 2HD1 LEU 38 4.433 -1.441 1.427 246 HD13 LEU 38 3HD1 LEU 38 3.511 -2.940 1.305 247 HD21 LEU 38 1HD2 LEU 38 5.122 -1.135 -1.985 248 HD22 LEU 38 2HD2 LEU 38 5.851 -2.131 -0.725 249 HD23 LEU 38 3HD2 LEU 38 5.336 -0.484 -0.360 250 H LEU 39 H LEU 39 0.398 -2.315 0.088 251 HA LEU 39 HA LEU 39 -0.363 -0.700 -2.256 252 HB2 LEU 39 1HB LEU 39 -2.137 -1.165 0.117 253 HB3 LEU 39 2HB LEU 39 -2.575 -0.571 -1.483 254 HG LEU 39 HG LEU 39 -1.638 -3.388 -0.973 255 HD11 LEU 39 1HD1 LEU 39 -4.090 -2.202 -0.180 256 HD12 LEU 39 2HD1 LEU 39 -3.609 -3.897 -0.104 257 HD13 LEU 39 3HD1 LEU 39 -4.413 -3.273 -1.544 258 HD21 LEU 39 1HD2 LEU 39 -3.228 -2.231 -3.256 259 HD22 LEU 39 2HD2 LEU 39 -2.532 -3.847 -3.138 260 HD23 LEU 39 3HD2 LEU 39 -1.477 -2.440 -3.282 261 H GLU 40 H GLU 40 -0.459 1.498 -2.038 262 HA GLU 40 HA GLU 40 0.098 2.642 0.607 263 HB2 GLU 40 1HB GLU 40 2.242 2.496 -0.557 264 HB3 GLU 40 2HB GLU 40 1.565 3.339 -1.943 265 HG2 GLU 40 1HG GLU 40 1.050 5.181 -0.127 266 HG3 GLU 40 2HG GLU 40 2.387 4.391 0.707 267 H PHE 41 H PHE 41 -1.603 3.879 1.030 268 HA PHE 41 HA PHE 41 -3.073 5.173 -1.112 269 HB2 PHE 41 1HB PHE 41 -3.558 5.192 1.875 270 HB3 PHE 41 2HB PHE 41 -4.660 5.810 0.650 271 HD1 PHE 41 2HD PHE 41 -3.106 2.759 2.012 272 HD2 PHE 41 1HD PHE 41 -6.102 4.368 -0.547 273 HE1 PHE 41 2HE PHE 41 -4.138 0.533 1.827 274 HE2 PHE 41 1HE PHE 41 -7.140 2.145 -0.735 275 HZ PHE 41 HZ PHE 41 -6.158 0.224 0.451 276 H TYR 42 H TYR 42 -3.229 7.351 -1.461 277 HA TYR 42 HA TYR 42 -1.832 9.192 0.314 278 HB2 TYR 42 1HB TYR 42 -0.365 10.067 -1.317 279 HB3 TYR 42 2HB TYR 42 -0.216 8.319 -1.464 280 HD1 TYR 42 2HD TYR 42 -1.852 11.290 -2.975 281 HD2 TYR 42 1HD TYR 42 -0.636 7.248 -3.512 282 HE1 TYR 42 2HE TYR 42 -2.390 11.452 -5.369 283 HE2 TYR 42 1HE TYR 42 -1.169 7.400 -5.908 284 HH TYR 42 HH TYR 42 -1.390 9.151 -7.637 285 H ALA 43 H ALA 43 -2.052 11.511 -0.645 286 HA ALA 43 HA ALA 43 -4.662 11.812 -1.965 287 HB1 ALA 43 1HB ALA 43 -5.354 12.242 0.182 288 HB2 ALA 43 2HB ALA 43 -3.801 12.926 0.663 289 HB3 ALA 43 3HB ALA 43 -4.898 13.860 -0.352 290 HA PRO 44 HA PRO 44 -2.467 14.650 -4.529 291 HB2 PRO 44 1HB PRO 44 -4.597 15.961 -5.586 292 HB3 PRO 44 2HB PRO 44 -4.147 14.319 -6.062 293 HG2 PRO 44 1HG PRO 44 -6.257 15.223 -4.140 294 HG3 PRO 44 2HG PRO 44 -6.340 13.956 -5.378 295 HD2 PRO 44 1HD PRO 44 -5.947 13.406 -2.756 296 HD3 PRO 44 2HD PRO 44 -5.251 12.415 -4.054 297 H TRP 45 H TRP 45 -4.894 15.781 -2.246 298 HA TRP 45 HA TRP 45 -3.937 18.518 -2.384 299 HB2 TRP 45 1HB TRP 45 -5.643 18.734 -0.420 300 HB3 TRP 45 2HB TRP 45 -6.237 18.493 -2.060 301 HD1 TRP 45 HD TRP 45 -7.869 16.536 -2.395 302 HE1 TRP 45 1HE TRP 45 -8.632 14.524 -0.982 303 HE3 TRP 45 3HE TRP 45 -4.601 17.002 1.509 304 HZ2 TRP 45 2HZ TRP 45 -7.940 13.298 1.464 305 HZ3 TRP 45 3HZ TRP 45 -4.718 15.369 3.345 306 HH2 TRP 45 HH TRP 45 -6.353 13.556 3.322 307 H CYS 46 H CYS 46 -2.879 15.768 -0.920 308 HA CYS 46 HA CYS 46 -2.018 17.066 1.552 309 HB2 CYS 46 1HB CYS 46 -2.985 14.717 1.511 310 HB3 CYS 46 2HB CYS 46 -1.499 14.213 0.715 311 HG CYS 46 HG CYS 46 -2.048 14.244 3.843 312 H GLY 47 H GLY 47 -0.220 18.239 1.411 313 HA2 GLY 47 1HA GLY 47 1.726 17.903 -0.635 314 HA3 GLY 47 2HA GLY 47 1.878 18.938 0.777 315 H HIS 48 H HIS 48 1.549 16.856 2.726 316 HA HIS 48 HA HIS 48 4.163 16.112 3.185 317 HB2 HIS 48 1HB HIS 48 1.537 15.027 4.137 318 HB3 HIS 48 2HB HIS 48 3.029 14.204 4.579 319 HD1 HIS 48 1HD HIS 48 3.565 14.842 6.901 320 HD2 HIS 48 2HD HIS 48 2.170 18.077 4.698 321 HE1 HIS 48 1HE HIS 48 3.711 16.822 8.446 322 HE2 HIS 48 2HE HIS 48 2.782 18.750 7.119 323 H CYS 49 H CYS 49 1.932 14.766 0.965 324 HA CYS 49 HA CYS 49 3.134 12.171 0.777 325 HB2 CYS 49 1HB CYS 49 0.911 12.170 0.085 326 HB3 CYS 49 2HB CYS 49 1.082 13.679 -0.803 327 HG CYS 49 HG CYS 49 2.934 11.170 -2.021 328 H LYS 50 H LYS 50 3.467 15.238 -0.905 329 HA LYS 50 HA LYS 50 4.921 14.449 -3.129 330 HB2 LYS 50 1HB LYS 50 5.089 16.974 -1.483 331 HB3 LYS 50 2HB LYS 50 5.936 16.762 -3.010 332 HG2 LYS 50 1HG LYS 50 3.821 16.464 -4.166 333 HG3 LYS 50 2HG LYS 50 2.951 16.615 -2.638 334 HD2 LYS 50 1HD LYS 50 3.454 18.883 -2.437 335 HD3 LYS 50 2HD LYS 50 4.798 18.782 -3.576 336 HE2 LYS 50 1HE LYS 50 1.927 18.341 -4.367 337 HE3 LYS 50 2HE LYS 50 2.712 19.919 -4.427 338 HZ1 LYS 50 1HZ LYS 50 2.714 18.646 -6.558 339 HZ2 LYS 50 2HZ LYS 50 3.760 17.530 -5.836 340 HZ3 LYS 50 3HZ LYS 50 4.244 19.139 -6.033 341 H GLN 51 H GLN 51 6.027 15.082 0.164 342 HA GLN 51 HA GLN 51 8.798 14.825 -0.412 343 HB2 GLN 51 1HB GLN 51 7.137 14.881 2.070 344 HB3 GLN 51 2HB GLN 51 8.802 14.324 2.181 345 HG2 GLN 51 1HG GLN 51 9.469 16.476 1.049 346 HG3 GLN 51 2HG GLN 51 7.809 17.016 1.299 347 HE21 GLN 51 1HE2 GLN 51 9.388 18.638 2.426 348 HE22 GLN 51 2HE2 GLN 51 9.583 18.381 4.123 349 H PHE 52 H PHE 52 6.255 12.572 0.364 350 HA PHE 52 HA PHE 52 8.079 10.385 0.870 351 HB2 PHE 52 1HB PHE 52 5.714 10.758 1.891 352 HB3 PHE 52 2HB PHE 52 5.134 10.055 0.385 353 HD1 PHE 52 1HD PHE 52 7.998 9.247 2.635 354 HD2 PHE 52 2HD PHE 52 4.430 7.903 0.744 355 HE1 PHE 52 1HE PHE 52 8.366 6.993 3.551 356 HE2 PHE 52 2HE PHE 52 4.791 5.648 1.657 357 HZ PHE 52 HZ PHE 52 6.761 5.190 3.063 358 H ALA 53 H ALA 53 6.309 11.707 -1.800 359 HA ALA 53 HA ALA 53 5.878 9.747 -3.571 360 HB1 ALA 53 1HB ALA 53 5.593 11.503 -4.892 361 HB2 ALA 53 2HB ALA 53 6.489 12.519 -3.761 362 HB3 ALA 53 3HB ALA 53 7.343 11.666 -5.047 363 HA PRO 54 HA PRO 54 10.492 9.391 -4.937 364 HB2 PRO 54 1HB PRO 54 12.346 10.728 -3.472 365 HB3 PRO 54 2HB PRO 54 11.522 11.443 -4.862 366 HG2 PRO 54 1HG PRO 54 10.946 11.772 -1.943 367 HG3 PRO 54 2HG PRO 54 10.977 13.000 -3.222 368 HD2 PRO 54 1HD PRO 54 8.673 11.931 -2.284 369 HD3 PRO 54 2HD PRO 54 8.866 12.455 -3.969 370 H GLU 55 H GLU 55 9.906 9.734 -1.473 371 HA GLU 55 HA GLU 55 11.864 7.928 -0.569 372 HB2 GLU 55 1HB GLU 55 10.485 9.591 0.798 373 HB3 GLU 55 2HB GLU 55 9.208 8.384 0.779 374 HG2 GLU 55 1HG GLU 55 10.267 7.988 2.789 375 HG3 GLU 55 2HG GLU 55 10.995 6.791 1.720 376 H TYR 56 H TYR 56 8.602 7.463 -1.764 377 HA TYR 56 HA TYR 56 8.480 4.691 -1.007 378 HB2 TYR 56 1HB TYR 56 6.511 6.334 -1.348 379 HB3 TYR 56 2HB TYR 56 6.705 5.984 -3.061 380 HD1 TYR 56 1HD TYR 56 6.872 3.808 -0.027 381 HD2 TYR 56 2HD TYR 56 4.964 4.625 -3.741 382 HE1 TYR 56 1HE TYR 56 5.501 1.783 0.238 383 HE2 TYR 56 2HE TYR 56 3.588 2.603 -3.486 384 HH TYR 56 HH TYR 56 2.867 1.050 -1.939 385 H GLU 57 H GLU 57 8.763 6.435 -4.100 386 HA GLU 57 HA GLU 57 8.898 4.391 -5.882 387 HB2 GLU 57 1HB GLU 57 10.688 6.828 -5.841 388 HB3 GLU 57 2HB GLU 57 10.412 5.798 -7.239 389 HG2 GLU 57 1HG GLU 57 8.264 6.558 -7.549 390 HG3 GLU 57 2HG GLU 57 8.089 7.066 -5.870 391 H LYS 58 H LYS 58 11.679 5.662 -4.053 392 HA LYS 58 HA LYS 58 13.680 4.045 -4.969 393 HB2 LYS 58 1HB LYS 58 13.190 4.926 -2.119 394 HB3 LYS 58 2HB LYS 58 14.708 4.262 -2.708 395 HG2 LYS 58 1HG LYS 58 15.060 6.130 -4.139 396 HG3 LYS 58 2HG LYS 58 13.432 6.741 -3.837 397 HD2 LYS 58 1HD LYS 58 13.959 7.355 -1.627 398 HD3 LYS 58 2HD LYS 58 15.436 6.388 -1.624 399 HE2 LYS 58 1HE LYS 58 16.297 8.498 -1.908 400 HE3 LYS 58 2HE LYS 58 16.122 7.982 -3.584 401 HZ1 LYS 58 1HZ LYS 58 15.221 10.290 -2.756 402 HZ2 LYS 58 2HZ LYS 58 13.868 9.367 -2.335 403 HZ3 LYS 58 3HZ LYS 58 14.401 9.402 -3.940 404 H ILE 59 H ILE 59 11.427 3.277 -2.323 405 HA ILE 59 HA ILE 59 12.401 0.764 -1.664 406 HB ILE 59 HB ILE 59 9.524 1.684 -1.627 407 HG12 ILE 59 1HG1 ILE 59 11.509 1.630 0.648 408 HG13 ILE 59 2HG1 ILE 59 11.232 3.056 -0.345 409 HG21 ILE 59 1HG2 ILE 59 8.935 -0.196 -0.529 410 HG22 ILE 59 2HG2 ILE 59 10.333 -0.870 -1.365 411 HG23 ILE 59 3HG2 ILE 59 10.484 -0.323 0.304 412 HD11 ILE 59 1HD1 ILE 59 9.967 2.632 1.947 413 HD12 ILE 59 2HD1 ILE 59 9.221 3.484 0.595 414 HD13 ILE 59 3HD1 ILE 59 8.859 1.781 0.871 415 H ALA 60 H ALA 60 10.038 1.674 -4.143 416 HA ALA 60 HA ALA 60 9.097 -0.730 -4.995 417 HB1 ALA 60 1HB ALA 60 8.596 0.258 -7.045 418 HB2 ALA 60 2HB ALA 60 8.669 1.623 -5.930 419 HB3 ALA 60 3HB ALA 60 10.027 1.289 -7.005 420 H SER 61 H SER 61 12.101 0.780 -6.190 421 HA SER 61 HA SER 61 12.913 -1.359 -7.801 422 HB2 SER 61 1HB SER 61 14.025 0.673 -8.188 423 HB3 SER 61 2HB SER 61 14.398 0.900 -6.479 424 HG SER 61 HG SER 61 16.234 0.008 -6.944 425 H THR 62 H THR 62 13.467 -0.681 -4.389 426 HA THR 62 HA THR 62 15.367 -2.710 -3.913 427 HB THR 62 HB THR 62 13.383 -1.557 -1.943 428 HG1 THR 62 1HG THR 62 15.459 -0.298 -1.472 429 HG21 THR 62 1HG2 THR 62 14.984 -3.697 -1.551 430 HG22 THR 62 2HG2 THR 62 14.538 -2.563 -0.276 431 HG23 THR 62 3HG2 THR 62 16.086 -2.395 -1.105 432 H LEU 63 H LEU 63 11.963 -2.682 -2.841 433 HA LEU 63 HA LEU 63 11.838 -5.413 -2.257 434 HB2 LEU 63 1HB LEU 63 9.653 -3.482 -3.011 435 HB3 LEU 63 2HB LEU 63 9.368 -5.107 -2.390 436 HG LEU 63 HG LEU 63 10.926 -3.071 -0.825 437 HD11 LEU 63 1HD1 LEU 63 8.747 -2.093 -1.375 438 HD12 LEU 63 2HD1 LEU 63 8.881 -2.481 0.339 439 HD13 LEU 63 3HD1 LEU 63 7.947 -3.527 -0.731 440 HD21 LEU 63 1HD2 LEU 63 9.253 -5.379 0.133 441 HD22 LEU 63 2HD2 LEU 63 10.463 -4.457 1.028 442 HD23 LEU 63 3HD2 LEU 63 10.962 -5.541 -0.271 443 H LYS 64 H LYS 64 11.641 -3.732 -5.261 444 HA LYS 64 HA LYS 64 10.165 -5.482 -6.831 445 HB2 LYS 64 1HB LYS 64 10.776 -3.432 -7.814 446 HB3 LYS 64 2HB LYS 64 12.481 -3.665 -7.450 447 HG2 LYS 64 1HG LYS 64 12.440 -5.596 -9.072 448 HG3 LYS 64 2HG LYS 64 10.835 -5.039 -9.555 449 HD2 LYS 64 1HD LYS 64 13.335 -3.351 -9.630 450 HD3 LYS 64 2HD LYS 64 12.654 -4.199 -11.020 451 HE2 LYS 64 1HE LYS 64 10.667 -2.882 -10.942 452 HE3 LYS 64 2HE LYS 64 11.124 -2.180 -9.390 453 HZ1 LYS 64 1HZ LYS 64 13.069 -1.187 -10.547 454 HZ2 LYS 64 2HZ LYS 64 11.578 -0.592 -11.078 455 HZ3 LYS 64 3HZ LYS 64 12.421 -1.717 -12.018 456 H ASP 65 H ASP 65 13.646 -5.528 -6.117 457 HA ASP 65 HA ASP 65 14.003 -8.022 -7.538 458 HB2 ASP 65 1HB ASP 65 15.737 -6.188 -7.454 459 HB3 ASP 65 2HB ASP 65 15.995 -6.606 -5.763 460 H ASN 66 H ASN 66 13.509 -6.946 -4.270 461 HA ASN 66 HA ASN 66 14.503 -8.876 -2.670 462 HB2 ASN 66 1HB ASN 66 13.172 -7.078 -1.761 463 HB3 ASN 66 2HB ASN 66 11.725 -7.687 -2.559 464 HD21 ASN 66 1HD2 ASN 66 10.580 -9.320 -1.644 465 HD22 ASN 66 2HD2 ASN 66 10.937 -9.988 -0.091 466 H ASP 67 H ASP 67 13.671 -10.861 -1.771 467 HA ASP 67 HA ASP 67 12.037 -12.381 -3.698 468 HB2 ASP 67 1HB ASP 67 14.466 -13.167 -2.114 469 HB3 ASP 67 2HB ASP 67 13.317 -14.389 -2.653 470 HA PRO 68 HA PRO 68 10.577 -13.671 -4.020 471 HB2 PRO 68 1HB PRO 68 7.897 -13.242 -4.064 472 HB3 PRO 68 2HB PRO 68 8.617 -14.763 -3.524 473 HG2 PRO 68 1HG PRO 68 7.597 -12.467 -1.897 474 HG3 PRO 68 2HG PRO 68 7.380 -14.207 -1.636 475 HD2 PRO 68 1HD PRO 68 9.206 -12.746 -0.271 476 HD3 PRO 68 2HD PRO 68 9.465 -14.453 -0.685 477 HA PRO 69 HA PRO 69 10.415 -9.643 -5.775 478 HB2 PRO 69 1HB PRO 69 8.996 -10.028 -8.057 479 HB3 PRO 69 2HB PRO 69 10.647 -10.622 -7.841 480 HG2 PRO 69 1HG PRO 69 8.054 -12.095 -7.579 481 HG3 PRO 69 2HG PRO 69 9.563 -12.614 -8.352 482 HD2 PRO 69 1HD PRO 69 8.843 -13.427 -5.871 483 HD3 PRO 69 2HD PRO 69 10.538 -13.197 -6.347 484 H ILE 70 H ILE 70 9.203 -8.414 -4.343 485 HA ILE 70 HA ILE 70 6.312 -8.489 -4.423 486 HB ILE 70 HB ILE 70 8.136 -6.602 -2.929 487 HG12 ILE 70 1HG1 ILE 70 6.633 -8.951 -1.786 488 HG13 ILE 70 2HG1 ILE 70 8.274 -9.111 -2.403 489 HG21 ILE 70 1HG2 ILE 70 6.135 -5.491 -2.899 490 HG22 ILE 70 2HG2 ILE 70 5.186 -6.971 -3.027 491 HG23 ILE 70 3HG2 ILE 70 5.933 -6.533 -1.491 492 HD11 ILE 70 1HD1 ILE 70 8.729 -8.738 -0.215 493 HD12 ILE 70 2HD1 ILE 70 8.685 -7.067 -0.777 494 HD13 ILE 70 3HD1 ILE 70 7.283 -7.761 0.037 495 H ALA 71 H ALA 71 4.957 -6.858 -5.144 496 HA ALA 71 HA ALA 71 6.218 -4.897 -6.946 497 HB1 ALA 71 1HB ALA 71 3.415 -5.257 -7.461 498 HB2 ALA 71 2HB ALA 71 4.792 -5.512 -8.533 499 HB3 ALA 71 3HB ALA 71 4.246 -6.813 -7.475 500 H VAL 72 H VAL 72 6.195 -2.895 -6.184 501 HA VAL 72 HA VAL 72 4.337 -2.109 -4.108 502 HB VAL 72 HB VAL 72 6.496 -0.505 -5.486 503 HG11 VAL 72 1HG1 VAL 72 5.416 1.225 -4.559 504 HG12 VAL 72 2HG1 VAL 72 4.446 0.184 -3.516 505 HG13 VAL 72 3HG1 VAL 72 6.084 0.633 -3.039 506 HG21 VAL 72 1HG2 VAL 72 6.467 -2.245 -3.056 507 HG22 VAL 72 2HG2 VAL 72 7.669 -2.137 -4.343 508 HG23 VAL 72 3HG2 VAL 72 7.555 -0.858 -3.134 509 H ALA 73 H ALA 73 2.613 -0.789 -4.314 510 HA ALA 73 HA ALA 73 2.173 0.589 -6.863 511 HB1 ALA 73 1HB ALA 73 0.944 -1.786 -6.390 512 HB2 ALA 73 2HB ALA 73 -0.247 -0.648 -5.760 513 HB3 ALA 73 3HB ALA 73 0.302 -0.514 -7.430 514 H LYS 74 H LYS 74 0.207 2.066 -6.692 515 HA LYS 74 HA LYS 74 -0.078 3.132 -3.966 516 HB2 LYS 74 1HB LYS 74 0.225 5.372 -4.701 517 HB3 LYS 74 2HB LYS 74 1.568 4.448 -5.361 518 HG2 LYS 74 1HG LYS 74 0.555 4.404 -7.530 519 HG3 LYS 74 2HG LYS 74 -0.923 5.137 -6.903 520 HD2 LYS 74 1HD LYS 74 0.077 7.002 -7.753 521 HD3 LYS 74 2HD LYS 74 0.782 7.018 -6.135 522 HE2 LYS 74 1HE LYS 74 2.596 5.493 -7.329 523 HE3 LYS 74 2HE LYS 74 2.024 6.361 -8.752 524 HZ1 LYS 74 1HZ LYS 74 3.894 7.245 -6.980 525 HZ2 LYS 74 2HZ LYS 74 2.504 8.097 -6.530 526 HZ3 LYS 74 3HZ LYS 74 3.079 8.196 -8.118 527 H ILE 75 H ILE 75 -2.011 4.359 -3.594 528 HA ILE 75 HA ILE 75 -4.097 4.127 -5.633 529 HB ILE 75 HB ILE 75 -4.404 3.109 -2.807 530 HG12 ILE 75 1HG1 ILE 75 -4.862 1.543 -5.331 531 HG13 ILE 75 2HG1 ILE 75 -3.245 1.691 -4.651 532 HG21 ILE 75 1HG2 ILE 75 -6.486 3.097 -4.977 533 HG22 ILE 75 2HG2 ILE 75 -6.689 2.703 -3.271 534 HG23 ILE 75 3HG2 ILE 75 -6.373 4.367 -3.759 535 HD11 ILE 75 1HD1 ILE 75 -4.984 -0.274 -4.040 536 HD12 ILE 75 2HD1 ILE 75 -3.687 0.271 -2.976 537 HD13 ILE 75 3HD1 ILE 75 -5.327 0.879 -2.750 538 H ASP 76 H ASP 76 -5.435 5.839 -5.700 539 HA ASP 76 HA ASP 76 -4.949 8.003 -3.812 540 HB2 ASP 76 1HB ASP 76 -6.876 8.273 -6.074 541 HB3 ASP 76 2HB ASP 76 -5.738 9.449 -5.423 542 H ALA 77 H ALA 77 -6.020 7.373 -1.955 543 HA ALA 77 HA ALA 77 -8.396 6.172 -1.550 544 HB1 ALA 77 1HB ALA 77 -6.983 8.336 -0.093 545 HB2 ALA 77 2HB ALA 77 -8.641 7.970 0.384 546 HB3 ALA 77 3HB ALA 77 -7.411 6.707 0.431 547 H THR 78 H THR 78 -7.942 9.508 -2.584 548 HA THR 78 HA THR 78 -10.588 10.394 -2.313 549 HB THR 78 HB THR 78 -10.021 12.156 -3.906 550 HG1 THR 78 1HG THR 78 -8.791 10.795 -5.351 551 HG21 THR 78 1HG2 THR 78 -8.056 13.084 -2.760 552 HG22 THR 78 2HG2 THR 78 -7.730 11.505 -2.047 553 HG23 THR 78 3HG2 THR 78 -9.199 12.380 -1.617 554 H SER 79 H SER 79 -8.933 8.795 -5.003 555 HA SER 79 HA SER 79 -11.270 8.881 -6.690 556 HB2 SER 79 1HB SER 79 -8.838 8.910 -7.488 557 HB3 SER 79 2HB SER 79 -8.816 7.182 -7.137 558 HG SER 79 HG SER 79 -10.096 6.810 -8.797 559 H ALA 80 H ALA 80 -9.755 6.616 -4.506 560 HA ALA 80 HA ALA 80 -11.802 4.608 -5.180 561 HB1 ALA 80 1HB ALA 80 -8.993 4.388 -4.736 562 HB2 ALA 80 2HB ALA 80 -9.845 3.468 -3.495 563 HB3 ALA 80 3HB ALA 80 -10.145 3.135 -5.201 564 H SER 81 H SER 81 -13.485 5.274 -3.896 565 HA SER 81 HA SER 81 -13.103 5.975 -1.135 566 HB2 SER 81 1HB SER 81 -15.543 5.578 -2.863 567 HB3 SER 81 2HB SER 81 -15.666 5.903 -1.134 568 HG SER 81 HG SER 81 -15.761 7.816 -2.406 569 H MET 82 H MET 82 -14.476 3.209 -2.884 570 HA MET 82 HA MET 82 -15.335 1.715 -0.701 571 HB2 MET 82 1HB MET 82 -15.852 1.171 -3.054 572 HB3 MET 82 2HB MET 82 -14.181 0.679 -3.297 573 HG2 MET 82 1HG MET 82 -14.558 -1.011 -1.451 574 HG3 MET 82 2HG MET 82 -16.273 -0.632 -1.594 575 HE1 MET 82 1HE MET 82 -13.249 -1.113 -3.966 576 HE2 MET 82 2HE MET 82 -13.276 -2.671 -3.141 577 HE3 MET 82 3HE MET 82 -13.672 -2.576 -4.857 578 H LEU 83 H LEU 83 -12.301 1.185 -2.509 579 HA LEU 83 HA LEU 83 -11.122 -0.607 -0.783 580 HB2 LEU 83 1HB LEU 83 -9.739 1.552 -2.369 581 HB3 LEU 83 2HB LEU 83 -8.975 0.106 -1.711 582 HG LEU 83 HG LEU 83 -11.100 0.142 -3.854 583 HD11 LEU 83 1HD1 LEU 83 -9.131 -0.736 -5.226 584 HD12 LEU 83 2HD1 LEU 83 -8.110 -0.078 -3.949 585 HD13 LEU 83 3HD1 LEU 83 -9.171 0.990 -4.866 586 HD21 LEU 83 1HD2 LEU 83 -9.739 -2.285 -3.854 587 HD22 LEU 83 2HD2 LEU 83 -11.390 -1.993 -3.306 588 HD23 LEU 83 3HD2 LEU 83 -10.057 -1.946 -2.153 589 H ALA 84 H ALA 84 -11.048 2.929 -0.656 590 HA ALA 84 HA ALA 84 -9.221 3.288 1.399 591 HB1 ALA 84 1HB ALA 84 -11.704 4.944 0.984 592 HB2 ALA 84 2HB ALA 84 -10.186 5.450 1.728 593 HB3 ALA 84 3HB ALA 84 -10.244 5.084 0.004 594 H SER 85 H SER 85 -12.753 2.895 1.644 595 HA SER 85 HA SER 85 -12.853 2.991 4.462 596 HB2 SER 85 1HB SER 85 -14.733 1.909 2.370 597 HB3 SER 85 2HB SER 85 -15.096 1.784 4.091 598 HG SER 85 HG SER 85 -15.914 3.701 2.933 599 H LYS 86 H LYS 86 -12.057 0.471 2.229 600 HA LYS 86 HA LYS 86 -12.572 -1.784 3.819 601 HB2 LYS 86 1HB LYS 86 -11.848 -1.557 1.308 602 HB3 LYS 86 2HB LYS 86 -10.222 -1.692 1.964 603 HG2 LYS 86 1HG LYS 86 -10.826 -3.833 2.995 604 HG3 LYS 86 2HG LYS 86 -12.443 -3.700 2.298 605 HD2 LYS 86 1HD LYS 86 -11.596 -3.869 0.086 606 HD3 LYS 86 2HD LYS 86 -9.932 -3.658 0.636 607 HE2 LYS 86 1HE LYS 86 -10.190 -5.964 0.183 608 HE3 LYS 86 2HE LYS 86 -10.224 -5.803 1.938 609 HZ1 LYS 86 1HZ LYS 86 -12.843 -5.563 1.053 610 HZ2 LYS 86 2HZ LYS 86 -12.161 -6.845 1.920 611 HZ3 LYS 86 3HZ LYS 86 -12.186 -6.887 0.229 612 H PHE 87 H PHE 87 -9.514 -0.014 3.334 613 HA PHE 87 HA PHE 87 -8.383 -1.360 5.665 614 HB2 PHE 87 1HB PHE 87 -7.084 0.542 3.702 615 HB3 PHE 87 2HB PHE 87 -6.254 -0.366 4.962 616 HD1 PHE 87 2HD PHE 87 -8.184 -0.707 1.827 617 HD2 PHE 87 1HD PHE 87 -5.559 -2.578 4.606 618 HE1 PHE 87 2HE PHE 87 -7.868 -2.579 0.262 619 HE2 PHE 87 1HE PHE 87 -5.237 -4.453 3.045 620 HZ PHE 87 HZ PHE 87 -6.394 -4.456 0.870 621 H ASP 88 H ASP 88 -10.498 0.730 5.821 622 HA ASP 88 HA ASP 88 -10.957 2.728 6.869 623 HB2 ASP 88 1HB ASP 88 -9.204 1.162 8.740 624 HB3 ASP 88 2HB ASP 88 -9.833 2.737 9.215 625 H VAL 89 H VAL 89 -9.112 3.244 4.928 626 HA VAL 89 HA VAL 89 -6.766 4.532 5.892 627 HB VAL 89 HB VAL 89 -8.176 4.930 3.250 628 HG11 VAL 89 1HG1 VAL 89 -5.417 5.641 4.218 629 HG12 VAL 89 2HG1 VAL 89 -5.846 5.560 2.508 630 HG13 VAL 89 3HG1 VAL 89 -6.654 6.716 3.568 631 HG21 VAL 89 1HG2 VAL 89 -6.175 2.906 4.192 632 HG22 VAL 89 2HG2 VAL 89 -7.687 2.649 3.321 633 HG23 VAL 89 3HG2 VAL 89 -6.298 3.347 2.488 634 H SER 90 H SER 90 -7.364 5.996 7.493 635 HA SER 90 HA SER 90 -8.992 8.284 6.610 636 HB2 SER 90 1HB SER 90 -9.562 8.687 8.890 637 HB3 SER 90 2HB SER 90 -9.740 6.950 8.641 638 HG SER 90 HG SER 90 -8.482 6.858 10.332 639 H GLY 91 H GLY 91 -6.126 7.830 6.057 640 HA2 GLY 91 1HA GLY 91 -5.195 10.452 6.582 641 HA3 GLY 91 2HA GLY 91 -4.438 9.322 7.695 642 H TYR 92 H TYR 92 -2.800 10.675 6.074 643 HA TYR 92 HA TYR 92 -1.581 8.581 4.537 644 HB2 TYR 92 1HB TYR 92 -2.100 11.028 2.911 645 HB3 TYR 92 2HB TYR 92 -1.831 9.369 2.387 646 HD1 TYR 92 2HD TYR 92 -4.329 11.704 3.779 647 HD2 TYR 92 1HD TYR 92 -3.654 7.867 2.069 648 HE1 TYR 92 2HE TYR 92 -6.755 11.406 3.506 649 HE2 TYR 92 1HE TYR 92 -6.078 7.558 1.790 650 HH TYR 92 HH TYR 92 -8.250 8.714 3.165 651 HA PRO 93 HA PRO 93 -0.004 8.688 2.766 652 HB2 PRO 93 1HB PRO 93 2.460 7.606 3.126 653 HB3 PRO 93 2HB PRO 93 2.178 9.048 2.144 654 HG2 PRO 93 1HG PRO 93 3.156 8.839 4.966 655 HG3 PRO 93 2HG PRO 93 3.735 9.885 3.656 656 HD2 PRO 93 1HD PRO 93 2.085 10.775 5.609 657 HD3 PRO 93 2HD PRO 93 2.033 11.411 3.952 658 H THR 94 H THR 94 -0.471 6.519 2.917 659 HA THR 94 HA THR 94 -0.130 5.248 5.550 660 HB THR 94 HB THR 94 -2.629 5.348 3.868 661 HG1 THR 94 1HG THR 94 -2.491 6.943 5.446 662 HG21 THR 94 1HG2 THR 94 -2.413 3.036 4.381 663 HG22 THR 94 2HG2 THR 94 -3.550 3.703 5.553 664 HG23 THR 94 3HG2 THR 94 -1.882 3.382 6.026 665 H ILE 95 H ILE 95 1.104 3.510 5.328 666 HA ILE 95 HA ILE 95 1.121 2.080 2.767 667 HB ILE 95 HB ILE 95 3.046 1.803 5.077 668 HG12 ILE 95 1HG1 ILE 95 3.497 3.256 2.467 669 HG13 ILE 95 2HG1 ILE 95 3.002 4.070 3.948 670 HG21 ILE 95 1HG2 ILE 95 4.284 1.015 2.732 671 HG22 ILE 95 2HG2 ILE 95 3.658 -0.044 3.994 672 HG23 ILE 95 3HG2 ILE 95 2.655 0.352 2.599 673 HD11 ILE 95 1HD1 ILE 95 5.259 2.445 4.525 674 HD12 ILE 95 2HD1 ILE 95 5.605 3.413 3.092 675 HD13 ILE 95 3HD1 ILE 95 5.108 4.201 4.589 676 H LYS 96 H LYS 96 0.173 0.165 2.567 677 HA LYS 96 HA LYS 96 -0.275 -1.462 4.974 678 HB2 LYS 96 1HB LYS 96 -2.290 -0.843 2.809 679 HB3 LYS 96 2HB LYS 96 -2.503 -2.105 4.015 680 HG2 LYS 96 1HG LYS 96 -1.915 0.644 4.967 681 HG3 LYS 96 2HG LYS 96 -3.523 0.308 4.321 682 HD2 LYS 96 1HD LYS 96 -3.540 -1.706 5.895 683 HD3 LYS 96 2HD LYS 96 -2.146 -0.955 6.676 684 HE2 LYS 96 1HE LYS 96 -3.402 0.947 7.300 685 HE3 LYS 96 2HE LYS 96 -4.735 0.509 6.232 686 HZ1 LYS 96 1HZ LYS 96 -4.830 0.041 8.797 687 HZ2 LYS 96 2HZ LYS 96 -4.000 -1.365 8.357 688 HZ3 LYS 96 3HZ LYS 96 -5.518 -1.036 7.687 689 H ILE 97 H ILE 97 -0.893 -3.753 4.382 690 HA ILE 97 HA ILE 97 0.446 -4.593 1.897 691 HB ILE 97 HB ILE 97 0.634 -6.069 4.523 692 HG12 ILE 97 1HG1 ILE 97 2.949 -4.684 3.219 693 HG13 ILE 97 2HG1 ILE 97 1.850 -3.760 4.236 694 HG21 ILE 97 1HG2 ILE 97 0.845 -7.599 2.739 695 HG22 ILE 97 2HG2 ILE 97 1.852 -6.491 1.808 696 HG23 ILE 97 3HG2 ILE 97 2.491 -7.248 3.267 697 HD11 ILE 97 1HD1 ILE 97 2.461 -6.032 5.718 698 HD12 ILE 97 2HD1 ILE 97 3.983 -5.535 4.979 699 HD13 ILE 97 3HD1 ILE 97 3.069 -4.395 5.967 700 H LEU 98 H LEU 98 -0.374 -6.425 0.877 701 HA LEU 98 HA LEU 98 -2.988 -7.343 1.884 702 HB2 LEU 98 1HB LEU 98 -2.886 -5.941 -0.258 703 HB3 LEU 98 2HB LEU 98 -2.165 -7.366 -1.003 704 HG LEU 98 HG LEU 98 -4.260 -8.615 -0.258 705 HD11 LEU 98 1HD1 LEU 98 -5.967 -7.556 0.717 706 HD12 LEU 98 2HD1 LEU 98 -5.812 -6.145 -0.328 707 HD13 LEU 98 3HD1 LEU 98 -4.791 -6.299 1.101 708 HD21 LEU 98 1HD2 LEU 98 -4.885 -6.450 -2.226 709 HD22 LEU 98 2HD2 LEU 98 -5.309 -8.161 -2.273 710 HD23 LEU 98 3HD2 LEU 98 -3.648 -7.654 -2.583 711 H LYS 99 H LYS 99 -3.179 -9.440 2.312 712 HA LYS 99 HA LYS 99 -1.238 -11.301 1.107 713 HB2 LYS 99 1HB LYS 99 -1.088 -10.693 3.669 714 HB3 LYS 99 2HB LYS 99 -2.412 -11.843 3.803 715 HG2 LYS 99 1HG LYS 99 -0.474 -13.087 4.209 716 HG3 LYS 99 2HG LYS 99 -0.923 -13.472 2.546 717 HD2 LYS 99 1HD LYS 99 0.690 -11.609 1.867 718 HD3 LYS 99 2HD LYS 99 1.288 -11.686 3.526 719 HE2 LYS 99 1HE LYS 99 1.118 -14.099 1.737 720 HE3 LYS 99 2HE LYS 99 2.542 -13.062 1.806 721 HZ1 LYS 99 1HZ LYS 99 1.377 -14.678 4.001 722 HZ2 LYS 99 2HZ LYS 99 2.562 -13.498 4.254 723 HZ3 LYS 99 3HZ LYS 99 2.903 -14.846 3.291 724 H LYS 100 H LYS 100 -2.519 -12.159 -0.464 725 HA LYS 100 HA LYS 100 -4.232 -13.297 -1.455 726 HB2 LYS 100 1HB LYS 100 -4.499 -14.734 1.180 727 HB3 LYS 100 2HB LYS 100 -4.786 -15.366 -0.436 728 HG2 LYS 100 1HG LYS 100 -2.746 -16.235 -0.293 729 HG3 LYS 100 2HG LYS 100 -2.152 -14.592 -0.540 730 HD2 LYS 100 1HD LYS 100 -1.045 -15.073 1.389 731 HD3 LYS 100 2HD LYS 100 -2.551 -14.477 2.089 732 HE2 LYS 100 1HE LYS 100 -2.271 -16.448 3.240 733 HE3 LYS 100 2HE LYS 100 -3.285 -16.977 1.899 734 HZ1 LYS 100 1HZ LYS 100 -0.600 -17.726 2.557 735 HZ2 LYS 100 2HZ LYS 100 -0.755 -17.249 0.942 736 HZ3 LYS 100 3HZ LYS 100 -1.719 -18.499 1.550 737 H GLY 101 H GLY 101 -4.983 -10.850 -0.104 738 HA2 GLY 101 1HA GLY 101 -7.159 -9.884 -0.173 739 HA3 GLY 101 2HA GLY 101 -7.836 -11.453 0.237 740 H GLN 102 H GLN 102 -5.176 -10.910 2.156 741 HA GLN 102 HA GLN 102 -6.897 -10.027 4.368 742 HB2 GLN 102 1HB GLN 102 -5.921 -12.195 4.759 743 HB3 GLN 102 2HB GLN 102 -4.316 -11.595 4.362 744 HG2 GLN 102 1HG GLN 102 -4.697 -11.898 6.784 745 HG3 GLN 102 2HG GLN 102 -4.256 -10.251 6.336 746 HE21 GLN 102 1HE2 GLN 102 -6.973 -12.336 7.147 747 HE22 GLN 102 2HE2 GLN 102 -7.980 -11.086 7.784 748 H ALA 103 H ALA 103 -6.675 -7.999 5.010 749 HA ALA 103 HA ALA 103 -4.429 -6.402 4.178 750 HB1 ALA 103 1HB ALA 103 -5.600 -4.562 5.299 751 HB2 ALA 103 2HB ALA 103 -6.661 -5.441 4.198 752 HB3 ALA 103 3HB ALA 103 -6.778 -5.709 5.937 753 H VAL 104 H VAL 104 -2.602 -6.115 5.265 754 HA VAL 104 HA VAL 104 -2.549 -6.807 8.129 755 HB VAL 104 HB VAL 104 -0.299 -6.858 6.113 756 HG11 VAL 104 1HG1 VAL 104 -0.327 -6.878 9.049 757 HG12 VAL 104 2HG1 VAL 104 0.636 -8.157 8.306 758 HG13 VAL 104 3HG1 VAL 104 0.970 -6.467 7.927 759 HG21 VAL 104 1HG2 VAL 104 -2.171 -8.873 7.147 760 HG22 VAL 104 2HG2 VAL 104 -1.246 -8.846 5.645 761 HG23 VAL 104 3HG2 VAL 104 -0.476 -9.360 7.147 762 H ASP 105 H ASP 105 -3.052 -4.803 8.978 763 HA ASP 105 HA ASP 105 -2.180 -2.318 8.200 764 HB2 ASP 105 1HB ASP 105 -2.589 -1.579 10.490 765 HB3 ASP 105 2HB ASP 105 -3.842 -2.708 9.981 766 H TYR 106 H TYR 106 -0.285 -1.306 8.127 767 HA TYR 106 HA TYR 106 2.063 -2.639 9.207 768 HB2 TYR 106 1HB TYR 106 2.277 -1.872 6.948 769 HB3 TYR 106 2HB TYR 106 1.716 -0.260 7.378 770 HD1 TYR 106 2HD TYR 106 4.514 -2.653 7.841 771 HD2 TYR 106 1HD TYR 106 3.235 1.399 8.074 772 HE1 TYR 106 2HE TYR 106 6.843 -1.944 8.192 773 HE2 TYR 106 1HE TYR 106 5.561 2.119 8.425 774 HH TYR 106 HH TYR 106 7.674 1.200 9.212 775 H ASP 107 H ASP 107 2.726 -2.197 11.191 776 HA ASP 107 HA ASP 107 2.265 0.507 12.267 777 HB2 ASP 107 1HB ASP 107 1.069 -0.940 13.667 778 HB3 ASP 107 2HB ASP 107 2.303 -2.195 13.581 779 H GLY 108 H GLY 108 4.186 1.390 11.455 780 HA2 GLY 108 1HA GLY 108 6.432 1.205 13.133 781 HA3 GLY 108 2HA GLY 108 6.734 0.236 11.698 782 H SER 109 H SER 109 8.428 2.240 12.102 783 HA SER 109 HA SER 109 7.670 4.750 11.054 784 HB2 SER 109 1HB SER 109 10.320 3.382 11.456 785 HB3 SER 109 2HB SER 109 10.222 4.955 10.664 786 HG SER 109 HG SER 109 10.397 4.630 13.171 787 H ARG 110 H ARG 110 7.340 5.403 9.033 788 HA ARG 110 HA ARG 110 7.453 3.570 6.861 789 HB2 ARG 110 1HB ARG 110 6.746 5.491 5.487 790 HB3 ARG 110 2HB ARG 110 5.761 5.313 6.932 791 HG2 ARG 110 1HG ARG 110 7.435 7.039 7.942 792 HG3 ARG 110 2HG ARG 110 7.758 7.414 6.248 793 HD2 ARG 110 1HD ARG 110 5.325 7.762 5.915 794 HD3 ARG 110 2HD ARG 110 5.087 7.508 7.643 795 HE ARG 110 HE ARG 110 6.991 9.569 7.066 796 HH11 ARG 110 2HH1 ARG 110 3.602 8.846 7.399 797 HH12 ARG 110 1HH1 ARG 110 3.160 10.474 7.793 798 HH21 ARG 110 2HH2 ARG 110 6.422 11.716 7.583 799 HH22 ARG 110 1HH2 ARG 110 4.765 12.106 7.897 800 H THR 111 H THR 111 9.750 3.013 7.065 801 HA THR 111 HA THR 111 11.450 4.944 5.624 802 HB THR 111 HB THR 111 13.337 3.534 6.860 803 HG1 THR 111 1HG THR 111 11.306 3.588 8.843 804 HG21 THR 111 1HG2 THR 111 13.386 5.846 7.125 805 HG22 THR 111 2HG2 THR 111 13.125 5.271 8.772 806 HG23 THR 111 3HG2 THR 111 11.772 5.898 7.832 807 H GLN 112 H GLN 112 13.175 3.974 4.337 808 HA GLN 112 HA GLN 112 12.236 1.948 2.642 809 HB2 GLN 112 1HB GLN 112 14.850 3.342 3.011 810 HB3 GLN 112 2HB GLN 112 14.803 1.898 2.008 811 HG2 GLN 112 1HG GLN 112 13.446 2.882 0.420 812 HG3 GLN 112 2HG GLN 112 12.853 4.108 1.540 813 HE21 GLN 112 1HE2 GLN 112 13.575 6.057 1.126 814 HE22 GLN 112 2HE2 GLN 112 15.109 6.458 0.441 815 H GLU 113 H GLU 113 14.063 1.822 5.583 816 HA GLU 113 HA GLU 113 14.906 -0.923 5.168 817 HB2 GLU 113 1HB GLU 113 15.786 -0.682 7.523 818 HB3 GLU 113 2HB GLU 113 16.472 0.424 6.341 819 HG2 GLU 113 1HG GLU 113 15.071 2.216 7.142 820 HG3 GLU 113 2HG GLU 113 14.260 1.119 8.259 821 H GLU 114 H GLU 114 12.664 0.856 7.264 822 HA GLU 114 HA GLU 114 11.710 -1.457 8.620 823 HB2 GLU 114 1HB GLU 114 10.567 1.323 8.328 824 HB3 GLU 114 2HB GLU 114 9.847 0.078 9.339 825 HG2 GLU 114 1HG GLU 114 12.712 0.792 9.724 826 HG3 GLU 114 2HG GLU 114 11.458 1.855 10.358 827 H ILE 115 H ILE 115 9.980 0.692 6.356 828 HA ILE 115 HA ILE 115 7.757 -0.799 5.882 829 HB ILE 115 HB ILE 115 9.306 0.726 3.785 830 HG12 ILE 115 1HG1 ILE 115 6.932 1.720 5.345 831 HG13 ILE 115 2HG1 ILE 115 8.569 1.899 5.967 832 HG21 ILE 115 1HG2 ILE 115 6.366 0.489 3.651 833 HG22 ILE 115 2HG2 ILE 115 7.564 0.524 2.358 834 HG23 ILE 115 3HG2 ILE 115 7.291 -0.963 3.266 835 HD11 ILE 115 1HD1 ILE 115 7.748 3.903 4.806 836 HD12 ILE 115 2HD1 ILE 115 9.192 3.222 4.055 837 HD13 ILE 115 3HD1 ILE 115 7.609 2.961 3.321 838 H VAL 116 H VAL 116 10.949 -1.269 4.456 839 HA VAL 116 HA VAL 116 10.128 -3.335 2.662 840 HB VAL 116 HB VAL 116 12.814 -2.381 3.618 841 HG11 VAL 116 1HG1 VAL 116 13.523 -4.499 3.289 842 HG12 VAL 116 2HG1 VAL 116 12.134 -4.925 2.288 843 HG13 VAL 116 3HG1 VAL 116 13.479 -4.020 1.593 844 HG21 VAL 116 1HG2 VAL 116 11.321 -2.298 1.007 845 HG22 VAL 116 2HG2 VAL 116 11.847 -0.943 2.005 846 HG23 VAL 116 3HG2 VAL 116 13.038 -1.916 1.141 847 H ALA 117 H ALA 117 11.531 -3.252 5.897 848 HA ALA 117 HA ALA 117 12.189 -5.926 6.222 849 HB1 ALA 117 1HB ALA 117 11.405 -3.743 8.085 850 HB2 ALA 117 2HB ALA 117 11.492 -5.392 8.705 851 HB3 ALA 117 3HB ALA 117 12.915 -4.649 7.975 852 H LYS 118 H LYS 118 9.126 -4.347 7.156 853 HA LYS 118 HA LYS 118 7.811 -6.754 7.838 854 HB2 LYS 118 1HB LYS 118 7.019 -4.649 8.713 855 HB3 LYS 118 2HB LYS 118 6.728 -4.033 7.091 856 HG2 LYS 118 1HG LYS 118 4.635 -4.641 8.076 857 HG3 LYS 118 2HG LYS 118 5.005 -5.785 6.784 858 HD2 LYS 118 1HD LYS 118 4.351 -7.235 8.432 859 HD3 LYS 118 2HD LYS 118 6.083 -7.152 8.763 860 HE2 LYS 118 1HE LYS 118 4.894 -6.931 10.836 861 HE3 LYS 118 2HE LYS 118 5.621 -5.376 10.436 862 HZ1 LYS 118 1HZ LYS 118 3.578 -4.468 9.894 863 HZ2 LYS 118 2HZ LYS 118 3.201 -5.429 11.234 864 HZ3 LYS 118 3HZ LYS 118 2.834 -5.972 9.674 865 H VAL 119 H VAL 119 7.183 -4.610 5.052 866 HA VAL 119 HA VAL 119 5.487 -6.155 3.603 867 HB VAL 119 HB VAL 119 7.718 -4.376 2.650 868 HG11 VAL 119 1HG1 VAL 119 6.604 -4.473 0.408 869 HG12 VAL 119 2HG1 VAL 119 7.453 -5.948 0.876 870 HG13 VAL 119 3HG1 VAL 119 5.695 -5.867 0.990 871 HG21 VAL 119 1HG2 VAL 119 5.948 -2.829 2.156 872 HG22 VAL 119 2HG2 VAL 119 4.723 -4.039 2.540 873 HG23 VAL 119 3HG2 VAL 119 5.753 -3.392 3.816 874 H ARG 120 H ARG 120 8.825 -6.786 4.220 875 HA ARG 120 HA ARG 120 9.079 -8.740 2.097 876 HB2 ARG 120 1HB ARG 120 10.889 -7.641 4.208 877 HB3 ARG 120 2HB ARG 120 11.291 -9.181 3.460 878 HG2 ARG 120 1HG ARG 120 11.299 -8.131 1.265 879 HG3 ARG 120 2HG ARG 120 10.853 -6.587 1.994 880 HD2 ARG 120 1HD ARG 120 13.211 -6.567 1.604 881 HD3 ARG 120 2HD ARG 120 12.946 -6.701 3.342 882 HE ARG 120 HE ARG 120 14.105 -8.695 1.592 883 HH11 ARG 120 2HH1 ARG 120 12.688 -8.000 4.695 884 HH12 ARG 120 1HH1 ARG 120 13.389 -9.382 5.471 885 HH21 ARG 120 2HH2 ARG 120 15.033 -10.518 2.602 886 HH22 ARG 120 1HH2 ARG 120 14.724 -10.812 4.280 887 H GLU 121 H GLU 121 8.693 -8.690 5.604 888 HA GLU 121 HA GLU 121 8.977 -11.490 5.976 889 HB2 GLU 121 1HB GLU 121 8.550 -11.091 8.194 890 HB3 GLU 121 2HB GLU 121 9.036 -9.480 7.687 891 HG2 GLU 121 1HG GLU 121 6.707 -8.822 7.478 892 HG3 GLU 121 2HG GLU 121 6.196 -10.447 7.934 893 H VAL 122 H VAL 122 6.199 -9.366 5.474 894 HA VAL 122 HA VAL 122 4.233 -11.394 5.838 895 HB VAL 122 HB VAL 122 3.937 -8.814 4.298 896 HG11 VAL 122 1HG1 VAL 122 1.961 -9.798 3.843 897 HG12 VAL 122 2HG1 VAL 122 2.092 -10.928 5.192 898 HG13 VAL 122 3HG1 VAL 122 1.553 -9.273 5.476 899 HG21 VAL 122 1HG2 VAL 122 3.258 -9.214 7.196 900 HG22 VAL 122 2HG2 VAL 122 4.838 -8.625 6.679 901 HG23 VAL 122 3HG2 VAL 122 3.384 -7.704 6.292 902 H SER 123 H SER 123 6.102 -10.251 3.119 903 HA SER 123 HA SER 123 4.550 -11.330 1.037 904 HB2 SER 123 1HB SER 123 6.410 -10.935 -0.372 905 HB3 SER 123 2HB SER 123 6.510 -9.687 0.870 906 HG SER 123 HG SER 123 8.409 -10.444 1.303 907 H GLN 124 H GLN 124 6.891 -12.753 3.200 908 HA GLN 124 HA GLN 124 7.467 -15.102 1.789 909 HB2 GLN 124 1HB GLN 124 7.297 -14.757 4.787 910 HB3 GLN 124 2HB GLN 124 8.160 -16.029 3.933 911 HG2 GLN 124 1HG GLN 124 8.798 -13.089 3.892 912 HG3 GLN 124 2HG GLN 124 9.705 -14.355 4.718 913 HE21 GLN 124 1HE2 GLN 124 10.116 -12.382 2.357 914 HE22 GLN 124 2HE2 GLN 124 10.893 -13.368 1.170 915 HA PRO 125 HA PRO 125 3.668 -17.330 1.932 916 HB2 PRO 125 1HB PRO 125 4.648 -19.825 1.501 917 HB3 PRO 125 2HB PRO 125 4.533 -18.604 0.227 918 HG2 PRO 125 1HG PRO 125 6.905 -19.418 1.862 919 HG3 PRO 125 2HG PRO 125 6.806 -19.086 0.123 920 HD2 PRO 125 1HD PRO 125 7.767 -17.281 1.899 921 HD3 PRO 125 2HD PRO 125 6.898 -16.803 0.427 922 H ASP 126 H ASP 126 6.380 -18.182 3.978 923 HA ASP 126 HA ASP 126 4.853 -19.977 5.637 924 HB2 ASP 126 1HB ASP 126 7.630 -18.822 5.810 925 HB3 ASP 126 2HB ASP 126 6.942 -19.772 7.124 926 H TRP 127 H TRP 127 5.956 -16.633 5.790 927 HA TRP 127 HA TRP 127 5.467 -15.958 8.391 928 HB2 TRP 127 1HB TRP 127 6.343 -14.270 6.998 929 HB3 TRP 127 2HB TRP 127 5.020 -14.416 5.844 930 HD1 TRP 127 HD TRP 127 6.108 -12.460 8.826 931 HE1 TRP 127 1HE TRP 127 4.246 -10.833 9.540 932 HE3 TRP 127 3HE TRP 127 2.283 -14.302 5.978 933 HZ2 TRP 127 2HZ TRP 127 1.517 -10.389 8.972 934 HZ3 TRP 127 3HZ TRP 127 0.078 -13.219 6.122 935 HH2 TRP 127 HH TRP 127 -0.295 -11.303 7.589 936 H THR 128 H THR 128 3.664 -14.993 9.486 937 HA THR 128 HA THR 128 1.026 -15.611 8.356 938 HB THR 128 HB THR 128 0.338 -16.383 10.692 939 HG1 THR 128 1HG THR 128 3.153 -16.779 10.932 940 HG21 THR 128 1HG2 THR 128 0.624 -17.885 8.732 941 HG22 THR 128 2HG2 THR 128 0.995 -18.668 10.268 942 HG23 THR 128 3HG2 THR 128 2.302 -18.134 9.211 943 HA PRO 129 HA PRO 129 -0.073 -11.630 9.865 944 HB2 PRO 129 1HB PRO 129 -2.753 -11.959 10.148 945 HB3 PRO 129 2HB PRO 129 -1.964 -11.816 8.573 946 HG2 PRO 129 1HG PRO 129 -2.870 -14.274 10.021 947 HG3 PRO 129 2HG PRO 129 -3.037 -13.862 8.304 948 HD2 PRO 129 1HD PRO 129 -1.119 -15.540 9.221 949 HD3 PRO 129 2HD PRO 129 -0.871 -14.482 7.816 950 HA PRO 130 HA PRO 130 -0.243 -11.761 14.265 951 HB2 PRO 130 1HB PRO 130 -1.292 -9.309 14.775 952 HB3 PRO 130 2HB PRO 130 0.369 -9.547 14.218 953 HG2 PRO 130 1HG PRO 130 -2.061 -8.772 12.651 954 HG3 PRO 130 2HG PRO 130 -0.415 -8.120 12.558 955 HD2 PRO 130 1HD PRO 130 -1.371 -9.924 10.779 956 HD3 PRO 130 2HD PRO 130 0.338 -9.867 11.257 957 HA PRO 131 HA PRO 131 -4.286 -13.072 15.445 958 HB2 PRO 131 1HB PRO 131 -4.053 -12.850 18.141 959 HB3 PRO 131 2HB PRO 131 -3.267 -14.132 17.211 960 HG2 PRO 131 1HG PRO 131 -2.118 -11.572 18.255 961 HG3 PRO 131 2HG PRO 131 -1.414 -13.200 18.262 962 HD2 PRO 131 1HD PRO 131 -0.717 -11.320 16.443 963 HD3 PRO 131 2HD PRO 131 -0.738 -13.054 16.064 964 H GLU 132 H GLU 132 -3.261 -9.936 15.579 965 HA GLU 132 HA GLU 132 -5.139 -8.706 17.284 966 HB2 GLU 132 1HB GLU 132 -3.009 -7.734 16.157 967 HB3 GLU 132 2HB GLU 132 -4.078 -7.381 14.807 968 HG2 GLU 132 1HG GLU 132 -4.830 -6.495 17.552 969 HG3 GLU 132 2HG GLU 132 -3.629 -5.588 16.634 970 H VAL 133 H VAL 133 -7.058 -9.957 16.738 971 HA VAL 133 HA VAL 133 -8.326 -9.207 14.200 972 HB VAL 133 HB VAL 133 -8.316 -11.590 14.647 973 HG11 VAL 133 1HG1 VAL 133 -10.124 -11.910 16.765 974 HG12 VAL 133 2HG1 VAL 133 -8.408 -12.320 16.744 975 HG13 VAL 133 3HG1 VAL 133 -8.931 -10.737 17.320 976 HG21 VAL 133 1HG2 VAL 133 -11.008 -10.265 14.892 977 HG22 VAL 133 2HG2 VAL 133 -10.213 -10.846 13.429 978 HG23 VAL 133 3HG2 VAL 133 -10.804 -11.997 14.627 979 H THR 134 H THR 134 -10.075 -7.921 14.109 980 HA THR 134 HA THR 134 -11.547 -7.309 16.562 981 HB THR 134 HB THR 134 -10.471 -5.132 14.759 982 HG1 THR 134 1HG THR 134 -9.527 -6.261 17.156 983 HG21 THR 134 1HG2 THR 134 -11.687 -3.646 15.949 984 HG22 THR 134 2HG2 THR 134 -11.471 -4.525 17.462 985 HG23 THR 134 3HG2 THR 134 -12.695 -5.047 16.306 986 H SER 135 H SER 135 -13.682 -6.809 16.250 987 HA SER 135 HA SER 135 -15.146 -7.817 14.247 988 HB2 SER 135 1HB SER 135 -16.949 -6.314 14.833 989 HB3 SER 135 2HB SER 135 -16.060 -6.719 16.301 990 HG SER 135 HG SER 135 -15.512 -4.700 16.509 991 H GLY 136 H GLY 136 -15.592 -7.439 12.157 992 HA2 GLY 136 1HA GLY 136 -15.823 -5.114 10.776 993 HA3 GLY 136 2HA GLY 136 -14.089 -5.398 10.780 994 HA PRO 137 HA PRO 137 -16.247 -7.685 7.252 995 HB2 PRO 137 1HB PRO 137 -15.135 -6.277 5.214 996 HB3 PRO 137 2HB PRO 137 -16.662 -5.819 5.978 997 HG2 PRO 137 1HG PRO 137 -13.912 -4.731 6.440 998 HG3 PRO 137 2HG PRO 137 -15.449 -3.860 6.289 999 HD2 PRO 137 1HD PRO 137 -14.296 -4.377 8.684 1000 HD3 PRO 137 2HD PRO 137 -16.056 -4.301 8.468 1001 H SER 138 H SER 138 -15.128 -9.552 7.286 1002 HA SER 138 HA SER 138 -12.442 -9.548 6.123 1003 HB2 SER 138 1HB SER 138 -13.124 -11.093 8.634 1004 HB3 SER 138 2HB SER 138 -11.555 -11.014 7.832 1005 HG SER 138 HG SER 138 -11.375 -9.523 9.384 1006 H SER 139 H SER 139 -12.597 -10.783 4.380 1007 HA SER 139 HA SER 139 -14.157 -13.277 4.563 1008 HB2 SER 139 1HB SER 139 -14.806 -13.029 2.247 1009 HB3 SER 139 2HB SER 139 -15.225 -11.547 3.105 1010 HG SER 139 HG SER 139 -12.919 -11.958 1.499 1011 H GLY 140 H GLY 140 -11.133 -12.094 4.432 1012 HA2 GLY 140 1HA GLY 140 -10.027 -13.881 2.436 1013 HA3 GLY 140 2HA GLY 140 -9.125 -12.794 3.481 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -9.784 -25.608 -16.270 2 HA2 GLY 1 1HA GLY 1 -8.083 -24.106 -14.854 3 HA3 GLY 1 2HA GLY 1 -9.101 -23.392 -16.095 4 H SER 2 H SER 2 -8.621 -23.848 -12.680 5 HA SER 2 HA SER 2 -11.005 -22.356 -11.973 6 HB2 SER 2 1HB SER 2 -9.933 -22.590 -9.617 7 HB3 SER 2 2HB SER 2 -10.557 -24.038 -10.407 8 HG SER 2 HG SER 2 -7.871 -23.290 -10.763 9 H SER 3 H SER 3 -8.474 -21.294 -13.431 10 HA SER 3 HA SER 3 -8.318 -18.821 -11.852 11 HB2 SER 3 1HB SER 3 -6.253 -20.404 -11.680 12 HB3 SER 3 2HB SER 3 -5.898 -19.841 -13.312 13 HG SER 3 HG SER 3 -5.199 -18.649 -11.159 14 H GLY 4 H GLY 4 -7.559 -20.322 -14.991 15 HA2 GLY 4 1HA GLY 4 -8.493 -19.519 -17.038 16 HA3 GLY 4 2HA GLY 4 -8.665 -17.934 -16.298 17 H SER 5 H SER 5 -6.889 -19.737 -18.444 18 HA SER 5 HA SER 5 -4.282 -18.697 -18.029 19 HB2 SER 5 1HB SER 5 -4.691 -20.737 -19.344 20 HB3 SER 5 2HB SER 5 -5.536 -19.783 -20.564 21 HG SER 5 HG SER 5 -3.503 -19.930 -21.321 22 H SER 6 H SER 6 -4.524 -16.459 -17.735 23 HA SER 6 HA SER 6 -4.307 -14.915 -20.113 24 HB2 SER 6 1HB SER 6 -6.800 -15.225 -19.959 25 HB3 SER 6 2HB SER 6 -6.757 -14.347 -18.431 26 HG SER 6 HG SER 6 -7.231 -13.034 -20.306 27 H GLY 7 H GLY 7 -3.527 -12.827 -19.727 28 HA2 GLY 7 1HA GLY 7 -3.277 -11.936 -16.957 29 HA3 GLY 7 2HA GLY 7 -1.783 -12.291 -17.810 30 H ASP 8 H ASP 8 -4.698 -10.831 -19.164 31 HA ASP 8 HA ASP 8 -3.792 -8.153 -19.023 32 HB2 ASP 8 1HB ASP 8 -3.248 -7.791 -21.390 33 HB3 ASP 8 2HB ASP 8 -2.133 -8.937 -20.649 34 H ASP 9 H ASP 9 -5.462 -6.809 -19.369 35 HA ASP 9 HA ASP 9 -7.567 -7.366 -21.219 36 HB2 ASP 9 1HB ASP 9 -8.077 -7.726 -18.266 37 HB3 ASP 9 2HB ASP 9 -9.367 -7.394 -19.419 38 H ASP 10 H ASP 10 -9.442 -5.732 -20.818 39 HA ASP 10 HA ASP 10 -8.645 -3.199 -21.235 40 HB2 ASP 10 1HB ASP 10 -11.046 -4.232 -21.094 41 HB3 ASP 10 2HB ASP 10 -11.024 -3.592 -19.452 42 H LEU 11 H LEU 11 -9.229 -4.605 -18.028 43 HA LEU 11 HA LEU 11 -8.691 -2.299 -16.526 44 HB2 LEU 11 1HB LEU 11 -8.221 -5.171 -15.742 45 HB3 LEU 11 2HB LEU 11 -8.366 -3.802 -14.642 46 HG LEU 11 HG LEU 11 -10.577 -4.829 -16.420 47 HD11 LEU 11 1HD1 LEU 11 -11.255 -5.175 -13.744 48 HD12 LEU 11 2HD1 LEU 11 -9.593 -5.749 -13.870 49 HD13 LEU 11 3HD1 LEU 11 -10.843 -6.433 -14.909 50 HD21 LEU 11 1HD2 LEU 11 -10.289 -2.533 -14.565 51 HD22 LEU 11 2HD2 LEU 11 -11.822 -3.404 -14.556 52 HD23 LEU 11 3HD2 LEU 11 -11.228 -2.681 -16.051 53 H GLU 12 H GLU 12 -6.866 -1.297 -17.451 54 HA GLU 12 HA GLU 12 -4.313 -2.701 -17.265 55 HB2 GLU 12 1HB GLU 12 -4.983 -1.318 -19.286 56 HB3 GLU 12 2HB GLU 12 -4.787 0.103 -18.270 57 HG2 GLU 12 1HG GLU 12 -2.532 -1.815 -18.403 58 HG3 GLU 12 2HG GLU 12 -2.847 -0.811 -19.817 59 H VAL 13 H VAL 13 -2.430 -1.314 -16.457 60 HA VAL 13 HA VAL 13 -3.201 0.353 -14.170 61 HB VAL 13 HB VAL 13 -1.217 -1.919 -13.999 62 HG11 VAL 13 1HG1 VAL 13 -0.347 -0.361 -12.547 63 HG12 VAL 13 2HG1 VAL 13 -1.927 0.326 -12.166 64 HG13 VAL 13 3HG1 VAL 13 -1.455 -1.232 -11.487 65 HG21 VAL 13 1HG2 VAL 13 -2.799 -3.210 -13.064 66 HG22 VAL 13 2HG2 VAL 13 -3.523 -1.863 -12.186 67 HG23 VAL 13 3HG2 VAL 13 -3.927 -2.129 -13.882 68 H LYS 14 H LYS 14 -1.825 2.016 -13.727 69 HA LYS 14 HA LYS 14 0.242 2.539 -15.708 70 HB2 LYS 14 1HB LYS 14 -0.866 4.278 -13.496 71 HB3 LYS 14 2HB LYS 14 0.299 4.800 -14.705 72 HG2 LYS 14 1HG LYS 14 -1.568 5.559 -15.717 73 HG3 LYS 14 2HG LYS 14 -1.617 3.906 -16.334 74 HD2 LYS 14 1HD LYS 14 -3.024 3.366 -14.271 75 HD3 LYS 14 2HD LYS 14 -3.192 5.112 -14.075 76 HE2 LYS 14 1HE LYS 14 -5.041 4.706 -15.342 77 HE3 LYS 14 2HE LYS 14 -3.867 4.959 -16.632 78 HZ1 LYS 14 1HZ LYS 14 -4.448 2.268 -15.548 79 HZ2 LYS 14 2HZ LYS 14 -3.689 2.670 -17.006 80 HZ3 LYS 14 3HZ LYS 14 -5.349 2.936 -16.815 81 H GLU 15 H GLU 15 2.179 3.877 -14.666 82 HA GLU 15 HA GLU 15 3.105 2.792 -12.154 83 HB2 GLU 15 1HB GLU 15 5.121 1.763 -13.055 84 HB3 GLU 15 2HB GLU 15 3.689 0.997 -13.728 85 HG2 GLU 15 1HG GLU 15 5.401 3.056 -15.102 86 HG3 GLU 15 2HG GLU 15 5.400 1.322 -15.420 87 H GLU 16 H GLU 16 4.528 4.126 -11.165 88 HA GLU 16 HA GLU 16 5.661 6.328 -12.759 89 HB2 GLU 16 1HB GLU 16 5.410 7.533 -10.383 90 HB3 GLU 16 2HB GLU 16 4.149 7.578 -11.608 91 HG2 GLU 16 1HG GLU 16 4.086 5.317 -9.705 92 HG3 GLU 16 2HG GLU 16 3.688 6.914 -9.073 93 H ASN 17 H ASN 17 7.774 6.732 -12.475 94 HA ASN 17 HA ASN 17 9.934 6.083 -11.960 95 HB2 ASN 17 1HB ASN 17 10.198 6.552 -9.330 96 HB3 ASN 17 2HB ASN 17 10.028 7.845 -10.513 97 HD21 ASN 17 1HD2 ASN 17 8.634 9.338 -9.962 98 HD22 ASN 17 2HD2 ASN 17 7.217 9.113 -8.998 99 H GLY 18 H GLY 18 8.079 3.838 -11.926 100 HA2 GLY 18 1HA GLY 18 8.544 1.570 -11.549 101 HA3 GLY 18 2HA GLY 18 9.710 2.037 -10.320 102 H VAL 19 H VAL 19 6.342 3.074 -10.546 103 HA VAL 19 HA VAL 19 5.650 1.374 -8.267 104 HB VAL 19 HB VAL 19 5.074 4.338 -8.278 105 HG11 VAL 19 1HG1 VAL 19 4.601 2.163 -6.246 106 HG12 VAL 19 2HG1 VAL 19 4.441 3.887 -5.905 107 HG13 VAL 19 3HG1 VAL 19 3.387 3.121 -7.095 108 HG21 VAL 19 1HG2 VAL 19 7.294 4.418 -7.780 109 HG22 VAL 19 2HG2 VAL 19 6.670 4.063 -6.169 110 HG23 VAL 19 3HG2 VAL 19 7.330 2.765 -7.164 111 H TRP 20 H TRP 20 3.971 0.244 -8.989 112 HA TRP 20 HA TRP 20 2.277 1.046 -11.095 113 HB2 TRP 20 1HB TRP 20 1.733 -1.045 -8.976 114 HB3 TRP 20 2HB TRP 20 0.953 -0.922 -10.551 115 HD1 TRP 20 HD TRP 20 3.826 -2.535 -8.848 116 HE1 TRP 20 1HE TRP 20 5.337 -3.716 -10.566 117 HE3 TRP 20 3HE TRP 20 1.895 -0.534 -13.138 118 HZ2 TRP 20 2HZ TRP 20 5.666 -3.788 -13.368 119 HZ3 TRP 20 3HZ TRP 20 2.864 -1.211 -15.296 120 HH2 TRP 20 HH TRP 20 4.711 -2.804 -15.406 121 H VAL 21 H VAL 21 0.003 1.510 -11.029 122 HA VAL 21 HA VAL 21 -0.821 2.871 -8.546 123 HB VAL 21 HB VAL 21 -1.443 3.621 -11.405 124 HG11 VAL 21 1HG1 VAL 21 -3.390 3.903 -9.896 125 HG12 VAL 21 2HG1 VAL 21 -2.407 4.959 -8.880 126 HG13 VAL 21 3HG1 VAL 21 -2.779 5.427 -10.540 127 HG21 VAL 21 1HG2 VAL 21 -0.194 5.439 -9.400 128 HG22 VAL 21 2HG2 VAL 21 0.803 4.211 -10.180 129 HG23 VAL 21 3HG2 VAL 21 -0.033 5.418 -11.156 130 H LEU 22 H LEU 22 -2.062 1.285 -7.638 131 HA LEU 22 HA LEU 22 -4.055 -0.105 -9.223 132 HB2 LEU 22 1HB LEU 22 -3.360 -0.252 -6.295 133 HB3 LEU 22 2HB LEU 22 -4.571 -1.258 -7.088 134 HG LEU 22 HG LEU 22 -1.584 -1.314 -7.434 135 HD11 LEU 22 1HD1 LEU 22 -2.139 -3.798 -7.018 136 HD12 LEU 22 2HD1 LEU 22 -3.676 -3.190 -6.405 137 HD13 LEU 22 3HD1 LEU 22 -2.164 -2.681 -5.653 138 HD21 LEU 22 1HD2 LEU 22 -3.737 -2.402 -9.216 139 HD22 LEU 22 2HD2 LEU 22 -2.153 -3.170 -9.113 140 HD23 LEU 22 3HD2 LEU 22 -2.289 -1.496 -9.652 141 H ASN 23 H ASN 23 -6.313 -0.238 -8.433 142 HA ASN 23 HA ASN 23 -7.422 1.676 -6.695 143 HB2 ASN 23 1HB ASN 23 -8.664 2.849 -8.752 144 HB3 ASN 23 2HB ASN 23 -7.155 3.470 -8.089 145 HD21 ASN 23 1HD2 ASN 23 -8.467 1.349 -10.584 146 HD22 ASN 23 2HD2 ASN 23 -7.204 1.622 -11.731 147 H ASP 24 H ASP 24 -9.813 1.716 -6.806 148 HA ASP 24 HA ASP 24 -10.971 -0.738 -6.782 149 HB2 ASP 24 1HB ASP 24 -12.071 1.315 -5.972 150 HB3 ASP 24 2HB ASP 24 -12.343 1.819 -7.638 151 H GLY 25 H GLY 25 -10.104 1.093 -9.572 152 HA2 GLY 25 1HA GLY 25 -11.840 -0.260 -11.413 153 HA3 GLY 25 2HA GLY 25 -10.481 0.774 -11.828 154 H ASN 26 H ASN 26 -8.433 -0.595 -10.494 155 HA ASN 26 HA ASN 26 -8.456 -3.260 -11.725 156 HB2 ASN 26 1HB ASN 26 -5.906 -2.617 -12.201 157 HB3 ASN 26 2HB ASN 26 -7.188 -2.291 -13.364 158 HD21 ASN 26 1HD2 ASN 26 -4.877 -0.952 -11.212 159 HD22 ASN 26 2HD2 ASN 26 -5.152 0.710 -11.598 160 H PHE 27 H PHE 27 -8.877 -2.747 -9.036 161 HA PHE 27 HA PHE 27 -6.357 -3.119 -7.643 162 HB2 PHE 27 1HB PHE 27 -8.149 -1.690 -6.684 163 HB3 PHE 27 2HB PHE 27 -9.176 -3.114 -6.545 164 HD1 PHE 27 2HD PHE 27 -8.690 -4.843 -4.900 165 HD2 PHE 27 1HD PHE 27 -6.326 -1.314 -5.173 166 HE1 PHE 27 2HE PHE 27 -7.736 -5.314 -2.682 167 HE2 PHE 27 1HE PHE 27 -5.367 -1.780 -2.956 168 HZ PHE 27 HZ PHE 27 -6.073 -3.782 -1.706 169 H ASP 28 H ASP 28 -9.461 -4.871 -7.519 170 HA ASP 28 HA ASP 28 -8.411 -7.226 -6.438 171 HB2 ASP 28 1HB ASP 28 -10.857 -6.513 -6.594 172 HB3 ASP 28 2HB ASP 28 -10.823 -7.125 -8.246 173 H ASN 29 H ASN 29 -9.119 -6.390 -9.820 174 HA ASN 29 HA ASN 29 -8.461 -8.781 -11.032 175 HB2 ASN 29 1HB ASN 29 -9.400 -6.657 -12.099 176 HB3 ASN 29 2HB ASN 29 -7.732 -6.102 -12.210 177 HD21 ASN 29 1HD2 ASN 29 -10.054 -8.448 -13.318 178 HD22 ASN 29 2HD2 ASN 29 -9.159 -8.974 -14.699 179 H PHE 30 H PHE 30 -6.330 -6.176 -9.970 180 HA PHE 30 HA PHE 30 -3.956 -7.254 -11.092 181 HB2 PHE 30 1HB PHE 30 -4.316 -4.860 -10.350 182 HB3 PHE 30 2HB PHE 30 -4.133 -5.428 -8.694 183 HD1 PHE 30 1HD PHE 30 -2.401 -5.196 -11.959 184 HD2 PHE 30 2HD PHE 30 -2.013 -5.720 -7.752 185 HE1 PHE 30 1HE PHE 30 0.041 -4.969 -12.158 186 HE2 PHE 30 2HE PHE 30 0.429 -5.492 -7.945 187 HZ PHE 30 HZ PHE 30 1.459 -5.116 -10.150 188 H VAL 31 H VAL 31 -4.987 -7.078 -7.679 189 HA VAL 31 HA VAL 31 -3.017 -8.846 -6.723 190 HB VAL 31 HB VAL 31 -4.235 -8.909 -4.659 191 HG11 VAL 31 1HG1 VAL 31 -3.301 -6.863 -4.551 192 HG12 VAL 31 2HG1 VAL 31 -3.949 -6.369 -6.116 193 HG13 VAL 31 3HG1 VAL 31 -4.970 -6.308 -4.679 194 HG21 VAL 31 1HG2 VAL 31 -6.570 -7.418 -5.143 195 HG22 VAL 31 2HG2 VAL 31 -6.517 -8.678 -6.376 196 HG23 VAL 31 3HG2 VAL 31 -6.448 -9.112 -4.668 197 H ALA 32 H ALA 32 -5.694 -9.466 -8.630 198 HA ALA 32 HA ALA 32 -6.716 -11.865 -7.660 199 HB1 ALA 32 1HB ALA 32 -7.486 -10.409 -9.646 200 HB2 ALA 32 2HB ALA 32 -6.369 -11.390 -10.596 201 HB3 ALA 32 3HB ALA 32 -7.707 -12.156 -9.740 202 H ASP 33 H ASP 33 -3.943 -11.288 -9.795 203 HA ASP 33 HA ASP 33 -3.207 -14.124 -9.508 204 HB2 ASP 33 1HB ASP 33 -2.220 -12.137 -11.565 205 HB3 ASP 33 2HB ASP 33 -1.877 -13.864 -11.525 206 H LYS 34 H LYS 34 -2.706 -12.455 -7.358 207 HA LYS 34 HA LYS 34 0.178 -12.663 -7.198 208 HB2 LYS 34 1HB LYS 34 -1.251 -10.023 -6.861 209 HB3 LYS 34 2HB LYS 34 0.391 -10.322 -6.305 210 HG2 LYS 34 1HG LYS 34 0.872 -10.991 -8.738 211 HG3 LYS 34 2HG LYS 34 -0.648 -10.174 -9.108 212 HD2 LYS 34 1HD LYS 34 0.164 -8.099 -8.323 213 HD3 LYS 34 2HD LYS 34 1.554 -8.855 -7.539 214 HE2 LYS 34 1HE LYS 34 2.038 -9.642 -10.029 215 HE3 LYS 34 2HE LYS 34 1.099 -8.198 -10.401 216 HZ1 LYS 34 1HZ LYS 34 2.639 -6.837 -9.315 217 HZ2 LYS 34 2HZ LYS 34 3.591 -7.924 -10.194 218 HZ3 LYS 34 3HZ LYS 34 3.388 -8.134 -8.528 219 H ASP 35 H ASP 35 0.792 -13.307 -5.225 220 HA ASP 35 HA ASP 35 -1.221 -13.725 -3.209 221 HB2 ASP 35 1HB ASP 35 0.802 -14.654 -1.920 222 HB3 ASP 35 2HB ASP 35 0.312 -15.498 -3.386 223 H THR 36 H THR 36 1.897 -11.995 -3.279 224 HA THR 36 HA THR 36 0.924 -10.340 -1.044 225 HB THR 36 HB THR 36 3.811 -10.704 -1.848 226 HG1 THR 36 1HG THR 36 2.125 -12.313 -0.333 227 HG21 THR 36 1HG2 THR 36 3.993 -10.047 0.674 228 HG22 THR 36 2HG2 THR 36 2.374 -9.395 0.425 229 HG23 THR 36 3HG2 THR 36 3.723 -8.797 -0.540 230 H VAL 37 H VAL 37 0.431 -8.307 -1.510 231 HA VAL 37 HA VAL 37 1.926 -6.912 -3.613 232 HB VAL 37 HB VAL 37 -1.086 -6.841 -3.384 233 HG11 VAL 37 1HG1 VAL 37 0.828 -5.074 -4.611 234 HG12 VAL 37 2HG1 VAL 37 -0.250 -5.769 -5.823 235 HG13 VAL 37 3HG1 VAL 37 -0.918 -4.894 -4.444 236 HG21 VAL 37 1HG2 VAL 37 -1.226 -8.471 -4.900 237 HG22 VAL 37 2HG2 VAL 37 0.024 -7.743 -5.909 238 HG23 VAL 37 3HG2 VAL 37 0.476 -8.795 -4.569 239 H LEU 38 H LEU 38 2.741 -5.105 -2.806 240 HA LEU 38 HA LEU 38 1.815 -4.032 -0.306 241 HB2 LEU 38 1HB LEU 38 4.148 -3.984 -0.657 242 HB3 LEU 38 2HB LEU 38 3.968 -3.238 -2.243 243 HG LEU 38 HG LEU 38 3.091 -1.192 -1.025 244 HD11 LEU 38 1HD1 LEU 38 3.373 -0.950 1.264 245 HD12 LEU 38 2HD1 LEU 38 4.475 -2.322 1.376 246 HD13 LEU 38 3HD1 LEU 38 2.753 -2.595 1.114 247 HD21 LEU 38 1HD2 LEU 38 5.400 -1.499 -1.982 248 HD22 LEU 38 2HD2 LEU 38 5.931 -1.938 -0.358 249 HD23 LEU 38 3HD2 LEU 38 5.272 -0.330 -0.667 250 H LEU 39 H LEU 39 0.476 -2.368 0.027 251 HA LEU 39 HA LEU 39 -0.257 -0.688 -2.278 252 HB2 LEU 39 1HB LEU 39 -2.195 -1.387 -0.103 253 HB3 LEU 39 2HB LEU 39 -2.523 -0.746 -1.711 254 HG LEU 39 HG LEU 39 -1.403 -3.505 -1.339 255 HD11 LEU 39 1HD1 LEU 39 -4.327 -2.774 -1.391 256 HD12 LEU 39 2HD1 LEU 39 -3.441 -3.315 0.035 257 HD13 LEU 39 3HD1 LEU 39 -3.644 -4.400 -1.341 258 HD21 LEU 39 1HD2 LEU 39 -1.373 -2.442 -3.575 259 HD22 LEU 39 2HD2 LEU 39 -3.128 -2.291 -3.494 260 HD23 LEU 39 3HD2 LEU 39 -2.380 -3.888 -3.507 261 H GLU 40 H GLU 40 -0.259 1.461 -1.947 262 HA GLU 40 HA GLU 40 -0.072 2.440 0.820 263 HB2 GLU 40 1HB GLU 40 2.171 2.499 -0.022 264 HB3 GLU 40 2HB GLU 40 1.646 3.232 -1.531 265 HG2 GLU 40 1HG GLU 40 0.778 5.114 0.113 266 HG3 GLU 40 2HG GLU 40 2.054 4.457 1.136 267 H PHE 41 H PHE 41 -1.600 3.874 1.260 268 HA PHE 41 HA PHE 41 -3.098 5.092 -0.916 269 HB2 PHE 41 1HB PHE 41 -3.579 5.257 2.066 270 HB3 PHE 41 2HB PHE 41 -4.696 5.750 0.798 271 HD1 PHE 41 2HD PHE 41 -3.028 2.842 2.343 272 HD2 PHE 41 1HD PHE 41 -6.120 4.195 -0.250 273 HE1 PHE 41 2HE PHE 41 -3.995 0.580 2.321 274 HE2 PHE 41 1HE PHE 41 -7.093 1.935 -0.275 275 HZ PHE 41 HZ PHE 41 -6.030 0.124 1.011 276 H TYR 42 H TYR 42 -3.343 7.297 -1.227 277 HA TYR 42 HA TYR 42 -1.914 9.167 0.463 278 HB2 TYR 42 1HB TYR 42 -0.418 9.994 -1.177 279 HB3 TYR 42 2HB TYR 42 -0.252 8.242 -1.232 280 HD1 TYR 42 2HD TYR 42 -1.870 11.120 -2.931 281 HD2 TYR 42 1HD TYR 42 -0.616 7.066 -3.233 282 HE1 TYR 42 2HE TYR 42 -2.348 11.158 -5.343 283 HE2 TYR 42 1HE TYR 42 -1.090 7.092 -5.646 284 HH TYR 42 HH TYR 42 -1.437 8.522 -7.438 285 H ALA 43 H ALA 43 -2.114 11.455 -0.544 286 HA ALA 43 HA ALA 43 -4.718 11.717 -1.893 287 HB1 ALA 43 1HB ALA 43 -5.301 13.581 -0.463 288 HB2 ALA 43 2HB ALA 43 -4.972 12.151 0.516 289 HB3 ALA 43 3HB ALA 43 -3.767 13.433 0.397 290 HA PRO 44 HA PRO 44 -2.491 14.316 -4.679 291 HB2 PRO 44 1HB PRO 44 -4.614 15.546 -5.840 292 HB3 PRO 44 2HB PRO 44 -4.169 13.871 -6.183 293 HG2 PRO 44 1HG PRO 44 -6.279 14.931 -4.343 294 HG3 PRO 44 2HG PRO 44 -6.364 13.570 -5.478 295 HD2 PRO 44 1HD PRO 44 -5.978 13.228 -2.820 296 HD3 PRO 44 2HD PRO 44 -5.284 12.135 -4.034 297 H TRP 45 H TRP 45 -4.892 15.619 -2.468 298 HA TRP 45 HA TRP 45 -3.964 18.342 -2.838 299 HB2 TRP 45 1HB TRP 45 -5.624 18.719 -0.876 300 HB3 TRP 45 2HB TRP 45 -6.264 18.291 -2.461 301 HD1 TRP 45 HD TRP 45 -7.865 16.283 -2.527 302 HE1 TRP 45 1HE TRP 45 -8.538 14.421 -0.882 303 HE3 TRP 45 3HE TRP 45 -4.482 17.222 1.189 304 HZ2 TRP 45 2HZ TRP 45 -7.740 13.476 1.656 305 HZ3 TRP 45 3HZ TRP 45 -4.503 15.793 3.192 306 HH2 TRP 45 HH TRP 45 -6.100 13.960 3.419 307 H CYS 46 H CYS 46 -2.850 15.721 -1.183 308 HA CYS 46 HA CYS 46 -1.899 17.254 1.124 309 HB2 CYS 46 1HB CYS 46 -2.944 14.956 1.391 310 HB3 CYS 46 2HB CYS 46 -1.510 14.305 0.608 311 HG CYS 46 HG CYS 46 -1.329 13.901 3.381 312 H GLY 47 H GLY 47 -0.227 18.489 0.386 313 HA2 GLY 47 1HA GLY 47 1.702 17.686 -1.496 314 HA3 GLY 47 2HA GLY 47 1.884 19.005 -0.350 315 H HIS 48 H HIS 48 1.467 17.127 1.931 316 HA HIS 48 HA HIS 48 4.043 16.686 2.716 317 HB2 HIS 48 1HB HIS 48 1.556 15.113 3.393 318 HB3 HIS 48 2HB HIS 48 3.098 14.867 4.207 319 HD1 HIS 48 1HD HIS 48 1.981 15.633 6.442 320 HD2 HIS 48 2HD HIS 48 2.112 18.540 3.477 321 HE1 HIS 48 1HE HIS 48 1.471 17.803 7.606 322 HE2 HIS 48 2HE HIS 48 1.472 19.536 5.777 323 H CYS 49 H CYS 49 1.972 14.452 0.907 324 HA CYS 49 HA CYS 49 3.738 12.274 0.856 325 HB2 CYS 49 1HB CYS 49 1.477 11.887 0.233 326 HB3 CYS 49 2HB CYS 49 1.529 13.132 -1.009 327 HG CYS 49 HG CYS 49 1.397 10.482 -2.093 328 H LYS 50 H LYS 50 3.602 15.198 -1.035 329 HA LYS 50 HA LYS 50 5.002 14.596 -3.300 330 HB2 LYS 50 1HB LYS 50 5.402 17.057 -1.588 331 HB3 LYS 50 2HB LYS 50 5.815 16.909 -3.291 332 HG2 LYS 50 1HG LYS 50 3.008 16.450 -2.373 333 HG3 LYS 50 2HG LYS 50 3.620 18.088 -2.615 334 HD2 LYS 50 1HD LYS 50 4.373 17.243 -4.924 335 HD3 LYS 50 2HD LYS 50 3.284 15.886 -4.627 336 HE2 LYS 50 1HE LYS 50 1.517 17.675 -4.116 337 HE3 LYS 50 2HE LYS 50 2.627 18.803 -4.894 338 HZ1 LYS 50 1HZ LYS 50 0.973 17.927 -6.439 339 HZ2 LYS 50 2HZ LYS 50 1.519 16.352 -6.154 340 HZ3 LYS 50 3HZ LYS 50 2.539 17.478 -6.897 341 H GLN 51 H GLN 51 6.409 15.423 -0.137 342 HA GLN 51 HA GLN 51 9.099 15.097 -0.954 343 HB2 GLN 51 1HB GLN 51 7.672 15.375 1.640 344 HB3 GLN 51 2HB GLN 51 9.299 14.710 1.682 345 HG2 GLN 51 1HG GLN 51 8.837 17.205 0.140 346 HG3 GLN 51 2HG GLN 51 8.850 17.292 1.901 347 HE21 GLN 51 1HE2 GLN 51 10.714 17.037 -0.935 348 HE22 GLN 51 2HE2 GLN 51 12.267 16.932 -0.186 349 H PHE 52 H PHE 52 6.635 12.873 -0.017 350 HA PHE 52 HA PHE 52 8.547 10.723 0.461 351 HB2 PHE 52 1HB PHE 52 6.422 11.106 1.851 352 HB3 PHE 52 2HB PHE 52 5.546 10.459 0.467 353 HD1 PHE 52 1HD PHE 52 8.411 9.616 2.697 354 HD2 PHE 52 2HD PHE 52 5.133 8.200 0.381 355 HE1 PHE 52 1HE PHE 52 8.829 7.331 3.509 356 HE2 PHE 52 2HE PHE 52 5.545 5.913 1.189 357 HZ PHE 52 HZ PHE 52 7.395 5.476 2.756 358 H ALA 53 H ALA 53 6.719 12.042 -2.077 359 HA ALA 53 HA ALA 53 5.963 9.904 -3.633 360 HB1 ALA 53 1HB ALA 53 5.403 11.561 -4.995 361 HB2 ALA 53 2HB ALA 53 6.340 12.685 -4.010 362 HB3 ALA 53 3HB ALA 53 7.104 11.851 -5.363 363 HA PRO 54 HA PRO 54 10.337 9.718 -5.663 364 HB2 PRO 54 1HB PRO 54 12.311 11.204 -4.538 365 HB3 PRO 54 2HB PRO 54 11.253 11.820 -5.813 366 HG2 PRO 54 1HG PRO 54 11.096 12.243 -2.854 367 HG3 PRO 54 2HG PRO 54 10.871 13.415 -4.165 368 HD2 PRO 54 1HD PRO 54 8.792 12.276 -2.858 369 HD3 PRO 54 2HD PRO 54 8.706 12.737 -4.570 370 H GLU 55 H GLU 55 9.807 9.800 -2.265 371 HA GLU 55 HA GLU 55 12.118 8.218 -1.572 372 HB2 GLU 55 1HB GLU 55 11.183 9.824 0.029 373 HB3 GLU 55 2HB GLU 55 9.666 8.936 0.045 374 HG2 GLU 55 1HG GLU 55 10.681 7.062 1.100 375 HG3 GLU 55 2HG GLU 55 12.294 7.740 0.881 376 H TYR 56 H TYR 56 8.693 7.680 -2.158 377 HA TYR 56 HA TYR 56 8.642 4.981 -1.277 378 HB2 TYR 56 1HB TYR 56 6.653 6.550 -1.620 379 HB3 TYR 56 2HB TYR 56 6.789 6.177 -3.335 380 HD1 TYR 56 1HD TYR 56 7.122 3.994 -0.324 381 HD2 TYR 56 2HD TYR 56 4.970 4.854 -3.892 382 HE1 TYR 56 1HE TYR 56 5.766 1.971 0.014 383 HE2 TYR 56 2HE TYR 56 3.607 2.833 -3.564 384 HH TYR 56 HH TYR 56 3.044 1.210 -2.097 385 H GLU 57 H GLU 57 8.829 6.443 -4.518 386 HA GLU 57 HA GLU 57 8.854 4.241 -6.115 387 HB2 GLU 57 1HB GLU 57 10.386 5.510 -7.630 388 HB3 GLU 57 2HB GLU 57 8.990 6.429 -7.084 389 HG2 GLU 57 1HG GLU 57 10.275 7.727 -5.618 390 HG3 GLU 57 2HG GLU 57 11.645 6.621 -5.707 391 H LYS 58 H LYS 58 11.538 5.473 -4.182 392 HA LYS 58 HA LYS 58 13.578 3.838 -5.132 393 HB2 LYS 58 1HB LYS 58 13.064 5.078 -2.439 394 HB3 LYS 58 2HB LYS 58 14.494 4.099 -2.737 395 HG2 LYS 58 1HG LYS 58 15.047 5.639 -4.631 396 HG3 LYS 58 2HG LYS 58 13.722 6.672 -4.089 397 HD2 LYS 58 1HD LYS 58 15.823 5.825 -2.142 398 HD3 LYS 58 2HD LYS 58 16.167 7.129 -3.281 399 HE2 LYS 58 1HE LYS 58 13.904 8.096 -2.462 400 HE3 LYS 58 2HE LYS 58 14.130 7.014 -1.089 401 HZ1 LYS 58 1HZ LYS 58 15.062 9.477 -1.125 402 HZ2 LYS 58 2HZ LYS 58 16.391 8.700 -1.827 403 HZ3 LYS 58 3HZ LYS 58 15.847 8.227 -0.297 404 H ILE 59 H ILE 59 11.420 3.269 -2.351 405 HA ILE 59 HA ILE 59 12.353 0.774 -1.604 406 HB ILE 59 HB ILE 59 9.519 1.811 -1.502 407 HG12 ILE 59 1HG1 ILE 59 11.351 1.597 0.852 408 HG13 ILE 59 2HG1 ILE 59 11.564 2.939 -0.267 409 HG21 ILE 59 1HG2 ILE 59 9.065 -0.361 -1.079 410 HG22 ILE 59 2HG2 ILE 59 10.727 -0.732 -0.625 411 HG23 ILE 59 3HG2 ILE 59 9.655 0.059 0.529 412 HD11 ILE 59 1HD1 ILE 59 10.047 3.185 1.835 413 HD12 ILE 59 2HD1 ILE 59 9.562 3.898 0.296 414 HD13 ILE 59 3HD1 ILE 59 8.853 2.372 0.823 415 H ALA 60 H ALA 60 10.223 1.657 -4.238 416 HA ALA 60 HA ALA 60 9.076 -0.773 -4.879 417 HB1 ALA 60 1HB ALA 60 9.160 1.716 -6.032 418 HB2 ALA 60 2HB ALA 60 9.960 0.701 -7.233 419 HB3 ALA 60 3HB ALA 60 8.330 0.305 -6.687 420 H SER 61 H SER 61 12.058 0.542 -6.341 421 HA SER 61 HA SER 61 12.772 -1.818 -7.678 422 HB2 SER 61 1HB SER 61 14.141 0.719 -6.959 423 HB3 SER 61 2HB SER 61 15.175 -0.650 -7.369 424 HG SER 61 HG SER 61 13.277 0.687 -8.957 425 H THR 62 H THR 62 13.385 -0.708 -4.416 426 HA THR 62 HA THR 62 15.440 -2.452 -3.689 427 HB THR 62 HB THR 62 13.209 -1.449 -1.911 428 HG1 THR 62 1HG THR 62 14.800 0.027 -3.219 429 HG21 THR 62 1HG2 THR 62 14.897 -3.345 -1.197 430 HG22 THR 62 2HG2 THR 62 14.472 -2.044 -0.086 431 HG23 THR 62 3HG2 THR 62 15.990 -1.979 -0.979 432 H LEU 63 H LEU 63 11.986 -2.836 -2.871 433 HA LEU 63 HA LEU 63 12.297 -5.579 -2.175 434 HB2 LEU 63 1HB LEU 63 9.852 -3.906 -2.715 435 HB3 LEU 63 2HB LEU 63 9.795 -5.573 -2.146 436 HG LEU 63 HG LEU 63 11.318 -3.554 -0.561 437 HD11 LEU 63 1HD1 LEU 63 8.708 -3.043 -1.273 438 HD12 LEU 63 2HD1 LEU 63 9.545 -2.402 0.140 439 HD13 LEU 63 3HD1 LEU 63 8.554 -3.853 0.286 440 HD21 LEU 63 1HD2 LEU 63 10.725 -4.975 1.270 441 HD22 LEU 63 2HD2 LEU 63 11.333 -5.992 -0.036 442 HD23 LEU 63 3HD2 LEU 63 9.598 -5.887 0.266 443 H LYS 64 H LYS 64 11.560 -3.881 -5.109 444 HA LYS 64 HA LYS 64 10.224 -5.751 -6.617 445 HB2 LYS 64 1HB LYS 64 10.643 -3.581 -7.527 446 HB3 LYS 64 2HB LYS 64 12.384 -3.803 -7.417 447 HG2 LYS 64 1HG LYS 64 11.863 -5.831 -9.032 448 HG3 LYS 64 2HG LYS 64 10.459 -4.835 -9.422 449 HD2 LYS 64 1HD LYS 64 13.141 -3.543 -9.351 450 HD3 LYS 64 2HD LYS 64 12.741 -4.574 -10.726 451 HE2 LYS 64 1HE LYS 64 12.055 -2.468 -11.427 452 HE3 LYS 64 2HE LYS 64 10.563 -3.198 -10.838 453 HZ1 LYS 64 1HZ LYS 64 11.037 -2.048 -8.677 454 HZ2 LYS 64 2HZ LYS 64 10.645 -1.026 -9.967 455 HZ3 LYS 64 3HZ LYS 64 12.256 -1.186 -9.474 456 H ASP 65 H ASP 65 13.590 -5.717 -5.672 457 HA ASP 65 HA ASP 65 14.237 -7.971 -7.389 458 HB2 ASP 65 1HB ASP 65 15.842 -6.072 -6.944 459 HB3 ASP 65 2HB ASP 65 15.990 -6.677 -5.296 460 H ASN 66 H ASN 66 13.597 -7.287 -4.012 461 HA ASN 66 HA ASN 66 14.529 -9.391 -2.628 462 HB2 ASN 66 1HB ASN 66 13.042 -7.627 -1.702 463 HB3 ASN 66 2HB ASN 66 11.663 -8.436 -2.442 464 HD21 ASN 66 1HD2 ASN 66 10.974 -10.421 -1.622 465 HD22 ASN 66 2HD2 ASN 66 11.431 -10.962 -0.046 466 H ASP 67 H ASP 67 13.823 -11.506 -2.095 467 HA ASP 67 HA ASP 67 12.207 -12.780 -4.205 468 HB2 ASP 67 1HB ASP 67 14.257 -14.248 -2.568 469 HB3 ASP 67 2HB ASP 67 13.578 -14.683 -4.134 470 HA PRO 68 HA PRO 68 10.791 -14.064 -4.708 471 HB2 PRO 68 1HB PRO 68 8.097 -13.724 -4.692 472 HB3 PRO 68 2HB PRO 68 8.871 -15.280 -4.371 473 HG2 PRO 68 1HG PRO 68 7.782 -13.272 -2.437 474 HG3 PRO 68 2HG PRO 68 7.624 -15.038 -2.423 475 HD2 PRO 68 1HD PRO 68 9.406 -13.723 -0.866 476 HD3 PRO 68 2HD PRO 68 9.720 -15.344 -1.516 477 HA PRO 69 HA PRO 69 10.470 -9.842 -5.890 478 HB2 PRO 69 1HB PRO 69 9.013 -9.947 -8.179 479 HB3 PRO 69 2HB PRO 69 10.683 -10.516 -8.076 480 HG2 PRO 69 1HG PRO 69 8.136 -12.087 -7.977 481 HG3 PRO 69 2HG PRO 69 9.641 -12.449 -8.842 482 HD2 PRO 69 1HD PRO 69 8.996 -13.620 -6.487 483 HD3 PRO 69 2HD PRO 69 10.674 -13.276 -6.955 484 H ILE 70 H ILE 70 9.314 -8.307 -4.922 485 HA ILE 70 HA ILE 70 6.405 -8.647 -4.689 486 HB ILE 70 HB ILE 70 8.229 -6.818 -3.124 487 HG12 ILE 70 1HG1 ILE 70 6.795 -9.271 -2.113 488 HG13 ILE 70 2HG1 ILE 70 8.433 -9.342 -2.753 489 HG21 ILE 70 1HG2 ILE 70 6.010 -6.958 -1.647 490 HG22 ILE 70 2HG2 ILE 70 6.254 -5.731 -2.889 491 HG23 ILE 70 3HG2 ILE 70 5.294 -7.166 -3.245 492 HD11 ILE 70 1HD1 ILE 70 9.087 -8.957 -0.667 493 HD12 ILE 70 2HD1 ILE 70 8.570 -7.292 -0.934 494 HD13 ILE 70 3HD1 ILE 70 7.477 -8.443 -0.166 495 H ALA 71 H ALA 71 4.995 -6.940 -5.171 496 HA ALA 71 HA ALA 71 6.135 -4.914 -6.980 497 HB1 ALA 71 1HB ALA 71 4.100 -6.757 -7.428 498 HB2 ALA 71 2HB ALA 71 3.272 -5.216 -7.199 499 HB3 ALA 71 3HB ALA 71 4.519 -5.371 -8.436 500 H VAL 72 H VAL 72 5.954 -2.827 -6.464 501 HA VAL 72 HA VAL 72 4.363 -2.123 -4.100 502 HB VAL 72 HB VAL 72 6.537 -0.531 -5.469 503 HG11 VAL 72 1HG1 VAL 72 6.215 0.317 -2.833 504 HG12 VAL 72 2HG1 VAL 72 5.736 1.181 -4.295 505 HG13 VAL 72 3HG1 VAL 72 4.577 0.144 -3.462 506 HG21 VAL 72 1HG2 VAL 72 6.567 -2.524 -3.260 507 HG22 VAL 72 2HG2 VAL 72 7.754 -2.228 -4.530 508 HG23 VAL 72 3HG2 VAL 72 7.647 -1.134 -3.151 509 H ALA 73 H ALA 73 2.707 -0.706 -4.181 510 HA ALA 73 HA ALA 73 2.318 1.015 -6.478 511 HB1 ALA 73 1HB ALA 73 1.189 -1.490 -6.595 512 HB2 ALA 73 2HB ALA 73 -0.129 -0.483 -5.993 513 HB3 ALA 73 3HB ALA 73 0.669 -0.076 -7.512 514 H LYS 74 H LYS 74 0.271 2.337 -6.204 515 HA LYS 74 HA LYS 74 -0.443 2.690 -3.378 516 HB2 LYS 74 1HB LYS 74 -0.246 5.132 -3.614 517 HB3 LYS 74 2HB LYS 74 1.299 4.326 -3.850 518 HG2 LYS 74 1HG LYS 74 -0.450 5.092 -6.162 519 HG3 LYS 74 2HG LYS 74 0.695 6.224 -5.438 520 HD2 LYS 74 1HD LYS 74 2.343 4.166 -5.758 521 HD3 LYS 74 2HD LYS 74 1.193 3.768 -7.036 522 HE2 LYS 74 1HE LYS 74 2.986 5.098 -7.952 523 HE3 LYS 74 2HE LYS 74 1.494 6.037 -7.964 524 HZ1 LYS 74 1HZ LYS 74 2.791 6.513 -5.538 525 HZ2 LYS 74 2HZ LYS 74 2.522 7.598 -6.807 526 HZ3 LYS 74 3HZ LYS 74 3.943 6.682 -6.766 527 H ILE 75 H ILE 75 -2.374 4.121 -3.114 528 HA ILE 75 HA ILE 75 -4.133 4.162 -5.455 529 HB ILE 75 HB ILE 75 -4.913 2.953 -2.799 530 HG12 ILE 75 1HG1 ILE 75 -5.098 1.504 -5.400 531 HG13 ILE 75 2HG1 ILE 75 -3.508 1.680 -4.665 532 HG21 ILE 75 1HG2 ILE 75 -6.522 3.524 -5.280 533 HG22 ILE 75 2HG2 ILE 75 -7.061 2.458 -3.983 534 HG23 ILE 75 3HG2 ILE 75 -6.777 4.168 -3.658 535 HD11 ILE 75 1HD1 ILE 75 -4.809 0.794 -2.539 536 HD12 ILE 75 2HD1 ILE 75 -5.845 0.095 -3.784 537 HD13 ILE 75 3HD1 ILE 75 -4.125 -0.294 -3.746 538 H ASP 76 H ASP 76 -5.572 5.834 -5.495 539 HA ASP 76 HA ASP 76 -5.147 7.940 -3.548 540 HB2 ASP 76 1HB ASP 76 -7.080 8.104 -5.843 541 HB3 ASP 76 2HB ASP 76 -6.152 9.394 -5.084 542 H ALA 77 H ALA 77 -6.143 6.792 -1.760 543 HA ALA 77 HA ALA 77 -8.596 5.738 -1.467 544 HB1 ALA 77 1HB ALA 77 -8.336 6.031 0.754 545 HB2 ALA 77 2HB ALA 77 -6.727 6.575 0.279 546 HB3 ALA 77 3HB ALA 77 -7.998 7.755 0.597 547 H THR 78 H THR 78 -7.917 9.218 -1.586 548 HA THR 78 HA THR 78 -10.397 10.262 -1.054 549 HB THR 78 HB THR 78 -9.799 12.195 -2.412 550 HG1 THR 78 1HG THR 78 -7.519 10.759 -3.310 551 HG21 THR 78 1HG2 THR 78 -8.684 11.845 -0.218 552 HG22 THR 78 2HG2 THR 78 -7.708 12.778 -1.352 553 HG23 THR 78 3HG2 THR 78 -7.340 11.078 -1.062 554 H SER 79 H SER 79 -9.209 9.008 -4.150 555 HA SER 79 HA SER 79 -11.706 9.555 -5.487 556 HB2 SER 79 1HB SER 79 -9.128 8.230 -6.296 557 HB3 SER 79 2HB SER 79 -10.555 8.137 -7.328 558 HG SER 79 HG SER 79 -10.054 10.055 -7.988 559 H ALA 80 H ALA 80 -10.077 6.776 -4.077 560 HA ALA 80 HA ALA 80 -12.297 5.030 -4.847 561 HB1 ALA 80 1HB ALA 80 -9.498 4.641 -4.454 562 HB2 ALA 80 2HB ALA 80 -10.388 3.595 -3.347 563 HB3 ALA 80 3HB ALA 80 -10.699 3.511 -5.080 564 H SER 81 H SER 81 -13.965 5.477 -3.483 565 HA SER 81 HA SER 81 -13.597 5.915 -0.678 566 HB2 SER 81 1HB SER 81 -16.081 5.880 -0.596 567 HB3 SER 81 2HB SER 81 -15.460 6.973 -1.833 568 HG SER 81 HG SER 81 -16.082 5.586 -3.392 569 H MET 82 H MET 82 -14.743 3.222 -2.670 570 HA MET 82 HA MET 82 -15.531 1.500 -0.619 571 HB2 MET 82 1HB MET 82 -15.865 1.250 -3.145 572 HB3 MET 82 2HB MET 82 -14.244 0.569 -3.179 573 HG2 MET 82 1HG MET 82 -16.216 -0.565 -1.268 574 HG3 MET 82 2HG MET 82 -16.379 -0.950 -2.980 575 HE1 MET 82 1HE MET 82 -13.296 -1.546 -4.115 576 HE2 MET 82 2HE MET 82 -13.670 -3.251 -3.862 577 HE3 MET 82 3HE MET 82 -14.943 -2.132 -4.352 578 H LEU 83 H LEU 83 -12.467 1.349 -2.447 579 HA LEU 83 HA LEU 83 -11.177 -0.515 -0.869 580 HB2 LEU 83 1HB LEU 83 -10.012 1.828 -2.364 581 HB3 LEU 83 2HB LEU 83 -9.064 0.497 -1.701 582 HG LEU 83 HG LEU 83 -11.197 0.167 -3.808 583 HD11 LEU 83 1HD1 LEU 83 -9.199 -0.200 -5.311 584 HD12 LEU 83 2HD1 LEU 83 -8.225 0.552 -4.048 585 HD13 LEU 83 3HD1 LEU 83 -9.514 1.467 -4.829 586 HD21 LEU 83 1HD2 LEU 83 -9.790 -1.982 -4.126 587 HD22 LEU 83 2HD2 LEU 83 -10.943 -1.902 -2.794 588 HD23 LEU 83 3HD2 LEU 83 -9.223 -1.655 -2.488 589 H ALA 84 H ALA 84 -11.245 3.011 -0.501 590 HA ALA 84 HA ALA 84 -9.456 3.341 1.565 591 HB1 ALA 84 1HB ALA 84 -10.263 5.324 0.714 592 HB2 ALA 84 2HB ALA 84 -11.944 4.793 0.782 593 HB3 ALA 84 3HB ALA 84 -11.099 5.239 2.265 594 H SER 85 H SER 85 -12.956 2.730 1.873 595 HA SER 85 HA SER 85 -12.961 2.545 4.684 596 HB2 SER 85 1HB SER 85 -14.847 1.670 2.522 597 HB3 SER 85 2HB SER 85 -15.134 1.169 4.189 598 HG SER 85 HG SER 85 -15.374 3.659 3.018 599 H LYS 86 H LYS 86 -12.437 0.168 2.151 600 HA LYS 86 HA LYS 86 -12.697 -2.210 3.476 601 HB2 LYS 86 1HB LYS 86 -11.935 -1.699 1.045 602 HB3 LYS 86 2HB LYS 86 -10.310 -1.732 1.718 603 HG2 LYS 86 1HG LYS 86 -10.636 -4.011 2.472 604 HG3 LYS 86 2HG LYS 86 -12.302 -3.985 1.887 605 HD2 LYS 86 1HD LYS 86 -11.677 -4.141 -0.307 606 HD3 LYS 86 2HD LYS 86 -10.139 -3.316 -0.040 607 HE2 LYS 86 1HE LYS 86 -9.071 -5.232 0.619 608 HE3 LYS 86 2HE LYS 86 -10.549 -5.980 1.219 609 HZ1 LYS 86 1HZ LYS 86 -11.253 -6.345 -1.059 610 HZ2 LYS 86 2HZ LYS 86 -9.749 -7.068 -0.785 611 HZ3 LYS 86 3HZ LYS 86 -9.844 -5.613 -1.643 612 H PHE 87 H PHE 87 -9.677 -0.317 3.290 613 HA PHE 87 HA PHE 87 -8.623 -1.836 5.554 614 HB2 PHE 87 1HB PHE 87 -7.229 0.221 3.829 615 HB3 PHE 87 2HB PHE 87 -6.470 -0.857 4.995 616 HD1 PHE 87 2HD PHE 87 -8.172 -0.686 1.736 617 HD2 PHE 87 1HD PHE 87 -5.944 -3.102 4.440 618 HE1 PHE 87 2HE PHE 87 -7.850 -2.363 -0.034 619 HE2 PHE 87 1HE PHE 87 -5.617 -4.783 2.674 620 HZ PHE 87 HZ PHE 87 -6.572 -4.416 0.433 621 H ASP 88 H ASP 88 -10.758 0.135 5.884 622 HA ASP 88 HA ASP 88 -11.290 2.044 7.057 623 HB2 ASP 88 1HB ASP 88 -10.668 0.126 8.710 624 HB3 ASP 88 2HB ASP 88 -9.249 1.113 9.051 625 H VAL 89 H VAL 89 -9.367 2.650 5.129 626 HA VAL 89 HA VAL 89 -7.144 4.054 6.210 627 HB VAL 89 HB VAL 89 -8.465 4.343 3.507 628 HG11 VAL 89 1HG1 VAL 89 -7.102 6.062 3.168 629 HG12 VAL 89 2HG1 VAL 89 -6.385 5.858 4.768 630 HG13 VAL 89 3HG1 VAL 89 -5.729 4.977 3.387 631 HG21 VAL 89 1HG2 VAL 89 -7.170 2.151 4.525 632 HG22 VAL 89 2HG2 VAL 89 -7.345 2.533 2.812 633 HG23 VAL 89 3HG2 VAL 89 -5.879 2.999 3.675 634 H SER 90 H SER 90 -7.600 5.627 7.657 635 HA SER 90 HA SER 90 -9.373 7.802 6.754 636 HB2 SER 90 1HB SER 90 -9.147 6.441 9.399 637 HB3 SER 90 2HB SER 90 -9.497 8.170 9.387 638 HG SER 90 HG SER 90 -10.961 6.297 7.850 639 H GLY 91 H GLY 91 -6.552 7.575 6.251 640 HA2 GLY 91 1HA GLY 91 -5.729 10.168 7.026 641 HA3 GLY 91 2HA GLY 91 -4.932 8.973 8.039 642 H TYR 92 H TYR 92 -3.307 10.495 6.605 643 HA TYR 92 HA TYR 92 -1.994 8.615 4.898 644 HB2 TYR 92 1HB TYR 92 -2.640 11.152 3.464 645 HB3 TYR 92 2HB TYR 92 -2.262 9.562 2.812 646 HD1 TYR 92 2HD TYR 92 -4.916 11.599 4.381 647 HD2 TYR 92 1HD TYR 92 -3.982 7.996 2.320 648 HE1 TYR 92 2HE TYR 92 -7.316 11.173 4.050 649 HE2 TYR 92 1HE TYR 92 -6.379 7.560 1.982 650 HH TYR 92 HH TYR 92 -8.801 9.936 2.737 651 HA PRO 93 HA PRO 93 -0.385 8.871 3.216 652 HB2 PRO 93 1HB PRO 93 2.114 7.879 3.594 653 HB3 PRO 93 2HB PRO 93 1.795 9.354 2.673 654 HG2 PRO 93 1HG PRO 93 2.705 9.051 5.509 655 HG3 PRO 93 2HG PRO 93 3.272 10.182 4.267 656 HD2 PRO 93 1HD PRO 93 1.533 10.906 6.212 657 HD3 PRO 93 2HD PRO 93 1.498 11.618 4.586 658 H THR 94 H THR 94 -0.578 6.616 3.214 659 HA THR 94 HA THR 94 -0.240 5.223 5.768 660 HB THR 94 HB THR 94 -2.807 5.214 4.168 661 HG1 THR 94 1HG THR 94 -3.051 6.881 5.496 662 HG21 THR 94 1HG2 THR 94 -1.768 3.073 5.502 663 HG22 THR 94 2HG2 THR 94 -3.490 3.360 5.249 664 HG23 THR 94 3HG2 THR 94 -2.727 3.845 6.763 665 H ILE 95 H ILE 95 0.442 3.156 5.570 666 HA ILE 95 HA ILE 95 0.494 1.998 2.860 667 HB ILE 95 HB ILE 95 2.630 1.678 4.971 668 HG12 ILE 95 1HG1 ILE 95 2.947 3.098 2.337 669 HG13 ILE 95 2HG1 ILE 95 2.384 3.955 3.768 670 HG21 ILE 95 1HG2 ILE 95 3.178 -0.140 3.813 671 HG22 ILE 95 2HG2 ILE 95 2.000 0.229 2.555 672 HG23 ILE 95 3HG2 ILE 95 3.616 0.930 2.482 673 HD11 ILE 95 1HD1 ILE 95 4.721 2.450 4.420 674 HD12 ILE 95 2HD1 ILE 95 5.025 3.440 2.992 675 HD13 ILE 95 3HD1 ILE 95 4.458 4.192 4.483 676 H LYS 96 H LYS 96 -0.117 -0.089 2.645 677 HA LYS 96 HA LYS 96 -0.553 -1.678 5.075 678 HB2 LYS 96 1HB LYS 96 -2.553 -1.159 2.875 679 HB3 LYS 96 2HB LYS 96 -2.704 -2.500 4.003 680 HG2 LYS 96 1HG LYS 96 -2.361 0.249 5.089 681 HG3 LYS 96 2HG LYS 96 -3.929 -0.224 4.429 682 HD2 LYS 96 1HD LYS 96 -3.763 -2.275 5.926 683 HD3 LYS 96 2HD LYS 96 -2.419 -1.454 6.723 684 HE2 LYS 96 1HE LYS 96 -3.808 0.319 7.443 685 HE3 LYS 96 2HE LYS 96 -5.121 -0.179 6.378 686 HZ1 LYS 96 1HZ LYS 96 -4.141 -1.907 8.569 687 HZ2 LYS 96 2HZ LYS 96 -5.600 -2.017 7.722 688 HZ3 LYS 96 3HZ LYS 96 -5.350 -0.750 8.815 689 H ILE 97 H ILE 97 -1.086 -4.017 4.462 690 HA ILE 97 HA ILE 97 0.402 -4.811 2.050 691 HB ILE 97 HB ILE 97 0.641 -6.048 4.794 692 HG12 ILE 97 1HG1 ILE 97 2.913 -5.039 3.119 693 HG13 ILE 97 2HG1 ILE 97 1.950 -3.901 4.053 694 HG21 ILE 97 1HG2 ILE 97 1.966 -6.947 2.242 695 HG22 ILE 97 2HG2 ILE 97 2.075 -7.707 3.829 696 HG23 ILE 97 3HG2 ILE 97 0.547 -7.718 2.949 697 HD11 ILE 97 1HD1 ILE 97 2.750 -6.166 5.651 698 HD12 ILE 97 2HD1 ILE 97 4.137 -5.345 4.933 699 HD13 ILE 97 3HD1 ILE 97 2.995 -4.442 5.928 700 H LEU 98 H LEU 98 -0.582 -6.287 0.813 701 HA LEU 98 HA LEU 98 -3.046 -7.508 1.846 702 HB2 LEU 98 1HB LEU 98 -3.004 -6.017 -0.240 703 HB3 LEU 98 2HB LEU 98 -2.228 -7.383 -1.039 704 HG LEU 98 HG LEU 98 -4.302 -8.717 -0.247 705 HD11 LEU 98 1HD1 LEU 98 -6.195 -7.605 0.379 706 HD12 LEU 98 2HD1 LEU 98 -5.714 -6.106 -0.415 707 HD13 LEU 98 3HD1 LEU 98 -4.975 -6.568 1.119 708 HD21 LEU 98 1HD2 LEU 98 -5.252 -6.868 -2.289 709 HD22 LEU 98 2HD2 LEU 98 -4.942 -8.602 -2.383 710 HD23 LEU 98 3HD2 LEU 98 -3.616 -7.456 -2.588 711 H LYS 99 H LYS 99 -2.715 -9.492 2.606 712 HA LYS 99 HA LYS 99 -0.847 -11.260 1.176 713 HB2 LYS 99 1HB LYS 99 -0.640 -10.680 3.725 714 HB3 LYS 99 2HB LYS 99 -1.923 -11.870 3.905 715 HG2 LYS 99 1HG LYS 99 0.179 -12.948 4.260 716 HG3 LYS 99 2HG LYS 99 -0.492 -13.518 2.730 717 HD2 LYS 99 1HD LYS 99 0.992 -12.140 1.476 718 HD3 LYS 99 2HD LYS 99 1.515 -11.279 2.925 719 HE2 LYS 99 1HE LYS 99 3.265 -12.727 2.678 720 HE3 LYS 99 2HE LYS 99 2.208 -13.706 3.694 721 HZ1 LYS 99 1HZ LYS 99 1.314 -14.559 1.449 722 HZ2 LYS 99 2HZ LYS 99 2.791 -15.154 2.018 723 HZ3 LYS 99 3HZ LYS 99 2.766 -13.966 0.814 724 H LYS 100 H LYS 100 -1.974 -12.366 -0.309 725 HA LYS 100 HA LYS 100 -3.607 -13.629 -1.288 726 HB2 LYS 100 1HB LYS 100 -3.733 -14.857 1.472 727 HB3 LYS 100 2HB LYS 100 -4.257 -15.611 -0.028 728 HG2 LYS 100 1HG LYS 100 -1.840 -15.331 -0.805 729 HG3 LYS 100 2HG LYS 100 -1.468 -15.012 0.891 730 HD2 LYS 100 1HD LYS 100 -1.104 -17.302 0.683 731 HD3 LYS 100 2HD LYS 100 -2.735 -17.211 1.353 732 HE2 LYS 100 1HE LYS 100 -3.718 -17.911 -0.588 733 HE3 LYS 100 2HE LYS 100 -2.440 -17.244 -1.604 734 HZ1 LYS 100 1HZ LYS 100 -1.103 -19.138 -0.300 735 HZ2 LYS 100 2HZ LYS 100 -1.870 -19.397 -1.785 736 HZ3 LYS 100 3HZ LYS 100 -2.636 -19.853 -0.347 737 H GLY 101 H GLY 101 -4.482 -11.134 -0.003 738 HA2 GLY 101 1HA GLY 101 -6.650 -10.195 -0.162 739 HA3 GLY 101 2HA GLY 101 -7.334 -11.790 0.113 740 H GLN 102 H GLN 102 -4.773 -10.909 2.199 741 HA GLN 102 HA GLN 102 -6.721 -10.387 4.344 742 HB2 GLN 102 1HB GLN 102 -4.013 -11.709 4.405 743 HB3 GLN 102 2HB GLN 102 -4.840 -11.177 5.862 744 HG2 GLN 102 1HG GLN 102 -6.413 -12.818 5.741 745 HG3 GLN 102 2HG GLN 102 -6.325 -12.927 3.984 746 HE21 GLN 102 1HE2 GLN 102 -4.833 -13.867 6.994 747 HE22 GLN 102 2HE2 GLN 102 -3.899 -15.171 6.351 748 H ALA 103 H ALA 103 -6.804 -8.318 4.894 749 HA ALA 103 HA ALA 103 -4.749 -6.449 4.265 750 HB1 ALA 103 1HB ALA 103 -6.170 -4.892 5.679 751 HB2 ALA 103 2HB ALA 103 -6.949 -5.610 4.268 752 HB3 ALA 103 3HB ALA 103 -7.277 -6.251 5.877 753 H VAL 104 H VAL 104 -2.885 -6.293 5.313 754 HA VAL 104 HA VAL 104 -2.825 -6.888 8.197 755 HB VAL 104 HB VAL 104 -0.578 -6.960 6.179 756 HG11 VAL 104 1HG1 VAL 104 -0.352 -6.389 8.855 757 HG12 VAL 104 2HG1 VAL 104 -0.093 -8.134 8.803 758 HG13 VAL 104 3HG1 VAL 104 0.920 -7.062 7.835 759 HG21 VAL 104 1HG2 VAL 104 -1.245 -9.046 5.804 760 HG22 VAL 104 2HG2 VAL 104 -0.880 -9.424 7.487 761 HG23 VAL 104 3HG2 VAL 104 -2.504 -8.911 7.032 762 H ASP 105 H ASP 105 -2.958 -5.072 9.346 763 HA ASP 105 HA ASP 105 -2.341 -2.497 8.442 764 HB2 ASP 105 1HB ASP 105 -2.655 -1.773 10.700 765 HB3 ASP 105 2HB ASP 105 -3.786 -3.093 10.420 766 H TYR 106 H TYR 106 -0.429 -1.691 7.921 767 HA TYR 106 HA TYR 106 2.029 -2.908 8.638 768 HB2 TYR 106 1HB TYR 106 1.944 -1.727 6.571 769 HB3 TYR 106 2HB TYR 106 1.359 -0.262 7.351 770 HD1 TYR 106 2HD TYR 106 4.258 -2.552 7.951 771 HD2 TYR 106 1HD TYR 106 2.921 1.425 7.250 772 HE1 TYR 106 2HE TYR 106 6.572 -1.744 8.157 773 HE2 TYR 106 1HE TYR 106 5.231 2.244 7.452 774 HH TYR 106 HH TYR 106 7.347 1.556 8.458 775 H ASP 107 H ASP 107 3.275 -2.636 10.367 776 HA ASP 107 HA ASP 107 2.719 -0.346 12.138 777 HB2 ASP 107 1HB ASP 107 2.213 -2.792 12.908 778 HB3 ASP 107 2HB ASP 107 3.957 -2.892 13.129 779 H GLY 108 H GLY 108 4.280 0.948 11.066 780 HA2 GLY 108 1HA GLY 108 6.962 0.532 12.081 781 HA3 GLY 108 2HA GLY 108 6.824 0.464 10.330 782 H SER 109 H SER 109 8.236 2.297 10.250 783 HA SER 109 HA SER 109 6.874 4.826 10.913 784 HB2 SER 109 1HB SER 109 9.807 4.119 10.982 785 HB3 SER 109 2HB SER 109 9.243 5.790 10.956 786 HG SER 109 HG SER 109 8.258 3.954 12.855 787 H ARG 110 H ARG 110 6.440 3.424 8.503 788 HA ARG 110 HA ARG 110 6.674 3.550 6.213 789 HB2 ARG 110 1HB ARG 110 6.156 5.805 5.378 790 HB3 ARG 110 2HB ARG 110 5.136 5.364 6.740 791 HG2 ARG 110 1HG ARG 110 6.232 6.824 8.191 792 HG3 ARG 110 2HG ARG 110 7.631 6.974 7.125 793 HD2 ARG 110 1HD ARG 110 6.221 8.146 5.481 794 HD3 ARG 110 2HD ARG 110 4.859 8.037 6.595 795 HE ARG 110 HE ARG 110 6.697 9.285 8.091 796 HH11 ARG 110 2HH1 ARG 110 5.584 9.845 4.840 797 HH12 ARG 110 1HH1 ARG 110 5.873 11.553 4.896 798 HH21 ARG 110 2HH2 ARG 110 7.082 11.531 8.177 799 HH22 ARG 110 1HH2 ARG 110 6.726 12.510 6.795 800 H THR 111 H THR 111 9.180 3.164 7.299 801 HA THR 111 HA THR 111 10.896 4.992 5.752 802 HB THR 111 HB THR 111 12.701 3.746 7.274 803 HG1 THR 111 1HG THR 111 11.890 2.942 9.082 804 HG21 THR 111 1HG2 THR 111 12.118 5.636 9.030 805 HG22 THR 111 2HG2 THR 111 11.025 6.161 7.750 806 HG23 THR 111 3HG2 THR 111 12.755 6.032 7.435 807 H GLN 112 H GLN 112 12.181 4.205 4.175 808 HA GLN 112 HA GLN 112 11.674 1.927 2.800 809 HB2 GLN 112 1HB GLN 112 13.159 3.701 1.985 810 HB3 GLN 112 2HB GLN 112 14.393 3.206 3.135 811 HG2 GLN 112 1HG GLN 112 14.436 0.979 2.005 812 HG3 GLN 112 2HG GLN 112 13.365 1.651 0.777 813 HE21 GLN 112 1HE2 GLN 112 14.181 2.974 -0.771 814 HE22 GLN 112 2HE2 GLN 112 15.862 3.335 -0.941 815 H GLU 113 H GLU 113 13.392 2.178 5.784 816 HA GLU 113 HA GLU 113 14.644 -0.409 5.601 817 HB2 GLU 113 1HB GLU 113 14.315 1.543 7.879 818 HB3 GLU 113 2HB GLU 113 15.151 0.006 8.040 819 HG2 GLU 113 1HG GLU 113 16.489 0.935 5.956 820 HG3 GLU 113 2HG GLU 113 15.976 2.479 6.634 821 H GLU 114 H GLU 114 12.050 0.962 7.628 822 HA GLU 114 HA GLU 114 11.284 -1.536 8.729 823 HB2 GLU 114 1HB GLU 114 9.969 1.166 8.599 824 HB3 GLU 114 2HB GLU 114 9.141 -0.218 9.299 825 HG2 GLU 114 1HG GLU 114 11.394 -0.414 10.667 826 HG3 GLU 114 2HG GLU 114 11.472 1.310 10.306 827 H ILE 115 H ILE 115 9.495 0.558 6.457 828 HA ILE 115 HA ILE 115 7.434 -1.005 5.736 829 HB ILE 115 HB ILE 115 9.165 0.525 3.791 830 HG12 ILE 115 1HG1 ILE 115 6.634 1.380 5.207 831 HG13 ILE 115 2HG1 ILE 115 8.254 1.819 5.736 832 HG21 ILE 115 1HG2 ILE 115 6.379 0.421 3.111 833 HG22 ILE 115 2HG2 ILE 115 7.781 -0.068 2.160 834 HG23 ILE 115 3HG2 ILE 115 7.028 -1.211 3.272 835 HD11 ILE 115 1HD1 ILE 115 8.528 3.336 4.083 836 HD12 ILE 115 2HD1 ILE 115 7.540 2.432 2.934 837 HD13 ILE 115 3HD1 ILE 115 6.769 3.388 4.200 838 H VAL 116 H VAL 116 10.724 -1.327 4.438 839 HA VAL 116 HA VAL 116 10.084 -3.552 2.766 840 HB VAL 116 HB VAL 116 12.754 -2.530 3.742 841 HG11 VAL 116 1HG1 VAL 116 12.201 -5.028 2.659 842 HG12 VAL 116 2HG1 VAL 116 12.805 -4.079 1.300 843 HG13 VAL 116 3HG1 VAL 116 13.778 -4.247 2.762 844 HG21 VAL 116 1HG2 VAL 116 12.939 -1.393 1.694 845 HG22 VAL 116 2HG2 VAL 116 11.582 -2.271 0.986 846 HG23 VAL 116 3HG2 VAL 116 11.295 -1.070 2.245 847 H ALA 117 H ALA 117 11.579 -3.194 5.957 848 HA ALA 117 HA ALA 117 12.316 -5.844 6.391 849 HB1 ALA 117 1HB ALA 117 11.635 -5.015 8.891 850 HB2 ALA 117 2HB ALA 117 13.166 -4.653 8.092 851 HB3 ALA 117 3HB ALA 117 11.853 -3.476 8.055 852 H LYS 118 H LYS 118 9.192 -4.309 6.547 853 HA LYS 118 HA LYS 118 7.951 -6.583 7.857 854 HB2 LYS 118 1HB LYS 118 7.112 -4.407 8.452 855 HB3 LYS 118 2HB LYS 118 6.833 -3.999 6.764 856 HG2 LYS 118 1HG LYS 118 4.743 -4.517 7.842 857 HG3 LYS 118 2HG LYS 118 5.118 -5.756 6.642 858 HD2 LYS 118 1HD LYS 118 4.314 -6.861 8.601 859 HD3 LYS 118 2HD LYS 118 6.052 -7.150 8.501 860 HE2 LYS 118 1HE LYS 118 5.110 -4.798 10.055 861 HE3 LYS 118 2HE LYS 118 4.880 -6.400 10.756 862 HZ1 LYS 118 1HZ LYS 118 7.515 -5.849 9.660 863 HZ2 LYS 118 2HZ LYS 118 7.080 -6.675 11.070 864 HZ3 LYS 118 3HZ LYS 118 7.102 -4.983 11.054 865 H VAL 119 H VAL 119 7.649 -4.921 4.718 866 HA VAL 119 HA VAL 119 5.883 -6.730 3.529 867 HB VAL 119 HB VAL 119 7.933 -4.867 2.356 868 HG11 VAL 119 1HG1 VAL 119 6.901 -5.315 0.149 869 HG12 VAL 119 2HG1 VAL 119 7.776 -6.702 0.800 870 HG13 VAL 119 3HG1 VAL 119 6.014 -6.657 0.871 871 HG21 VAL 119 1HG2 VAL 119 6.227 -3.522 3.025 872 HG22 VAL 119 2HG2 VAL 119 5.578 -3.998 1.456 873 HG23 VAL 119 3HG2 VAL 119 5.024 -4.808 2.922 874 H ARG 120 H ARG 120 9.188 -7.076 4.315 875 HA ARG 120 HA ARG 120 9.641 -9.198 2.371 876 HB2 ARG 120 1HB ARG 120 11.909 -9.124 2.985 877 HB3 ARG 120 2HB ARG 120 11.384 -7.447 3.030 878 HG2 ARG 120 1HG ARG 120 11.386 -7.386 5.364 879 HG3 ARG 120 2HG ARG 120 11.400 -9.145 5.498 880 HD2 ARG 120 1HD ARG 120 13.645 -9.297 5.052 881 HD3 ARG 120 2HD ARG 120 13.669 -7.801 4.118 882 HE ARG 120 HE ARG 120 14.165 -6.672 6.038 883 HH11 ARG 120 2HH1 ARG 120 12.818 -9.770 6.880 884 HH12 ARG 120 1HH1 ARG 120 13.113 -9.583 8.577 885 HH21 ARG 120 2HH2 ARG 120 14.559 -6.414 8.269 886 HH22 ARG 120 1HH2 ARG 120 14.103 -7.673 9.366 887 H GLU 121 H GLU 121 9.029 -8.755 5.785 888 HA GLU 121 HA GLU 121 9.628 -11.473 6.496 889 HB2 GLU 121 1HB GLU 121 9.239 -10.846 8.664 890 HB3 GLU 121 2HB GLU 121 9.584 -9.271 7.963 891 HG2 GLU 121 1HG GLU 121 7.196 -8.833 7.751 892 HG3 GLU 121 2HG GLU 121 6.841 -10.417 8.436 893 H VAL 122 H VAL 122 6.739 -9.613 5.731 894 HA VAL 122 HA VAL 122 4.856 -11.601 6.460 895 HB VAL 122 HB VAL 122 4.546 -9.374 4.441 896 HG11 VAL 122 1HG1 VAL 122 2.276 -10.491 5.998 897 HG12 VAL 122 2HG1 VAL 122 2.300 -9.779 4.383 898 HG13 VAL 122 3HG1 VAL 122 2.886 -11.425 4.632 899 HG21 VAL 122 1HG2 VAL 122 3.742 -8.003 6.186 900 HG22 VAL 122 2HG2 VAL 122 3.671 -9.353 7.319 901 HG23 VAL 122 3HG2 VAL 122 5.233 -8.724 6.794 902 H SER 123 H SER 123 6.182 -10.643 3.295 903 HA SER 123 HA SER 123 4.887 -12.287 1.588 904 HB2 SER 123 1HB SER 123 6.772 -12.194 0.138 905 HB3 SER 123 2HB SER 123 6.812 -10.699 1.073 906 HG SER 123 HG SER 123 8.351 -11.728 2.451 907 H GLN 124 H GLN 124 7.506 -13.235 3.764 908 HA GLN 124 HA GLN 124 8.072 -15.771 2.937 909 HB2 GLN 124 1HB GLN 124 7.697 -14.908 5.810 910 HB3 GLN 124 2HB GLN 124 8.611 -16.308 5.266 911 HG2 GLN 124 1HG GLN 124 9.255 -13.417 4.743 912 HG3 GLN 124 2HG GLN 124 10.118 -14.522 5.812 913 HE21 GLN 124 1HE2 GLN 124 10.545 -12.981 3.104 914 HE22 GLN 124 2HE2 GLN 124 11.421 -14.139 2.167 915 HA PRO 125 HA PRO 125 4.344 -18.100 3.217 916 HB2 PRO 125 1HB PRO 125 5.422 -20.590 3.309 917 HB3 PRO 125 2HB PRO 125 5.372 -19.619 1.833 918 HG2 PRO 125 1HG PRO 125 7.632 -20.034 3.751 919 HG3 PRO 125 2HG PRO 125 7.658 -20.018 1.978 920 HD2 PRO 125 1HD PRO 125 8.429 -17.891 3.466 921 HD3 PRO 125 2HD PRO 125 7.663 -17.715 1.874 922 H ASP 126 H ASP 126 6.884 -18.373 5.590 923 HA ASP 126 HA ASP 126 5.380 -19.997 7.420 924 HB2 ASP 126 1HB ASP 126 7.212 -19.539 8.993 925 HB3 ASP 126 2HB ASP 126 7.829 -20.048 7.424 926 H TRP 127 H TRP 127 6.117 -16.556 7.094 927 HA TRP 127 HA TRP 127 5.251 -15.481 9.419 928 HB2 TRP 127 1HB TRP 127 6.035 -14.055 7.652 929 HB3 TRP 127 2HB TRP 127 4.687 -14.510 6.614 930 HD1 TRP 127 HD TRP 127 5.667 -12.080 9.318 931 HE1 TRP 127 1HE TRP 127 3.712 -10.470 9.776 932 HE3 TRP 127 3HE TRP 127 2.015 -14.455 6.642 933 HZ2 TRP 127 2HZ TRP 127 0.982 -10.238 9.094 934 HZ3 TRP 127 3HZ TRP 127 -0.241 -13.474 6.597 935 HH2 TRP 127 HH TRP 127 -0.745 -11.410 7.798 936 H THR 128 H THR 128 3.279 -14.760 10.292 937 HA THR 128 HA THR 128 0.823 -15.786 9.074 938 HB THR 128 HB THR 128 0.064 -16.602 11.334 939 HG1 THR 128 1HG THR 128 2.616 -15.751 11.952 940 HG21 THR 128 1HG2 THR 128 2.389 -17.945 9.962 941 HG22 THR 128 2HG2 THR 128 0.669 -18.235 9.704 942 HG23 THR 128 3HG2 THR 128 1.427 -18.717 11.221 943 HA PRO 129 HA PRO 129 -0.905 -11.959 10.364 944 HB2 PRO 129 1HB PRO 129 -3.506 -12.662 10.699 945 HB3 PRO 129 2HB PRO 129 -2.749 -12.513 9.109 946 HG2 PRO 129 1HG PRO 129 -3.278 -14.972 10.732 947 HG3 PRO 129 2HG PRO 129 -3.505 -14.709 8.993 948 HD2 PRO 129 1HD PRO 129 -1.358 -16.016 9.999 949 HD3 PRO 129 2HD PRO 129 -1.272 -15.033 8.523 950 HA PRO 130 HA PRO 130 -0.981 -11.869 14.773 951 HB2 PRO 130 1HB PRO 130 -2.198 -9.471 15.141 952 HB3 PRO 130 2HB PRO 130 -0.526 -9.625 14.588 953 HG2 PRO 130 1HG PRO 130 -3.009 -9.120 12.994 954 HG3 PRO 130 2HG PRO 130 -1.413 -8.361 12.849 955 HD2 PRO 130 1HD PRO 130 -2.245 -10.332 11.190 956 HD3 PRO 130 2HD PRO 130 -0.543 -10.127 11.652 957 HA PRO 131 HA PRO 131 -4.899 -13.304 16.177 958 HB2 PRO 131 1HB PRO 131 -4.788 -12.596 18.795 959 HB3 PRO 131 2HB PRO 131 -3.835 -13.922 18.117 960 HG2 PRO 131 1HG PRO 131 -3.007 -11.108 18.716 961 HG3 PRO 131 2HG PRO 131 -2.133 -12.621 19.020 962 HD2 PRO 131 1HD PRO 131 -1.578 -11.016 16.911 963 HD3 PRO 131 2HD PRO 131 -1.398 -12.781 16.841 964 H GLU 132 H GLU 132 -4.199 -10.078 15.832 965 HA GLU 132 HA GLU 132 -6.256 -8.793 17.248 966 HB2 GLU 132 1HB GLU 132 -4.245 -7.749 16.061 967 HB3 GLU 132 2HB GLU 132 -5.192 -7.869 14.585 968 HG2 GLU 132 1HG GLU 132 -5.582 -5.705 15.290 969 HG3 GLU 132 2HG GLU 132 -6.994 -6.578 15.882 970 H VAL 133 H VAL 133 -8.124 -10.080 17.012 971 HA VAL 133 HA VAL 133 -9.275 -10.525 14.409 972 HB VAL 133 HB VAL 133 -10.462 -10.940 17.156 973 HG11 VAL 133 1HG1 VAL 133 -11.985 -10.657 15.054 974 HG12 VAL 133 2HG1 VAL 133 -11.441 -12.293 14.682 975 HG13 VAL 133 3HG1 VAL 133 -12.286 -11.967 16.195 976 HG21 VAL 133 1HG2 VAL 133 -9.972 -13.380 15.850 977 HG22 VAL 133 2HG2 VAL 133 -8.511 -12.412 15.658 978 HG23 VAL 133 3HG2 VAL 133 -9.151 -12.732 17.270 979 H THR 134 H THR 134 -9.886 -8.696 13.385 980 HA THR 134 HA THR 134 -11.462 -6.707 14.853 981 HB THR 134 HB THR 134 -11.171 -5.326 12.756 982 HG1 THR 134 1HG THR 134 -10.384 -6.374 11.101 983 HG21 THR 134 1HG2 THR 134 -9.345 -4.399 13.686 984 HG22 THR 134 2HG2 THR 134 -8.410 -5.889 13.561 985 HG23 THR 134 3HG2 THR 134 -9.518 -5.655 14.911 986 H SER 135 H SER 135 -13.199 -5.623 13.406 987 HA SER 135 HA SER 135 -14.692 -7.696 11.942 988 HB2 SER 135 1HB SER 135 -15.801 -7.557 14.045 989 HB3 SER 135 2HB SER 135 -15.717 -5.795 14.053 990 HG SER 135 HG SER 135 -17.760 -7.043 13.345 991 H GLY 136 H GLY 136 -15.719 -7.056 10.101 992 HA2 GLY 136 1HA GLY 136 -16.025 -4.228 9.501 993 HA3 GLY 136 2HA GLY 136 -14.867 -5.091 8.499 994 HA PRO 137 HA PRO 137 -19.331 -6.840 7.647 995 HB2 PRO 137 1HB PRO 137 -21.330 -5.095 8.222 996 HB3 PRO 137 2HB PRO 137 -20.749 -6.304 9.373 997 HG2 PRO 137 1HG PRO 137 -20.085 -3.391 9.188 998 HG3 PRO 137 2HG PRO 137 -20.437 -4.368 10.624 999 HD2 PRO 137 1HD PRO 137 -17.914 -3.716 9.890 1000 HD3 PRO 137 2HD PRO 137 -18.306 -5.242 10.708 1001 H SER 138 H SER 138 -21.001 -6.167 5.990 1002 HA SER 138 HA SER 138 -19.974 -3.944 4.349 1003 HB2 SER 138 1HB SER 138 -19.466 -6.239 3.441 1004 HB3 SER 138 2HB SER 138 -21.204 -6.493 3.283 1005 HG SER 138 HG SER 138 -20.152 -4.169 2.171 1006 H SER 139 H SER 139 -21.400 -2.424 3.821 1007 HA SER 139 HA SER 139 -24.217 -3.040 3.538 1008 HB2 SER 139 1HB SER 139 -24.938 -1.322 5.160 1009 HB3 SER 139 2HB SER 139 -24.048 -2.625 5.945 1010 HG SER 139 HG SER 139 -22.170 -1.060 5.485 1011 H GLY 140 H GLY 140 -25.203 -1.730 2.092 1012 HA2 GLY 140 1HA GLY 140 -24.941 0.883 1.519 1013 HA3 GLY 140 2HA GLY 140 -23.538 0.200 0.710 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -1.844 -29.861 -11.970 2 HA2 GLY 1 1HA GLY 1 -0.392 -27.314 -12.333 3 HA3 GLY 1 2HA GLY 1 -0.749 -28.373 -13.690 4 H SER 2 H SER 2 -1.579 -25.546 -12.782 5 HA SER 2 HA SER 2 -4.253 -25.722 -13.823 6 HB2 SER 2 1HB SER 2 -3.759 -25.283 -10.919 7 HB3 SER 2 2HB SER 2 -5.007 -24.301 -11.687 8 HG SER 2 HG SER 2 -5.943 -26.188 -10.939 9 H SER 3 H SER 3 -4.485 -24.043 -15.130 10 HA SER 3 HA SER 3 -3.601 -21.401 -14.341 11 HB2 SER 3 1HB SER 3 -2.247 -21.045 -16.378 12 HB3 SER 3 2HB SER 3 -1.563 -22.305 -15.351 13 HG SER 3 HG SER 3 -3.360 -23.118 -17.310 14 H GLY 4 H GLY 4 -4.160 -19.771 -16.108 15 HA2 GLY 4 1HA GLY 4 -5.750 -20.090 -18.265 16 HA3 GLY 4 2HA GLY 4 -6.881 -20.308 -16.937 17 H SER 5 H SER 5 -6.117 -18.141 -19.100 18 HA SER 5 HA SER 5 -6.916 -15.921 -17.423 19 HB2 SER 5 1HB SER 5 -4.458 -15.884 -17.215 20 HB3 SER 5 2HB SER 5 -4.314 -15.809 -18.971 21 HG SER 5 HG SER 5 -5.792 -13.891 -17.515 22 H SER 6 H SER 6 -8.042 -14.387 -18.529 23 HA SER 6 HA SER 6 -8.888 -15.050 -21.187 24 HB2 SER 6 1HB SER 6 -9.531 -12.651 -19.454 25 HB3 SER 6 2HB SER 6 -10.336 -13.050 -20.971 26 HG SER 6 HG SER 6 -11.552 -13.855 -19.271 27 H GLY 7 H GLY 7 -8.664 -13.787 -23.067 28 HA2 GLY 7 1HA GLY 7 -6.195 -12.198 -23.092 29 HA3 GLY 7 2HA GLY 7 -6.956 -12.938 -24.493 30 H ASP 8 H ASP 8 -8.082 -10.710 -21.948 31 HA ASP 8 HA ASP 8 -9.119 -8.970 -24.085 32 HB2 ASP 8 1HB ASP 8 -10.023 -9.107 -21.202 33 HB3 ASP 8 2HB ASP 8 -10.765 -8.165 -22.491 34 H ASP 9 H ASP 9 -8.511 -6.876 -24.190 35 HA ASP 9 HA ASP 9 -6.328 -6.045 -22.453 36 HB2 ASP 9 1HB ASP 9 -7.483 -4.553 -24.813 37 HB3 ASP 9 2HB ASP 9 -5.912 -4.309 -24.054 38 H ASP 10 H ASP 10 -8.714 -6.181 -21.085 39 HA ASP 10 HA ASP 10 -9.643 -3.407 -20.862 40 HB2 ASP 10 1HB ASP 10 -11.170 -5.564 -21.028 41 HB3 ASP 10 2HB ASP 10 -10.871 -5.632 -19.293 42 H LEU 11 H LEU 11 -7.955 -5.927 -19.146 43 HA LEU 11 HA LEU 11 -7.913 -4.390 -16.671 44 HB2 LEU 11 1HB LEU 11 -6.546 -7.003 -17.280 45 HB3 LEU 11 2HB LEU 11 -6.826 -6.292 -15.692 46 HG LEU 11 HG LEU 11 -9.367 -6.521 -16.538 47 HD11 LEU 11 1HD1 LEU 11 -8.825 -7.528 -18.658 48 HD12 LEU 11 2HD1 LEU 11 -9.607 -8.725 -17.626 49 HD13 LEU 11 3HD1 LEU 11 -7.860 -8.771 -17.861 50 HD21 LEU 11 1HD2 LEU 11 -7.866 -8.846 -15.357 51 HD22 LEU 11 2HD2 LEU 11 -9.548 -8.389 -15.091 52 HD23 LEU 11 3HD2 LEU 11 -8.248 -7.383 -14.450 53 H GLU 12 H GLU 12 -6.710 -2.586 -17.457 54 HA GLU 12 HA GLU 12 -3.879 -3.144 -18.026 55 HB2 GLU 12 1HB GLU 12 -5.483 -1.684 -19.547 56 HB3 GLU 12 2HB GLU 12 -5.063 -0.429 -18.390 57 HG2 GLU 12 1HG GLU 12 -2.701 -0.749 -18.878 58 HG3 GLU 12 2HG GLU 12 -3.103 -2.034 -20.016 59 H VAL 13 H VAL 13 -2.287 -1.657 -17.096 60 HA VAL 13 HA VAL 13 -3.104 -0.240 -14.685 61 HB VAL 13 HB VAL 13 -1.095 -2.495 -14.625 62 HG11 VAL 13 1HG1 VAL 13 -1.519 -0.177 -12.870 63 HG12 VAL 13 2HG1 VAL 13 -1.408 -1.733 -12.045 64 HG13 VAL 13 3HG1 VAL 13 -0.093 -1.190 -13.090 65 HG21 VAL 13 1HG2 VAL 13 -3.638 -2.186 -13.042 66 HG22 VAL 13 2HG2 VAL 13 -3.532 -3.100 -14.546 67 HG23 VAL 13 3HG2 VAL 13 -2.592 -3.603 -13.141 68 H LYS 14 H LYS 14 -1.825 1.478 -14.216 69 HA LYS 14 HA LYS 14 0.336 2.049 -16.102 70 HB2 LYS 14 1HB LYS 14 -1.120 3.831 -14.140 71 HB3 LYS 14 2HB LYS 14 0.165 4.369 -15.215 72 HG2 LYS 14 1HG LYS 14 -1.675 4.982 -16.417 73 HG3 LYS 14 2HG LYS 14 -1.393 3.366 -17.070 74 HD2 LYS 14 1HD LYS 14 -3.707 3.478 -16.624 75 HD3 LYS 14 2HD LYS 14 -3.015 2.528 -15.307 76 HE2 LYS 14 1HE LYS 14 -4.366 3.962 -14.133 77 HE3 LYS 14 2HE LYS 14 -2.852 4.865 -14.127 78 HZ1 LYS 14 1HZ LYS 14 -5.275 5.775 -15.002 79 HZ2 LYS 14 2HZ LYS 14 -4.435 5.442 -16.431 80 HZ3 LYS 14 3HZ LYS 14 -3.773 6.500 -15.289 81 H GLU 15 H GLU 15 2.129 3.498 -15.045 82 HA GLU 15 HA GLU 15 2.851 2.783 -12.353 83 HB2 GLU 15 1HB GLU 15 4.785 1.496 -12.804 84 HB3 GLU 15 2HB GLU 15 3.503 0.786 -13.774 85 HG2 GLU 15 1HG GLU 15 4.388 2.275 -15.667 86 HG3 GLU 15 2HG GLU 15 5.824 2.451 -14.661 87 H GLU 16 H GLU 16 4.300 4.195 -11.480 88 HA GLU 16 HA GLU 16 5.562 6.133 -13.301 89 HB2 GLU 16 1HB GLU 16 3.915 6.646 -10.845 90 HB3 GLU 16 2HB GLU 16 5.160 7.788 -11.331 91 HG2 GLU 16 1HG GLU 16 2.940 6.885 -13.144 92 HG3 GLU 16 2HG GLU 16 2.847 8.316 -12.120 93 H ASN 17 H ASN 17 7.653 5.565 -13.164 94 HA ASN 17 HA ASN 17 9.741 5.274 -12.310 95 HB2 ASN 17 1HB ASN 17 8.393 6.873 -10.174 96 HB3 ASN 17 2HB ASN 17 9.974 6.175 -9.833 97 HD21 ASN 17 1HD2 ASN 17 10.646 8.402 -9.637 98 HD22 ASN 17 2HD2 ASN 17 11.066 9.290 -11.058 99 H GLY 18 H GLY 18 7.875 3.131 -12.133 100 HA2 GLY 18 1HA GLY 18 8.301 0.941 -11.344 101 HA3 GLY 18 2HA GLY 18 9.147 1.629 -9.966 102 H VAL 19 H VAL 19 6.796 3.550 -9.667 103 HA VAL 19 HA VAL 19 5.301 1.854 -7.865 104 HB VAL 19 HB VAL 19 4.964 4.794 -8.474 105 HG11 VAL 19 1HG1 VAL 19 4.044 3.620 -5.922 106 HG12 VAL 19 2HG1 VAL 19 3.349 4.921 -6.891 107 HG13 VAL 19 3HG1 VAL 19 3.093 3.239 -7.357 108 HG21 VAL 19 1HG2 VAL 19 7.171 3.956 -7.455 109 HG22 VAL 19 2HG2 VAL 19 6.329 5.276 -6.643 110 HG23 VAL 19 3HG2 VAL 19 6.216 3.635 -6.007 111 H TRP 20 H TRP 20 3.881 0.540 -8.862 112 HA TRP 20 HA TRP 20 2.452 1.187 -11.213 113 HB2 TRP 20 1HB TRP 20 1.837 -0.905 -9.114 114 HB3 TRP 20 2HB TRP 20 1.135 -0.838 -10.728 115 HD1 TRP 20 HD TRP 20 4.199 -1.998 -8.860 116 HE1 TRP 20 1HE TRP 20 5.788 -3.204 -10.487 117 HE3 TRP 20 3HE TRP 20 1.915 -0.786 -13.270 118 HZ2 TRP 20 2HZ TRP 20 6.040 -3.589 -13.272 119 HZ3 TRP 20 3HZ TRP 20 2.894 -1.612 -15.371 120 HH2 TRP 20 HH TRP 20 4.914 -2.984 -15.370 121 H VAL 21 H VAL 21 0.238 1.652 -11.501 122 HA VAL 21 HA VAL 21 -0.959 3.080 -9.226 123 HB VAL 21 HB VAL 21 -1.539 3.364 -12.178 124 HG11 VAL 21 1HG1 VAL 21 -2.503 5.132 -9.944 125 HG12 VAL 21 2HG1 VAL 21 -3.013 5.132 -11.633 126 HG13 VAL 21 3HG1 VAL 21 -3.451 3.788 -10.579 127 HG21 VAL 21 1HG2 VAL 21 -0.560 5.740 -10.935 128 HG22 VAL 21 2HG2 VAL 21 0.557 4.415 -10.605 129 HG23 VAL 21 3HG2 VAL 21 0.136 4.820 -12.269 130 H LEU 22 H LEU 22 -2.163 1.581 -8.169 131 HA LEU 22 HA LEU 22 -3.891 -0.221 -9.663 132 HB2 LEU 22 1HB LEU 22 -3.320 0.079 -6.721 133 HB3 LEU 22 2HB LEU 22 -4.465 -1.086 -7.383 134 HG LEU 22 HG LEU 22 -1.480 -1.034 -7.811 135 HD11 LEU 22 1HD1 LEU 22 -3.332 -2.868 -6.306 136 HD12 LEU 22 2HD1 LEU 22 -1.999 -1.908 -5.665 137 HD13 LEU 22 3HD1 LEU 22 -1.668 -3.285 -6.717 138 HD21 LEU 22 1HD2 LEU 22 -3.641 -2.705 -9.066 139 HD22 LEU 22 2HD2 LEU 22 -1.961 -3.236 -8.979 140 HD23 LEU 22 3HD2 LEU 22 -2.377 -1.766 -9.861 141 H ASN 23 H ASN 23 -6.176 -0.444 -9.064 142 HA ASN 23 HA ASN 23 -7.483 1.753 -7.747 143 HB2 ASN 23 1HB ASN 23 -8.918 2.031 -9.979 144 HB3 ASN 23 2HB ASN 23 -7.478 2.997 -9.670 145 HD21 ASN 23 1HD2 ASN 23 -8.809 0.318 -11.449 146 HD22 ASN 23 2HD2 ASN 23 -7.548 0.216 -12.626 147 H ASP 24 H ASP 24 -9.875 1.475 -7.750 148 HA ASP 24 HA ASP 24 -10.638 -1.036 -6.909 149 HB2 ASP 24 1HB ASP 24 -12.611 0.807 -8.232 150 HB3 ASP 24 2HB ASP 24 -12.841 -0.233 -6.829 151 H GLY 25 H GLY 25 -10.114 0.033 -10.100 152 HA2 GLY 25 1HA GLY 25 -11.848 -1.949 -11.328 153 HA3 GLY 25 2HA GLY 25 -10.799 -0.816 -12.166 154 H ASN 26 H ASN 26 -8.418 -1.502 -10.684 155 HA ASN 26 HA ASN 26 -7.945 -4.214 -11.739 156 HB2 ASN 26 1HB ASN 26 -5.730 -3.566 -12.389 157 HB3 ASN 26 2HB ASN 26 -6.840 -2.359 -13.031 158 HD21 ASN 26 1HD2 ASN 26 -5.513 -0.640 -13.117 159 HD22 ASN 26 2HD2 ASN 26 -4.755 0.078 -11.740 160 H PHE 27 H PHE 27 -8.588 -2.981 -8.982 161 HA PHE 27 HA PHE 27 -6.321 -3.379 -7.339 162 HB2 PHE 27 1HB PHE 27 -8.402 -2.082 -6.732 163 HB3 PHE 27 2HB PHE 27 -9.209 -3.628 -6.492 164 HD1 PHE 27 1HD PHE 27 -6.711 -1.303 -5.195 165 HD2 PHE 27 2HD PHE 27 -8.659 -5.041 -4.608 166 HE1 PHE 27 1HE PHE 27 -5.864 -1.378 -2.886 167 HE2 PHE 27 2HE PHE 27 -7.817 -5.122 -2.298 168 HZ PHE 27 HZ PHE 27 -6.418 -3.289 -1.434 169 H ASP 28 H ASP 28 -9.263 -5.384 -7.574 170 HA ASP 28 HA ASP 28 -8.100 -7.605 -6.260 171 HB2 ASP 28 1HB ASP 28 -10.136 -8.768 -7.542 172 HB3 ASP 28 2HB ASP 28 -10.376 -7.752 -6.124 173 H ASN 29 H ASN 29 -8.670 -6.876 -9.685 174 HA ASN 29 HA ASN 29 -7.844 -9.268 -10.806 175 HB2 ASN 29 1HB ASN 29 -7.551 -6.442 -11.838 176 HB3 ASN 29 2HB ASN 29 -7.216 -7.871 -12.811 177 HD21 ASN 29 1HD2 ASN 29 -9.599 -5.776 -11.582 178 HD22 ASN 29 2HD2 ASN 29 -10.979 -6.577 -12.246 179 H PHE 30 H PHE 30 -5.884 -6.448 -9.911 180 HA PHE 30 HA PHE 30 -3.422 -7.485 -10.820 181 HB2 PHE 30 1HB PHE 30 -3.889 -5.076 -10.292 182 HB3 PHE 30 2HB PHE 30 -3.836 -5.495 -8.583 183 HD1 PHE 30 1HD PHE 30 -1.817 -5.515 -11.693 184 HD2 PHE 30 2HD PHE 30 -1.809 -5.564 -7.437 185 HE1 PHE 30 1HE PHE 30 0.623 -5.200 -11.697 186 HE2 PHE 30 2HE PHE 30 0.631 -5.249 -7.434 187 HZ PHE 30 HZ PHE 30 1.850 -5.065 -9.566 188 H VAL 31 H VAL 31 -4.668 -7.198 -7.489 189 HA VAL 31 HA VAL 31 -2.623 -8.858 -6.396 190 HB VAL 31 HB VAL 31 -3.798 -8.707 -4.309 191 HG11 VAL 31 1HG1 VAL 31 -4.440 -6.089 -4.546 192 HG12 VAL 31 2HG1 VAL 31 -2.791 -6.696 -4.390 193 HG13 VAL 31 3HG1 VAL 31 -3.445 -6.316 -5.984 194 HG21 VAL 31 1HG2 VAL 31 -6.124 -7.841 -6.004 195 HG22 VAL 31 2HG2 VAL 31 -6.037 -9.179 -4.858 196 HG23 VAL 31 3HG2 VAL 31 -6.051 -7.516 -4.272 197 H ALA 32 H ALA 32 -5.045 -9.680 -8.387 198 HA ALA 32 HA ALA 32 -6.368 -11.835 -7.225 199 HB1 ALA 32 1HB ALA 32 -6.626 -10.672 -9.563 200 HB2 ALA 32 2HB ALA 32 -5.572 -11.984 -10.092 201 HB3 ALA 32 3HB ALA 32 -7.119 -12.349 -9.329 202 H ASP 33 H ASP 33 -3.396 -11.880 -9.196 203 HA ASP 33 HA ASP 33 -2.789 -14.525 -8.049 204 HB2 ASP 33 1HB ASP 33 -3.139 -14.260 -10.595 205 HB3 ASP 33 2HB ASP 33 -1.567 -13.465 -10.585 206 H LYS 34 H LYS 34 -2.167 -12.416 -6.480 207 HA LYS 34 HA LYS 34 0.765 -12.370 -6.639 208 HB2 LYS 34 1HB LYS 34 -1.015 -9.999 -6.046 209 HB3 LYS 34 2HB LYS 34 0.729 -10.013 -5.821 210 HG2 LYS 34 1HG LYS 34 0.912 -10.574 -8.278 211 HG3 LYS 34 2HG LYS 34 -0.808 -10.193 -8.394 212 HD2 LYS 34 1HD LYS 34 0.125 -8.161 -8.928 213 HD3 LYS 34 2HD LYS 34 -0.084 -7.982 -7.185 214 HE2 LYS 34 1HE LYS 34 2.463 -8.917 -8.498 215 HE3 LYS 34 2HE LYS 34 2.142 -7.244 -8.047 216 HZ1 LYS 34 1HZ LYS 34 3.308 -8.074 -6.249 217 HZ2 LYS 34 2HZ LYS 34 2.544 -9.582 -6.297 218 HZ3 LYS 34 3HZ LYS 34 1.704 -8.226 -5.734 219 H ASP 35 H ASP 35 1.162 -13.746 -4.985 220 HA ASP 35 HA ASP 35 -0.196 -14.271 -2.710 221 HB2 ASP 35 1HB ASP 35 2.735 -14.177 -3.295 222 HB3 ASP 35 2HB ASP 35 2.208 -14.468 -1.639 223 H THR 36 H THR 36 2.188 -11.650 -3.052 224 HA THR 36 HA THR 36 0.875 -10.290 -0.794 225 HB THR 36 HB THR 36 3.853 -10.358 -1.322 226 HG1 THR 36 1HG THR 36 2.676 -11.258 1.060 227 HG21 THR 36 1HG2 THR 36 3.905 -8.436 -0.187 228 HG22 THR 36 2HG2 THR 36 3.341 -9.335 1.222 229 HG23 THR 36 3HG2 THR 36 2.180 -8.530 0.167 230 H VAL 37 H VAL 37 0.486 -8.147 -1.043 231 HA VAL 37 HA VAL 37 1.668 -6.762 -3.344 232 HB VAL 37 HB VAL 37 -1.285 -6.740 -2.705 233 HG11 VAL 37 1HG1 VAL 37 -0.871 -5.628 -5.209 234 HG12 VAL 37 2HG1 VAL 37 -1.263 -4.758 -3.724 235 HG13 VAL 37 3HG1 VAL 37 0.420 -4.951 -4.217 236 HG21 VAL 37 1HG2 VAL 37 -0.825 -7.576 -5.343 237 HG22 VAL 37 2HG2 VAL 37 0.299 -8.491 -4.338 238 HG23 VAL 37 3HG2 VAL 37 -1.431 -8.543 -3.997 239 H LEU 38 H LEU 38 2.493 -4.875 -2.750 240 HA LEU 38 HA LEU 38 1.802 -3.760 -0.155 241 HB2 LEU 38 1HB LEU 38 4.130 -3.897 -0.608 242 HB3 LEU 38 2HB LEU 38 3.934 -3.120 -2.178 243 HG LEU 38 HG LEU 38 3.310 -1.021 -0.980 244 HD11 LEU 38 1HD1 LEU 38 3.285 -2.786 1.256 245 HD12 LEU 38 2HD1 LEU 38 2.845 -1.080 1.184 246 HD13 LEU 38 3HD1 LEU 38 4.512 -1.547 1.520 247 HD21 LEU 38 1HD2 LEU 38 5.671 -0.624 -0.105 248 HD22 LEU 38 2HD2 LEU 38 5.509 -1.111 -1.792 249 HD23 LEU 38 3HD2 LEU 38 6.002 -2.291 -0.577 250 H LEU 39 H LEU 39 0.080 -2.474 -0.079 251 HA LEU 39 HA LEU 39 -0.442 -0.664 -2.335 252 HB2 LEU 39 1HB LEU 39 -2.285 -1.467 -0.090 253 HB3 LEU 39 2HB LEU 39 -2.710 -0.499 -1.500 254 HG LEU 39 HG LEU 39 -1.741 -3.327 -1.778 255 HD11 LEU 39 1HD1 LEU 39 -4.431 -3.516 -2.079 256 HD12 LEU 39 2HD1 LEU 39 -4.313 -2.375 -0.740 257 HD13 LEU 39 3HD1 LEU 39 -3.551 -3.960 -0.616 258 HD21 LEU 39 1HD2 LEU 39 -2.034 -2.926 -3.938 259 HD22 LEU 39 2HD2 LEU 39 -2.470 -1.258 -3.564 260 HD23 LEU 39 3HD2 LEU 39 -3.721 -2.500 -3.649 261 H GLU 40 H GLU 40 -0.286 1.482 -2.097 262 HA GLU 40 HA GLU 40 -0.039 2.566 0.629 263 HB2 GLU 40 1HB GLU 40 2.180 2.440 -0.416 264 HB3 GLU 40 2HB GLU 40 1.592 3.370 -1.787 265 HG2 GLU 40 1HG GLU 40 1.321 4.551 0.922 266 HG3 GLU 40 2HG GLU 40 2.924 4.490 0.191 267 H PHE 41 H PHE 41 -1.518 4.054 1.048 268 HA PHE 41 HA PHE 41 -3.003 5.262 -1.148 269 HB2 PHE 41 1HB PHE 41 -3.464 5.400 1.839 270 HB3 PHE 41 2HB PHE 41 -4.547 6.037 0.606 271 HD1 PHE 41 2HD PHE 41 -3.202 2.988 2.142 272 HD2 PHE 41 1HD PHE 41 -5.986 4.598 -0.647 273 HE1 PHE 41 2HE PHE 41 -4.339 0.809 2.022 274 HE2 PHE 41 1HE PHE 41 -7.127 2.422 -0.770 275 HZ PHE 41 HZ PHE 41 -6.303 0.523 0.565 276 H TYR 42 H TYR 42 -3.035 7.408 -1.628 277 HA TYR 42 HA TYR 42 -1.574 9.276 0.074 278 HB2 TYR 42 1HB TYR 42 -0.044 9.973 -1.542 279 HB3 TYR 42 2HB TYR 42 -0.068 8.227 -1.762 280 HD1 TYR 42 2HD TYR 42 -1.366 11.417 -3.129 281 HD2 TYR 42 1HD TYR 42 -0.706 7.272 -3.824 282 HE1 TYR 42 2HE TYR 42 -1.935 11.730 -5.502 283 HE2 TYR 42 1HE TYR 42 -1.271 7.574 -6.199 284 HH TYR 42 HH TYR 42 -2.483 9.101 -7.623 285 H ALA 43 H ALA 43 -1.806 11.561 -0.781 286 HA ALA 43 HA ALA 43 -4.303 11.939 -2.275 287 HB1 ALA 43 1HB ALA 43 -5.320 13.246 -0.680 288 HB2 ALA 43 2HB ALA 43 -4.507 12.048 0.327 289 HB3 ALA 43 3HB ALA 43 -3.799 13.650 0.116 290 HA PRO 44 HA PRO 44 -1.925 14.975 -4.411 291 HB2 PRO 44 1HB PRO 44 -3.965 16.371 -5.534 292 HB3 PRO 44 2HB PRO 44 -3.470 14.771 -6.099 293 HG2 PRO 44 1HG PRO 44 -5.736 15.526 -4.294 294 HG3 PRO 44 2HG PRO 44 -5.711 14.362 -5.631 295 HD2 PRO 44 1HD PRO 44 -5.536 13.606 -3.037 296 HD3 PRO 44 2HD PRO 44 -4.731 12.718 -4.347 297 H TRP 45 H TRP 45 -4.320 15.790 -2.036 298 HA TRP 45 HA TRP 45 -3.571 18.598 -1.986 299 HB2 TRP 45 1HB TRP 45 -5.212 18.591 0.004 300 HB3 TRP 45 2HB TRP 45 -5.867 18.313 -1.607 301 HD1 TRP 45 HD TRP 45 -7.087 16.048 -2.040 302 HE1 TRP 45 1HE TRP 45 -7.675 14.023 -0.564 303 HE3 TRP 45 3HE TRP 45 -4.242 17.175 2.056 304 HZ2 TRP 45 2HZ TRP 45 -7.019 13.034 1.997 305 HZ3 TRP 45 3HZ TRP 45 -4.279 15.637 3.976 306 HH2 TRP 45 HH TRP 45 -5.640 13.611 3.946 307 H CYS 46 H CYS 46 -2.901 15.651 -0.275 308 HA CYS 46 HA CYS 46 -1.860 16.818 2.095 309 HB2 CYS 46 1HB CYS 46 -2.606 14.390 1.713 310 HB3 CYS 46 2HB CYS 46 -1.023 14.146 0.985 311 HG CYS 46 HG CYS 46 -1.102 13.168 3.650 312 H GLY 47 H GLY 47 -0.208 18.204 2.042 313 HA2 GLY 47 1HA GLY 47 1.752 18.307 0.015 314 HA3 GLY 47 2HA GLY 47 1.844 19.120 1.570 315 H HIS 48 H HIS 48 1.959 17.096 3.358 316 HA HIS 48 HA HIS 48 4.567 16.394 3.545 317 HB2 HIS 48 1HB HIS 48 2.433 14.446 4.390 318 HB3 HIS 48 2HB HIS 48 3.969 14.796 5.176 319 HD1 HIS 48 1HD HIS 48 3.788 17.839 5.420 320 HD2 HIS 48 2HD HIS 48 0.642 15.260 6.264 321 HE1 HIS 48 1HE HIS 48 2.279 19.107 6.982 322 HE2 HIS 48 2HE HIS 48 0.427 17.496 7.546 323 H CYS 49 H CYS 49 2.052 14.553 1.864 324 HA CYS 49 HA CYS 49 3.432 12.266 1.214 325 HB2 CYS 49 1HB CYS 49 1.349 13.829 -0.295 326 HB3 CYS 49 2HB CYS 49 2.013 12.332 -0.940 327 HG CYS 49 HG CYS 49 -0.149 11.260 0.095 328 H LYS 50 H LYS 50 3.429 15.356 -0.534 329 HA LYS 50 HA LYS 50 4.907 14.758 -2.744 330 HB2 LYS 50 1HB LYS 50 4.932 17.204 -0.988 331 HB3 LYS 50 2HB LYS 50 5.894 17.116 -2.458 332 HG2 LYS 50 1HG LYS 50 4.031 17.083 -3.832 333 HG3 LYS 50 2HG LYS 50 2.962 16.541 -2.537 334 HD2 LYS 50 1HD LYS 50 3.205 18.728 -1.442 335 HD3 LYS 50 2HD LYS 50 4.243 19.265 -2.764 336 HE2 LYS 50 1HE LYS 50 2.428 19.023 -4.339 337 HE3 LYS 50 2HE LYS 50 1.390 18.341 -3.087 338 HZ1 LYS 50 1HZ LYS 50 2.276 20.763 -2.106 339 HZ2 LYS 50 2HZ LYS 50 0.722 20.397 -2.667 340 HZ3 LYS 50 3HZ LYS 50 1.867 21.061 -3.721 341 H GLN 51 H GLN 51 6.105 15.259 0.536 342 HA GLN 51 HA GLN 51 8.865 15.106 -0.180 343 HB2 GLN 51 1HB GLN 51 7.570 14.690 2.519 344 HB3 GLN 51 2HB GLN 51 9.278 14.987 2.224 345 HG2 GLN 51 1HG GLN 51 8.352 17.155 1.055 346 HG3 GLN 51 2HG GLN 51 6.976 16.860 2.117 347 HE21 GLN 51 1HE2 GLN 51 10.130 18.073 1.864 348 HE22 GLN 51 2HE2 GLN 51 10.383 18.439 3.534 349 H PHE 52 H PHE 52 6.433 12.805 0.871 350 HA PHE 52 HA PHE 52 8.381 10.656 1.060 351 HB2 PHE 52 1HB PHE 52 6.456 10.868 2.661 352 HB3 PHE 52 2HB PHE 52 5.375 10.489 1.324 353 HD1 PHE 52 1HD PHE 52 8.331 9.146 3.142 354 HD2 PHE 52 2HD PHE 52 4.821 8.289 0.892 355 HE1 PHE 52 1HE PHE 52 8.639 6.745 3.583 356 HE2 PHE 52 2HE PHE 52 5.123 5.887 1.329 357 HZ PHE 52 HZ PHE 52 7.034 5.112 2.677 358 H ALA 53 H ALA 53 6.995 12.166 -1.436 359 HA ALA 53 HA ALA 53 5.909 10.086 -3.010 360 HB1 ALA 53 1HB ALA 53 7.084 12.071 -4.680 361 HB2 ALA 53 2HB ALA 53 5.381 11.808 -4.302 362 HB3 ALA 53 3HB ALA 53 6.358 12.864 -3.282 363 HA PRO 54 HA PRO 54 10.232 9.843 -5.143 364 HB2 PRO 54 1HB PRO 54 12.279 11.206 -3.993 365 HB3 PRO 54 2HB PRO 54 11.220 11.916 -5.216 366 HG2 PRO 54 1HG PRO 54 11.135 12.206 -2.238 367 HG3 PRO 54 2HG PRO 54 10.928 13.446 -3.489 368 HD2 PRO 54 1HD PRO 54 8.834 12.320 -2.193 369 HD3 PRO 54 2HD PRO 54 8.732 12.863 -3.880 370 H GLU 55 H GLU 55 9.665 9.680 -1.786 371 HA GLU 55 HA GLU 55 11.970 8.043 -1.173 372 HB2 GLU 55 1HB GLU 55 10.956 9.611 0.484 373 HB3 GLU 55 2HB GLU 55 9.526 8.590 0.517 374 HG2 GLU 55 1HG GLU 55 10.799 8.000 2.401 375 HG3 GLU 55 2HG GLU 55 11.027 6.702 1.231 376 H TYR 56 H TYR 56 8.513 7.602 -1.714 377 HA TYR 56 HA TYR 56 8.441 4.849 -1.041 378 HB2 TYR 56 1HB TYR 56 6.458 6.412 -1.189 379 HB3 TYR 56 2HB TYR 56 6.576 6.277 -2.940 380 HD1 TYR 56 1HD TYR 56 6.831 3.759 -0.188 381 HD2 TYR 56 2HD TYR 56 4.823 4.999 -3.728 382 HE1 TYR 56 1HE TYR 56 5.458 1.719 -0.117 383 HE2 TYR 56 2HE TYR 56 3.444 2.964 -3.666 384 HH TYR 56 HH TYR 56 2.877 1.159 -2.480 385 H GLU 57 H GLU 57 8.712 6.564 -4.139 386 HA GLU 57 HA GLU 57 8.639 4.452 -5.894 387 HB2 GLU 57 1HB GLU 57 10.124 5.823 -7.361 388 HB3 GLU 57 2HB GLU 57 8.746 6.703 -6.716 389 HG2 GLU 57 1HG GLU 57 10.357 8.246 -6.345 390 HG3 GLU 57 2HG GLU 57 10.497 7.340 -4.839 391 H LYS 58 H LYS 58 11.386 5.597 -3.986 392 HA LYS 58 HA LYS 58 13.426 4.083 -5.056 393 HB2 LYS 58 1HB LYS 58 12.896 4.930 -2.211 394 HB3 LYS 58 2HB LYS 58 14.376 4.108 -2.689 395 HG2 LYS 58 1HG LYS 58 14.689 5.966 -4.385 396 HG3 LYS 58 2HG LYS 58 13.396 6.816 -3.536 397 HD2 LYS 58 1HD LYS 58 15.663 5.728 -1.941 398 HD3 LYS 58 2HD LYS 58 15.937 7.181 -2.906 399 HE2 LYS 58 1HE LYS 58 13.911 8.173 -1.809 400 HE3 LYS 58 2HE LYS 58 13.887 6.776 -0.734 401 HZ1 LYS 58 1HZ LYS 58 15.453 9.116 -0.555 402 HZ2 LYS 58 2HZ LYS 58 16.473 7.774 -0.691 403 HZ3 LYS 58 3HZ LYS 58 15.323 7.840 0.549 404 H ILE 59 H ILE 59 11.286 3.155 -2.358 405 HA ILE 59 HA ILE 59 12.282 0.573 -1.996 406 HB ILE 59 HB ILE 59 9.458 1.541 -1.537 407 HG12 ILE 59 1HG1 ILE 59 11.526 1.227 0.606 408 HG13 ILE 59 2HG1 ILE 59 11.541 2.674 -0.397 409 HG21 ILE 59 1HG2 ILE 59 8.964 -0.522 -0.893 410 HG22 ILE 59 2HG2 ILE 59 10.586 -1.052 -1.337 411 HG23 ILE 59 3HG2 ILE 59 10.265 -0.470 0.297 412 HD11 ILE 59 1HD1 ILE 59 9.235 1.710 1.278 413 HD12 ILE 59 2HD1 ILE 59 10.321 3.046 1.664 414 HD13 ILE 59 3HD1 ILE 59 9.246 3.158 0.271 415 H ALA 60 H ALA 60 9.867 1.813 -4.231 416 HA ALA 60 HA ALA 60 8.552 -0.360 -5.136 417 HB1 ALA 60 1HB ALA 60 7.985 0.904 -6.900 418 HB2 ALA 60 2HB ALA 60 8.901 2.166 -6.076 419 HB3 ALA 60 3HB ALA 60 9.663 1.212 -7.348 420 H SER 61 H SER 61 11.779 0.604 -6.310 421 HA SER 61 HA SER 61 12.124 -1.756 -7.870 422 HB2 SER 61 1HB SER 61 13.788 0.591 -7.129 423 HB3 SER 61 2HB SER 61 14.649 -0.870 -7.613 424 HG SER 61 HG SER 61 13.357 -0.854 -9.535 425 H THR 62 H THR 62 13.383 -0.689 -4.728 426 HA THR 62 HA THR 62 15.109 -2.694 -4.087 427 HB THR 62 HB THR 62 13.065 -1.570 -2.163 428 HG1 THR 62 1HG THR 62 14.809 -0.237 -3.555 429 HG21 THR 62 1HG2 THR 62 14.675 -2.062 -0.446 430 HG22 THR 62 2HG2 THR 62 15.859 -2.587 -1.643 431 HG23 THR 62 3HG2 THR 62 14.394 -3.532 -1.377 432 H LEU 63 H LEU 63 11.651 -2.773 -3.198 433 HA LEU 63 HA LEU 63 11.666 -5.483 -2.426 434 HB2 LEU 63 1HB LEU 63 9.439 -3.637 -3.253 435 HB3 LEU 63 2HB LEU 63 9.163 -5.282 -2.684 436 HG LEU 63 HG LEU 63 10.560 -3.181 -1.038 437 HD11 LEU 63 1HD1 LEU 63 8.525 -2.678 0.036 438 HD12 LEU 63 2HD1 LEU 63 7.681 -4.002 -0.767 439 HD13 LEU 63 3HD1 LEU 63 8.186 -2.588 -1.692 440 HD21 LEU 63 1HD2 LEU 63 9.296 -5.834 -0.357 441 HD22 LEU 63 2HD2 LEU 63 9.960 -4.692 0.811 442 HD23 LEU 63 3HD2 LEU 63 11.020 -5.463 -0.370 443 H LYS 64 H LYS 64 11.081 -3.892 -5.495 444 HA LYS 64 HA LYS 64 9.819 -5.733 -7.019 445 HB2 LYS 64 1HB LYS 64 11.011 -3.483 -7.650 446 HB3 LYS 64 2HB LYS 64 12.339 -4.539 -8.112 447 HG2 LYS 64 1HG LYS 64 11.195 -5.441 -9.874 448 HG3 LYS 64 2HG LYS 64 9.616 -5.148 -9.141 449 HD2 LYS 64 1HD LYS 64 9.706 -3.596 -10.877 450 HD3 LYS 64 2HD LYS 64 10.172 -2.652 -9.460 451 HE2 LYS 64 1HE LYS 64 12.368 -2.502 -10.116 452 HE3 LYS 64 2HE LYS 64 12.302 -3.992 -11.055 453 HZ1 LYS 64 1HZ LYS 64 12.325 -1.615 -12.180 454 HZ2 LYS 64 2HZ LYS 64 10.653 -1.767 -11.973 455 HZ3 LYS 64 3HZ LYS 64 11.504 -2.925 -12.867 456 H ASP 65 H ASP 65 13.350 -5.726 -6.504 457 HA ASP 65 HA ASP 65 13.669 -8.310 -7.697 458 HB2 ASP 65 1HB ASP 65 15.611 -6.721 -6.007 459 HB3 ASP 65 2HB ASP 65 16.010 -8.112 -7.012 460 H ASN 66 H ASN 66 13.450 -7.058 -4.416 461 HA ASN 66 HA ASN 66 14.313 -8.981 -2.788 462 HB2 ASN 66 1HB ASN 66 13.021 -7.013 -2.033 463 HB3 ASN 66 2HB ASN 66 11.539 -7.789 -2.582 464 HD21 ASN 66 1HD2 ASN 66 10.677 -9.477 -1.412 465 HD22 ASN 66 2HD2 ASN 66 11.210 -9.873 0.183 466 H ASP 67 H ASP 67 13.585 -10.953 -1.914 467 HA ASP 67 HA ASP 67 11.756 -12.436 -3.685 468 HB2 ASP 67 1HB ASP 67 14.218 -13.141 -3.521 469 HB3 ASP 67 2HB ASP 67 13.828 -13.695 -1.895 470 HA PRO 68 HA PRO 68 10.267 -13.733 -3.905 471 HB2 PRO 68 1HB PRO 68 7.595 -13.251 -3.876 472 HB3 PRO 68 2HB PRO 68 8.305 -14.763 -3.296 473 HG2 PRO 68 1HG PRO 68 7.386 -12.380 -1.734 474 HG3 PRO 68 2HG PRO 68 7.145 -14.103 -1.392 475 HD2 PRO 68 1HD PRO 68 9.045 -12.624 -0.153 476 HD3 PRO 68 2HD PRO 68 9.258 -14.351 -0.504 477 HA PRO 69 HA PRO 69 10.183 -9.756 -5.779 478 HB2 PRO 69 1HB PRO 69 8.835 -10.240 -8.086 479 HB3 PRO 69 2HB PRO 69 10.483 -10.811 -7.798 480 HG2 PRO 69 1HG PRO 69 7.895 -12.295 -7.556 481 HG3 PRO 69 2HG PRO 69 9.429 -12.831 -8.264 482 HD2 PRO 69 1HD PRO 69 8.642 -13.554 -5.776 483 HD3 PRO 69 2HD PRO 69 10.349 -13.327 -6.210 484 H ILE 70 H ILE 70 8.929 -8.453 -4.467 485 HA ILE 70 HA ILE 70 6.033 -8.555 -4.662 486 HB ILE 70 HB ILE 70 7.794 -6.687 -3.070 487 HG12 ILE 70 1HG1 ILE 70 6.142 -8.898 -1.903 488 HG13 ILE 70 2HG1 ILE 70 7.721 -9.267 -2.589 489 HG21 ILE 70 1HG2 ILE 70 5.805 -5.541 -3.212 490 HG22 ILE 70 2HG2 ILE 70 4.840 -7.013 -3.311 491 HG23 ILE 70 3HG2 ILE 70 5.535 -6.517 -1.768 492 HD11 ILE 70 1HD1 ILE 70 8.814 -8.353 -0.865 493 HD12 ILE 70 2HD1 ILE 70 7.689 -7.000 -0.734 494 HD13 ILE 70 3HD1 ILE 70 7.282 -8.560 -0.018 495 H ALA 71 H ALA 71 4.751 -6.690 -5.190 496 HA ALA 71 HA ALA 71 6.105 -4.843 -7.048 497 HB1 ALA 71 1HB ALA 71 4.113 -6.692 -7.647 498 HB2 ALA 71 2HB ALA 71 3.286 -5.135 -7.590 499 HB3 ALA 71 3HB ALA 71 4.668 -5.360 -8.662 500 H VAL 72 H VAL 72 6.176 -2.869 -6.209 501 HA VAL 72 HA VAL 72 4.277 -2.017 -4.202 502 HB VAL 72 HB VAL 72 6.574 -0.521 -5.475 503 HG11 VAL 72 1HG1 VAL 72 5.898 0.492 -2.919 504 HG12 VAL 72 2HG1 VAL 72 5.802 1.307 -4.481 505 HG13 VAL 72 3HG1 VAL 72 4.415 0.406 -3.868 506 HG21 VAL 72 1HG2 VAL 72 7.770 -1.970 -4.242 507 HG22 VAL 72 2HG2 VAL 72 7.267 -0.964 -2.884 508 HG23 VAL 72 3HG2 VAL 72 6.381 -2.441 -3.263 509 H ALA 73 H ALA 73 2.446 -0.980 -4.606 510 HA ALA 73 HA ALA 73 2.256 0.737 -6.976 511 HB1 ALA 73 1HB ALA 73 1.256 -1.671 -7.235 512 HB2 ALA 73 2HB ALA 73 -0.082 -0.988 -6.309 513 HB3 ALA 73 3HB ALA 73 0.385 -0.265 -7.849 514 H LYS 74 H LYS 74 0.976 2.530 -6.734 515 HA LYS 74 HA LYS 74 -0.011 3.022 -4.012 516 HB2 LYS 74 1HB LYS 74 0.165 5.389 -4.529 517 HB3 LYS 74 2HB LYS 74 1.689 4.586 -4.880 518 HG2 LYS 74 1HG LYS 74 1.132 4.556 -7.257 519 HG3 LYS 74 2HG LYS 74 -0.403 5.355 -6.907 520 HD2 LYS 74 1HD LYS 74 0.732 7.320 -6.125 521 HD3 LYS 74 2HD LYS 74 2.299 6.516 -6.235 522 HE2 LYS 74 1HE LYS 74 2.293 6.563 -8.566 523 HE3 LYS 74 2HE LYS 74 0.550 6.815 -8.650 524 HZ1 LYS 74 1HZ LYS 74 2.688 8.751 -8.178 525 HZ2 LYS 74 2HZ LYS 74 1.214 9.014 -7.393 526 HZ3 LYS 74 3HZ LYS 74 1.266 8.911 -9.081 527 H ILE 75 H ILE 75 -2.020 4.170 -3.731 528 HA ILE 75 HA ILE 75 -3.862 4.061 -6.008 529 HB ILE 75 HB ILE 75 -4.447 2.865 -3.297 530 HG12 ILE 75 1HG1 ILE 75 -4.649 1.389 -5.890 531 HG13 ILE 75 2HG1 ILE 75 -3.060 1.626 -5.171 532 HG21 ILE 75 1HG2 ILE 75 -6.636 2.284 -4.245 533 HG22 ILE 75 2HG2 ILE 75 -6.391 4.028 -4.172 534 HG23 ILE 75 3HG2 ILE 75 -6.230 3.179 -5.709 535 HD11 ILE 75 1HD1 ILE 75 -3.720 0.458 -3.191 536 HD12 ILE 75 2HD1 ILE 75 -5.388 0.353 -3.757 537 HD13 ILE 75 3HD1 ILE 75 -4.115 -0.533 -4.595 538 H ASP 76 H ASP 76 -5.189 5.769 -6.132 539 HA ASP 76 HA ASP 76 -4.907 7.884 -4.194 540 HB2 ASP 76 1HB ASP 76 -6.617 7.716 -6.685 541 HB3 ASP 76 2HB ASP 76 -6.350 9.170 -5.728 542 H ALA 77 H ALA 77 -5.860 7.047 -2.318 543 HA ALA 77 HA ALA 77 -8.231 5.772 -1.953 544 HB1 ALA 77 1HB ALA 77 -8.318 7.437 0.168 545 HB2 ALA 77 2HB ALA 77 -7.256 6.032 0.061 546 HB3 ALA 77 3HB ALA 77 -6.636 7.637 -0.326 547 H THR 78 H THR 78 -7.803 9.287 -2.264 548 HA THR 78 HA THR 78 -10.325 10.211 -1.828 549 HB THR 78 HB THR 78 -9.878 12.013 -3.453 550 HG1 THR 78 1HG THR 78 -8.828 10.772 -5.064 551 HG21 THR 78 1HG2 THR 78 -8.149 11.227 -1.271 552 HG22 THR 78 2HG2 THR 78 -8.734 12.830 -1.719 553 HG23 THR 78 3HG2 THR 78 -7.276 12.181 -2.469 554 H SER 79 H SER 79 -9.128 8.685 -4.788 555 HA SER 79 HA SER 79 -11.691 8.955 -6.106 556 HB2 SER 79 1HB SER 79 -9.552 9.109 -7.369 557 HB3 SER 79 2HB SER 79 -9.237 7.416 -6.990 558 HG SER 79 HG SER 79 -10.572 8.325 -9.028 559 H ALA 80 H ALA 80 -9.768 6.408 -4.603 560 HA ALA 80 HA ALA 80 -11.757 4.385 -5.202 561 HB1 ALA 80 1HB ALA 80 -9.477 3.920 -3.336 562 HB2 ALA 80 2HB ALA 80 -10.225 2.821 -4.495 563 HB3 ALA 80 3HB ALA 80 -9.164 4.111 -5.061 564 H SER 81 H SER 81 -13.608 4.793 -4.083 565 HA SER 81 HA SER 81 -13.601 5.610 -1.335 566 HB2 SER 81 1HB SER 81 -15.436 6.349 -2.681 567 HB3 SER 81 2HB SER 81 -15.801 4.704 -3.199 568 HG SER 81 HG SER 81 -16.272 4.266 -0.945 569 H MET 82 H MET 82 -14.790 2.659 -2.956 570 HA MET 82 HA MET 82 -15.360 1.157 -0.719 571 HB2 MET 82 1HB MET 82 -15.985 0.365 -2.895 572 HB3 MET 82 2HB MET 82 -14.305 0.283 -3.409 573 HG2 MET 82 1HG MET 82 -13.945 -1.470 -1.666 574 HG3 MET 82 2HG MET 82 -15.686 -1.464 -1.391 575 HE1 MET 82 1HE MET 82 -14.114 -1.387 -5.354 576 HE2 MET 82 2HE MET 82 -13.028 -1.442 -3.966 577 HE3 MET 82 3HE MET 82 -13.294 -2.892 -4.936 578 H LEU 83 H LEU 83 -12.325 0.954 -2.590 579 HA LEU 83 HA LEU 83 -10.920 -0.703 -0.892 580 HB2 LEU 83 1HB LEU 83 -9.876 1.585 -2.555 581 HB3 LEU 83 2HB LEU 83 -8.875 0.326 -1.835 582 HG LEU 83 HG LEU 83 -11.008 -0.147 -3.917 583 HD11 LEU 83 1HD1 LEU 83 -9.159 -0.494 -5.465 584 HD12 LEU 83 2HD1 LEU 83 -8.008 -0.053 -4.204 585 HD13 LEU 83 3HD1 LEU 83 -9.143 1.147 -4.819 586 HD21 LEU 83 1HD2 LEU 83 -9.814 -2.354 -4.095 587 HD22 LEU 83 2HD2 LEU 83 -10.731 -2.107 -2.609 588 HD23 LEU 83 3HD2 LEU 83 -8.975 -1.935 -2.601 589 H ALA 84 H ALA 84 -11.090 2.846 -0.824 590 HA ALA 84 HA ALA 84 -9.329 3.375 1.230 591 HB1 ALA 84 1HB ALA 84 -11.129 5.269 1.730 592 HB2 ALA 84 2HB ALA 84 -10.081 5.312 0.312 593 HB3 ALA 84 3HB ALA 84 -11.740 4.730 0.165 594 H SER 85 H SER 85 -12.817 2.703 1.519 595 HA SER 85 HA SER 85 -12.884 2.796 4.338 596 HB2 SER 85 1HB SER 85 -14.896 2.990 2.899 597 HB3 SER 85 2HB SER 85 -14.734 1.286 2.476 598 HG SER 85 HG SER 85 -14.700 1.224 5.023 599 H LYS 86 H LYS 86 -12.365 0.165 2.049 600 HA LYS 86 HA LYS 86 -12.573 -2.061 3.603 601 HB2 LYS 86 1HB LYS 86 -11.815 -1.799 1.138 602 HB3 LYS 86 2HB LYS 86 -10.190 -1.719 1.805 603 HG2 LYS 86 1HG LYS 86 -10.448 -3.913 2.789 604 HG3 LYS 86 2HG LYS 86 -12.119 -3.992 2.227 605 HD2 LYS 86 1HD LYS 86 -11.513 -4.354 0.051 606 HD3 LYS 86 2HD LYS 86 -9.989 -3.479 0.216 607 HE2 LYS 86 1HE LYS 86 -8.972 -5.304 1.351 608 HE3 LYS 86 2HE LYS 86 -10.516 -6.136 1.530 609 HZ1 LYS 86 1HZ LYS 86 -10.472 -6.007 -1.067 610 HZ2 LYS 86 2HZ LYS 86 -9.646 -7.235 -0.249 611 HZ3 LYS 86 3HZ LYS 86 -8.800 -5.892 -0.833 612 H PHE 87 H PHE 87 -9.575 -0.159 3.240 613 HA PHE 87 HA PHE 87 -8.510 -1.435 5.643 614 HB2 PHE 87 1HB PHE 87 -7.105 0.506 3.803 615 HB3 PHE 87 2HB PHE 87 -6.369 -0.564 4.993 616 HD1 PHE 87 2HD PHE 87 -8.335 -0.578 1.843 617 HD2 PHE 87 1HD PHE 87 -5.639 -2.681 4.379 618 HE1 PHE 87 2HE PHE 87 -8.058 -2.305 0.112 619 HE2 PHE 87 1HE PHE 87 -5.358 -4.410 2.652 620 HZ PHE 87 HZ PHE 87 -6.569 -4.224 0.516 621 H ASP 88 H ASP 88 -10.677 0.517 5.786 622 HA ASP 88 HA ASP 88 -11.215 2.567 6.719 623 HB2 ASP 88 1HB ASP 88 -9.315 1.735 8.892 624 HB3 ASP 88 2HB ASP 88 -10.901 2.489 9.036 625 H VAL 89 H VAL 89 -9.220 3.012 4.857 626 HA VAL 89 HA VAL 89 -6.940 4.335 5.835 627 HB VAL 89 HB VAL 89 -8.399 4.760 3.223 628 HG11 VAL 89 1HG1 VAL 89 -6.499 5.876 2.406 629 HG12 VAL 89 2HG1 VAL 89 -6.798 6.584 3.994 630 HG13 VAL 89 3HG1 VAL 89 -5.516 5.390 3.787 631 HG21 VAL 89 1HG2 VAL 89 -7.149 2.489 4.114 632 HG22 VAL 89 2HG2 VAL 89 -7.404 2.920 2.423 633 HG23 VAL 89 3HG2 VAL 89 -5.871 3.300 3.208 634 H SER 90 H SER 90 -7.376 5.806 7.435 635 HA SER 90 HA SER 90 -9.007 8.135 6.655 636 HB2 SER 90 1HB SER 90 -9.674 8.429 8.911 637 HB3 SER 90 2HB SER 90 -9.828 6.699 8.608 638 HG SER 90 HG SER 90 -7.928 8.081 10.142 639 H GLY 91 H GLY 91 -6.289 7.884 5.942 640 HA2 GLY 91 1HA GLY 91 -5.275 10.359 6.792 641 HA3 GLY 91 2HA GLY 91 -4.504 9.098 7.743 642 H TYR 92 H TYR 92 -2.872 10.593 6.271 643 HA TYR 92 HA TYR 92 -1.726 8.690 4.461 644 HB2 TYR 92 1HB TYR 92 -2.336 11.330 3.181 645 HB3 TYR 92 2HB TYR 92 -1.956 9.788 2.423 646 HD1 TYR 92 2HD TYR 92 -4.601 11.747 4.080 647 HD2 TYR 92 1HD TYR 92 -3.673 8.196 1.927 648 HE1 TYR 92 2HE TYR 92 -7.002 11.324 3.753 649 HE2 TYR 92 1HE TYR 92 -6.072 7.765 1.593 650 HH TYR 92 HH TYR 92 -8.145 8.405 2.094 651 HA PRO 93 HA PRO 93 -0.096 8.700 2.917 652 HB2 PRO 93 1HB PRO 93 2.296 7.513 3.406 653 HB3 PRO 93 2HB PRO 93 2.128 8.958 2.402 654 HG2 PRO 93 1HG PRO 93 2.954 8.731 5.270 655 HG3 PRO 93 2HG PRO 93 3.643 9.738 3.983 656 HD2 PRO 93 1HD PRO 93 1.940 10.719 5.846 657 HD3 PRO 93 2HD PRO 93 1.999 11.341 4.184 658 H THR 94 H THR 94 -0.245 6.381 3.017 659 HA THR 94 HA THR 94 -0.175 5.150 5.659 660 HB THR 94 HB THR 94 -2.683 5.233 3.972 661 HG1 THR 94 1HG THR 94 -2.536 7.052 5.258 662 HG21 THR 94 1HG2 THR 94 -2.460 3.885 6.640 663 HG22 THR 94 2HG2 THR 94 -2.033 3.019 5.164 664 HG23 THR 94 3HG2 THR 94 -3.663 3.657 5.372 665 H ILE 95 H ILE 95 1.037 3.405 5.352 666 HA ILE 95 HA ILE 95 0.917 1.994 2.789 667 HB ILE 95 HB ILE 95 2.871 1.691 5.073 668 HG12 ILE 95 1HG1 ILE 95 3.376 2.868 2.341 669 HG13 ILE 95 2HG1 ILE 95 2.905 3.854 3.721 670 HG21 ILE 95 1HG2 ILE 95 2.325 0.062 2.741 671 HG22 ILE 95 2HG2 ILE 95 3.991 0.639 2.768 672 HG23 ILE 95 3HG2 ILE 95 3.351 -0.272 4.136 673 HD11 ILE 95 1HD1 ILE 95 4.915 2.879 4.913 674 HD12 ILE 95 2HD1 ILE 95 5.420 2.271 3.336 675 HD13 ILE 95 3HD1 ILE 95 5.237 4.006 3.595 676 H LYS 96 H LYS 96 0.262 -0.091 2.583 677 HA LYS 96 HA LYS 96 -0.489 -1.561 5.010 678 HB2 LYS 96 1HB LYS 96 -2.236 -1.185 2.572 679 HB3 LYS 96 2HB LYS 96 -2.584 -2.292 3.893 680 HG2 LYS 96 1HG LYS 96 -2.120 0.562 4.561 681 HG3 LYS 96 2HG LYS 96 -3.639 0.125 3.775 682 HD2 LYS 96 1HD LYS 96 -4.168 -1.426 5.529 683 HD3 LYS 96 2HD LYS 96 -2.577 -1.209 6.263 684 HE2 LYS 96 1HE LYS 96 -4.397 1.135 5.883 685 HE3 LYS 96 2HE LYS 96 -4.633 0.042 7.246 686 HZ1 LYS 96 1HZ LYS 96 -2.141 0.442 7.650 687 HZ2 LYS 96 2HZ LYS 96 -3.235 1.652 8.096 688 HZ3 LYS 96 3HZ LYS 96 -2.343 1.804 6.667 689 H ILE 97 H ILE 97 -1.052 -3.897 4.442 690 HA ILE 97 HA ILE 97 0.557 -4.858 2.179 691 HB ILE 97 HB ILE 97 0.642 -6.049 4.953 692 HG12 ILE 97 1HG1 ILE 97 3.032 -4.890 3.591 693 HG13 ILE 97 2HG1 ILE 97 1.879 -3.784 4.329 694 HG21 ILE 97 1HG2 ILE 97 0.847 -7.651 3.057 695 HG22 ILE 97 2HG2 ILE 97 2.272 -6.761 2.522 696 HG23 ILE 97 3HG2 ILE 97 2.276 -7.572 4.088 697 HD11 ILE 97 1HD1 ILE 97 2.340 -5.763 6.240 698 HD12 ILE 97 2HD1 ILE 97 3.919 -5.377 5.555 699 HD13 ILE 97 3HD1 ILE 97 2.923 -4.099 6.249 700 H LEU 98 H LEU 98 -0.648 -6.087 0.907 701 HA LEU 98 HA LEU 98 -3.053 -7.351 1.986 702 HB2 LEU 98 1HB LEU 98 -3.050 -5.906 -0.100 703 HB3 LEU 98 2HB LEU 98 -2.200 -7.229 -0.895 704 HG LEU 98 HG LEU 98 -4.218 -8.667 -0.180 705 HD11 LEU 98 1HD1 LEU 98 -5.106 -6.871 1.340 706 HD12 LEU 98 2HD1 LEU 98 -6.273 -7.554 0.208 707 HD13 LEU 98 3HD1 LEU 98 -5.557 -5.974 -0.110 708 HD21 LEU 98 1HD2 LEU 98 -4.986 -8.459 -2.291 709 HD22 LEU 98 2HD2 LEU 98 -3.555 -7.446 -2.484 710 HD23 LEU 98 3HD2 LEU 98 -5.127 -6.704 -2.184 711 H LYS 99 H LYS 99 -2.777 -9.334 2.763 712 HA LYS 99 HA LYS 99 -0.907 -11.146 1.394 713 HB2 LYS 99 1HB LYS 99 -1.972 -11.132 4.218 714 HB3 LYS 99 2HB LYS 99 -1.079 -12.486 3.539 715 HG2 LYS 99 1HG LYS 99 0.032 -9.697 3.612 716 HG3 LYS 99 2HG LYS 99 0.235 -10.843 4.940 717 HD2 LYS 99 1HD LYS 99 0.999 -11.531 2.116 718 HD3 LYS 99 2HD LYS 99 2.110 -10.698 3.206 719 HE2 LYS 99 1HE LYS 99 2.709 -12.868 3.608 720 HE3 LYS 99 2HE LYS 99 1.455 -12.666 4.830 721 HZ1 LYS 99 1HZ LYS 99 0.178 -13.475 2.509 722 HZ2 LYS 99 2HZ LYS 99 0.410 -14.375 3.921 723 HZ3 LYS 99 3HZ LYS 99 1.536 -14.472 2.662 724 H LYS 100 H LYS 100 -1.939 -12.356 -0.059 725 HA LYS 100 HA LYS 100 -3.571 -13.589 -1.085 726 HB2 LYS 100 1HB LYS 100 -3.825 -14.724 1.706 727 HB3 LYS 100 2HB LYS 100 -4.329 -15.513 0.217 728 HG2 LYS 100 1HG LYS 100 -1.861 -15.276 -0.484 729 HG3 LYS 100 2HG LYS 100 -1.564 -14.998 1.233 730 HD2 LYS 100 1HD LYS 100 -1.302 -17.272 1.139 731 HD3 LYS 100 2HD LYS 100 -3.029 -17.174 1.493 732 HE2 LYS 100 1HE LYS 100 -2.978 -18.686 -0.252 733 HE3 LYS 100 2HE LYS 100 -3.291 -17.167 -1.091 734 HZ1 LYS 100 1HZ LYS 100 -1.540 -17.686 -2.335 735 HZ2 LYS 100 2HZ LYS 100 -1.044 -18.923 -1.294 736 HZ3 LYS 100 3HZ LYS 100 -0.572 -17.327 -0.994 737 H GLY 101 H GLY 101 -4.430 -11.044 0.229 738 HA2 GLY 101 1HA GLY 101 -6.603 -10.100 -0.149 739 HA3 GLY 101 2HA GLY 101 -7.308 -11.661 0.245 740 H GLN 102 H GLN 102 -4.772 -10.683 2.303 741 HA GLN 102 HA GLN 102 -6.740 -10.008 4.381 742 HB2 GLN 102 1HB GLN 102 -5.394 -12.000 4.850 743 HB3 GLN 102 2HB GLN 102 -3.919 -11.061 4.658 744 HG2 GLN 102 1HG GLN 102 -4.236 -9.912 6.643 745 HG3 GLN 102 2HG GLN 102 -5.961 -10.273 6.692 746 HE21 GLN 102 1HE2 GLN 102 -5.265 -10.820 8.946 747 HE22 GLN 102 2HE2 GLN 102 -4.766 -12.447 9.243 748 H ALA 103 H ALA 103 -6.756 -8.033 5.241 749 HA ALA 103 HA ALA 103 -4.822 -6.082 4.311 750 HB1 ALA 103 1HB ALA 103 -6.918 -5.152 4.229 751 HB2 ALA 103 2HB ALA 103 -7.452 -5.954 5.707 752 HB3 ALA 103 3HB ALA 103 -6.362 -4.571 5.799 753 H VAL 104 H VAL 104 -2.954 -5.900 5.359 754 HA VAL 104 HA VAL 104 -2.949 -6.191 8.291 755 HB VAL 104 HB VAL 104 -0.704 -6.624 6.318 756 HG11 VAL 104 1HG1 VAL 104 0.164 -7.558 8.747 757 HG12 VAL 104 2HG1 VAL 104 0.637 -6.028 8.007 758 HG13 VAL 104 3HG1 VAL 104 -0.678 -6.071 9.183 759 HG21 VAL 104 1HG2 VAL 104 -1.244 -8.813 8.089 760 HG22 VAL 104 2HG2 VAL 104 -2.723 -8.339 7.253 761 HG23 VAL 104 3HG2 VAL 104 -1.286 -8.769 6.326 762 H ASP 105 H ASP 105 -2.813 -4.331 9.342 763 HA ASP 105 HA ASP 105 -2.071 -1.887 8.092 764 HB2 ASP 105 1HB ASP 105 -2.187 -0.991 10.465 765 HB3 ASP 105 2HB ASP 105 -3.655 -1.752 9.858 766 H TYR 106 H TYR 106 -0.179 -0.807 8.064 767 HA TYR 106 HA TYR 106 2.197 -2.232 8.867 768 HB2 TYR 106 1HB TYR 106 2.226 -1.070 6.747 769 HB3 TYR 106 2HB TYR 106 1.805 0.451 7.527 770 HD1 TYR 106 2HD TYR 106 4.375 -2.166 8.259 771 HD2 TYR 106 1HD TYR 106 3.575 1.922 7.393 772 HE1 TYR 106 2HE TYR 106 6.765 -1.647 8.527 773 HE2 TYR 106 1HE TYR 106 5.962 2.452 7.658 774 HH TYR 106 HH TYR 106 8.044 0.846 9.188 775 H ASP 107 H ASP 107 1.062 1.098 9.473 776 HA ASP 107 HA ASP 107 1.550 2.557 11.166 777 HB2 ASP 107 1HB ASP 107 1.018 0.024 12.731 778 HB3 ASP 107 2HB ASP 107 1.080 1.636 13.437 779 H GLY 108 H GLY 108 3.875 1.718 9.995 780 HA2 GLY 108 1HA GLY 108 5.680 1.497 12.323 781 HA3 GLY 108 2HA GLY 108 5.985 0.616 10.833 782 H SER 109 H SER 109 8.010 2.084 11.609 783 HA SER 109 HA SER 109 8.013 4.803 10.895 784 HB2 SER 109 1HB SER 109 10.372 2.910 10.814 785 HB3 SER 109 2HB SER 109 10.426 4.664 10.986 786 HG SER 109 HG SER 109 9.308 2.825 12.838 787 H ARG 110 H ARG 110 7.913 5.754 8.978 788 HA ARG 110 HA ARG 110 7.794 4.270 6.563 789 HB2 ARG 110 1HB ARG 110 7.935 7.226 7.141 790 HB3 ARG 110 2HB ARG 110 7.829 6.586 5.507 791 HG2 ARG 110 1HG ARG 110 5.697 5.574 5.991 792 HG3 ARG 110 2HG ARG 110 5.815 6.066 7.682 793 HD2 ARG 110 1HD ARG 110 5.975 8.118 5.515 794 HD3 ARG 110 2HD ARG 110 4.406 7.479 6.004 795 HE ARG 110 HE ARG 110 5.982 9.364 7.419 796 HH11 ARG 110 2HH1 ARG 110 3.834 6.664 7.881 797 HH12 ARG 110 1HH1 ARG 110 3.303 7.186 9.445 798 HH21 ARG 110 2HH2 ARG 110 5.290 10.062 9.477 799 HH22 ARG 110 1HH2 ARG 110 4.131 9.120 10.352 800 H THR 111 H THR 111 9.858 3.151 6.706 801 HA THR 111 HA THR 111 11.996 4.734 5.470 802 HB THR 111 HB THR 111 13.660 3.370 6.836 803 HG1 THR 111 1HG THR 111 11.379 3.033 8.515 804 HG21 THR 111 1HG2 THR 111 12.096 5.138 8.663 805 HG22 THR 111 2HG2 THR 111 12.803 5.829 7.202 806 HG23 THR 111 3HG2 THR 111 13.837 5.050 8.400 807 H GLN 112 H GLN 112 13.248 3.641 3.985 808 HA GLN 112 HA GLN 112 12.138 1.564 2.551 809 HB2 GLN 112 1HB GLN 112 14.856 2.760 2.715 810 HB3 GLN 112 2HB GLN 112 14.702 1.216 1.887 811 HG2 GLN 112 1HG GLN 112 13.355 2.095 0.222 812 HG3 GLN 112 2HG GLN 112 12.892 3.490 1.195 813 HE21 GLN 112 1HE2 GLN 112 14.490 5.134 1.563 814 HE22 GLN 112 2HE2 GLN 112 15.740 5.395 0.399 815 H GLU 113 H GLU 113 14.302 1.435 5.306 816 HA GLU 113 HA GLU 113 14.916 -1.334 5.102 817 HB2 GLU 113 1HB GLU 113 15.148 0.708 7.292 818 HB3 GLU 113 2HB GLU 113 15.477 -0.989 7.612 819 HG2 GLU 113 1HG GLU 113 17.138 -0.918 5.734 820 HG3 GLU 113 2HG GLU 113 16.910 0.830 5.698 821 H GLU 114 H GLU 114 12.796 0.415 7.381 822 HA GLU 114 HA GLU 114 11.628 -1.887 8.489 823 HB2 GLU 114 1HB GLU 114 10.754 0.989 8.353 824 HB3 GLU 114 2HB GLU 114 9.763 -0.236 9.132 825 HG2 GLU 114 1HG GLU 114 12.628 0.214 9.892 826 HG3 GLU 114 2HG GLU 114 11.306 1.135 10.608 827 H ILE 115 H ILE 115 10.031 0.461 6.329 828 HA ILE 115 HA ILE 115 7.749 -0.806 5.707 829 HB ILE 115 HB ILE 115 9.559 0.545 3.703 830 HG12 ILE 115 1HG1 ILE 115 7.169 1.676 5.161 831 HG13 ILE 115 2HG1 ILE 115 8.818 1.849 5.751 832 HG21 ILE 115 1HG2 ILE 115 6.776 0.792 3.104 833 HG22 ILE 115 2HG2 ILE 115 8.069 0.106 2.120 834 HG23 ILE 115 3HG2 ILE 115 7.192 -0.914 3.260 835 HD11 ILE 115 1HD1 ILE 115 9.280 3.479 4.303 836 HD12 ILE 115 2HD1 ILE 115 8.471 2.655 2.969 837 HD13 ILE 115 3HD1 ILE 115 7.531 3.604 4.120 838 H VAL 116 H VAL 116 10.845 -1.454 4.069 839 HA VAL 116 HA VAL 116 9.797 -3.606 2.513 840 HB VAL 116 HB VAL 116 12.658 -2.859 3.135 841 HG11 VAL 116 1HG1 VAL 116 12.313 -4.316 0.691 842 HG12 VAL 116 2HG1 VAL 116 13.332 -4.695 2.081 843 HG13 VAL 116 3HG1 VAL 116 11.656 -5.244 2.038 844 HG21 VAL 116 1HG2 VAL 116 10.928 -2.305 0.725 845 HG22 VAL 116 2HG2 VAL 116 11.461 -1.124 1.921 846 HG23 VAL 116 3HG2 VAL 116 12.641 -1.908 0.870 847 H ALA 117 H ALA 117 11.511 -3.354 5.574 848 HA ALA 117 HA ALA 117 12.129 -6.075 5.917 849 HB1 ALA 117 1HB ALA 117 13.180 -4.373 7.269 850 HB2 ALA 117 2HB ALA 117 11.626 -3.939 7.984 851 HB3 ALA 117 3HB ALA 117 12.337 -5.519 8.312 852 H LYS 118 H LYS 118 9.190 -4.268 6.395 853 HA LYS 118 HA LYS 118 7.897 -6.357 7.915 854 HB2 LYS 118 1HB LYS 118 7.373 -3.949 8.252 855 HB3 LYS 118 2HB LYS 118 6.696 -3.898 6.629 856 HG2 LYS 118 1HG LYS 118 4.846 -4.131 8.021 857 HG3 LYS 118 2HG LYS 118 5.137 -5.763 7.415 858 HD2 LYS 118 1HD LYS 118 6.531 -5.057 9.915 859 HD3 LYS 118 2HD LYS 118 4.772 -5.163 10.023 860 HE2 LYS 118 1HE LYS 118 5.011 -7.409 8.833 861 HE3 LYS 118 2HE LYS 118 6.731 -7.288 9.199 862 HZ1 LYS 118 1HZ LYS 118 5.825 -8.505 10.951 863 HZ2 LYS 118 2HZ LYS 118 4.468 -7.505 11.088 864 HZ3 LYS 118 3HZ LYS 118 5.985 -6.945 11.586 865 H VAL 119 H VAL 119 7.389 -4.893 4.702 866 HA VAL 119 HA VAL 119 5.443 -6.694 3.816 867 HB VAL 119 HB VAL 119 7.482 -5.216 2.146 868 HG11 VAL 119 1HG1 VAL 119 4.848 -6.489 1.414 869 HG12 VAL 119 2HG1 VAL 119 5.774 -5.421 0.357 870 HG13 VAL 119 3HG1 VAL 119 6.452 -6.971 0.860 871 HG21 VAL 119 1HG2 VAL 119 5.904 -3.939 3.770 872 HG22 VAL 119 2HG2 VAL 119 6.070 -3.384 2.104 873 HG23 VAL 119 3HG2 VAL 119 4.660 -4.329 2.583 874 H ARG 120 H ARG 120 8.949 -6.886 3.792 875 HA ARG 120 HA ARG 120 9.095 -9.180 2.099 876 HB2 ARG 120 1HB ARG 120 11.402 -9.148 2.487 877 HB3 ARG 120 2HB ARG 120 10.937 -7.456 2.612 878 HG2 ARG 120 1HG ARG 120 11.003 -7.561 5.013 879 HG3 ARG 120 2HG ARG 120 11.306 -9.299 4.963 880 HD2 ARG 120 1HD ARG 120 13.155 -7.399 3.577 881 HD3 ARG 120 2HD ARG 120 13.289 -7.660 5.315 882 HE ARG 120 HE ARG 120 13.977 -9.521 3.213 883 HH11 ARG 120 2HH1 ARG 120 13.251 -9.086 6.590 884 HH12 ARG 120 1HH1 ARG 120 14.050 -10.542 7.084 885 HH21 ARG 120 2HH2 ARG 120 15.032 -11.440 3.850 886 HH22 ARG 120 1HH2 ARG 120 15.063 -11.880 5.524 887 H GLU 121 H GLU 121 9.229 -8.679 5.609 888 HA GLU 121 HA GLU 121 9.612 -11.419 6.250 889 HB2 GLU 121 1HB GLU 121 9.533 -10.768 8.459 890 HB3 GLU 121 2HB GLU 121 9.972 -9.252 7.685 891 HG2 GLU 121 1HG GLU 121 7.765 -8.415 7.865 892 HG3 GLU 121 2HG GLU 121 7.135 -9.993 8.335 893 H VAL 122 H VAL 122 6.789 -9.401 5.765 894 HA VAL 122 HA VAL 122 4.876 -11.184 6.854 895 HB VAL 122 HB VAL 122 4.501 -9.056 4.742 896 HG11 VAL 122 1HG1 VAL 122 2.259 -9.731 6.497 897 HG12 VAL 122 2HG1 VAL 122 2.295 -9.453 4.755 898 HG13 VAL 122 3HG1 VAL 122 2.737 -11.032 5.407 899 HG21 VAL 122 1HG2 VAL 122 5.269 -8.741 7.374 900 HG22 VAL 122 2HG2 VAL 122 4.523 -7.511 6.355 901 HG23 VAL 122 3HG2 VAL 122 3.524 -8.496 7.422 902 H SER 123 H SER 123 5.772 -10.498 3.471 903 HA SER 123 HA SER 123 4.182 -12.196 2.099 904 HB2 SER 123 1HB SER 123 5.843 -12.293 0.381 905 HB3 SER 123 2HB SER 123 6.022 -10.723 1.165 906 HG SER 123 HG SER 123 7.732 -11.676 2.409 907 H GLN 124 H GLN 124 7.014 -13.097 3.992 908 HA GLN 124 HA GLN 124 7.392 -15.709 3.238 909 HB2 GLN 124 1HB GLN 124 7.492 -14.662 6.072 910 HB3 GLN 124 2HB GLN 124 8.293 -16.108 5.471 911 HG2 GLN 124 1HG GLN 124 8.882 -13.262 4.692 912 HG3 GLN 124 2HG GLN 124 9.888 -14.326 5.674 913 HE21 GLN 124 1HE2 GLN 124 10.320 -12.918 3.071 914 HE22 GLN 124 2HE2 GLN 124 10.862 -14.152 1.990 915 HA PRO 125 HA PRO 125 3.686 -17.856 4.262 916 HB2 PRO 125 1HB PRO 125 4.690 -20.376 4.387 917 HB3 PRO 125 2HB PRO 125 4.444 -19.514 2.863 918 HG2 PRO 125 1HG PRO 125 6.958 -19.882 4.446 919 HG3 PRO 125 2HG PRO 125 6.713 -19.997 2.694 920 HD2 PRO 125 1HD PRO 125 7.766 -17.800 3.877 921 HD3 PRO 125 2HD PRO 125 6.771 -17.710 2.409 922 H ASP 126 H ASP 126 6.558 -18.093 6.235 923 HA ASP 126 HA ASP 126 5.290 -19.495 8.395 924 HB2 ASP 126 1HB ASP 126 7.838 -17.885 8.550 925 HB3 ASP 126 2HB ASP 126 7.349 -19.237 9.568 926 H TRP 127 H TRP 127 6.113 -16.132 7.688 927 HA TRP 127 HA TRP 127 5.562 -14.939 10.107 928 HB2 TRP 127 1HB TRP 127 6.457 -13.634 8.303 929 HB3 TRP 127 2HB TRP 127 5.039 -13.939 7.304 930 HD1 TRP 127 HD TRP 127 6.385 -11.578 9.895 931 HE1 TRP 127 1HE TRP 127 4.639 -9.755 10.396 932 HE3 TRP 127 3HE TRP 127 2.370 -13.610 7.468 933 HZ2 TRP 127 2HZ TRP 127 1.919 -9.246 9.837 934 HZ3 TRP 127 3HZ TRP 127 0.233 -12.392 7.500 935 HH2 TRP 127 HH TRP 127 0.014 -10.255 8.661 936 H THR 128 H THR 128 3.739 -14.099 11.105 937 HA THR 128 HA THR 128 1.133 -14.818 9.955 938 HB THR 128 HB THR 128 0.364 -15.474 12.259 939 HG1 THR 128 1HG THR 128 1.827 -14.873 13.709 940 HG21 THR 128 1HG2 THR 128 1.007 -17.101 10.451 941 HG22 THR 128 2HG2 THR 128 1.151 -17.723 12.095 942 HG23 THR 128 3HG2 THR 128 2.592 -17.217 11.214 943 HA PRO 129 HA PRO 129 -0.088 -10.765 11.135 944 HB2 PRO 129 1HB PRO 129 -2.754 -11.138 11.486 945 HB3 PRO 129 2HB PRO 129 -1.988 -11.119 9.893 946 HG2 PRO 129 1HG PRO 129 -2.808 -13.458 11.572 947 HG3 PRO 129 2HG PRO 129 -3.006 -13.209 9.828 948 HD2 PRO 129 1HD PRO 129 -1.032 -14.744 10.865 949 HD3 PRO 129 2HD PRO 129 -0.830 -13.813 9.367 950 HA PRO 130 HA PRO 130 -0.123 -10.586 15.545 951 HB2 PRO 130 1HB PRO 130 -0.978 -8.029 15.861 952 HB3 PRO 130 2HB PRO 130 0.653 -8.436 15.314 953 HG2 PRO 130 1HG PRO 130 -1.733 -7.609 13.706 954 HG3 PRO 130 2HG PRO 130 -0.044 -7.093 13.548 955 HD2 PRO 130 1HD PRO 130 -1.155 -8.957 11.929 956 HD3 PRO 130 2HD PRO 130 0.559 -8.992 12.389 957 HA PRO 131 HA PRO 131 -4.339 -11.625 16.522 958 HB2 PRO 131 1HB PRO 131 -3.940 -12.065 19.171 959 HB3 PRO 131 2HB PRO 131 -3.455 -13.218 17.922 960 HG2 PRO 131 1HG PRO 131 -1.796 -11.200 19.384 961 HG3 PRO 131 2HG PRO 131 -1.411 -12.883 18.980 962 HD2 PRO 131 1HD PRO 131 -0.461 -10.788 17.551 963 HD3 PRO 131 2HD PRO 131 -0.826 -12.361 16.813 964 H GLU 132 H GLU 132 -5.231 -9.535 16.148 965 HA GLU 132 HA GLU 132 -5.615 -7.989 18.620 966 HB2 GLU 132 1HB GLU 132 -4.016 -6.897 16.974 967 HB3 GLU 132 2HB GLU 132 -5.390 -6.724 15.891 968 HG2 GLU 132 1HG GLU 132 -6.469 -5.216 17.310 969 HG3 GLU 132 2HG GLU 132 -5.458 -5.651 18.687 970 H VAL 133 H VAL 133 -7.564 -9.320 18.736 971 HA VAL 133 HA VAL 133 -9.737 -9.901 18.166 972 HB VAL 133 HB VAL 133 -9.914 -6.885 18.179 973 HG11 VAL 133 1HG1 VAL 133 -11.880 -8.709 17.595 974 HG12 VAL 133 2HG1 VAL 133 -12.109 -8.428 19.322 975 HG13 VAL 133 3HG1 VAL 133 -12.142 -7.071 18.194 976 HG21 VAL 133 1HG2 VAL 133 -10.278 -8.724 20.531 977 HG22 VAL 133 2HG2 VAL 133 -8.729 -7.977 20.141 978 HG23 VAL 133 3HG2 VAL 133 -10.122 -6.967 20.528 979 H THR 134 H THR 134 -8.502 -10.300 15.877 980 HA THR 134 HA THR 134 -9.867 -8.727 13.811 981 HB THR 134 HB THR 134 -8.328 -9.948 12.230 982 HG1 THR 134 1HG THR 134 -7.821 -11.704 13.638 983 HG21 THR 134 1HG2 THR 134 -6.478 -8.519 12.645 984 HG22 THR 134 2HG2 THR 134 -6.835 -8.442 14.370 985 HG23 THR 134 3HG2 THR 134 -7.906 -7.654 13.212 986 H SER 135 H SER 135 -9.392 -12.047 14.930 987 HA SER 135 HA SER 135 -10.659 -13.501 12.998 988 HB2 SER 135 1HB SER 135 -10.902 -13.886 15.992 989 HB3 SER 135 2HB SER 135 -11.283 -15.105 14.775 990 HG SER 135 HG SER 135 -8.915 -14.405 14.135 991 H GLY 136 H GLY 136 -12.689 -13.794 12.270 992 HA2 GLY 136 1HA GLY 136 -15.101 -13.806 13.270 993 HA3 GLY 136 2HA GLY 136 -14.773 -12.088 13.435 994 HA PRO 137 HA PRO 137 -15.853 -13.509 8.914 995 HB2 PRO 137 1HB PRO 137 -18.487 -14.160 9.003 996 HB3 PRO 137 2HB PRO 137 -17.196 -15.354 9.182 997 HG2 PRO 137 1HG PRO 137 -18.842 -14.012 11.292 998 HG3 PRO 137 2HG PRO 137 -18.359 -15.713 11.164 999 HD2 PRO 137 1HD PRO 137 -17.095 -13.959 12.794 1000 HD3 PRO 137 2HD PRO 137 -16.252 -15.310 12.008 1001 H SER 138 H SER 138 -16.772 -11.370 11.246 1002 HA SER 138 HA SER 138 -18.877 -9.887 10.556 1003 HB2 SER 138 1HB SER 138 -17.013 -9.324 12.231 1004 HB3 SER 138 2HB SER 138 -16.214 -8.511 10.886 1005 HG SER 138 HG SER 138 -18.847 -7.833 11.127 1006 H SER 139 H SER 139 -15.716 -9.380 8.976 1007 HA SER 139 HA SER 139 -16.369 -7.557 7.077 1008 HB2 SER 139 1HB SER 139 -14.125 -8.768 7.490 1009 HB3 SER 139 2HB SER 139 -14.707 -9.952 6.321 1010 HG SER 139 HG SER 139 -13.411 -8.035 5.564 1011 H GLY 140 H GLY 140 -16.832 -11.073 6.792 1012 HA2 GLY 140 1HA GLY 140 -18.954 -11.815 5.793 1013 HA3 GLY 140 2HA GLY 140 -18.757 -10.524 4.617 Start of MODEL 19 1 H1 GLY 1 H GLY 1 4.907 -27.132 -17.795 2 HA2 GLY 1 1HA GLY 1 6.453 -24.849 -18.191 3 HA3 GLY 1 2HA GLY 1 4.955 -25.204 -19.039 4 H SER 2 H SER 2 6.192 -22.697 -17.844 5 HA SER 2 HA SER 2 4.212 -21.951 -15.847 6 HB2 SER 2 1HB SER 2 6.588 -21.273 -15.576 7 HB3 SER 2 2HB SER 2 6.452 -20.299 -17.040 8 HG SER 2 HG SER 2 4.573 -19.322 -15.814 9 H SER 3 H SER 3 5.203 -20.987 -19.112 10 HA SER 3 HA SER 3 3.447 -18.882 -19.516 11 HB2 SER 3 1HB SER 3 4.441 -20.926 -21.515 12 HB3 SER 3 2HB SER 3 3.654 -19.407 -21.942 13 HG SER 3 HG SER 3 5.621 -18.872 -20.240 14 H GLY 4 H GLY 4 1.541 -18.909 -21.051 15 HA2 GLY 4 1HA GLY 4 -0.330 -20.172 -21.941 16 HA3 GLY 4 2HA GLY 4 -0.133 -21.298 -20.606 17 H SER 5 H SER 5 -0.916 -17.903 -21.300 18 HA SER 5 HA SER 5 -3.145 -18.020 -19.471 19 HB2 SER 5 1HB SER 5 -0.682 -16.405 -18.864 20 HB3 SER 5 2HB SER 5 -2.265 -15.888 -18.286 21 HG SER 5 HG SER 5 -1.019 -18.386 -17.766 22 H SER 6 H SER 6 -4.756 -16.779 -20.197 23 HA SER 6 HA SER 6 -4.221 -15.023 -22.463 24 HB2 SER 6 1HB SER 6 -6.137 -16.840 -22.215 25 HB3 SER 6 2HB SER 6 -6.986 -15.504 -21.435 26 HG SER 6 HG SER 6 -5.793 -14.684 -23.713 27 H GLY 7 H GLY 7 -5.763 -13.028 -22.538 28 HA2 GLY 7 1HA GLY 7 -6.498 -11.750 -20.125 29 HA3 GLY 7 2HA GLY 7 -4.902 -11.199 -20.616 30 H ASP 8 H ASP 8 -8.087 -10.470 -20.762 31 HA ASP 8 HA ASP 8 -8.304 -9.544 -23.460 32 HB2 ASP 8 1HB ASP 8 -9.946 -8.975 -20.987 33 HB3 ASP 8 2HB ASP 8 -10.347 -8.361 -22.588 34 H ASP 9 H ASP 9 -8.446 -7.342 -24.145 35 HA ASP 9 HA ASP 9 -6.450 -5.675 -22.890 36 HB2 ASP 9 1HB ASP 9 -6.959 -6.032 -25.448 37 HB3 ASP 9 2HB ASP 9 -8.135 -4.748 -25.183 38 H ASP 10 H ASP 10 -8.092 -5.735 -20.950 39 HA ASP 10 HA ASP 10 -9.561 -3.194 -21.062 40 HB2 ASP 10 1HB ASP 10 -10.587 -5.875 -20.244 41 HB3 ASP 10 2HB ASP 10 -11.153 -4.461 -19.359 42 H LEU 11 H LEU 11 -8.284 -5.735 -18.927 43 HA LEU 11 HA LEU 11 -8.101 -3.932 -16.687 44 HB2 LEU 11 1HB LEU 11 -6.844 -6.653 -16.937 45 HB3 LEU 11 2HB LEU 11 -7.256 -5.783 -15.460 46 HG LEU 11 HG LEU 11 -9.225 -6.955 -17.424 47 HD11 LEU 11 1HD1 LEU 11 -9.591 -8.156 -14.983 48 HD12 LEU 11 2HD1 LEU 11 -7.836 -8.035 -15.104 49 HD13 LEU 11 3HD1 LEU 11 -8.752 -8.860 -16.366 50 HD21 LEU 11 1HD2 LEU 11 -10.939 -6.134 -16.138 51 HD22 LEU 11 2HD2 LEU 11 -9.774 -4.815 -16.015 52 HD23 LEU 11 3HD2 LEU 11 -9.932 -5.978 -14.698 53 H GLU 12 H GLU 12 -6.701 -2.287 -17.231 54 HA GLU 12 HA GLU 12 -3.902 -3.088 -17.691 55 HB2 GLU 12 1HB GLU 12 -3.577 -0.977 -18.881 56 HB3 GLU 12 2HB GLU 12 -4.844 -1.934 -19.635 57 HG2 GLU 12 1HG GLU 12 -6.514 -0.554 -18.392 58 HG3 GLU 12 2HG GLU 12 -5.182 0.479 -17.876 59 H VAL 13 H VAL 13 -2.268 -1.790 -16.703 60 HA VAL 13 HA VAL 13 -3.135 0.035 -14.591 61 HB VAL 13 HB VAL 13 -1.319 -2.320 -14.059 62 HG11 VAL 13 1HG1 VAL 13 -0.490 -0.728 -12.634 63 HG12 VAL 13 2HG1 VAL 13 -2.036 0.113 -12.498 64 HG13 VAL 13 3HG1 VAL 13 -1.779 -1.405 -11.638 65 HG21 VAL 13 1HG2 VAL 13 -3.688 -2.946 -14.248 66 HG22 VAL 13 2HG2 VAL 13 -3.085 -3.133 -12.602 67 HG23 VAL 13 3HG2 VAL 13 -4.093 -1.747 -13.020 68 H LYS 14 H LYS 14 -1.804 1.731 -14.345 69 HA LYS 14 HA LYS 14 0.549 1.872 -16.046 70 HB2 LYS 14 1HB LYS 14 -1.046 3.883 -14.488 71 HB3 LYS 14 2HB LYS 14 0.552 4.291 -15.099 72 HG2 LYS 14 1HG LYS 14 -0.180 3.814 -17.371 73 HG3 LYS 14 2HG LYS 14 -1.779 3.367 -16.769 74 HD2 LYS 14 1HD LYS 14 -0.667 6.051 -16.089 75 HD3 LYS 14 2HD LYS 14 -1.320 5.777 -17.706 76 HE2 LYS 14 1HE LYS 14 -3.390 4.866 -16.535 77 HE3 LYS 14 2HE LYS 14 -2.730 5.567 -15.059 78 HZ1 LYS 14 1HZ LYS 14 -3.675 7.461 -15.668 79 HZ2 LYS 14 2HZ LYS 14 -4.108 6.846 -17.183 80 HZ3 LYS 14 3HZ LYS 14 -2.588 7.556 -16.961 81 H GLU 15 H GLU 15 2.313 3.431 -14.883 82 HA GLU 15 HA GLU 15 2.841 2.701 -12.149 83 HB2 GLU 15 1HB GLU 15 4.773 1.389 -12.462 84 HB3 GLU 15 2HB GLU 15 3.583 0.717 -13.567 85 HG2 GLU 15 1HG GLU 15 4.620 1.715 -15.441 86 HG3 GLU 15 2HG GLU 15 5.646 2.723 -14.423 87 H GLU 16 H GLU 16 4.308 4.051 -11.173 88 HA GLU 16 HA GLU 16 5.532 6.105 -12.895 89 HB2 GLU 16 1HB GLU 16 4.173 6.398 -10.221 90 HB3 GLU 16 2HB GLU 16 5.258 7.624 -10.861 91 HG2 GLU 16 1HG GLU 16 3.704 7.485 -12.956 92 HG3 GLU 16 2HG GLU 16 2.555 6.807 -11.804 93 H ASN 17 H ASN 17 7.584 5.299 -12.977 94 HA ASN 17 HA ASN 17 9.721 4.898 -12.311 95 HB2 ASN 17 1HB ASN 17 8.654 6.559 -10.070 96 HB3 ASN 17 2HB ASN 17 10.211 5.764 -9.854 97 HD21 ASN 17 1HD2 ASN 17 9.757 8.560 -9.937 98 HD22 ASN 17 2HD2 ASN 17 10.612 9.188 -11.301 99 H GLY 18 H GLY 18 7.611 2.931 -11.854 100 HA2 GLY 18 1HA GLY 18 8.137 0.681 -11.149 101 HA3 GLY 18 2HA GLY 18 8.988 1.363 -9.771 102 H VAL 19 H VAL 19 6.703 3.318 -9.428 103 HA VAL 19 HA VAL 19 5.153 1.631 -7.665 104 HB VAL 19 HB VAL 19 4.917 4.593 -8.214 105 HG11 VAL 19 1HG1 VAL 19 3.307 2.741 -6.657 106 HG12 VAL 19 2HG1 VAL 19 3.925 4.083 -5.691 107 HG13 VAL 19 3HG1 VAL 19 2.970 4.403 -7.139 108 HG21 VAL 19 1HG2 VAL 19 7.071 3.572 -7.161 109 HG22 VAL 19 2HG2 VAL 19 6.331 4.998 -6.434 110 HG23 VAL 19 3HG2 VAL 19 6.063 3.407 -5.723 111 H TRP 20 H TRP 20 3.720 0.370 -8.725 112 HA TRP 20 HA TRP 20 2.302 1.123 -11.047 113 HB2 TRP 20 1HB TRP 20 1.619 -1.012 -9.013 114 HB3 TRP 20 2HB TRP 20 0.947 -0.886 -10.636 115 HD1 TRP 20 HD TRP 20 3.959 -2.155 -8.748 116 HE1 TRP 20 1HE TRP 20 5.544 -3.359 -10.379 117 HE3 TRP 20 3HE TRP 20 1.762 -0.803 -13.162 118 HZ2 TRP 20 2HZ TRP 20 5.826 -3.692 -13.168 119 HZ3 TRP 20 3HZ TRP 20 2.752 -1.606 -15.267 120 HH2 TRP 20 HH TRP 20 4.742 -3.020 -15.268 121 H VAL 21 H VAL 21 0.174 1.781 -11.342 122 HA VAL 21 HA VAL 21 -1.002 3.146 -9.029 123 HB VAL 21 HB VAL 21 -1.575 3.470 -11.978 124 HG11 VAL 21 1HG1 VAL 21 -3.311 3.984 -9.936 125 HG12 VAL 21 2HG1 VAL 21 -2.498 5.539 -10.125 126 HG13 VAL 21 3HG1 VAL 21 -3.316 4.797 -11.501 127 HG21 VAL 21 1HG2 VAL 21 0.017 5.027 -12.041 128 HG22 VAL 21 2HG2 VAL 21 -0.571 5.788 -10.563 129 HG23 VAL 21 3HG2 VAL 21 0.551 4.430 -10.470 130 H LEU 22 H LEU 22 -2.259 1.708 -7.964 131 HA LEU 22 HA LEU 22 -4.048 -0.043 -9.457 132 HB2 LEU 22 1HB LEU 22 -3.264 0.169 -6.569 133 HB3 LEU 22 2HB LEU 22 -4.633 -0.816 -7.081 134 HG LEU 22 HG LEU 22 -1.731 -1.202 -7.800 135 HD11 LEU 22 1HD1 LEU 22 -2.348 -1.992 -5.585 136 HD12 LEU 22 2HD1 LEU 22 -2.034 -3.349 -6.666 137 HD13 LEU 22 3HD1 LEU 22 -3.694 -2.904 -6.270 138 HD21 LEU 22 1HD2 LEU 22 -2.944 -1.714 -9.773 139 HD22 LEU 22 2HD2 LEU 22 -4.207 -2.544 -8.864 140 HD23 LEU 22 3HD2 LEU 22 -2.595 -3.250 -8.981 141 H ASN 23 H ASN 23 -6.325 -0.204 -8.841 142 HA ASN 23 HA ASN 23 -7.550 1.992 -7.445 143 HB2 ASN 23 1HB ASN 23 -9.001 2.374 -9.654 144 HB3 ASN 23 2HB ASN 23 -7.535 3.294 -9.327 145 HD21 ASN 23 1HD2 ASN 23 -9.062 0.992 -11.346 146 HD22 ASN 23 2HD2 ASN 23 -7.767 0.786 -12.471 147 H ASP 24 H ASP 24 -9.932 1.776 -7.381 148 HA ASP 24 HA ASP 24 -10.763 -0.736 -6.627 149 HB2 ASP 24 1HB ASP 24 -13.063 0.114 -6.790 150 HB3 ASP 24 2HB ASP 24 -11.991 1.307 -6.062 151 H GLY 25 H GLY 25 -10.291 0.449 -9.793 152 HA2 GLY 25 1HA GLY 25 -12.098 -1.446 -11.050 153 HA3 GLY 25 2HA GLY 25 -11.040 -0.308 -11.871 154 H ASN 26 H ASN 26 -8.615 -1.053 -10.594 155 HA ASN 26 HA ASN 26 -8.235 -3.732 -11.760 156 HB2 ASN 26 1HB ASN 26 -5.986 -3.095 -12.338 157 HB3 ASN 26 2HB ASN 26 -7.075 -1.844 -12.930 158 HD21 ASN 26 1HD2 ASN 26 -5.603 -0.209 -12.942 159 HD22 ASN 26 2HD2 ASN 26 -4.903 0.455 -11.509 160 H PHE 27 H PHE 27 -8.848 -2.684 -8.921 161 HA PHE 27 HA PHE 27 -6.597 -3.258 -7.310 162 HB2 PHE 27 1HB PHE 27 -8.690 -1.973 -6.640 163 HB3 PHE 27 2HB PHE 27 -9.476 -3.537 -6.452 164 HD1 PHE 27 1HD PHE 27 -6.858 -1.314 -5.155 165 HD2 PHE 27 2HD PHE 27 -8.996 -4.950 -4.590 166 HE1 PHE 27 1HE PHE 27 -5.967 -1.478 -2.867 167 HE2 PHE 27 2HE PHE 27 -8.110 -5.121 -2.301 168 HZ PHE 27 HZ PHE 27 -6.594 -3.383 -1.437 169 H ASP 28 H ASP 28 -9.599 -5.164 -7.575 170 HA ASP 28 HA ASP 28 -8.432 -7.507 -6.498 171 HB2 ASP 28 1HB ASP 28 -10.852 -7.062 -6.414 172 HB3 ASP 28 2HB ASP 28 -10.940 -7.217 -8.166 173 H ASN 29 H ASN 29 -8.999 -6.391 -9.795 174 HA ASN 29 HA ASN 29 -8.390 -8.745 -11.164 175 HB2 ASN 29 1HB ASN 29 -7.984 -5.858 -11.967 176 HB3 ASN 29 2HB ASN 29 -7.796 -7.218 -13.070 177 HD21 ASN 29 1HD2 ASN 29 -9.779 -8.793 -12.851 178 HD22 ASN 29 2HD2 ASN 29 -11.314 -8.013 -12.990 179 H PHE 30 H PHE 30 -6.299 -6.252 -9.831 180 HA PHE 30 HA PHE 30 -3.906 -7.307 -11.011 181 HB2 PHE 30 1HB PHE 30 -4.190 -4.907 -10.385 182 HB3 PHE 30 2HB PHE 30 -4.176 -5.386 -8.691 183 HD1 PHE 30 2HD PHE 30 -2.113 -6.427 -7.736 184 HD2 PHE 30 1HD PHE 30 -2.194 -4.633 -11.594 185 HE1 PHE 30 2HE PHE 30 0.342 -6.274 -7.712 186 HE2 PHE 30 1HE PHE 30 0.261 -4.478 -11.578 187 HZ PHE 30 HZ PHE 30 1.533 -5.298 -9.634 188 H VAL 31 H VAL 31 -4.965 -7.046 -7.612 189 HA VAL 31 HA VAL 31 -3.013 -8.833 -6.624 190 HB VAL 31 HB VAL 31 -4.161 -8.761 -4.538 191 HG11 VAL 31 1HG1 VAL 31 -3.114 -6.720 -4.775 192 HG12 VAL 31 2HG1 VAL 31 -4.161 -6.217 -6.104 193 HG13 VAL 31 3HG1 VAL 31 -4.776 -6.229 -4.450 194 HG21 VAL 31 1HG2 VAL 31 -6.532 -8.059 -6.214 195 HG22 VAL 31 2HG2 VAL 31 -6.380 -9.262 -4.933 196 HG23 VAL 31 3HG2 VAL 31 -6.468 -7.548 -4.527 197 H ALA 32 H ALA 32 -5.640 -9.451 -8.543 198 HA ALA 32 HA ALA 32 -6.868 -11.704 -7.518 199 HB1 ALA 32 1HB ALA 32 -6.342 -10.716 -10.275 200 HB2 ALA 32 2HB ALA 32 -6.968 -12.352 -10.068 201 HB3 ALA 32 3HB ALA 32 -7.873 -10.975 -9.439 202 H ASP 33 H ASP 33 -3.952 -11.563 -9.557 203 HA ASP 33 HA ASP 33 -3.353 -14.330 -8.742 204 HB2 ASP 33 1HB ASP 33 -2.026 -14.528 -10.782 205 HB3 ASP 33 2HB ASP 33 -3.673 -14.037 -11.170 206 H LYS 34 H LYS 34 -2.727 -12.448 -6.910 207 HA LYS 34 HA LYS 34 0.206 -12.389 -7.056 208 HB2 LYS 34 1HB LYS 34 -1.563 -10.121 -6.125 209 HB3 LYS 34 2HB LYS 34 0.185 -10.167 -5.942 210 HG2 LYS 34 1HG LYS 34 -0.946 -10.521 -8.664 211 HG3 LYS 34 2HG LYS 34 -0.967 -8.908 -7.947 212 HD2 LYS 34 1HD LYS 34 1.361 -8.812 -7.807 213 HD3 LYS 34 2HD LYS 34 1.536 -10.561 -7.962 214 HE2 LYS 34 1HE LYS 34 0.449 -8.828 -10.168 215 HE3 LYS 34 2HE LYS 34 2.168 -9.176 -9.989 216 HZ1 LYS 34 1HZ LYS 34 1.891 -11.335 -10.592 217 HZ2 LYS 34 2HZ LYS 34 0.616 -10.661 -11.475 218 HZ3 LYS 34 3HZ LYS 34 0.308 -11.434 -10.002 219 H ASP 35 H ASP 35 1.164 -13.208 -5.307 220 HA ASP 35 HA ASP 35 -0.400 -14.259 -3.164 221 HB2 ASP 35 1HB ASP 35 1.629 -15.390 -3.980 222 HB3 ASP 35 2HB ASP 35 2.606 -14.030 -3.433 223 H THR 36 H THR 36 1.768 -11.504 -3.538 224 HA THR 36 HA THR 36 0.621 -10.309 -1.142 225 HB THR 36 HB THR 36 3.605 -10.676 -1.467 226 HG1 THR 36 1HG THR 36 3.060 -11.659 0.762 227 HG21 THR 36 1HG2 THR 36 1.977 -9.132 0.547 228 HG22 THR 36 2HG2 THR 36 3.236 -8.519 -0.524 229 HG23 THR 36 3HG2 THR 36 3.658 -9.593 0.809 230 H VAL 37 H VAL 37 0.100 -8.278 -1.587 231 HA VAL 37 HA VAL 37 1.744 -6.786 -3.524 232 HB VAL 37 HB VAL 37 -1.269 -6.682 -3.307 233 HG11 VAL 37 1HG1 VAL 37 -0.980 -5.284 -5.420 234 HG12 VAL 37 2HG1 VAL 37 -0.565 -4.517 -3.886 235 HG13 VAL 37 3HG1 VAL 37 0.710 -5.123 -4.944 236 HG21 VAL 37 1HG2 VAL 37 -1.412 -7.887 -5.280 237 HG22 VAL 37 2HG2 VAL 37 0.258 -7.544 -5.733 238 HG23 VAL 37 3HG2 VAL 37 -0.087 -8.695 -4.442 239 H LEU 38 H LEU 38 2.520 -4.945 -2.741 240 HA LEU 38 HA LEU 38 1.611 -3.976 -0.169 241 HB2 LEU 38 1HB LEU 38 3.947 -3.998 -0.419 242 HB3 LEU 38 2HB LEU 38 3.865 -3.244 -2.010 243 HG LEU 38 HG LEU 38 2.983 -1.177 -0.771 244 HD11 LEU 38 1HD1 LEU 38 2.657 -1.365 1.413 245 HD12 LEU 38 2HD1 LEU 38 4.396 -1.575 1.617 246 HD13 LEU 38 3HD1 LEU 38 3.354 -2.985 1.424 247 HD21 LEU 38 1HD2 LEU 38 5.809 -1.832 -0.047 248 HD22 LEU 38 2HD2 LEU 38 5.126 -0.317 -0.637 249 HD23 LEU 38 3HD2 LEU 38 5.336 -1.678 -1.739 250 H LEU 39 H LEU 39 -0.015 -2.595 -0.002 251 HA LEU 39 HA LEU 39 -0.537 -0.741 -2.225 252 HB2 LEU 39 1HB LEU 39 -2.418 -1.525 -0.009 253 HB3 LEU 39 2HB LEU 39 -2.807 -0.621 -1.471 254 HG LEU 39 HG LEU 39 -1.850 -3.471 -1.555 255 HD11 LEU 39 1HD1 LEU 39 -4.203 -2.661 -0.345 256 HD12 LEU 39 2HD1 LEU 39 -3.840 -4.270 -0.968 257 HD13 LEU 39 3HD1 LEU 39 -4.690 -3.104 -1.981 258 HD21 LEU 39 1HD2 LEU 39 -3.237 -1.624 -3.482 259 HD22 LEU 39 2HD2 LEU 39 -3.150 -3.369 -3.720 260 HD23 LEU 39 3HD2 LEU 39 -1.669 -2.412 -3.661 261 H GLU 40 H GLU 40 -0.382 1.398 -1.924 262 HA GLU 40 HA GLU 40 -0.144 2.401 0.833 263 HB2 GLU 40 1HB GLU 40 2.073 2.263 -0.304 264 HB3 GLU 40 2HB GLU 40 1.473 3.371 -1.529 265 HG2 GLU 40 1HG GLU 40 1.104 5.061 0.233 266 HG3 GLU 40 2HG GLU 40 1.819 3.953 1.403 267 H PHE 41 H PHE 41 -1.744 3.757 1.252 268 HA PHE 41 HA PHE 41 -3.165 5.074 -0.907 269 HB2 PHE 41 1HB PHE 41 -3.657 5.091 2.079 270 HB3 PHE 41 2HB PHE 41 -4.724 5.796 0.869 271 HD1 PHE 41 2HD PHE 41 -3.293 2.618 2.095 272 HD2 PHE 41 1HD PHE 41 -6.283 4.478 -0.297 273 HE1 PHE 41 2HE PHE 41 -4.444 0.456 1.858 274 HE2 PHE 41 1HE PHE 41 -7.439 2.319 -0.537 275 HZ PHE 41 HZ PHE 41 -6.519 0.304 0.540 276 H TYR 42 H TYR 42 -3.392 7.297 -1.155 277 HA TYR 42 HA TYR 42 -1.772 9.046 0.533 278 HB2 TYR 42 1HB TYR 42 -0.564 10.016 -1.276 279 HB3 TYR 42 2HB TYR 42 -0.385 8.272 -1.436 280 HD1 TYR 42 2HD TYR 42 -2.343 11.163 -2.717 281 HD2 TYR 42 1HD TYR 42 -0.966 7.202 -3.433 282 HE1 TYR 42 2HE TYR 42 -3.181 11.295 -5.026 283 HE2 TYR 42 1HE TYR 42 -1.799 7.323 -5.744 284 HH TYR 42 HH TYR 42 -2.439 8.870 -7.391 285 H ALA 43 H ALA 43 -2.062 11.413 -0.343 286 HA ALA 43 HA ALA 43 -4.815 11.809 -1.282 287 HB1 ALA 43 1HB ALA 43 -3.614 13.156 1.134 288 HB2 ALA 43 2HB ALA 43 -5.180 13.540 0.419 289 HB3 ALA 43 3HB ALA 43 -4.905 11.954 1.140 290 HA PRO 44 HA PRO 44 -2.857 14.745 -3.934 291 HB2 PRO 44 1HB PRO 44 -5.085 16.069 -4.744 292 HB3 PRO 44 2HB PRO 44 -4.664 14.453 -5.324 293 HG2 PRO 44 1HG PRO 44 -6.602 15.254 -3.188 294 HG3 PRO 44 2HG PRO 44 -6.784 14.036 -4.463 295 HD2 PRO 44 1HD PRO 44 -6.154 13.389 -1.911 296 HD3 PRO 44 2HD PRO 44 -5.568 12.458 -3.304 297 H TRP 45 H TRP 45 -5.038 15.731 -1.364 298 HA TRP 45 HA TRP 45 -4.110 18.488 -1.483 299 HB2 TRP 45 1HB TRP 45 -5.669 18.510 0.678 300 HB3 TRP 45 2HB TRP 45 -6.335 18.577 -0.952 301 HD1 TRP 45 HD TRP 45 -7.920 16.647 -1.674 302 HE1 TRP 45 1HE TRP 45 -8.803 14.520 -0.526 303 HE3 TRP 45 3HE TRP 45 -4.882 16.622 2.438 304 HZ2 TRP 45 2HZ TRP 45 -8.282 13.028 1.813 305 HZ3 TRP 45 3HZ TRP 45 -5.139 14.810 4.083 306 HH2 TRP 45 HH TRP 45 -6.805 13.052 3.775 307 H CYS 46 H CYS 46 -2.581 15.933 -0.540 308 HA CYS 46 HA CYS 46 -1.656 17.050 2.024 309 HB2 CYS 46 1HB CYS 46 -2.639 14.709 2.022 310 HB3 CYS 46 2HB CYS 46 -1.244 14.216 1.070 311 HG CYS 46 HG CYS 46 0.039 15.768 3.562 312 H GLY 47 H GLY 47 0.460 17.561 2.289 313 HA2 GLY 47 1HA GLY 47 2.081 17.691 -0.110 314 HA3 GLY 47 2HA GLY 47 2.471 18.390 1.455 315 H HIS 48 H HIS 48 1.974 15.813 2.830 316 HA HIS 48 HA HIS 48 4.549 14.848 3.001 317 HB2 HIS 48 1HB HIS 48 1.928 13.443 3.534 318 HB3 HIS 48 2HB HIS 48 3.496 12.765 3.964 319 HD1 HIS 48 1HD HIS 48 4.934 14.311 5.684 320 HD2 HIS 48 2HD HIS 48 0.858 15.071 5.426 321 HE1 HIS 48 1HE HIS 48 4.362 15.619 7.754 322 HE2 HIS 48 2HE HIS 48 1.875 15.994 7.618 323 H CYS 49 H CYS 49 2.015 13.965 0.751 324 HA CYS 49 HA CYS 49 3.138 11.600 -0.258 325 HB2 CYS 49 1HB CYS 49 0.834 12.218 -0.733 326 HB3 CYS 49 2HB CYS 49 1.369 13.641 -1.619 327 HG CYS 49 HG CYS 49 1.866 10.390 -2.567 328 H LYS 50 H LYS 50 3.722 14.976 -1.010 329 HA LYS 50 HA LYS 50 5.251 14.534 -3.361 330 HB2 LYS 50 1HB LYS 50 5.455 16.895 -1.490 331 HB3 LYS 50 2HB LYS 50 5.874 16.849 -3.197 332 HG2 LYS 50 1HG LYS 50 3.557 16.593 -3.806 333 HG3 LYS 50 2HG LYS 50 3.091 16.484 -2.107 334 HD2 LYS 50 1HD LYS 50 4.187 18.868 -3.584 335 HD3 LYS 50 2HD LYS 50 2.614 18.702 -2.800 336 HE2 LYS 50 1HE LYS 50 3.878 18.415 -0.627 337 HE3 LYS 50 2HE LYS 50 5.323 18.915 -1.504 338 HZ1 LYS 50 1HZ LYS 50 3.054 20.666 -1.843 339 HZ2 LYS 50 2HZ LYS 50 4.671 21.040 -1.517 340 HZ3 LYS 50 3HZ LYS 50 3.636 20.592 -0.257 341 H GLN 51 H GLN 51 6.366 15.655 -0.160 342 HA GLN 51 HA GLN 51 9.076 15.276 -0.587 343 HB2 GLN 51 1HB GLN 51 7.376 15.313 1.880 344 HB3 GLN 51 2HB GLN 51 9.089 14.933 2.004 345 HG2 GLN 51 1HG GLN 51 9.590 17.080 0.866 346 HG3 GLN 51 2HG GLN 51 7.870 17.462 0.924 347 HE21 GLN 51 1HE2 GLN 51 6.980 16.978 3.275 348 HE22 GLN 51 2HE2 GLN 51 7.880 17.752 4.530 349 H PHE 52 H PHE 52 6.603 12.950 0.055 350 HA PHE 52 HA PHE 52 8.541 10.858 0.677 351 HB2 PHE 52 1HB PHE 52 6.301 11.140 1.890 352 HB3 PHE 52 2HB PHE 52 5.559 10.503 0.426 353 HD1 PHE 52 1HD PHE 52 8.211 9.693 2.911 354 HD2 PHE 52 2HD PHE 52 5.267 8.228 0.210 355 HE1 PHE 52 1HE PHE 52 8.628 7.402 3.705 356 HE2 PHE 52 2HE PHE 52 5.678 5.934 0.999 357 HZ PHE 52 HZ PHE 52 7.361 5.519 2.750 358 H ALA 53 H ALA 53 6.490 11.967 -1.905 359 HA ALA 53 HA ALA 53 6.036 9.941 -3.569 360 HB1 ALA 53 1HB ALA 53 5.726 11.539 -5.083 361 HB2 ALA 53 2HB ALA 53 6.364 12.681 -3.899 362 HB3 ALA 53 3HB ALA 53 7.440 11.955 -5.092 363 HA PRO 54 HA PRO 54 10.596 9.665 -5.156 364 HB2 PRO 54 1HB PRO 54 12.485 11.005 -3.741 365 HB3 PRO 54 2HB PRO 54 11.607 11.727 -5.094 366 HG2 PRO 54 1HG PRO 54 11.128 12.019 -2.154 367 HG3 PRO 54 2HG PRO 54 11.103 13.260 -3.420 368 HD2 PRO 54 1HD PRO 54 8.843 12.158 -2.416 369 HD3 PRO 54 2HD PRO 54 8.973 12.702 -4.101 370 H GLU 55 H GLU 55 10.097 9.948 -1.677 371 HA GLU 55 HA GLU 55 12.110 8.151 -0.863 372 HB2 GLU 55 1HB GLU 55 10.952 9.740 0.651 373 HB3 GLU 55 2HB GLU 55 9.493 8.768 0.518 374 HG2 GLU 55 1HG GLU 55 10.404 8.060 2.514 375 HG3 GLU 55 2HG GLU 55 10.966 6.837 1.376 376 H TYR 56 H TYR 56 8.645 7.668 -1.486 377 HA TYR 56 HA TYR 56 8.548 4.942 -0.854 378 HB2 TYR 56 1HB TYR 56 6.606 6.559 -1.277 379 HB3 TYR 56 2HB TYR 56 6.853 6.230 -2.988 380 HD1 TYR 56 1HD TYR 56 6.940 3.978 -0.010 381 HD2 TYR 56 2HD TYR 56 5.077 4.933 -3.714 382 HE1 TYR 56 1HE TYR 56 5.540 1.965 0.182 383 HE2 TYR 56 2HE TYR 56 3.672 2.923 -3.532 384 HH TYR 56 HH TYR 56 2.948 1.306 -2.096 385 H GLU 57 H GLU 57 8.804 6.481 -4.063 386 HA GLU 57 HA GLU 57 8.984 4.344 -5.706 387 HB2 GLU 57 1HB GLU 57 10.824 6.741 -5.830 388 HB3 GLU 57 2HB GLU 57 10.443 5.661 -7.164 389 HG2 GLU 57 1HG GLU 57 8.214 7.051 -5.771 390 HG3 GLU 57 2HG GLU 57 9.228 7.967 -6.884 391 H LYS 58 H LYS 58 11.713 5.694 -3.864 392 HA LYS 58 HA LYS 58 13.761 4.086 -4.677 393 HB2 LYS 58 1HB LYS 58 13.113 5.123 -1.921 394 HB3 LYS 58 2HB LYS 58 14.614 4.281 -2.282 395 HG2 LYS 58 1HG LYS 58 14.985 6.022 -4.089 396 HG3 LYS 58 2HG LYS 58 13.658 6.919 -3.348 397 HD2 LYS 58 1HD LYS 58 14.844 7.118 -1.288 398 HD3 LYS 58 2HD LYS 58 16.090 5.991 -1.829 399 HE2 LYS 58 1HE LYS 58 16.983 7.539 -3.349 400 HE3 LYS 58 2HE LYS 58 15.548 8.561 -3.283 401 HZ1 LYS 58 1HZ LYS 58 16.176 8.872 -0.842 402 HZ2 LYS 58 2HZ LYS 58 17.103 9.683 -2.000 403 HZ3 LYS 58 3HZ LYS 58 17.696 8.272 -1.279 404 H ILE 59 H ILE 59 11.315 3.304 -2.228 405 HA ILE 59 HA ILE 59 12.352 0.775 -1.535 406 HB ILE 59 HB ILE 59 9.522 1.814 -1.363 407 HG12 ILE 59 1HG1 ILE 59 11.390 1.432 0.949 408 HG13 ILE 59 2HG1 ILE 59 11.536 2.871 -0.055 409 HG21 ILE 59 1HG2 ILE 59 8.930 -0.281 -0.908 410 HG22 ILE 59 2HG2 ILE 59 10.608 -0.822 -0.889 411 HG23 ILE 59 3HG2 ILE 59 9.883 -0.146 0.570 412 HD11 ILE 59 1HD1 ILE 59 9.124 3.325 0.399 413 HD12 ILE 59 2HD1 ILE 59 9.160 1.999 1.562 414 HD13 ILE 59 3HD1 ILE 59 10.178 3.418 1.809 415 H ALA 60 H ALA 60 10.027 1.802 -3.985 416 HA ALA 60 HA ALA 60 8.921 -0.532 -4.829 417 HB1 ALA 60 1HB ALA 60 9.914 1.116 -7.048 418 HB2 ALA 60 2HB ALA 60 8.271 0.613 -6.650 419 HB3 ALA 60 3HB ALA 60 8.997 1.988 -5.819 420 H SER 61 H SER 61 11.924 0.774 -6.257 421 HA SER 61 HA SER 61 12.610 -1.445 -7.759 422 HB2 SER 61 1HB SER 61 14.814 0.080 -6.450 423 HB3 SER 61 2HB SER 61 14.624 -0.399 -8.137 424 HG SER 61 HG SER 61 13.654 1.839 -6.796 425 H THR 62 H THR 62 13.750 -0.629 -4.483 426 HA THR 62 HA THR 62 15.388 -2.714 -3.921 427 HB THR 62 HB THR 62 13.294 -1.628 -2.027 428 HG1 THR 62 1HG THR 62 14.620 0.026 -2.826 429 HG21 THR 62 1HG2 THR 62 14.484 -2.543 -0.263 430 HG22 THR 62 2HG2 THR 62 15.965 -2.698 -1.207 431 HG23 THR 62 3HG2 THR 62 14.623 -3.808 -1.484 432 H LEU 63 H LEU 63 11.943 -2.818 -2.994 433 HA LEU 63 HA LEU 63 11.890 -5.576 -2.505 434 HB2 LEU 63 1HB LEU 63 9.680 -3.662 -3.228 435 HB3 LEU 63 2HB LEU 63 9.408 -5.327 -2.719 436 HG LEU 63 HG LEU 63 10.887 -3.388 -0.970 437 HD11 LEU 63 1HD1 LEU 63 8.999 -2.438 -0.154 438 HD12 LEU 63 2HD1 LEU 63 8.002 -3.851 -0.501 439 HD13 LEU 63 3HD1 LEU 63 8.437 -2.739 -1.799 440 HD21 LEU 63 1HD2 LEU 63 10.615 -4.935 0.678 441 HD22 LEU 63 2HD2 LEU 63 10.649 -6.016 -0.715 442 HD23 LEU 63 3HD2 LEU 63 9.106 -5.554 0.006 443 H LYS 64 H LYS 64 11.424 -3.727 -5.438 444 HA LYS 64 HA LYS 64 10.131 -5.422 -7.120 445 HB2 LYS 64 1HB LYS 64 11.287 -3.135 -7.572 446 HB3 LYS 64 2HB LYS 64 12.669 -4.114 -8.048 447 HG2 LYS 64 1HG LYS 64 11.627 -4.929 -9.915 448 HG3 LYS 64 2HG LYS 64 10.011 -4.723 -9.238 449 HD2 LYS 64 1HD LYS 64 10.062 -3.024 -10.789 450 HD3 LYS 64 2HD LYS 64 10.619 -2.178 -9.344 451 HE2 LYS 64 1HE LYS 64 12.088 -1.539 -11.078 452 HE3 LYS 64 2HE LYS 64 12.973 -2.709 -10.100 453 HZ1 LYS 64 1HZ LYS 64 11.800 -4.282 -11.932 454 HZ2 LYS 64 2HZ LYS 64 13.374 -3.677 -12.060 455 HZ3 LYS 64 3HZ LYS 64 12.099 -2.890 -12.845 456 H ASP 65 H ASP 65 13.643 -5.495 -6.512 457 HA ASP 65 HA ASP 65 13.922 -8.006 -7.907 458 HB2 ASP 65 1HB ASP 65 15.750 -6.469 -8.097 459 HB3 ASP 65 2HB ASP 65 15.865 -6.299 -6.347 460 H ASN 66 H ASN 66 13.630 -6.906 -4.608 461 HA ASN 66 HA ASN 66 14.631 -8.856 -3.054 462 HB2 ASN 66 1HB ASN 66 13.304 -6.964 -2.195 463 HB3 ASN 66 2HB ASN 66 11.832 -7.737 -2.775 464 HD21 ASN 66 1HD2 ASN 66 11.296 -9.835 -1.859 465 HD22 ASN 66 2HD2 ASN 66 11.728 -10.166 -0.218 466 H ASP 67 H ASP 67 13.963 -10.876 -2.238 467 HA ASP 67 HA ASP 67 12.084 -12.323 -3.989 468 HB2 ASP 67 1HB ASP 67 14.237 -13.215 -4.424 469 HB3 ASP 67 2HB ASP 67 14.662 -13.227 -2.714 470 HA PRO 68 HA PRO 68 10.648 -13.699 -4.164 471 HB2 PRO 68 1HB PRO 68 7.971 -13.365 -3.866 472 HB3 PRO 68 2HB PRO 68 8.803 -14.868 -3.452 473 HG2 PRO 68 1HG PRO 68 7.918 -12.637 -1.662 474 HG3 PRO 68 2HG PRO 68 7.793 -14.389 -1.413 475 HD2 PRO 68 1HD PRO 68 9.725 -12.887 -0.254 476 HD3 PRO 68 2HD PRO 68 9.987 -14.576 -0.734 477 HA PRO 69 HA PRO 69 10.247 -9.607 -5.728 478 HB2 PRO 69 1HB PRO 69 8.834 -10.033 -8.006 479 HB3 PRO 69 2HB PRO 69 10.529 -10.501 -7.825 480 HG2 PRO 69 1HG PRO 69 8.064 -12.182 -7.582 481 HG3 PRO 69 2HG PRO 69 9.598 -12.557 -8.387 482 HD2 PRO 69 1HD PRO 69 8.977 -13.498 -5.926 483 HD3 PRO 69 2HD PRO 69 10.642 -13.121 -6.411 484 H ILE 70 H ILE 70 9.002 -8.245 -4.574 485 HA ILE 70 HA ILE 70 6.125 -8.653 -4.413 486 HB ILE 70 HB ILE 70 7.794 -6.470 -3.163 487 HG12 ILE 70 1HG1 ILE 70 6.697 -8.863 -1.712 488 HG13 ILE 70 2HG1 ILE 70 8.256 -8.947 -2.525 489 HG21 ILE 70 1HG2 ILE 70 4.930 -7.296 -2.921 490 HG22 ILE 70 2HG2 ILE 70 5.748 -6.501 -1.578 491 HG23 ILE 70 3HG2 ILE 70 5.614 -5.685 -3.136 492 HD11 ILE 70 1HD1 ILE 70 8.237 -8.388 -0.044 493 HD12 ILE 70 2HD1 ILE 70 9.207 -7.362 -1.101 494 HD13 ILE 70 3HD1 ILE 70 7.636 -6.803 -0.528 495 H ALA 71 H ALA 71 4.663 -6.793 -4.754 496 HA ALA 71 HA ALA 71 5.587 -5.090 -6.978 497 HB1 ALA 71 1HB ALA 71 3.592 -7.037 -7.054 498 HB2 ALA 71 2HB ALA 71 2.734 -5.497 -6.996 499 HB3 ALA 71 3HB ALA 71 3.920 -5.798 -8.265 500 H VAL 72 H VAL 72 5.873 -3.133 -6.089 501 HA VAL 72 HA VAL 72 4.148 -2.152 -3.990 502 HB VAL 72 HB VAL 72 6.288 -0.627 -5.473 503 HG11 VAL 72 1HG1 VAL 72 5.862 1.062 -4.088 504 HG12 VAL 72 2HG1 VAL 72 4.407 0.194 -3.595 505 HG13 VAL 72 3HG1 VAL 72 5.903 0.000 -2.680 506 HG21 VAL 72 1HG2 VAL 72 7.671 -1.241 -3.413 507 HG22 VAL 72 2HG2 VAL 72 6.482 -2.516 -3.146 508 HG23 VAL 72 3HG2 VAL 72 7.432 -2.493 -4.632 509 H ALA 73 H ALA 73 2.384 -0.948 -4.246 510 HA ALA 73 HA ALA 73 2.038 0.581 -6.727 511 HB1 ALA 73 1HB ALA 73 0.800 -1.390 -7.177 512 HB2 ALA 73 2HB ALA 73 0.068 -1.379 -5.573 513 HB3 ALA 73 3HB ALA 73 -0.373 -0.143 -6.751 514 H LYS 74 H LYS 74 0.087 2.079 -6.528 515 HA LYS 74 HA LYS 74 -0.320 2.987 -3.768 516 HB2 LYS 74 1HB LYS 74 0.123 5.281 -4.337 517 HB3 LYS 74 2HB LYS 74 1.515 4.316 -4.811 518 HG2 LYS 74 1HG LYS 74 0.962 4.458 -7.098 519 HG3 LYS 74 2HG LYS 74 -0.651 5.080 -6.745 520 HD2 LYS 74 1HD LYS 74 0.146 7.187 -6.181 521 HD3 LYS 74 2HD LYS 74 1.777 6.592 -5.860 522 HE2 LYS 74 1HE LYS 74 0.709 6.324 -8.620 523 HE3 LYS 74 2HE LYS 74 1.176 7.932 -8.067 524 HZ1 LYS 74 1HZ LYS 74 3.299 6.571 -7.304 525 HZ2 LYS 74 2HZ LYS 74 3.164 7.241 -8.850 526 HZ3 LYS 74 3HZ LYS 74 2.836 5.599 -8.609 527 H ILE 75 H ILE 75 -2.243 4.158 -3.414 528 HA ILE 75 HA ILE 75 -4.115 4.349 -5.656 529 HB ILE 75 HB ILE 75 -4.781 2.969 -3.053 530 HG12 ILE 75 1HG1 ILE 75 -4.960 1.729 -5.779 531 HG13 ILE 75 2HG1 ILE 75 -3.417 1.768 -4.932 532 HG21 ILE 75 1HG2 ILE 75 -6.991 2.784 -3.772 533 HG22 ILE 75 2HG2 ILE 75 -6.552 4.439 -4.189 534 HG23 ILE 75 3HG2 ILE 75 -6.583 3.195 -5.437 535 HD11 ILE 75 1HD1 ILE 75 -4.969 -0.297 -4.720 536 HD12 ILE 75 2HD1 ILE 75 -4.131 0.321 -3.296 537 HD13 ILE 75 3HD1 ILE 75 -5.834 0.702 -3.552 538 H ASP 76 H ASP 76 -5.557 6.013 -5.509 539 HA ASP 76 HA ASP 76 -5.076 7.935 -3.373 540 HB2 ASP 76 1HB ASP 76 -5.215 8.420 -5.948 541 HB3 ASP 76 2HB ASP 76 -6.952 8.431 -5.655 542 H ALA 77 H ALA 77 -6.157 6.800 -1.686 543 HA ALA 77 HA ALA 77 -8.593 5.698 -1.515 544 HB1 ALA 77 1HB ALA 77 -8.486 6.009 0.727 545 HB2 ALA 77 2HB ALA 77 -6.841 6.508 0.330 546 HB3 ALA 77 3HB ALA 77 -8.094 7.723 0.583 547 H THR 78 H THR 78 -8.066 9.217 -1.280 548 HA THR 78 HA THR 78 -10.567 10.172 -0.943 549 HB THR 78 HB THR 78 -9.970 12.138 -2.299 550 HG1 THR 78 1HG THR 78 -8.844 10.862 -3.951 551 HG21 THR 78 1HG2 THR 78 -9.067 11.895 -0.016 552 HG22 THR 78 2HG2 THR 78 -7.974 12.792 -1.071 553 HG23 THR 78 3HG2 THR 78 -7.638 11.105 -0.681 554 H SER 79 H SER 79 -9.229 8.998 -4.006 555 HA SER 79 HA SER 79 -11.684 9.515 -5.434 556 HB2 SER 79 1HB SER 79 -9.306 9.587 -6.411 557 HB3 SER 79 2HB SER 79 -9.394 7.826 -6.432 558 HG SER 79 HG SER 79 -10.280 8.202 -8.317 559 H ALA 80 H ALA 80 -9.987 6.714 -4.117 560 HA ALA 80 HA ALA 80 -12.147 4.943 -4.974 561 HB1 ALA 80 1HB ALA 80 -10.534 3.432 -5.144 562 HB2 ALA 80 2HB ALA 80 -9.365 4.616 -4.560 563 HB3 ALA 80 3HB ALA 80 -10.204 3.569 -3.417 564 H SER 81 H SER 81 -13.860 5.429 -3.645 565 HA SER 81 HA SER 81 -13.633 5.800 -0.840 566 HB2 SER 81 1HB SER 81 -15.538 6.522 -2.459 567 HB3 SER 81 2HB SER 81 -16.171 4.901 -2.177 568 HG SER 81 HG SER 81 -16.808 5.509 -0.272 569 H MET 82 H MET 82 -15.097 3.118 -2.687 570 HA MET 82 HA MET 82 -15.626 1.357 -0.686 571 HB2 MET 82 1HB MET 82 -15.960 1.086 -3.214 572 HB3 MET 82 2HB MET 82 -14.328 0.433 -3.241 573 HG2 MET 82 1HG MET 82 -16.337 -0.704 -1.356 574 HG3 MET 82 2HG MET 82 -16.380 -1.152 -3.060 575 HE1 MET 82 1HE MET 82 -13.209 -3.108 -3.682 576 HE2 MET 82 2HE MET 82 -14.607 -2.250 -4.331 577 HE3 MET 82 3HE MET 82 -13.160 -1.354 -3.866 578 H LEU 83 H LEU 83 -12.571 1.266 -2.534 579 HA LEU 83 HA LEU 83 -11.228 -0.545 -0.934 580 HB2 LEU 83 1HB LEU 83 -10.133 1.784 -2.500 581 HB3 LEU 83 2HB LEU 83 -9.145 0.496 -1.813 582 HG LEU 83 HG LEU 83 -11.270 0.105 -3.919 583 HD11 LEU 83 1HD1 LEU 83 -9.535 1.319 -4.953 584 HD12 LEU 83 2HD1 LEU 83 -9.247 -0.372 -5.362 585 HD13 LEU 83 3HD1 LEU 83 -8.286 0.407 -4.106 586 HD21 LEU 83 1HD2 LEU 83 -9.340 -1.728 -2.537 587 HD22 LEU 83 2HD2 LEU 83 -9.970 -2.098 -4.143 588 HD23 LEU 83 3HD2 LEU 83 -11.076 -1.922 -2.779 589 H ALA 84 H ALA 84 -11.364 2.986 -0.646 590 HA ALA 84 HA ALA 84 -9.559 3.375 1.408 591 HB1 ALA 84 1HB ALA 84 -10.854 5.395 1.964 592 HB2 ALA 84 2HB ALA 84 -10.585 5.223 0.229 593 HB3 ALA 84 3HB ALA 84 -12.158 4.826 0.921 594 H SER 85 H SER 85 -13.062 2.780 1.718 595 HA SER 85 HA SER 85 -13.062 2.668 4.539 596 HB2 SER 85 1HB SER 85 -15.099 3.053 3.185 597 HB3 SER 85 2HB SER 85 -15.013 1.389 2.608 598 HG SER 85 HG SER 85 -14.911 1.139 5.162 599 H LYS 86 H LYS 86 -12.734 0.189 2.048 600 HA LYS 86 HA LYS 86 -12.982 -2.127 3.471 601 HB2 LYS 86 1HB LYS 86 -12.308 -1.691 0.981 602 HB3 LYS 86 2HB LYS 86 -10.665 -1.830 1.592 603 HG2 LYS 86 1HG LYS 86 -11.235 -4.062 2.495 604 HG3 LYS 86 2HG LYS 86 -12.828 -3.919 1.748 605 HD2 LYS 86 1HD LYS 86 -11.868 -3.847 -0.443 606 HD3 LYS 86 2HD LYS 86 -10.236 -3.730 0.220 607 HE2 LYS 86 1HE LYS 86 -10.457 -5.971 -0.428 608 HE3 LYS 86 2HE LYS 86 -10.706 -5.985 1.317 609 HZ1 LYS 86 1HZ LYS 86 -12.322 -7.260 -0.241 610 HZ2 LYS 86 2HZ LYS 86 -13.032 -5.740 -0.460 611 HZ3 LYS 86 3HZ LYS 86 -12.931 -6.411 1.089 612 H PHE 87 H PHE 87 -9.920 -0.340 3.057 613 HA PHE 87 HA PHE 87 -8.765 -1.834 5.280 614 HB2 PHE 87 1HB PHE 87 -7.476 0.204 3.453 615 HB3 PHE 87 2HB PHE 87 -6.643 -0.828 4.611 616 HD1 PHE 87 2HD PHE 87 -8.624 -0.848 1.490 617 HD2 PHE 87 1HD PHE 87 -6.000 -3.014 4.047 618 HE1 PHE 87 2HE PHE 87 -8.367 -2.575 -0.243 619 HE2 PHE 87 1HE PHE 87 -5.738 -4.745 2.317 620 HZ PHE 87 HZ PHE 87 -6.924 -4.527 0.170 621 H ASP 88 H ASP 88 -10.873 0.164 5.703 622 HA ASP 88 HA ASP 88 -11.296 2.131 6.849 623 HB2 ASP 88 1HB ASP 88 -11.010 0.271 8.524 624 HB3 ASP 88 2HB ASP 88 -9.359 0.832 8.771 625 H VAL 89 H VAL 89 -9.408 2.735 4.955 626 HA VAL 89 HA VAL 89 -7.015 3.847 5.920 627 HB VAL 89 HB VAL 89 -8.628 4.644 3.492 628 HG11 VAL 89 1HG1 VAL 89 -6.584 5.640 2.650 629 HG12 VAL 89 2HG1 VAL 89 -7.025 6.378 4.192 630 HG13 VAL 89 3HG1 VAL 89 -5.728 5.184 4.123 631 HG21 VAL 89 1HG2 VAL 89 -7.690 2.938 2.358 632 HG22 VAL 89 2HG2 VAL 89 -6.152 3.078 3.209 633 HG23 VAL 89 3HG2 VAL 89 -7.502 2.229 3.962 634 H SER 90 H SER 90 -7.271 5.125 7.712 635 HA SER 90 HA SER 90 -8.898 7.559 7.374 636 HB2 SER 90 1HB SER 90 -9.533 5.958 9.243 637 HB3 SER 90 2HB SER 90 -8.004 6.384 10.011 638 HG SER 90 HG SER 90 -9.865 7.646 10.691 639 H GLY 91 H GLY 91 -6.308 7.386 6.293 640 HA2 GLY 91 1HA GLY 91 -5.141 9.736 7.305 641 HA3 GLY 91 2HA GLY 91 -4.268 8.356 7.957 642 H TYR 92 H TYR 92 -2.979 10.189 6.374 643 HA TYR 92 HA TYR 92 -2.006 8.504 4.269 644 HB2 TYR 92 1HB TYR 92 -2.939 11.165 3.280 645 HB3 TYR 92 2HB TYR 92 -2.670 9.672 2.388 646 HD1 TYR 92 2HD TYR 92 -5.011 11.458 4.608 647 HD2 TYR 92 1HD TYR 92 -4.419 8.071 2.102 648 HE1 TYR 92 2HE TYR 92 -7.423 10.982 4.691 649 HE2 TYR 92 1HE TYR 92 -6.829 7.587 2.177 650 HH TYR 92 HH TYR 92 -9.112 9.790 3.291 651 HA PRO 93 HA PRO 93 -0.545 8.533 2.689 652 HB2 PRO 93 1HB PRO 93 1.941 7.476 2.965 653 HB3 PRO 93 2HB PRO 93 1.602 8.885 1.952 654 HG2 PRO 93 1HG PRO 93 2.714 8.772 4.729 655 HG3 PRO 93 2HG PRO 93 3.223 9.778 3.361 656 HD2 PRO 93 1HD PRO 93 1.661 10.721 5.361 657 HD3 PRO 93 2HD PRO 93 1.527 11.304 3.690 658 H THR 94 H THR 94 -0.515 6.199 2.847 659 HA THR 94 HA THR 94 -0.185 5.071 5.520 660 HB THR 94 HB THR 94 -2.778 4.917 3.973 661 HG1 THR 94 1HG THR 94 -2.615 6.777 5.251 662 HG21 THR 94 1HG2 THR 94 -1.671 3.256 6.185 663 HG22 THR 94 2HG2 THR 94 -2.706 2.792 4.834 664 HG23 THR 94 3HG2 THR 94 -3.389 3.652 6.214 665 H ILE 95 H ILE 95 1.142 3.413 5.208 666 HA ILE 95 HA ILE 95 1.033 1.920 2.696 667 HB ILE 95 HB ILE 95 3.059 1.823 4.935 668 HG12 ILE 95 1HG1 ILE 95 3.402 2.906 2.138 669 HG13 ILE 95 2HG1 ILE 95 2.936 3.918 3.500 670 HG21 ILE 95 1HG2 ILE 95 2.762 -0.313 3.668 671 HG22 ILE 95 2HG2 ILE 95 3.241 0.555 2.210 672 HG23 ILE 95 3HG2 ILE 95 4.374 0.392 3.551 673 HD11 ILE 95 1HD1 ILE 95 5.051 4.139 4.092 674 HD12 ILE 95 2HD1 ILE 95 5.240 2.389 4.204 675 HD13 ILE 95 3HD1 ILE 95 5.519 3.210 2.668 676 H LYS 96 H LYS 96 0.334 -0.127 2.542 677 HA LYS 96 HA LYS 96 -0.132 -1.652 5.008 678 HB2 LYS 96 1HB LYS 96 -2.118 -1.474 2.737 679 HB3 LYS 96 2HB LYS 96 -2.317 -2.362 4.242 680 HG2 LYS 96 1HG LYS 96 -1.924 0.054 5.269 681 HG3 LYS 96 2HG LYS 96 -2.565 0.538 3.697 682 HD2 LYS 96 1HD LYS 96 -4.548 -0.820 4.065 683 HD3 LYS 96 2HD LYS 96 -3.899 -1.382 5.607 684 HE2 LYS 96 1HE LYS 96 -4.350 1.531 5.017 685 HE3 LYS 96 2HE LYS 96 -5.616 0.500 5.681 686 HZ1 LYS 96 1HZ LYS 96 -4.255 0.047 7.586 687 HZ2 LYS 96 2HZ LYS 96 -4.365 1.723 7.390 688 HZ3 LYS 96 3HZ LYS 96 -2.955 0.910 6.932 689 H ILE 97 H ILE 97 -0.963 -3.982 4.226 690 HA ILE 97 HA ILE 97 0.603 -4.857 1.912 691 HB ILE 97 HB ILE 97 0.819 -6.136 4.639 692 HG12 ILE 97 1HG1 ILE 97 3.151 -5.033 3.138 693 HG13 ILE 97 2HG1 ILE 97 2.088 -3.902 3.967 694 HG21 ILE 97 1HG2 ILE 97 1.370 -7.102 1.958 695 HG22 ILE 97 2HG2 ILE 97 2.784 -7.181 3.007 696 HG23 ILE 97 3HG2 ILE 97 1.288 -7.984 3.483 697 HD11 ILE 97 1HD1 ILE 97 2.770 -6.101 5.687 698 HD12 ILE 97 2HD1 ILE 97 4.218 -5.322 5.049 699 HD13 ILE 97 3HD1 ILE 97 3.014 -4.371 5.919 700 H LEU 98 H LEU 98 -0.503 -6.232 0.682 701 HA LEU 98 HA LEU 98 -2.927 -7.454 1.800 702 HB2 LEU 98 1HB LEU 98 -2.967 -5.927 -0.253 703 HB3 LEU 98 2HB LEU 98 -2.223 -7.273 -1.113 704 HG LEU 98 HG LEU 98 -4.231 -8.652 -0.395 705 HD11 LEU 98 1HD1 LEU 98 -6.040 -7.719 0.599 706 HD12 LEU 98 2HD1 LEU 98 -5.756 -6.131 -0.114 707 HD13 LEU 98 3HD1 LEU 98 -4.805 -6.657 1.275 708 HD21 LEU 98 1HD2 LEU 98 -5.291 -8.158 -2.353 709 HD22 LEU 98 2HD2 LEU 98 -3.759 -7.331 -2.637 710 HD23 LEU 98 3HD2 LEU 98 -5.173 -6.415 -2.109 711 H LYS 99 H LYS 99 -2.504 -9.430 2.562 712 HA LYS 99 HA LYS 99 -0.703 -11.188 1.052 713 HB2 LYS 99 1HB LYS 99 -1.680 -11.182 3.895 714 HB3 LYS 99 2HB LYS 99 -0.986 -12.633 3.183 715 HG2 LYS 99 1HG LYS 99 0.509 -10.054 3.041 716 HG3 LYS 99 2HG LYS 99 0.513 -10.999 4.532 717 HD2 LYS 99 1HD LYS 99 1.138 -12.308 1.914 718 HD3 LYS 99 2HD LYS 99 2.379 -11.386 2.766 719 HE2 LYS 99 1HE LYS 99 2.340 -12.825 4.612 720 HE3 LYS 99 2HE LYS 99 0.786 -13.518 4.151 721 HZ1 LYS 99 1HZ LYS 99 2.094 -15.166 3.392 722 HZ2 LYS 99 2HZ LYS 99 3.458 -14.180 3.226 723 HZ3 LYS 99 3HZ LYS 99 2.256 -14.167 2.036 724 H LYS 100 H LYS 100 -1.752 -12.316 -0.457 725 HA LYS 100 HA LYS 100 -3.384 -13.513 -1.524 726 HB2 LYS 100 1HB LYS 100 -3.583 -14.796 1.207 727 HB3 LYS 100 2HB LYS 100 -4.110 -15.509 -0.311 728 HG2 LYS 100 1HG LYS 100 -1.759 -15.429 -1.102 729 HG3 LYS 100 2HG LYS 100 -1.284 -14.865 0.502 730 HD2 LYS 100 1HD LYS 100 -2.498 -16.970 1.362 731 HD3 LYS 100 2HD LYS 100 -2.396 -17.532 -0.309 732 HE2 LYS 100 1HE LYS 100 0.072 -16.484 0.977 733 HE3 LYS 100 2HE LYS 100 -0.510 -18.073 1.471 734 HZ1 LYS 100 1HZ LYS 100 0.691 -18.750 -0.281 735 HZ2 LYS 100 2HZ LYS 100 0.676 -17.237 -1.035 736 HZ3 LYS 100 3HZ LYS 100 -0.655 -18.270 -1.186 737 H GLY 101 H GLY 101 -4.250 -11.050 -0.065 738 HA2 GLY 101 1HA GLY 101 -6.445 -10.120 -0.376 739 HA3 GLY 101 2HA GLY 101 -7.121 -11.704 -0.026 740 H GLN 102 H GLN 102 -4.557 -10.797 2.020 741 HA GLN 102 HA GLN 102 -6.481 -10.268 4.174 742 HB2 GLN 102 1HB GLN 102 -3.777 -11.516 4.067 743 HB3 GLN 102 2HB GLN 102 -4.239 -10.675 5.541 744 HG2 GLN 102 1HG GLN 102 -5.843 -12.878 4.268 745 HG3 GLN 102 2HG GLN 102 -4.689 -13.109 5.580 746 HE21 GLN 102 1HE2 GLN 102 -7.761 -11.740 4.667 747 HE22 GLN 102 2HE2 GLN 102 -8.369 -11.530 6.271 748 H ALA 103 H ALA 103 -6.460 -8.406 5.311 749 HA ALA 103 HA ALA 103 -4.733 -6.271 4.323 750 HB1 ALA 103 1HB ALA 103 -7.117 -5.819 4.435 751 HB2 ALA 103 2HB ALA 103 -7.120 -6.168 6.164 752 HB3 ALA 103 3HB ALA 103 -6.238 -4.770 5.548 753 H VAL 104 H VAL 104 -2.840 -6.012 5.306 754 HA VAL 104 HA VAL 104 -2.667 -6.510 8.203 755 HB VAL 104 HB VAL 104 -0.481 -6.503 6.117 756 HG11 VAL 104 1HG1 VAL 104 0.688 -7.548 8.294 757 HG12 VAL 104 2HG1 VAL 104 0.761 -5.832 7.886 758 HG13 VAL 104 3HG1 VAL 104 -0.414 -6.409 9.069 759 HG21 VAL 104 1HG2 VAL 104 -1.943 -8.483 6.090 760 HG22 VAL 104 2HG2 VAL 104 -0.299 -8.875 6.595 761 HG23 VAL 104 3HG2 VAL 104 -1.586 -8.754 7.796 762 H ASP 105 H ASP 105 -2.854 -4.685 9.325 763 HA ASP 105 HA ASP 105 -2.243 -2.114 8.248 764 HB2 ASP 105 1HB ASP 105 -2.551 -1.474 10.768 765 HB3 ASP 105 2HB ASP 105 -3.939 -2.006 9.823 766 H TYR 106 H TYR 106 -0.217 -1.491 7.894 767 HA TYR 106 HA TYR 106 2.055 -2.576 9.147 768 HB2 TYR 106 1HB TYR 106 2.300 -1.560 6.995 769 HB3 TYR 106 2HB TYR 106 1.654 -0.029 7.574 770 HD1 TYR 106 2HD TYR 106 4.454 -2.380 8.367 771 HD2 TYR 106 1HD TYR 106 3.166 1.657 7.993 772 HE1 TYR 106 2HE TYR 106 6.737 -1.612 8.865 773 HE2 TYR 106 1HE TYR 106 5.445 2.437 8.489 774 HH TYR 106 HH TYR 106 7.511 1.850 9.049 775 H ASP 107 H ASP 107 3.218 -1.994 10.899 776 HA ASP 107 HA ASP 107 2.486 0.466 12.322 777 HB2 ASP 107 1HB ASP 107 1.283 -0.955 13.673 778 HB3 ASP 107 2HB ASP 107 2.326 -2.333 13.334 779 H GLY 108 H GLY 108 4.329 1.594 12.145 780 HA2 GLY 108 1HA GLY 108 6.553 1.162 13.674 781 HA3 GLY 108 2HA GLY 108 6.913 0.341 12.163 782 H SER 109 H SER 109 8.684 2.085 12.455 783 HA SER 109 HA SER 109 7.975 4.778 11.813 784 HB2 SER 109 1HB SER 109 10.567 3.273 12.026 785 HB3 SER 109 2HB SER 109 10.536 4.903 11.354 786 HG SER 109 HG SER 109 10.794 4.467 13.794 787 H ARG 110 H ARG 110 8.001 5.826 9.880 788 HA ARG 110 HA ARG 110 7.773 4.223 7.513 789 HB2 ARG 110 1HB ARG 110 6.500 6.395 8.120 790 HB3 ARG 110 2HB ARG 110 7.935 7.223 7.530 791 HG2 ARG 110 1HG ARG 110 7.660 6.291 5.348 792 HG3 ARG 110 2HG ARG 110 6.356 5.242 5.909 793 HD2 ARG 110 1HD ARG 110 5.336 7.064 4.781 794 HD3 ARG 110 2HD ARG 110 5.080 7.323 6.506 795 HE ARG 110 HE ARG 110 6.738 8.905 4.725 796 HH11 ARG 110 2HH1 ARG 110 5.823 8.157 8.000 797 HH12 ARG 110 1HH1 ARG 110 6.408 9.655 8.644 798 HH21 ARG 110 2HH2 ARG 110 7.511 10.881 5.561 799 HH22 ARG 110 1HH2 ARG 110 7.367 11.204 7.256 800 H THR 111 H THR 111 9.692 3.319 6.930 801 HA THR 111 HA THR 111 11.629 5.046 5.687 802 HB THR 111 HB THR 111 13.533 3.834 6.995 803 HG1 THR 111 1HG THR 111 11.938 2.537 8.193 804 HG21 THR 111 1HG2 THR 111 13.872 5.776 8.135 805 HG22 THR 111 2HG2 THR 111 12.214 5.843 8.733 806 HG23 THR 111 3HG2 THR 111 12.575 6.328 7.076 807 H GLN 112 H GLN 112 12.963 3.965 4.224 808 HA GLN 112 HA GLN 112 11.987 1.796 2.889 809 HB2 GLN 112 1HB GLN 112 13.802 3.302 2.088 810 HB3 GLN 112 2HB GLN 112 14.922 2.463 3.153 811 HG2 GLN 112 1HG GLN 112 14.566 0.394 1.939 812 HG3 GLN 112 2HG GLN 112 13.387 1.192 0.898 813 HE21 GLN 112 1HE2 GLN 112 14.143 2.887 -0.495 814 HE22 GLN 112 2HE2 GLN 112 15.775 2.876 -1.059 815 H GLU 113 H GLU 113 14.343 1.771 5.534 816 HA GLU 113 HA GLU 113 14.911 -0.974 5.502 817 HB2 GLU 113 1HB GLU 113 15.603 -0.632 7.880 818 HB3 GLU 113 2HB GLU 113 16.318 0.511 6.752 819 HG2 GLU 113 1HG GLU 113 14.321 2.025 7.428 820 HG3 GLU 113 2HG GLU 113 14.227 0.962 8.831 821 H GLU 114 H GLU 114 12.620 0.826 7.558 822 HA GLU 114 HA GLU 114 11.519 -1.431 8.818 823 HB2 GLU 114 1HB GLU 114 10.359 1.314 8.322 824 HB3 GLU 114 2HB GLU 114 9.595 0.100 9.338 825 HG2 GLU 114 1HG GLU 114 12.347 1.222 9.800 826 HG3 GLU 114 2HG GLU 114 10.882 1.793 10.596 827 H ILE 115 H ILE 115 9.926 0.611 6.363 828 HA ILE 115 HA ILE 115 7.765 -0.895 5.761 829 HB ILE 115 HB ILE 115 9.519 0.498 3.735 830 HG12 ILE 115 1HG1 ILE 115 7.000 1.541 5.023 831 HG13 ILE 115 2HG1 ILE 115 8.590 1.820 5.724 832 HG21 ILE 115 1HG2 ILE 115 8.145 -0.302 2.187 833 HG22 ILE 115 2HG2 ILE 115 7.155 -1.092 3.413 834 HG23 ILE 115 3HG2 ILE 115 6.825 0.579 2.956 835 HD11 ILE 115 1HD1 ILE 115 9.284 2.952 3.670 836 HD12 ILE 115 2HD1 ILE 115 7.674 2.694 2.996 837 HD13 ILE 115 3HD1 ILE 115 7.883 3.722 4.413 838 H VAL 116 H VAL 116 10.933 -1.284 4.170 839 HA VAL 116 HA VAL 116 10.212 -3.567 2.679 840 HB VAL 116 HB VAL 116 12.918 -2.561 3.556 841 HG11 VAL 116 1HG1 VAL 116 13.435 -4.762 3.154 842 HG12 VAL 116 2HG1 VAL 116 12.141 -4.964 1.972 843 HG13 VAL 116 3HG1 VAL 116 13.606 -4.083 1.536 844 HG21 VAL 116 1HG2 VAL 116 13.100 -1.818 1.233 845 HG22 VAL 116 2HG2 VAL 116 11.479 -2.431 0.906 846 HG23 VAL 116 3HG2 VAL 116 11.705 -1.091 2.030 847 H ALA 117 H ALA 117 11.642 -3.164 5.876 848 HA ALA 117 HA ALA 117 12.377 -5.810 6.374 849 HB1 ALA 117 1HB ALA 117 13.204 -4.469 8.004 850 HB2 ALA 117 2HB ALA 117 11.770 -3.442 8.042 851 HB3 ALA 117 3HB ALA 117 11.750 -5.013 8.843 852 H LYS 118 H LYS 118 9.296 -4.150 6.960 853 HA LYS 118 HA LYS 118 8.032 -6.465 8.074 854 HB2 LYS 118 1HB LYS 118 7.230 -4.308 8.751 855 HB3 LYS 118 2HB LYS 118 6.952 -3.826 7.083 856 HG2 LYS 118 1HG LYS 118 4.842 -4.316 8.048 857 HG3 LYS 118 2HG LYS 118 5.228 -5.630 6.935 858 HD2 LYS 118 1HD LYS 118 4.487 -6.799 8.778 859 HD3 LYS 118 2HD LYS 118 6.227 -6.756 9.073 860 HE2 LYS 118 1HE LYS 118 4.999 -6.214 11.100 861 HE3 LYS 118 2HE LYS 118 5.923 -4.819 10.543 862 HZ1 LYS 118 1HZ LYS 118 3.295 -4.849 9.442 863 HZ2 LYS 118 2HZ LYS 118 4.073 -3.636 10.327 864 HZ3 LYS 118 3HZ LYS 118 3.249 -4.873 11.133 865 H VAL 119 H VAL 119 7.355 -4.649 5.075 866 HA VAL 119 HA VAL 119 5.636 -6.418 3.875 867 HB VAL 119 HB VAL 119 7.750 -4.747 2.508 868 HG11 VAL 119 1HG1 VAL 119 5.184 -5.666 1.262 869 HG12 VAL 119 2HG1 VAL 119 6.642 -5.051 0.481 870 HG13 VAL 119 3HG1 VAL 119 6.636 -6.663 1.198 871 HG21 VAL 119 1HG2 VAL 119 5.138 -4.151 3.721 872 HG22 VAL 119 2HG2 VAL 119 6.520 -3.096 3.425 873 HG23 VAL 119 3HG2 VAL 119 5.398 -3.467 2.116 874 H ARG 120 H ARG 120 9.125 -6.612 4.113 875 HA ARG 120 HA ARG 120 9.413 -8.742 2.224 876 HB2 ARG 120 1HB ARG 120 11.280 -7.255 2.685 877 HB3 ARG 120 2HB ARG 120 11.273 -7.727 4.380 878 HG2 ARG 120 1HG ARG 120 11.726 -10.093 3.550 879 HG3 ARG 120 2HG ARG 120 12.095 -9.345 1.995 880 HD2 ARG 120 1HD ARG 120 13.640 -7.805 3.427 881 HD3 ARG 120 2HD ARG 120 13.531 -9.114 4.604 882 HE ARG 120 HE ARG 120 14.900 -9.168 2.050 883 HH11 ARG 120 2HH1 ARG 120 13.644 -10.987 4.740 884 HH12 ARG 120 1HH1 ARG 120 14.653 -12.365 4.447 885 HH21 ARG 120 2HH2 ARG 120 16.234 -10.976 1.655 886 HH22 ARG 120 1HH2 ARG 120 16.126 -12.357 2.693 887 H GLU 121 H GLU 121 9.425 -8.558 5.776 888 HA GLU 121 HA GLU 121 9.770 -11.322 6.215 889 HB2 GLU 121 1HB GLU 121 9.598 -10.834 8.437 890 HB3 GLU 121 2HB GLU 121 9.893 -9.211 7.829 891 HG2 GLU 121 1HG GLU 121 7.485 -8.774 7.841 892 HG3 GLU 121 2HG GLU 121 7.202 -10.394 8.476 893 H VAL 122 H VAL 122 6.952 -9.347 5.610 894 HA VAL 122 HA VAL 122 5.012 -11.266 6.416 895 HB VAL 122 HB VAL 122 4.728 -8.945 4.502 896 HG11 VAL 122 1HG1 VAL 122 2.994 -10.939 4.612 897 HG12 VAL 122 2HG1 VAL 122 2.443 -10.062 6.040 898 HG13 VAL 122 3HG1 VAL 122 2.467 -9.262 4.468 899 HG21 VAL 122 1HG2 VAL 122 4.388 -7.567 6.260 900 HG22 VAL 122 2HG2 VAL 122 3.623 -8.821 7.236 901 HG23 VAL 122 3HG2 VAL 122 5.380 -8.755 7.105 902 H SER 123 H SER 123 6.376 -10.353 3.267 903 HA SER 123 HA SER 123 4.891 -11.838 1.540 904 HB2 SER 123 1HB SER 123 7.905 -11.774 1.373 905 HB3 SER 123 2HB SER 123 6.747 -11.841 0.045 906 HG SER 123 HG SER 123 7.525 -9.678 1.631 907 H GLN 124 H GLN 124 7.485 -13.014 3.631 908 HA GLN 124 HA GLN 124 7.821 -15.575 2.705 909 HB2 GLN 124 1HB GLN 124 7.675 -14.852 5.633 910 HB3 GLN 124 2HB GLN 124 8.579 -16.175 4.907 911 HG2 GLN 124 1HG GLN 124 9.167 -13.251 4.891 912 HG3 GLN 124 2HG GLN 124 10.212 -14.603 5.321 913 HE21 GLN 124 1HE2 GLN 124 9.258 -12.458 2.891 914 HE22 GLN 124 2HE2 GLN 124 10.152 -13.152 1.585 915 HA PRO 125 HA PRO 125 3.960 -17.625 3.228 916 HB2 PRO 125 1HB PRO 125 4.850 -20.190 3.267 917 HB3 PRO 125 2HB PRO 125 4.785 -19.217 1.792 918 HG2 PRO 125 1HG PRO 125 7.118 -19.804 3.574 919 HG3 PRO 125 2HG PRO 125 7.039 -19.789 1.803 920 HD2 PRO 125 1HD PRO 125 8.057 -17.727 3.233 921 HD3 PRO 125 2HD PRO 125 7.213 -17.494 1.688 922 H ASP 126 H ASP 126 6.610 -18.096 5.446 923 HA ASP 126 HA ASP 126 5.140 -19.627 7.364 924 HB2 ASP 126 1HB ASP 126 7.614 -17.991 7.918 925 HB3 ASP 126 2HB ASP 126 7.055 -19.432 8.762 926 H TRP 127 H TRP 127 5.941 -16.210 6.969 927 HA TRP 127 HA TRP 127 5.146 -15.170 9.378 928 HB2 TRP 127 1HB TRP 127 6.117 -13.761 7.674 929 HB3 TRP 127 2HB TRP 127 4.739 -14.027 6.609 930 HD1 TRP 127 HD TRP 127 5.970 -11.776 9.334 931 HE1 TRP 127 1HE TRP 127 4.168 -10.029 9.904 932 HE3 TRP 127 3HE TRP 127 2.038 -13.799 6.768 933 HZ2 TRP 127 2HZ TRP 127 1.440 -9.569 9.341 934 HZ3 TRP 127 3HZ TRP 127 -0.134 -12.643 6.836 935 HH2 TRP 127 HH TRP 127 -0.425 -10.573 8.096 936 H THR 128 H THR 128 3.201 -14.318 10.201 937 HA THR 128 HA THR 128 0.718 -15.024 8.839 938 HB THR 128 HB THR 128 -0.216 -16.052 10.904 939 HG1 THR 128 1HG THR 128 1.313 -15.193 12.394 940 HG21 THR 128 1HG2 THR 128 1.332 -18.164 10.747 941 HG22 THR 128 2HG2 THR 128 2.059 -17.279 9.406 942 HG23 THR 128 3HG2 THR 128 0.343 -17.682 9.370 943 HA PRO 129 HA PRO 129 -0.678 -11.200 10.493 944 HB2 PRO 129 1HB PRO 129 -3.351 -11.659 10.613 945 HB3 PRO 129 2HB PRO 129 -2.488 -11.405 9.092 946 HG2 PRO 129 1HG PRO 129 -3.355 -13.968 10.372 947 HG3 PRO 129 2HG PRO 129 -3.449 -13.479 8.670 948 HD2 PRO 129 1HD PRO 129 -1.508 -15.116 9.611 949 HD3 PRO 129 2HD PRO 129 -1.235 -13.981 8.273 950 HA PRO 130 HA PRO 130 -0.975 -11.669 14.874 951 HB2 PRO 130 1HB PRO 130 -1.837 -9.171 15.498 952 HB3 PRO 130 2HB PRO 130 -0.175 -9.519 15.004 953 HG2 PRO 130 1HG PRO 130 -2.447 -8.436 13.382 954 HG3 PRO 130 2HG PRO 130 -0.749 -7.927 13.408 955 HD2 PRO 130 1HD PRO 130 -1.761 -9.525 11.471 956 HD3 PRO 130 2HD PRO 130 -0.081 -9.649 12.029 957 HA PRO 131 HA PRO 131 -5.179 -12.709 15.728 958 HB2 PRO 131 1HB PRO 131 -5.047 -12.801 18.438 959 HB3 PRO 131 2HB PRO 131 -4.349 -14.050 17.399 960 HG2 PRO 131 1HG PRO 131 -3.004 -11.746 18.758 961 HG3 PRO 131 2HG PRO 131 -2.463 -13.429 18.610 962 HD2 PRO 131 1HD PRO 131 -1.505 -11.446 17.033 963 HD3 PRO 131 2HD PRO 131 -1.678 -13.119 16.465 964 H GLU 132 H GLU 132 -4.050 -9.731 15.888 965 HA GLU 132 HA GLU 132 -5.719 -8.446 17.795 966 HB2 GLU 132 1HB GLU 132 -3.633 -7.459 16.855 967 HB3 GLU 132 2HB GLU 132 -4.459 -7.264 15.315 968 HG2 GLU 132 1HG GLU 132 -6.085 -5.777 16.383 969 HG3 GLU 132 2HG GLU 132 -5.229 -5.955 17.913 970 H VAL 133 H VAL 133 -7.653 -9.779 17.080 971 HA VAL 133 HA VAL 133 -9.545 -10.102 15.764 972 HB VAL 133 HB VAL 133 -9.667 -7.149 16.397 973 HG11 VAL 133 1HG1 VAL 133 -11.464 -8.871 14.985 974 HG12 VAL 133 2HG1 VAL 133 -12.212 -8.347 16.495 975 HG13 VAL 133 3HG1 VAL 133 -11.620 -7.151 15.341 976 HG21 VAL 133 1HG2 VAL 133 -11.082 -9.163 18.040 977 HG22 VAL 133 2HG2 VAL 133 -9.330 -9.074 18.222 978 HG23 VAL 133 3HG2 VAL 133 -10.322 -7.644 18.514 979 H THR 134 H THR 134 -7.701 -10.148 13.904 980 HA THR 134 HA THR 134 -7.548 -8.118 12.015 981 HB THR 134 HB THR 134 -7.057 -9.955 10.357 982 HG1 THR 134 1HG THR 134 -7.444 -11.600 12.656 983 HG21 THR 134 1HG2 THR 134 -5.020 -9.467 11.142 984 HG22 THR 134 2HG2 THR 134 -5.192 -10.877 12.188 985 HG23 THR 134 3HG2 THR 134 -5.620 -9.276 12.789 986 H SER 135 H SER 135 -8.647 -7.688 10.090 987 HA SER 135 HA SER 135 -10.904 -9.158 9.203 988 HB2 SER 135 1HB SER 135 -11.906 -8.162 11.235 989 HB3 SER 135 2HB SER 135 -11.511 -6.555 10.628 990 HG SER 135 HG SER 135 -12.832 -7.917 8.741 991 H GLY 136 H GLY 136 -11.516 -8.546 7.169 992 HA2 GLY 136 1HA GLY 136 -10.492 -5.989 6.139 993 HA3 GLY 136 2HA GLY 136 -10.065 -7.479 5.310 994 HA PRO 137 HA PRO 137 -13.644 -6.932 2.819 995 HB2 PRO 137 1HB PRO 137 -13.935 -9.479 1.926 996 HB3 PRO 137 2HB PRO 137 -12.661 -8.399 1.349 997 HG2 PRO 137 1HG PRO 137 -12.517 -10.569 3.406 998 HG3 PRO 137 2HG PRO 137 -11.370 -10.177 2.111 999 HD2 PRO 137 1HD PRO 137 -10.977 -9.425 4.682 1000 HD3 PRO 137 2HD PRO 137 -10.416 -8.453 3.306 1001 H SER 138 H SER 138 -15.843 -7.144 2.946 1002 HA SER 138 HA SER 138 -17.113 -7.684 5.290 1003 HB2 SER 138 1HB SER 138 -18.132 -7.909 2.458 1004 HB3 SER 138 2HB SER 138 -19.189 -8.107 3.856 1005 HG SER 138 HG SER 138 -18.127 -5.833 2.776 1006 H SER 139 H SER 139 -18.417 -9.414 6.075 1007 HA SER 139 HA SER 139 -17.213 -11.998 5.618 1008 HB2 SER 139 1HB SER 139 -17.994 -10.993 7.881 1009 HB3 SER 139 2HB SER 139 -19.602 -11.519 7.382 1010 HG SER 139 HG SER 139 -18.277 -13.609 6.954 1011 H GLY 140 H GLY 140 -18.373 -11.261 3.287 1012 HA2 GLY 140 1HA GLY 140 -19.618 -12.369 1.667 1013 HA3 GLY 140 2HA GLY 140 -20.330 -13.360 2.931 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.718 -32.538 -22.845 2 HA2 GLY 1 1HA GLY 1 1.438 -32.372 -20.211 3 HA3 GLY 1 2HA GLY 1 2.873 -31.400 -20.498 4 H SER 2 H SER 2 -0.495 -31.586 -20.811 5 HA SER 2 HA SER 2 -0.712 -29.575 -22.880 6 HB2 SER 2 1HB SER 2 -2.383 -31.428 -22.600 7 HB3 SER 2 2HB SER 2 -2.896 -30.668 -21.093 8 HG SER 2 HG SER 2 -2.878 -29.319 -23.584 9 H SER 3 H SER 3 -1.595 -27.490 -22.592 10 HA SER 3 HA SER 3 -2.163 -26.420 -20.010 11 HB2 SER 3 1HB SER 3 -0.273 -24.938 -19.758 12 HB3 SER 3 2HB SER 3 0.338 -26.584 -19.931 13 HG SER 3 HG SER 3 1.540 -25.564 -21.374 14 H GLY 4 H GLY 4 -2.363 -23.955 -20.142 15 HA2 GLY 4 1HA GLY 4 -3.750 -23.353 -22.641 16 HA3 GLY 4 2HA GLY 4 -3.869 -22.445 -21.141 17 H SER 5 H SER 5 -3.404 -21.479 -23.861 18 HA SER 5 HA SER 5 -0.641 -20.553 -23.803 19 HB2 SER 5 1HB SER 5 -1.213 -19.529 -26.010 20 HB3 SER 5 2HB SER 5 -1.480 -21.272 -25.959 21 HG SER 5 HG SER 5 -3.432 -20.816 -26.562 22 H SER 6 H SER 6 -3.858 -19.045 -24.139 23 HA SER 6 HA SER 6 -3.400 -17.078 -22.176 24 HB2 SER 6 1HB SER 6 -2.902 -15.136 -23.410 25 HB3 SER 6 2HB SER 6 -1.826 -16.357 -24.089 26 HG SER 6 HG SER 6 -2.763 -16.051 -25.932 27 H GLY 7 H GLY 7 -5.034 -15.139 -22.585 28 HA2 GLY 7 1HA GLY 7 -7.452 -16.128 -23.923 29 HA3 GLY 7 2HA GLY 7 -7.541 -15.755 -22.208 30 H ASP 8 H ASP 8 -9.279 -14.331 -23.255 31 HA ASP 8 HA ASP 8 -8.156 -11.838 -24.304 32 HB2 ASP 8 1HB ASP 8 -10.379 -11.277 -25.011 33 HB3 ASP 8 2HB ASP 8 -10.079 -12.950 -25.477 34 H ASP 9 H ASP 9 -7.605 -10.382 -22.829 35 HA ASP 9 HA ASP 9 -9.519 -9.483 -20.883 36 HB2 ASP 9 1HB ASP 9 -7.059 -10.995 -20.039 37 HB3 ASP 9 2HB ASP 9 -7.781 -9.778 -18.990 38 H ASP 10 H ASP 10 -8.803 -7.548 -19.753 39 HA ASP 10 HA ASP 10 -6.572 -6.193 -21.122 40 HB2 ASP 10 1HB ASP 10 -9.354 -5.240 -20.547 41 HB3 ASP 10 2HB ASP 10 -8.033 -4.075 -20.602 42 H LEU 11 H LEU 11 -8.712 -5.281 -18.434 43 HA LEU 11 HA LEU 11 -8.040 -4.107 -16.523 44 HB2 LEU 11 1HB LEU 11 -6.776 -6.006 -15.111 45 HB3 LEU 11 2HB LEU 11 -8.517 -5.983 -15.382 46 HG LEU 11 HG LEU 11 -6.828 -7.448 -17.340 47 HD11 LEU 11 1HD1 LEU 11 -7.619 -9.209 -15.224 48 HD12 LEU 11 2HD1 LEU 11 -6.569 -7.941 -14.591 49 HD13 LEU 11 3HD1 LEU 11 -6.022 -8.953 -15.927 50 HD21 LEU 11 1HD2 LEU 11 -9.258 -8.626 -16.198 51 HD22 LEU 11 2HD2 LEU 11 -8.768 -8.439 -17.882 52 HD23 LEU 11 3HD2 LEU 11 -9.504 -7.086 -17.021 53 H GLU 12 H GLU 12 -6.346 -3.074 -18.228 54 HA GLU 12 HA GLU 12 -3.601 -3.675 -17.732 55 HB2 GLU 12 1HB GLU 12 -4.623 -2.535 -19.794 56 HB3 GLU 12 2HB GLU 12 -4.635 -1.067 -18.826 57 HG2 GLU 12 1HG GLU 12 -2.266 -1.084 -18.627 58 HG3 GLU 12 2HG GLU 12 -2.160 -2.694 -19.336 59 H VAL 13 H VAL 13 -2.051 -2.119 -16.820 60 HA VAL 13 HA VAL 13 -3.148 -0.299 -14.813 61 HB VAL 13 HB VAL 13 -1.183 -2.493 -14.137 62 HG11 VAL 13 1HG1 VAL 13 -1.721 -1.486 -11.768 63 HG12 VAL 13 2HG1 VAL 13 -0.458 -0.789 -12.785 64 HG13 VAL 13 3HG1 VAL 13 -2.048 -0.029 -12.706 65 HG21 VAL 13 1HG2 VAL 13 -3.600 -3.147 -14.345 66 HG22 VAL 13 2HG2 VAL 13 -2.885 -3.425 -12.757 67 HG23 VAL 13 3HG2 VAL 13 -3.942 -2.038 -13.017 68 H LYS 14 H LYS 14 -1.768 1.368 -14.216 69 HA LYS 14 HA LYS 14 0.491 1.774 -16.026 70 HB2 LYS 14 1HB LYS 14 -1.162 3.605 -14.308 71 HB3 LYS 14 2HB LYS 14 0.386 4.130 -14.956 72 HG2 LYS 14 1HG LYS 14 -0.450 3.621 -17.233 73 HG3 LYS 14 2HG LYS 14 -2.025 3.249 -16.528 74 HD2 LYS 14 1HD LYS 14 -2.349 5.443 -17.096 75 HD3 LYS 14 2HD LYS 14 -1.727 5.641 -15.456 76 HE2 LYS 14 1HE LYS 14 0.221 5.562 -17.701 77 HE3 LYS 14 2HE LYS 14 -0.754 7.017 -17.499 78 HZ1 LYS 14 1HZ LYS 14 0.791 7.621 -16.035 79 HZ2 LYS 14 2HZ LYS 14 1.452 6.068 -15.932 80 HZ3 LYS 14 3HZ LYS 14 0.113 6.481 -14.984 81 H GLU 15 H GLU 15 2.332 3.131 -14.974 82 HA GLU 15 HA GLU 15 2.921 2.340 -12.240 83 HB2 GLU 15 1HB GLU 15 4.891 1.141 -12.693 84 HB3 GLU 15 2HB GLU 15 3.714 0.504 -13.832 85 HG2 GLU 15 1HG GLU 15 4.655 1.801 -15.618 86 HG3 GLU 15 2HG GLU 15 5.745 2.619 -14.501 87 H GLU 16 H GLU 16 4.336 3.700 -11.209 88 HA GLU 16 HA GLU 16 5.470 5.890 -12.821 89 HB2 GLU 16 1HB GLU 16 3.967 6.014 -10.219 90 HB3 GLU 16 2HB GLU 16 5.081 7.290 -10.690 91 HG2 GLU 16 1HG GLU 16 3.657 7.205 -12.918 92 HG3 GLU 16 2HG GLU 16 2.440 6.562 -11.817 93 H ASN 17 H ASN 17 7.554 5.160 -12.868 94 HA ASN 17 HA ASN 17 9.684 4.806 -12.153 95 HB2 ASN 17 1HB ASN 17 8.569 6.264 -9.760 96 HB3 ASN 17 2HB ASN 17 10.247 5.737 -9.836 97 HD21 ASN 17 1HD2 ASN 17 8.411 8.334 -10.169 98 HD22 ASN 17 2HD2 ASN 17 9.292 9.210 -11.369 99 H GLY 18 H GLY 18 7.658 2.755 -11.783 100 HA2 GLY 18 1HA GLY 18 8.206 0.524 -11.074 101 HA3 GLY 18 2HA GLY 18 9.038 1.214 -9.687 102 H VAL 19 H VAL 19 6.655 3.111 -9.413 103 HA VAL 19 HA VAL 19 5.159 1.381 -7.636 104 HB VAL 19 HB VAL 19 4.825 4.334 -8.184 105 HG11 VAL 19 1HG1 VAL 19 3.119 2.530 -6.872 106 HG12 VAL 19 2HG1 VAL 19 3.922 3.462 -5.606 107 HG13 VAL 19 3HG1 VAL 19 3.028 4.291 -6.881 108 HG21 VAL 19 1HG2 VAL 19 6.033 3.197 -5.700 109 HG22 VAL 19 2HG2 VAL 19 7.025 3.390 -7.146 110 HG23 VAL 19 3HG2 VAL 19 6.241 4.794 -6.421 111 H TRP 20 H TRP 20 3.699 0.111 -8.615 112 HA TRP 20 HA TRP 20 2.319 0.758 -10.990 113 HB2 TRP 20 1HB TRP 20 1.647 -1.279 -8.856 114 HB3 TRP 20 2HB TRP 20 0.910 -1.209 -10.455 115 HD1 TRP 20 HD TRP 20 3.943 -2.493 -8.638 116 HE1 TRP 20 1HE TRP 20 5.467 -3.751 -10.288 117 HE3 TRP 20 3HE TRP 20 1.680 -1.148 -13.021 118 HZ2 TRP 20 2HZ TRP 20 5.682 -4.123 -13.078 119 HZ3 TRP 20 3HZ TRP 20 2.607 -1.997 -15.136 120 HH2 TRP 20 HH TRP 20 4.567 -3.453 -15.161 121 H VAL 21 H VAL 21 0.094 1.229 -11.307 122 HA VAL 21 HA VAL 21 -1.096 2.730 -9.070 123 HB VAL 21 HB VAL 21 -1.587 3.054 -12.034 124 HG11 VAL 21 1HG1 VAL 21 -3.543 3.564 -10.602 125 HG12 VAL 21 2HG1 VAL 21 -2.562 4.751 -9.740 126 HG13 VAL 21 3HG1 VAL 21 -2.918 4.976 -11.453 127 HG21 VAL 21 1HG2 VAL 21 0.638 3.815 -11.331 128 HG22 VAL 21 2HG2 VAL 21 -0.391 5.162 -11.817 129 HG23 VAL 21 3HG2 VAL 21 -0.107 4.842 -10.106 130 H LEU 22 H LEU 22 -2.367 1.244 -8.065 131 HA LEU 22 HA LEU 22 -4.156 -0.426 -9.652 132 HB2 LEU 22 1HB LEU 22 -3.602 -0.329 -6.691 133 HB3 LEU 22 2HB LEU 22 -4.729 -1.445 -7.460 134 HG LEU 22 HG LEU 22 -1.736 -1.361 -7.836 135 HD11 LEU 22 1HD1 LEU 22 -3.585 -3.300 -6.461 136 HD12 LEU 22 2HD1 LEU 22 -2.300 -2.337 -5.733 137 HD13 LEU 22 3HD1 LEU 22 -1.898 -3.646 -6.845 138 HD21 LEU 22 1HD2 LEU 22 -2.877 -1.941 -9.921 139 HD22 LEU 22 2HD2 LEU 22 -3.786 -3.195 -9.077 140 HD23 LEU 22 3HD2 LEU 22 -2.034 -3.332 -9.239 141 H ASN 23 H ASN 23 -6.442 -0.647 -8.866 142 HA ASN 23 HA ASN 23 -7.646 1.517 -7.449 143 HB2 ASN 23 1HB ASN 23 -9.083 2.031 -9.641 144 HB3 ASN 23 2HB ASN 23 -7.609 2.916 -9.260 145 HD21 ASN 23 1HD2 ASN 23 -8.935 0.268 -11.144 146 HD22 ASN 23 2HD2 ASN 23 -7.721 0.290 -12.374 147 H ASP 24 H ASP 24 -9.992 1.295 -7.307 148 HA ASP 24 HA ASP 24 -10.886 -1.191 -6.677 149 HB2 ASP 24 1HB ASP 24 -13.183 -0.334 -6.941 150 HB3 ASP 24 2HB ASP 24 -12.138 0.836 -6.139 151 H GLY 25 H GLY 25 -10.434 0.086 -9.844 152 HA2 GLY 25 1HA GLY 25 -12.166 -1.797 -11.172 153 HA3 GLY 25 2HA GLY 25 -11.029 -0.700 -11.942 154 H ASN 26 H ASN 26 -8.665 -1.478 -10.691 155 HA ASN 26 HA ASN 26 -8.375 -4.242 -11.673 156 HB2 ASN 26 1HB ASN 26 -6.205 -3.718 -12.489 157 HB3 ASN 26 2HB ASN 26 -7.249 -2.402 -13.018 158 HD21 ASN 26 1HD2 ASN 26 -6.162 -0.581 -12.964 159 HD22 ASN 26 2HD2 ASN 26 -5.110 -0.059 -11.697 160 H PHE 27 H PHE 27 -8.916 -3.093 -8.924 161 HA PHE 27 HA PHE 27 -6.564 -3.526 -7.372 162 HB2 PHE 27 1HB PHE 27 -8.561 -2.112 -6.705 163 HB3 PHE 27 2HB PHE 27 -9.412 -3.618 -6.377 164 HD1 PHE 27 1HD PHE 27 -6.689 -1.409 -5.316 165 HD2 PHE 27 2HD PHE 27 -8.882 -4.954 -4.457 166 HE1 PHE 27 1HE PHE 27 -5.718 -1.458 -3.056 167 HE2 PHE 27 2HE PHE 27 -7.915 -5.008 -2.195 168 HZ PHE 27 HZ PHE 27 -6.332 -3.258 -1.492 169 H ASP 28 H ASP 28 -9.572 -5.408 -7.720 170 HA ASP 28 HA ASP 28 -8.521 -7.666 -6.324 171 HB2 ASP 28 1HB ASP 28 -10.978 -7.013 -6.561 172 HB3 ASP 28 2HB ASP 28 -10.895 -7.690 -8.185 173 H ASN 29 H ASN 29 -9.076 -6.906 -9.743 174 HA ASN 29 HA ASN 29 -8.347 -9.363 -10.835 175 HB2 ASN 29 1HB ASN 29 -8.086 -6.562 -11.940 176 HB3 ASN 29 2HB ASN 29 -7.769 -8.010 -12.891 177 HD21 ASN 29 1HD2 ASN 29 -9.424 -9.049 -13.808 178 HD22 ASN 29 2HD2 ASN 29 -11.090 -8.651 -13.579 179 H PHE 30 H PHE 30 -6.334 -6.514 -10.153 180 HA PHE 30 HA PHE 30 -3.916 -7.550 -11.111 181 HB2 PHE 30 1HB PHE 30 -4.307 -5.161 -10.548 182 HB3 PHE 30 2HB PHE 30 -4.300 -5.588 -8.840 183 HD1 PHE 30 2HD PHE 30 -2.237 -6.228 -7.726 184 HD2 PHE 30 1HD PHE 30 -2.274 -5.087 -11.826 185 HE1 PHE 30 2HE PHE 30 0.207 -5.949 -7.667 186 HE2 PHE 30 1HE PHE 30 0.170 -4.806 -11.774 187 HZ PHE 30 HZ PHE 30 1.413 -5.236 -9.692 188 H VAL 31 H VAL 31 -4.949 -7.277 -7.705 189 HA VAL 31 HA VAL 31 -2.891 -8.853 -6.646 190 HB VAL 31 HB VAL 31 -4.146 -8.951 -4.614 191 HG11 VAL 31 1HG1 VAL 31 -5.103 -6.474 -4.645 192 HG12 VAL 31 2HG1 VAL 31 -3.371 -6.811 -4.674 193 HG13 VAL 31 3HG1 VAL 31 -4.221 -6.428 -6.171 194 HG21 VAL 31 1HG2 VAL 31 -6.272 -9.708 -5.613 195 HG22 VAL 31 2HG2 VAL 31 -6.496 -8.398 -4.453 196 HG23 VAL 31 3HG2 VAL 31 -6.565 -8.065 -6.183 197 H ALA 32 H ALA 32 -5.721 -9.733 -8.363 198 HA ALA 32 HA ALA 32 -6.458 -12.182 -7.417 199 HB1 ALA 32 1HB ALA 32 -7.381 -10.947 -9.419 200 HB2 ALA 32 2HB ALA 32 -6.072 -11.671 -10.355 201 HB3 ALA 32 3HB ALA 32 -7.271 -12.700 -9.573 202 H ASP 33 H ASP 33 -3.756 -11.540 -9.643 203 HA ASP 33 HA ASP 33 -2.778 -14.268 -9.150 204 HB2 ASP 33 1HB ASP 33 -3.164 -13.553 -11.522 205 HB3 ASP 33 2HB ASP 33 -1.899 -12.345 -11.310 206 H LYS 34 H LYS 34 -2.404 -12.536 -7.071 207 HA LYS 34 HA LYS 34 0.507 -12.307 -7.045 208 HB2 LYS 34 1HB LYS 34 -1.354 -10.058 -6.258 209 HB3 LYS 34 2HB LYS 34 0.381 -10.075 -5.969 210 HG2 LYS 34 1HG LYS 34 -0.532 -10.495 -8.754 211 HG3 LYS 34 2HG LYS 34 -0.711 -8.877 -8.071 212 HD2 LYS 34 1HD LYS 34 1.580 -8.616 -7.771 213 HD3 LYS 34 2HD LYS 34 1.884 -10.354 -7.826 214 HE2 LYS 34 1HE LYS 34 0.902 -8.768 -10.190 215 HE3 LYS 34 2HE LYS 34 2.610 -9.049 -9.857 216 HZ1 LYS 34 1HZ LYS 34 2.455 -11.232 -10.404 217 HZ2 LYS 34 2HZ LYS 34 1.221 -10.643 -11.399 218 HZ3 LYS 34 3HZ LYS 34 0.840 -11.374 -9.922 219 H ASP 35 H ASP 35 1.346 -13.092 -5.220 220 HA ASP 35 HA ASP 35 -0.390 -14.091 -3.167 221 HB2 ASP 35 1HB ASP 35 2.632 -13.990 -3.173 222 HB3 ASP 35 2HB ASP 35 1.610 -15.023 -2.177 223 H THR 36 H THR 36 1.985 -11.487 -3.427 224 HA THR 36 HA THR 36 0.785 -10.225 -1.078 225 HB THR 36 HB THR 36 3.770 -10.612 -1.376 226 HG1 THR 36 1HG THR 36 2.037 -12.275 -0.419 227 HG21 THR 36 1HG2 THR 36 2.111 -8.828 0.279 228 HG22 THR 36 2HG2 THR 36 3.797 -8.675 -0.214 229 HG23 THR 36 3HG2 THR 36 3.367 -9.709 1.148 230 H VAL 37 H VAL 37 0.158 -8.283 -1.734 231 HA VAL 37 HA VAL 37 1.917 -6.781 -3.563 232 HB VAL 37 HB VAL 37 -1.103 -6.689 -3.479 233 HG11 VAL 37 1HG1 VAL 37 -0.800 -5.295 -5.544 234 HG12 VAL 37 2HG1 VAL 37 -0.283 -4.525 -4.043 235 HG13 VAL 37 3HG1 VAL 37 0.915 -5.200 -5.147 236 HG21 VAL 37 1HG2 VAL 37 0.646 -8.483 -4.790 237 HG22 VAL 37 2HG2 VAL 37 -1.105 -8.345 -4.959 238 HG23 VAL 37 3HG2 VAL 37 -0.041 -7.421 -6.020 239 H LEU 38 H LEU 38 2.640 -4.915 -2.786 240 HA LEU 38 HA LEU 38 1.632 -3.920 -0.263 241 HB2 LEU 38 1HB LEU 38 4.002 -3.958 -0.539 242 HB3 LEU 38 2HB LEU 38 3.894 -3.065 -2.055 243 HG LEU 38 HG LEU 38 2.957 -1.146 -0.631 244 HD11 LEU 38 1HD1 LEU 38 3.193 -3.095 1.371 245 HD12 LEU 38 2HD1 LEU 38 2.777 -1.392 1.564 246 HD13 LEU 38 3HD1 LEU 38 4.459 -1.908 1.688 247 HD21 LEU 38 1HD2 LEU 38 5.424 -1.697 -1.553 248 HD22 LEU 38 2HD2 LEU 38 5.759 -1.590 0.175 249 HD23 LEU 38 3HD2 LEU 38 5.018 -0.227 -0.666 250 H LEU 39 H LEU 39 0.398 -2.158 0.053 251 HA LEU 39 HA LEU 39 -0.240 -0.492 -2.291 252 HB2 LEU 39 1HB LEU 39 -2.172 -1.151 -0.083 253 HB3 LEU 39 2HB LEU 39 -2.513 -0.354 -1.618 254 HG LEU 39 HG LEU 39 -1.555 -3.197 -1.516 255 HD11 LEU 39 1HD1 LEU 39 -3.504 -3.974 -0.791 256 HD12 LEU 39 2HD1 LEU 39 -4.402 -2.937 -1.900 257 HD13 LEU 39 3HD1 LEU 39 -3.912 -2.323 -0.321 258 HD21 LEU 39 1HD2 LEU 39 -3.431 -2.040 -3.521 259 HD22 LEU 39 2HD2 LEU 39 -2.229 -3.318 -3.705 260 HD23 LEU 39 3HD2 LEU 39 -1.718 -1.631 -3.617 261 H GLU 40 H GLU 40 -0.448 1.700 -1.965 262 HA GLU 40 HA GLU 40 -0.094 2.725 0.756 263 HB2 GLU 40 1HB GLU 40 2.148 2.683 -0.107 264 HB3 GLU 40 2HB GLU 40 1.635 3.419 -1.619 265 HG2 GLU 40 1HG GLU 40 1.242 4.870 0.959 266 HG3 GLU 40 2HG GLU 40 2.822 4.855 0.178 267 H PHE 41 H PHE 41 -1.669 4.119 1.141 268 HA PHE 41 HA PHE 41 -3.052 5.405 -1.071 269 HB2 PHE 41 1HB PHE 41 -3.664 5.514 1.889 270 HB3 PHE 41 2HB PHE 41 -4.716 6.048 0.583 271 HD1 PHE 41 2HD PHE 41 -3.319 3.151 2.328 272 HD2 PHE 41 1HD PHE 41 -5.947 4.470 -0.749 273 HE1 PHE 41 2HE PHE 41 -4.312 0.903 2.217 274 HE2 PHE 41 1HE PHE 41 -6.945 2.224 -0.864 275 HZ PHE 41 HZ PHE 41 -6.127 0.436 0.619 276 H TYR 42 H TYR 42 -3.240 7.615 -1.358 277 HA TYR 42 HA TYR 42 -1.775 9.398 0.422 278 HB2 TYR 42 1HB TYR 42 -0.331 10.281 -1.222 279 HB3 TYR 42 2HB TYR 42 -0.219 8.536 -1.416 280 HD1 TYR 42 2HD TYR 42 -1.758 11.596 -2.828 281 HD2 TYR 42 1HD TYR 42 -0.787 7.502 -3.462 282 HE1 TYR 42 2HE TYR 42 -2.351 11.829 -5.204 283 HE2 TYR 42 1HE TYR 42 -1.377 7.724 -5.840 284 HH TYR 42 HH TYR 42 -3.107 9.557 -7.143 285 H ALA 43 H ALA 43 -2.012 11.736 -0.410 286 HA ALA 43 HA ALA 43 -4.661 12.097 -1.644 287 HB1 ALA 43 1HB ALA 43 -5.122 13.920 -0.081 288 HB2 ALA 43 2HB ALA 43 -4.874 12.392 0.765 289 HB3 ALA 43 3HB ALA 43 -3.593 13.604 0.740 290 HA PRO 44 HA PRO 44 -2.466 14.814 -4.353 291 HB2 PRO 44 1HB PRO 44 -4.622 16.025 -5.472 292 HB3 PRO 44 2HB PRO 44 -4.130 14.376 -5.875 293 HG2 PRO 44 1HG PRO 44 -6.270 15.310 -4.002 294 HG3 PRO 44 2HG PRO 44 -6.316 13.990 -5.185 295 HD2 PRO 44 1HD PRO 44 -5.922 13.563 -2.540 296 HD3 PRO 44 2HD PRO 44 -5.197 12.534 -3.791 297 H TRP 45 H TRP 45 -4.883 15.959 -2.080 298 HA TRP 45 HA TRP 45 -3.997 18.718 -2.345 299 HB2 TRP 45 1HB TRP 45 -5.727 18.908 -0.349 300 HB3 TRP 45 2HB TRP 45 -6.272 18.753 -2.017 301 HD1 TRP 45 HD TRP 45 -7.768 16.715 -2.591 302 HE1 TRP 45 1HE TRP 45 -8.652 14.693 -1.266 303 HE3 TRP 45 3HE TRP 45 -4.966 17.239 1.653 304 HZ2 TRP 45 2HZ TRP 45 -8.219 13.481 1.246 305 HZ3 TRP 45 3HZ TRP 45 -5.262 15.607 3.470 306 HH2 TRP 45 HH TRP 45 -6.855 13.768 3.269 307 H CYS 46 H CYS 46 -2.649 16.179 -0.961 308 HA CYS 46 HA CYS 46 -1.933 17.536 1.545 309 HB2 CYS 46 1HB CYS 46 -2.808 15.196 1.675 310 HB3 CYS 46 2HB CYS 46 -1.403 14.665 0.757 311 HG CYS 46 HG CYS 46 -0.582 13.942 3.170 312 H GLY 47 H GLY 47 0.122 18.170 1.964 313 HA2 GLY 47 1HA GLY 47 1.984 18.109 -0.282 314 HA3 GLY 47 2HA GLY 47 2.126 19.101 1.162 315 H HIS 48 H HIS 48 1.580 16.661 2.842 316 HA HIS 48 HA HIS 48 4.213 16.000 3.468 317 HB2 HIS 48 1HB HIS 48 1.560 14.759 4.105 318 HB3 HIS 48 2HB HIS 48 3.044 13.935 4.577 319 HD1 HIS 48 1HD HIS 48 3.919 14.564 6.802 320 HD2 HIS 48 2HD HIS 48 1.509 17.541 5.192 321 HE1 HIS 48 1HE HIS 48 3.747 16.328 8.586 322 HE2 HIS 48 2HE HIS 48 2.215 18.079 7.622 323 H CYS 49 H CYS 49 1.946 14.490 1.257 324 HA CYS 49 HA CYS 49 3.373 12.097 0.820 325 HB2 CYS 49 1HB CYS 49 1.999 11.858 -1.188 326 HB3 CYS 49 2HB CYS 49 1.018 12.389 0.173 327 HG CYS 49 HG CYS 49 1.808 15.163 -1.079 328 H LYS 50 H LYS 50 3.707 15.319 -0.460 329 HA LYS 50 HA LYS 50 5.169 14.827 -2.774 330 HB2 LYS 50 1HB LYS 50 5.426 17.125 -0.826 331 HB3 LYS 50 2HB LYS 50 6.101 17.105 -2.450 332 HG2 LYS 50 1HG LYS 50 3.977 17.156 -3.450 333 HG3 LYS 50 2HG LYS 50 3.167 16.734 -1.939 334 HD2 LYS 50 1HD LYS 50 3.687 18.877 -0.993 335 HD3 LYS 50 2HD LYS 50 4.702 19.293 -2.376 336 HE2 LYS 50 1HE LYS 50 2.672 19.113 -3.819 337 HE3 LYS 50 2HE LYS 50 1.713 18.903 -2.356 338 HZ1 LYS 50 1HZ LYS 50 3.289 21.284 -3.150 339 HZ2 LYS 50 2HZ LYS 50 2.638 21.081 -1.602 340 HZ3 LYS 50 3HZ LYS 50 1.613 21.177 -2.945 341 H GLN 51 H GLN 51 6.203 14.932 0.587 342 HA GLN 51 HA GLN 51 8.998 14.758 -0.023 343 HB2 GLN 51 1HB GLN 51 7.507 14.262 2.560 344 HB3 GLN 51 2HB GLN 51 9.257 14.350 2.408 345 HG2 GLN 51 1HG GLN 51 9.175 16.649 1.823 346 HG3 GLN 51 2HG GLN 51 7.421 16.603 1.647 347 HE21 GLN 51 1HE2 GLN 51 8.284 18.530 3.182 348 HE22 GLN 51 2HE2 GLN 51 8.056 18.189 4.860 349 H PHE 52 H PHE 52 6.439 12.485 0.775 350 HA PHE 52 HA PHE 52 8.245 10.242 0.964 351 HB2 PHE 52 1HB PHE 52 6.012 10.525 2.209 352 HB3 PHE 52 2HB PHE 52 5.251 10.064 0.690 353 HD1 PHE 52 1HD PHE 52 8.194 8.839 2.636 354 HD2 PHE 52 2HD PHE 52 4.515 7.899 0.713 355 HE1 PHE 52 1HE PHE 52 8.506 6.467 3.208 356 HE2 PHE 52 2HE PHE 52 4.820 5.525 1.283 357 HZ PHE 52 HZ PHE 52 6.817 4.806 2.532 358 H ALA 53 H ALA 53 6.656 11.916 -1.528 359 HA ALA 53 HA ALA 53 5.969 10.040 -3.400 360 HB1 ALA 53 1HB ALA 53 6.889 12.823 -3.488 361 HB2 ALA 53 2HB ALA 53 7.142 11.916 -4.980 362 HB3 ALA 53 3HB ALA 53 5.523 12.050 -4.292 363 HA PRO 54 HA PRO 54 10.502 9.798 -5.040 364 HB2 PRO 54 1HB PRO 54 12.438 11.005 -3.569 365 HB3 PRO 54 2HB PRO 54 11.545 11.836 -4.848 366 HG2 PRO 54 1HG PRO 54 11.127 11.918 -1.885 367 HG3 PRO 54 2HG PRO 54 11.096 13.249 -3.056 368 HD2 PRO 54 1HD PRO 54 8.839 12.107 -2.090 369 HD3 PRO 54 2HD PRO 54 8.945 12.771 -3.733 370 H GLU 55 H GLU 55 10.297 9.957 -1.498 371 HA GLU 55 HA GLU 55 12.223 8.037 -0.887 372 HB2 GLU 55 1HB GLU 55 11.048 9.576 0.728 373 HB3 GLU 55 2HB GLU 55 9.665 8.494 0.651 374 HG2 GLU 55 1HG GLU 55 11.125 6.658 1.456 375 HG3 GLU 55 2HG GLU 55 12.424 7.833 1.653 376 H TYR 56 H TYR 56 8.783 7.665 -1.619 377 HA TYR 56 HA TYR 56 8.590 4.915 -1.075 378 HB2 TYR 56 1HB TYR 56 6.732 6.674 -1.548 379 HB3 TYR 56 2HB TYR 56 6.977 6.238 -3.235 380 HD1 TYR 56 1HD TYR 56 6.972 4.129 -0.156 381 HD2 TYR 56 2HD TYR 56 5.119 5.010 -3.883 382 HE1 TYR 56 1HE TYR 56 5.482 2.194 0.134 383 HE2 TYR 56 2HE TYR 56 3.623 3.078 -3.603 384 HH TYR 56 HH TYR 56 2.876 1.523 -2.149 385 H GLU 57 H GLU 57 8.910 6.553 -4.231 386 HA GLU 57 HA GLU 57 9.093 4.511 -5.959 387 HB2 GLU 57 1HB GLU 57 11.005 6.852 -5.873 388 HB3 GLU 57 2HB GLU 57 10.721 5.825 -7.272 389 HG2 GLU 57 1HG GLU 57 8.614 6.685 -7.645 390 HG3 GLU 57 2HG GLU 57 8.437 7.248 -5.984 391 H LYS 58 H LYS 58 11.767 5.590 -3.886 392 HA LYS 58 HA LYS 58 13.748 3.868 -4.756 393 HB2 LYS 58 1HB LYS 58 13.177 4.968 -2.006 394 HB3 LYS 58 2HB LYS 58 14.624 4.041 -2.377 395 HG2 LYS 58 1HG LYS 58 15.492 5.698 -3.744 396 HG3 LYS 58 2HG LYS 58 13.919 6.460 -3.986 397 HD2 LYS 58 1HD LYS 58 15.061 7.897 -2.523 398 HD3 LYS 58 2HD LYS 58 13.975 6.971 -1.484 399 HE2 LYS 58 1HE LYS 58 15.708 5.678 -0.621 400 HE3 LYS 58 2HE LYS 58 16.786 6.055 -1.963 401 HZ1 LYS 58 1HZ LYS 58 16.456 7.416 0.509 402 HZ2 LYS 58 2HZ LYS 58 16.205 8.472 -0.788 403 HZ3 LYS 58 3HZ LYS 58 17.656 7.611 -0.668 404 H ILE 59 H ILE 59 11.291 3.301 -2.254 405 HA ILE 59 HA ILE 59 12.124 0.730 -1.513 406 HB ILE 59 HB ILE 59 9.321 1.856 -1.475 407 HG12 ILE 59 1HG1 ILE 59 11.338 1.745 0.772 408 HG13 ILE 59 2HG1 ILE 59 11.102 3.163 -0.244 409 HG21 ILE 59 1HG2 ILE 59 8.678 -0.144 -0.760 410 HG22 ILE 59 2HG2 ILE 59 10.335 -0.740 -0.837 411 HG23 ILE 59 3HG2 ILE 59 9.746 0.039 0.632 412 HD11 ILE 59 1HD1 ILE 59 8.687 2.042 1.020 413 HD12 ILE 59 2HD1 ILE 59 9.863 2.807 2.089 414 HD13 ILE 59 3HD1 ILE 59 9.161 3.719 0.753 415 H ALA 60 H ALA 60 9.745 1.779 -3.932 416 HA ALA 60 HA ALA 60 8.639 -0.543 -4.768 417 HB1 ALA 60 1HB ALA 60 9.251 0.697 -7.174 418 HB2 ALA 60 2HB ALA 60 7.812 0.959 -6.187 419 HB3 ALA 60 3HB ALA 60 9.214 2.011 -5.999 420 H SER 61 H SER 61 11.608 0.741 -6.283 421 HA SER 61 HA SER 61 12.262 -1.469 -7.792 422 HB2 SER 61 1HB SER 61 13.411 0.726 -7.931 423 HB3 SER 61 2HB SER 61 14.222 0.376 -6.404 424 HG SER 61 HG SER 61 15.654 -0.607 -7.569 425 H THR 62 H THR 62 13.507 -0.704 -4.539 426 HA THR 62 HA THR 62 15.066 -2.888 -4.059 427 HB THR 62 HB THR 62 13.176 -1.680 -2.030 428 HG1 THR 62 1HG THR 62 15.863 -0.909 -2.275 429 HG21 THR 62 1HG2 THR 62 14.066 -3.210 -0.665 430 HG22 THR 62 2HG2 THR 62 15.592 -2.341 -0.824 431 HG23 THR 62 3HG2 THR 62 15.241 -3.708 -1.881 432 H LEU 63 H LEU 63 11.644 -2.709 -3.051 433 HA LEU 63 HA LEU 63 11.419 -5.440 -2.429 434 HB2 LEU 63 1HB LEU 63 9.343 -3.382 -3.149 435 HB3 LEU 63 2HB LEU 63 8.948 -5.014 -2.614 436 HG LEU 63 HG LEU 63 10.529 -3.056 -0.956 437 HD11 LEU 63 1HD1 LEU 63 7.570 -3.602 -1.023 438 HD12 LEU 63 2HD1 LEU 63 8.393 -2.060 -1.259 439 HD13 LEU 63 3HD1 LEU 63 8.391 -2.825 0.331 440 HD21 LEU 63 1HD2 LEU 63 8.959 -5.296 0.181 441 HD22 LEU 63 2HD2 LEU 63 10.494 -4.602 0.706 442 HD23 LEU 63 3HD2 LEU 63 10.448 -5.704 -0.671 443 H LYS 64 H LYS 64 11.234 -3.729 -5.431 444 HA LYS 64 HA LYS 64 9.709 -5.435 -6.995 445 HB2 LYS 64 1HB LYS 64 10.932 -3.167 -7.535 446 HB3 LYS 64 2HB LYS 64 12.205 -4.229 -8.121 447 HG2 LYS 64 1HG LYS 64 10.978 -4.958 -9.893 448 HG3 LYS 64 2HG LYS 64 9.438 -4.744 -9.057 449 HD2 LYS 64 1HD LYS 64 9.345 -3.021 -10.574 450 HD3 LYS 64 2HD LYS 64 10.079 -2.201 -9.195 451 HE2 LYS 64 1HE LYS 64 12.318 -2.732 -10.209 452 HE3 LYS 64 2HE LYS 64 11.457 -3.281 -11.646 453 HZ1 LYS 64 1HZ LYS 64 10.801 -1.166 -12.174 454 HZ2 LYS 64 2HZ LYS 64 12.312 -0.849 -11.484 455 HZ3 LYS 64 3HZ LYS 64 10.902 -0.600 -10.583 456 H ASP 65 H ASP 65 13.277 -5.435 -6.883 457 HA ASP 65 HA ASP 65 13.309 -8.164 -7.879 458 HB2 ASP 65 1HB ASP 65 14.897 -6.293 -8.632 459 HB3 ASP 65 2HB ASP 65 15.719 -6.535 -7.094 460 H ASN 66 H ASN 66 12.228 -7.697 -5.238 461 HA ASN 66 HA ASN 66 14.248 -8.724 -3.411 462 HB2 ASN 66 1HB ASN 66 12.825 -7.012 -2.509 463 HB3 ASN 66 2HB ASN 66 11.375 -7.878 -3.009 464 HD21 ASN 66 1HD2 ASN 66 10.518 -9.373 -1.692 465 HD22 ASN 66 2HD2 ASN 66 11.185 -9.833 -0.166 466 H ASP 67 H ASP 67 13.528 -10.536 -1.915 467 HA ASP 67 HA ASP 67 12.086 -12.598 -3.449 468 HB2 ASP 67 1HB ASP 67 14.485 -13.076 -3.458 469 HB3 ASP 67 2HB ASP 67 14.527 -12.972 -1.700 470 HA PRO 68 HA PRO 68 10.578 -13.777 -3.504 471 HB2 PRO 68 1HB PRO 68 7.899 -13.365 -3.349 472 HB3 PRO 68 2HB PRO 68 8.685 -14.820 -2.724 473 HG2 PRO 68 1HG PRO 68 7.785 -12.373 -1.252 474 HG3 PRO 68 2HG PRO 68 7.615 -14.079 -0.797 475 HD2 PRO 68 1HD PRO 68 9.537 -12.478 0.241 476 HD3 PRO 68 2HD PRO 68 9.780 -14.218 -0.020 477 HA PRO 69 HA PRO 69 10.238 -9.936 -5.618 478 HB2 PRO 69 1HB PRO 69 8.699 -10.575 -7.761 479 HB3 PRO 69 2HB PRO 69 10.374 -11.111 -7.587 480 HG2 PRO 69 1HG PRO 69 7.841 -12.603 -7.025 481 HG3 PRO 69 2HG PRO 69 9.315 -13.166 -7.834 482 HD2 PRO 69 1HD PRO 69 8.762 -13.741 -5.246 483 HD3 PRO 69 2HD PRO 69 10.420 -13.526 -5.843 484 H ILE 70 H ILE 70 9.073 -8.621 -4.210 485 HA ILE 70 HA ILE 70 6.175 -8.743 -4.182 486 HB ILE 70 HB ILE 70 8.040 -6.796 -2.819 487 HG12 ILE 70 1HG1 ILE 70 6.501 -8.977 -1.448 488 HG13 ILE 70 2HG1 ILE 70 8.045 -9.339 -2.212 489 HG21 ILE 70 1HG2 ILE 70 5.073 -7.241 -2.607 490 HG22 ILE 70 2HG2 ILE 70 6.006 -6.385 -1.381 491 HG23 ILE 70 3HG2 ILE 70 5.925 -5.755 -3.026 492 HD11 ILE 70 1HD1 ILE 70 7.682 -8.459 0.355 493 HD12 ILE 70 2HD1 ILE 70 9.194 -8.411 -0.552 494 HD13 ILE 70 3HD1 ILE 70 8.150 -6.991 -0.503 495 H ALA 71 H ALA 71 4.821 -6.953 -4.724 496 HA ALA 71 HA ALA 71 6.009 -5.131 -6.714 497 HB1 ALA 71 1HB ALA 71 3.195 -5.530 -7.144 498 HB2 ALA 71 2HB ALA 71 4.547 -5.798 -8.246 499 HB3 ALA 71 3HB ALA 71 4.045 -7.076 -7.138 500 H VAL 72 H VAL 72 5.994 -3.107 -6.010 501 HA VAL 72 HA VAL 72 4.124 -2.271 -3.950 502 HB VAL 72 HB VAL 72 6.342 -0.712 -5.284 503 HG11 VAL 72 1HG1 VAL 72 6.093 0.678 -3.158 504 HG12 VAL 72 2HG1 VAL 72 4.850 0.866 -4.396 505 HG13 VAL 72 3HG1 VAL 72 4.530 -0.114 -2.965 506 HG21 VAL 72 1HG2 VAL 72 6.300 -2.653 -3.079 507 HG22 VAL 72 2HG2 VAL 72 7.630 -2.143 -4.118 508 HG23 VAL 72 3HG2 VAL 72 7.160 -1.153 -2.737 509 H ALA 73 H ALA 73 2.570 -0.696 -4.165 510 HA ALA 73 HA ALA 73 2.221 0.693 -6.683 511 HB1 ALA 73 1HB ALA 73 0.241 -0.256 -7.378 512 HB2 ALA 73 2HB ALA 73 1.109 -1.665 -6.767 513 HB3 ALA 73 3HB ALA 73 -0.137 -0.900 -5.780 514 H LYS 74 H LYS 74 0.658 2.390 -6.575 515 HA LYS 74 HA LYS 74 -0.054 3.138 -3.814 516 HB2 LYS 74 1HB LYS 74 0.239 5.449 -4.412 517 HB3 LYS 74 2HB LYS 74 1.688 4.570 -4.881 518 HG2 LYS 74 1HG LYS 74 1.001 4.568 -7.186 519 HG3 LYS 74 2HG LYS 74 -0.546 5.305 -6.761 520 HD2 LYS 74 1HD LYS 74 0.586 7.316 -6.015 521 HD3 LYS 74 2HD LYS 74 2.158 6.577 -6.330 522 HE2 LYS 74 1HE LYS 74 1.531 8.094 -8.131 523 HE3 LYS 74 2HE LYS 74 1.610 6.430 -8.709 524 HZ1 LYS 74 1HZ LYS 74 -1.001 7.011 -7.807 525 HZ2 LYS 74 2HZ LYS 74 -0.490 6.554 -9.353 526 HZ3 LYS 74 3HZ LYS 74 -0.519 8.189 -8.922 527 H ILE 75 H ILE 75 -2.034 4.261 -3.491 528 HA ILE 75 HA ILE 75 -3.938 4.169 -5.722 529 HB ILE 75 HB ILE 75 -4.445 3.032 -2.971 530 HG12 ILE 75 1HG1 ILE 75 -4.804 1.586 -5.576 531 HG13 ILE 75 2HG1 ILE 75 -3.204 1.706 -4.851 532 HG21 ILE 75 1HG2 ILE 75 -6.590 3.520 -3.264 533 HG22 ILE 75 2HG2 ILE 75 -6.253 4.210 -4.851 534 HG23 ILE 75 3HG2 ILE 75 -6.597 2.487 -4.693 535 HD11 ILE 75 1HD1 ILE 75 -4.305 -0.382 -4.268 536 HD12 ILE 75 2HD1 ILE 75 -4.027 0.615 -2.839 537 HD13 ILE 75 3HD1 ILE 75 -5.640 0.515 -3.546 538 H ASP 76 H ASP 76 -5.293 5.870 -5.821 539 HA ASP 76 HA ASP 76 -4.922 7.996 -3.874 540 HB2 ASP 76 1HB ASP 76 -6.517 9.199 -5.549 541 HB3 ASP 76 2HB ASP 76 -4.853 8.870 -6.028 542 H ALA 77 H ALA 77 -6.018 7.084 -2.085 543 HA ALA 77 HA ALA 77 -8.440 5.942 -1.844 544 HB1 ALA 77 1HB ALA 77 -7.237 8.090 -0.116 545 HB2 ALA 77 2HB ALA 77 -8.701 7.210 0.323 546 HB3 ALA 77 3HB ALA 77 -7.179 6.343 0.117 547 H THR 78 H THR 78 -7.917 9.446 -2.152 548 HA THR 78 HA THR 78 -10.454 10.411 -1.903 549 HB THR 78 HB THR 78 -9.853 12.233 -3.416 550 HG1 THR 78 1HG THR 78 -8.559 11.806 -5.025 551 HG21 THR 78 1HG2 THR 78 -7.492 11.350 -1.751 552 HG22 THR 78 2HG2 THR 78 -8.905 12.215 -1.145 553 HG23 THR 78 3HG2 THR 78 -7.823 12.992 -2.301 554 H SER 79 H SER 79 -9.044 8.884 -4.768 555 HA SER 79 HA SER 79 -11.461 9.219 -6.310 556 HB2 SER 79 1HB SER 79 -9.107 9.203 -7.273 557 HB3 SER 79 2HB SER 79 -9.104 7.460 -7.000 558 HG SER 79 HG SER 79 -10.861 8.945 -8.658 559 H ALA 80 H ALA 80 -9.801 6.600 -4.622 560 HA ALA 80 HA ALA 80 -11.959 4.746 -5.293 561 HB1 ALA 80 1HB ALA 80 -10.347 3.225 -5.289 562 HB2 ALA 80 2HB ALA 80 -9.179 4.459 -4.816 563 HB3 ALA 80 3HB ALA 80 -10.041 3.541 -3.581 564 H SER 81 H SER 81 -13.700 5.119 -4.037 565 HA SER 81 HA SER 81 -13.444 5.840 -1.258 566 HB2 SER 81 1HB SER 81 -15.267 6.741 -2.682 567 HB3 SER 81 2HB SER 81 -15.927 5.113 -2.832 568 HG SER 81 HG SER 81 -16.746 6.639 -1.097 569 H MET 82 H MET 82 -15.004 3.114 -2.956 570 HA MET 82 HA MET 82 -15.638 1.536 -0.812 571 HB2 MET 82 1HB MET 82 -16.238 1.008 -3.139 572 HB3 MET 82 2HB MET 82 -14.564 0.587 -3.474 573 HG2 MET 82 1HG MET 82 -14.757 -1.180 -1.706 574 HG3 MET 82 2HG MET 82 -16.485 -0.835 -1.654 575 HE1 MET 82 1HE MET 82 -14.227 -1.782 -5.391 576 HE2 MET 82 2HE MET 82 -13.564 -1.348 -3.815 577 HE3 MET 82 3HE MET 82 -13.831 -3.044 -4.224 578 H LEU 83 H LEU 83 -12.594 1.331 -2.664 579 HA LEU 83 HA LEU 83 -11.322 -0.551 -1.062 580 HB2 LEU 83 1HB LEU 83 -10.131 1.721 -2.644 581 HB3 LEU 83 2HB LEU 83 -9.210 0.378 -1.970 582 HG LEU 83 HG LEU 83 -11.335 0.172 -4.104 583 HD11 LEU 83 1HD1 LEU 83 -8.332 0.124 -4.187 584 HD12 LEU 83 2HD1 LEU 83 -9.440 1.154 -5.093 585 HD13 LEU 83 3HD1 LEU 83 -9.328 -0.566 -5.468 586 HD21 LEU 83 1HD2 LEU 83 -10.255 -1.776 -2.314 587 HD22 LEU 83 2HD2 LEU 83 -9.722 -2.135 -3.957 588 HD23 LEU 83 3HD2 LEU 83 -11.443 -1.985 -3.601 589 H ALA 84 H ALA 84 -11.118 3.000 -0.893 590 HA ALA 84 HA ALA 84 -9.358 3.326 1.171 591 HB1 ALA 84 1HB ALA 84 -10.253 5.220 0.000 592 HB2 ALA 84 2HB ALA 84 -11.872 4.894 0.620 593 HB3 ALA 84 3HB ALA 84 -10.594 5.410 1.720 594 H SER 85 H SER 85 -12.857 2.758 1.465 595 HA SER 85 HA SER 85 -12.932 2.801 4.282 596 HB2 SER 85 1HB SER 85 -14.924 3.017 2.776 597 HB3 SER 85 2HB SER 85 -14.798 1.291 2.439 598 HG SER 85 HG SER 85 -15.829 0.958 4.226 599 H LYS 86 H LYS 86 -12.390 0.215 1.955 600 HA LYS 86 HA LYS 86 -12.638 -2.039 3.474 601 HB2 LYS 86 1HB LYS 86 -11.830 -1.695 1.009 602 HB3 LYS 86 2HB LYS 86 -10.223 -1.736 1.723 603 HG2 LYS 86 1HG LYS 86 -10.625 -3.946 2.604 604 HG3 LYS 86 2HG LYS 86 -12.290 -3.906 2.020 605 HD2 LYS 86 1HD LYS 86 -11.678 -4.230 -0.158 606 HD3 LYS 86 2HD LYS 86 -10.114 -3.440 0.050 607 HE2 LYS 86 1HE LYS 86 -9.102 -5.342 0.812 608 HE3 LYS 86 2HE LYS 86 -10.591 -5.987 1.502 609 HZ1 LYS 86 1HZ LYS 86 -10.848 -7.215 -0.303 610 HZ2 LYS 86 2HZ LYS 86 -9.426 -6.587 -0.970 611 HZ3 LYS 86 3HZ LYS 86 -10.908 -5.830 -1.272 612 H PHE 87 H PHE 87 -9.624 -0.154 3.152 613 HA PHE 87 HA PHE 87 -8.562 -1.486 5.522 614 HB2 PHE 87 1HB PHE 87 -7.201 0.500 3.692 615 HB3 PHE 87 2HB PHE 87 -6.429 -0.502 4.917 616 HD1 PHE 87 2HD PHE 87 -8.201 -0.583 1.678 617 HD2 PHE 87 1HD PHE 87 -5.770 -2.711 4.448 618 HE1 PHE 87 2HE PHE 87 -7.836 -2.344 -0.001 619 HE2 PHE 87 1HE PHE 87 -5.400 -4.475 2.774 620 HZ PHE 87 HZ PHE 87 -6.434 -4.294 0.546 621 H ASP 88 H ASP 88 -10.747 0.424 5.749 622 HA ASP 88 HA ASP 88 -11.315 2.426 6.759 623 HB2 ASP 88 1HB ASP 88 -10.760 0.587 8.529 624 HB3 ASP 88 2HB ASP 88 -9.362 1.599 8.881 625 H VAL 89 H VAL 89 -9.340 2.953 4.880 626 HA VAL 89 HA VAL 89 -7.096 4.324 5.886 627 HB VAL 89 HB VAL 89 -8.543 4.740 3.266 628 HG11 VAL 89 1HG1 VAL 89 -7.189 6.632 3.552 629 HG12 VAL 89 2HG1 VAL 89 -5.886 5.697 4.288 630 HG13 VAL 89 3HG1 VAL 89 -6.220 5.540 2.563 631 HG21 VAL 89 1HG2 VAL 89 -7.708 2.780 2.644 632 HG22 VAL 89 2HG2 VAL 89 -6.079 3.371 2.971 633 HG23 VAL 89 3HG2 VAL 89 -6.994 2.561 4.242 634 H SER 90 H SER 90 -7.593 5.770 7.494 635 HA SER 90 HA SER 90 -9.263 8.067 6.704 636 HB2 SER 90 1HB SER 90 -10.052 6.536 8.642 637 HB3 SER 90 2HB SER 90 -8.762 7.301 9.570 638 HG SER 90 HG SER 90 -9.768 9.343 8.911 639 H GLY 91 H GLY 91 -6.589 7.991 5.996 640 HA2 GLY 91 1HA GLY 91 -5.635 10.435 6.930 641 HA3 GLY 91 2HA GLY 91 -4.862 9.187 7.896 642 H TYR 92 H TYR 92 -3.274 10.791 6.428 643 HA TYR 92 HA TYR 92 -2.005 8.914 4.660 644 HB2 TYR 92 1HB TYR 92 -2.699 11.552 3.404 645 HB3 TYR 92 2HB TYR 92 -2.176 10.062 2.628 646 HD1 TYR 92 2HD TYR 92 -5.023 11.830 4.133 647 HD2 TYR 92 1HD TYR 92 -3.753 8.319 2.091 648 HE1 TYR 92 2HE TYR 92 -7.371 11.247 3.686 649 HE2 TYR 92 1HE TYR 92 -6.097 7.728 1.638 650 HH TYR 92 HH TYR 92 -8.764 9.767 2.803 651 HA PRO 93 HA PRO 93 -0.350 9.036 3.112 652 HB2 PRO 93 1HB PRO 93 2.077 7.919 3.597 653 HB3 PRO 93 2HB PRO 93 1.870 9.389 2.636 654 HG2 PRO 93 1HG PRO 93 2.667 9.099 5.507 655 HG3 PRO 93 2HG PRO 93 3.336 10.171 4.263 656 HD2 PRO 93 1HD PRO 93 1.575 11.029 6.132 657 HD3 PRO 93 2HD PRO 93 1.633 11.707 4.492 658 H THR 94 H THR 94 -0.514 6.742 3.137 659 HA THR 94 HA THR 94 -0.408 5.420 5.742 660 HB THR 94 HB THR 94 -2.884 5.475 4.008 661 HG1 THR 94 1HG THR 94 -2.848 7.248 5.350 662 HG21 THR 94 1HG2 THR 94 -1.951 3.579 6.057 663 HG22 THR 94 2HG2 THR 94 -3.136 3.365 4.768 664 HG23 THR 94 3HG2 THR 94 -3.601 4.162 6.271 665 H ILE 95 H ILE 95 0.788 3.666 5.454 666 HA ILE 95 HA ILE 95 0.765 2.334 2.837 667 HB ILE 95 HB ILE 95 2.742 2.047 5.102 668 HG12 ILE 95 1HG1 ILE 95 3.377 3.271 2.446 669 HG13 ILE 95 2HG1 ILE 95 2.560 4.247 3.661 670 HG21 ILE 95 1HG2 ILE 95 2.200 0.317 2.980 671 HG22 ILE 95 2HG2 ILE 95 3.659 1.189 2.512 672 HG23 ILE 95 3HG2 ILE 95 3.612 0.302 4.036 673 HD11 ILE 95 1HD1 ILE 95 5.129 4.314 3.507 674 HD12 ILE 95 2HD1 ILE 95 4.371 4.202 5.096 675 HD13 ILE 95 3HD1 ILE 95 5.060 2.764 4.343 676 H LYS 96 H LYS 96 0.105 0.271 2.590 677 HA LYS 96 HA LYS 96 -0.447 -1.339 4.976 678 HB2 LYS 96 1HB LYS 96 -2.414 -0.744 2.763 679 HB3 LYS 96 2HB LYS 96 -2.626 -2.044 3.929 680 HG2 LYS 96 1HG LYS 96 -2.176 0.729 4.917 681 HG3 LYS 96 2HG LYS 96 -3.764 0.278 4.292 682 HD2 LYS 96 1HD LYS 96 -3.608 -1.734 5.867 683 HD3 LYS 96 2HD LYS 96 -2.272 -0.872 6.633 684 HE2 LYS 96 1HE LYS 96 -3.878 1.097 6.831 685 HE3 LYS 96 2HE LYS 96 -5.155 -0.047 6.420 686 HZ1 LYS 96 1HZ LYS 96 -4.747 -1.285 8.357 687 HZ2 LYS 96 2HZ LYS 96 -4.737 0.331 8.858 688 HZ3 LYS 96 3HZ LYS 96 -3.278 -0.503 8.664 689 H ILE 97 H ILE 97 -0.897 -3.642 4.412 690 HA ILE 97 HA ILE 97 0.466 -4.437 1.925 691 HB ILE 97 HB ILE 97 0.782 -5.759 4.623 692 HG12 ILE 97 1HG1 ILE 97 2.980 -4.501 3.009 693 HG13 ILE 97 2HG1 ILE 97 1.988 -3.518 4.081 694 HG21 ILE 97 1HG2 ILE 97 1.481 -7.574 3.557 695 HG22 ILE 97 2HG2 ILE 97 1.049 -6.820 2.023 696 HG23 ILE 97 3HG2 ILE 97 2.676 -6.623 2.674 697 HD11 ILE 97 1HD1 ILE 97 2.686 -5.565 5.720 698 HD12 ILE 97 2HD1 ILE 97 4.117 -5.420 4.699 699 HD13 ILE 97 3HD1 ILE 97 3.535 -4.024 5.606 700 H LEU 98 H LEU 98 -0.413 -6.115 0.810 701 HA LEU 98 HA LEU 98 -2.893 -7.261 1.908 702 HB2 LEU 98 1HB LEU 98 -3.005 -5.805 -0.163 703 HB3 LEU 98 2HB LEU 98 -2.141 -7.094 -1.000 704 HG LEU 98 HG LEU 98 -4.087 -8.602 -0.245 705 HD11 LEU 98 1HD1 LEU 98 -6.005 -7.703 0.558 706 HD12 LEU 98 2HD1 LEU 98 -5.762 -6.162 -0.263 707 HD13 LEU 98 3HD1 LEU 98 -4.876 -6.520 1.219 708 HD21 LEU 98 1HD2 LEU 98 -3.547 -7.363 -2.550 709 HD22 LEU 98 2HD2 LEU 98 -5.096 -6.604 -2.180 710 HD23 LEU 98 3HD2 LEU 98 -4.982 -8.360 -2.312 711 H LYS 99 H LYS 99 -2.616 -9.266 2.611 712 HA LYS 99 HA LYS 99 -0.732 -11.021 1.183 713 HB2 LYS 99 1HB LYS 99 -0.450 -10.465 3.700 714 HB3 LYS 99 2HB LYS 99 -1.799 -11.568 3.938 715 HG2 LYS 99 1HG LYS 99 0.224 -12.779 4.273 716 HG3 LYS 99 2HG LYS 99 -0.492 -13.322 2.754 717 HD2 LYS 99 1HD LYS 99 1.045 -11.935 1.496 718 HD3 LYS 99 2HD LYS 99 1.714 -11.276 2.991 719 HE2 LYS 99 1HE LYS 99 3.260 -12.903 2.404 720 HE3 LYS 99 2HE LYS 99 2.235 -13.737 3.571 721 HZ1 LYS 99 1HZ LYS 99 2.676 -15.105 1.626 722 HZ2 LYS 99 2HZ LYS 99 1.993 -13.932 0.617 723 HZ3 LYS 99 3HZ LYS 99 1.027 -14.745 1.743 724 H LYS 100 H LYS 100 -1.881 -12.104 -0.308 725 HA LYS 100 HA LYS 100 -3.523 -13.361 -1.279 726 HB2 LYS 100 1HB LYS 100 -3.581 -14.633 1.463 727 HB3 LYS 100 2HB LYS 100 -4.139 -15.367 -0.035 728 HG2 LYS 100 1HG LYS 100 -1.711 -14.993 -0.842 729 HG3 LYS 100 2HG LYS 100 -1.345 -14.825 0.877 730 HD2 LYS 100 1HD LYS 100 -2.934 -17.167 -0.089 731 HD3 LYS 100 2HD LYS 100 -1.178 -17.162 -0.268 732 HE2 LYS 100 1HE LYS 100 -2.503 -16.567 2.360 733 HE3 LYS 100 2HE LYS 100 -2.168 -18.220 1.847 734 HZ1 LYS 100 1HZ LYS 100 -0.446 -16.640 3.186 735 HZ2 LYS 100 2HZ LYS 100 0.077 -16.431 1.591 736 HZ3 LYS 100 3HZ LYS 100 0.001 -17.983 2.259 737 H GLY 101 H GLY 101 -4.385 -10.897 0.111 738 HA2 GLY 101 1HA GLY 101 -6.574 -9.981 -0.022 739 HA3 GLY 101 2HA GLY 101 -7.232 -11.585 0.266 740 H GLN 102 H GLN 102 -4.626 -10.666 2.283 741 HA GLN 102 HA GLN 102 -6.523 -10.175 4.482 742 HB2 GLN 102 1HB GLN 102 -3.800 -11.470 4.467 743 HB3 GLN 102 2HB GLN 102 -4.593 -10.948 5.947 744 HG2 GLN 102 1HG GLN 102 -6.169 -12.595 5.854 745 HG3 GLN 102 2HG GLN 102 -6.094 -12.720 4.097 746 HE21 GLN 102 1HE2 GLN 102 -5.791 -14.892 3.976 747 HE22 GLN 102 2HE2 GLN 102 -4.375 -15.697 4.550 748 H ALA 103 H ALA 103 -6.630 -8.081 4.946 749 HA ALA 103 HA ALA 103 -4.607 -6.202 4.296 750 HB1 ALA 103 1HB ALA 103 -6.812 -5.385 4.352 751 HB2 ALA 103 2HB ALA 103 -7.097 -6.030 5.969 752 HB3 ALA 103 3HB ALA 103 -6.010 -4.659 5.746 753 H VAL 104 H VAL 104 -2.722 -6.004 5.298 754 HA VAL 104 HA VAL 104 -2.570 -6.618 8.173 755 HB VAL 104 HB VAL 104 -0.355 -6.573 6.118 756 HG11 VAL 104 1HG1 VAL 104 -0.365 -6.985 9.086 757 HG12 VAL 104 2HG1 VAL 104 0.880 -7.717 8.072 758 HG13 VAL 104 3HG1 VAL 104 0.687 -5.964 8.107 759 HG21 VAL 104 1HG2 VAL 104 -0.769 -9.081 7.465 760 HG22 VAL 104 2HG2 VAL 104 -2.256 -8.552 6.678 761 HG23 VAL 104 3HG2 VAL 104 -0.774 -8.724 5.737 762 H ASP 105 H ASP 105 -3.088 -4.655 9.067 763 HA ASP 105 HA ASP 105 -2.349 -2.133 8.211 764 HB2 ASP 105 1HB ASP 105 -2.521 -1.529 10.708 765 HB3 ASP 105 2HB ASP 105 -3.946 -2.214 9.932 766 H TYR 106 H TYR 106 -0.419 -1.275 7.875 767 HA TYR 106 HA TYR 106 1.956 -2.437 9.014 768 HB2 TYR 106 1HB TYR 106 2.080 -1.675 6.739 769 HB3 TYR 106 2HB TYR 106 1.516 -0.070 7.188 770 HD1 TYR 106 2HD TYR 106 4.371 -2.384 7.268 771 HD2 TYR 106 1HD TYR 106 3.018 1.554 8.138 772 HE1 TYR 106 2HE TYR 106 6.702 -1.652 7.550 773 HE2 TYR 106 1HE TYR 106 5.345 2.298 8.421 774 HH TYR 106 HH TYR 106 7.538 1.323 8.948 775 H ASP 107 H ASP 107 2.300 -2.046 11.116 776 HA ASP 107 HA ASP 107 1.945 0.696 12.115 777 HB2 ASP 107 1HB ASP 107 1.998 -1.982 13.493 778 HB3 ASP 107 2HB ASP 107 2.190 -0.478 14.389 779 H GLY 108 H GLY 108 3.869 1.615 11.423 780 HA2 GLY 108 1HA GLY 108 6.109 1.266 13.123 781 HA3 GLY 108 2HA GLY 108 6.414 0.498 11.572 782 H SER 109 H SER 109 8.164 2.305 11.962 783 HA SER 109 HA SER 109 7.347 4.976 11.313 784 HB2 SER 109 1HB SER 109 9.466 4.129 12.621 785 HB3 SER 109 2HB SER 109 10.177 4.037 11.009 786 HG SER 109 HG SER 109 10.591 6.073 11.506 787 H ARG 110 H ARG 110 7.713 6.113 9.397 788 HA ARG 110 HA ARG 110 7.480 4.529 7.009 789 HB2 ARG 110 1HB ARG 110 7.280 7.414 7.702 790 HB3 ARG 110 2HB ARG 110 7.667 7.011 6.035 791 HG2 ARG 110 1HG ARG 110 5.647 5.672 5.867 792 HG3 ARG 110 2HG ARG 110 5.265 6.019 7.555 793 HD2 ARG 110 1HD ARG 110 5.730 8.313 5.724 794 HD3 ARG 110 2HD ARG 110 4.220 7.417 5.561 795 HE ARG 110 HE ARG 110 4.272 7.888 8.186 796 HH11 ARG 110 2HH1 ARG 110 4.863 9.986 5.471 797 HH12 ARG 110 1HH1 ARG 110 4.299 11.409 6.281 798 HH21 ARG 110 2HH2 ARG 110 3.526 9.755 9.263 799 HH22 ARG 110 1HH2 ARG 110 3.539 11.277 8.439 800 H THR 111 H THR 111 9.538 3.462 7.043 801 HA THR 111 HA THR 111 11.649 5.112 5.848 802 HB THR 111 HB THR 111 13.298 3.589 7.161 803 HG1 THR 111 1HG THR 111 12.444 2.423 8.703 804 HG21 THR 111 1HG2 THR 111 13.692 5.646 7.945 805 HG22 THR 111 2HG2 THR 111 12.585 5.255 9.262 806 HG23 THR 111 3HG2 THR 111 11.990 6.093 7.829 807 H GLN 112 H GLN 112 13.174 3.920 4.563 808 HA GLN 112 HA GLN 112 11.972 1.901 2.995 809 HB2 GLN 112 1HB GLN 112 14.793 2.950 3.153 810 HB3 GLN 112 2HB GLN 112 14.319 1.691 2.021 811 HG2 GLN 112 1HG GLN 112 14.225 3.678 0.798 812 HG3 GLN 112 2HG GLN 112 12.548 3.307 1.195 813 HE21 GLN 112 1HE2 GLN 112 14.953 5.633 1.258 814 HE22 GLN 112 2HE2 GLN 112 14.181 6.778 2.296 815 H GLU 113 H GLU 113 14.438 1.814 5.529 816 HA GLU 113 HA GLU 113 15.093 -0.910 5.302 817 HB2 GLU 113 1HB GLU 113 15.910 -0.669 7.657 818 HB3 GLU 113 2HB GLU 113 16.540 0.536 6.542 819 HG2 GLU 113 1HG GLU 113 15.196 2.231 7.433 820 HG3 GLU 113 2HG GLU 113 14.147 1.082 8.261 821 H GLU 114 H GLU 114 12.620 0.770 7.185 822 HA GLU 114 HA GLU 114 11.723 -1.611 8.511 823 HB2 GLU 114 1HB GLU 114 10.626 1.186 8.295 824 HB3 GLU 114 2HB GLU 114 9.750 -0.095 9.121 825 HG2 GLU 114 1HG GLU 114 12.563 0.670 9.836 826 HG3 GLU 114 2HG GLU 114 11.147 1.426 10.565 827 H ILE 115 H ILE 115 9.973 0.575 6.302 828 HA ILE 115 HA ILE 115 7.814 -0.921 5.687 829 HB ILE 115 HB ILE 115 9.451 0.654 3.698 830 HG12 ILE 115 1HG1 ILE 115 6.950 1.551 5.113 831 HG13 ILE 115 2HG1 ILE 115 8.540 1.776 5.834 832 HG21 ILE 115 1HG2 ILE 115 7.239 0.857 2.508 833 HG22 ILE 115 2HG2 ILE 115 7.992 -0.736 2.453 834 HG23 ILE 115 3HG2 ILE 115 6.650 -0.433 3.556 835 HD11 ILE 115 1HD1 ILE 115 7.763 2.820 3.125 836 HD12 ILE 115 2HD1 ILE 115 7.670 3.755 4.618 837 HD13 ILE 115 3HD1 ILE 115 9.231 3.178 4.033 838 H VAL 116 H VAL 116 11.002 -1.250 4.155 839 HA VAL 116 HA VAL 116 10.237 -3.375 2.429 840 HB VAL 116 HB VAL 116 12.948 -2.443 3.369 841 HG11 VAL 116 1HG1 VAL 116 13.498 -3.847 1.143 842 HG12 VAL 116 2HG1 VAL 116 13.599 -4.523 2.770 843 HG13 VAL 116 3HG1 VAL 116 12.164 -4.805 1.784 844 HG21 VAL 116 1HG2 VAL 116 11.234 -1.229 1.665 845 HG22 VAL 116 2HG2 VAL 116 12.989 -1.083 1.572 846 HG23 VAL 116 3HG2 VAL 116 12.145 -2.242 0.545 847 H ALA 117 H ALA 117 11.813 -3.249 5.597 848 HA ALA 117 HA ALA 117 12.460 -5.941 5.876 849 HB1 ALA 117 1HB ALA 117 11.979 -3.693 7.742 850 HB2 ALA 117 2HB ALA 117 11.957 -5.322 8.418 851 HB3 ALA 117 3HB ALA 117 13.387 -4.741 7.564 852 H LYS 118 H LYS 118 9.477 -4.247 6.815 853 HA LYS 118 HA LYS 118 8.168 -6.541 7.829 854 HB2 LYS 118 1HB LYS 118 7.457 -4.300 8.454 855 HB3 LYS 118 2HB LYS 118 7.042 -3.937 6.784 856 HG2 LYS 118 1HG LYS 118 5.026 -4.390 7.961 857 HG3 LYS 118 2HG LYS 118 5.339 -5.753 6.885 858 HD2 LYS 118 1HD LYS 118 4.708 -6.752 8.903 859 HD3 LYS 118 2HD LYS 118 6.471 -6.842 8.914 860 HE2 LYS 118 1HE LYS 118 5.180 -4.457 10.131 861 HE3 LYS 118 2HE LYS 118 5.093 -5.984 11.009 862 HZ1 LYS 118 1HZ LYS 118 7.440 -4.350 10.353 863 HZ2 LYS 118 2HZ LYS 118 7.634 -6.024 10.500 864 HZ3 LYS 118 3HZ LYS 118 7.040 -5.125 11.803 865 H VAL 119 H VAL 119 7.450 -4.722 4.842 866 HA VAL 119 HA VAL 119 5.707 -6.460 3.657 867 HB VAL 119 HB VAL 119 7.862 -4.887 2.237 868 HG11 VAL 119 1HG1 VAL 119 6.599 -6.750 0.982 869 HG12 VAL 119 2HG1 VAL 119 5.211 -5.665 1.077 870 HG13 VAL 119 3HG1 VAL 119 6.681 -5.148 0.250 871 HG21 VAL 119 1HG2 VAL 119 6.327 -3.089 2.108 872 HG22 VAL 119 2HG2 VAL 119 5.001 -4.081 2.716 873 HG23 VAL 119 3HG2 VAL 119 6.322 -3.619 3.790 874 H ARG 120 H ARG 120 9.177 -6.770 3.928 875 HA ARG 120 HA ARG 120 9.420 -8.903 2.035 876 HB2 ARG 120 1HB ARG 120 11.222 -7.644 4.065 877 HB3 ARG 120 2HB ARG 120 11.669 -9.193 3.362 878 HG2 ARG 120 1HG ARG 120 11.485 -8.170 1.112 879 HG3 ARG 120 2HG ARG 120 11.184 -6.614 1.889 880 HD2 ARG 120 1HD ARG 120 13.353 -6.730 2.991 881 HD3 ARG 120 2HD ARG 120 13.649 -8.310 2.266 882 HE ARG 120 HE ARG 120 13.130 -6.191 0.376 883 HH11 ARG 120 2HH1 ARG 120 15.538 -7.930 2.191 884 HH12 ARG 120 1HH1 ARG 120 16.834 -7.516 1.118 885 HH21 ARG 120 2HH2 ARG 120 14.827 -5.639 -1.045 886 HH22 ARG 120 1HH2 ARG 120 16.429 -6.212 -0.722 887 H GLU 121 H GLU 121 9.417 -8.731 5.589 888 HA GLU 121 HA GLU 121 9.655 -11.505 6.024 889 HB2 GLU 121 1HB GLU 121 9.325 -11.046 8.272 890 HB3 GLU 121 2HB GLU 121 9.931 -9.510 7.671 891 HG2 GLU 121 1HG GLU 121 7.805 -8.522 7.728 892 HG3 GLU 121 2HG GLU 121 6.996 -10.080 7.894 893 H VAL 122 H VAL 122 6.872 -9.402 5.564 894 HA VAL 122 HA VAL 122 4.899 -11.324 6.259 895 HB VAL 122 HB VAL 122 4.650 -8.880 4.499 896 HG11 VAL 122 1HG1 VAL 122 2.273 -9.716 5.929 897 HG12 VAL 122 2HG1 VAL 122 2.487 -9.339 4.218 898 HG13 VAL 122 3HG1 VAL 122 2.845 -10.959 4.816 899 HG21 VAL 122 1HG2 VAL 122 4.134 -9.272 7.445 900 HG22 VAL 122 2HG2 VAL 122 5.413 -8.298 6.721 901 HG23 VAL 122 3HG2 VAL 122 3.726 -7.821 6.530 902 H SER 123 H SER 123 5.976 -10.100 3.085 903 HA SER 123 HA SER 123 4.492 -11.545 1.363 904 HB2 SER 123 1HB SER 123 6.331 -11.472 -0.218 905 HB3 SER 123 2HB SER 123 6.322 -9.978 0.718 906 HG SER 123 HG SER 123 7.885 -11.235 2.117 907 H GLN 124 H GLN 124 7.104 -12.782 3.351 908 HA GLN 124 HA GLN 124 7.543 -15.252 2.188 909 HB2 GLN 124 1HB GLN 124 7.489 -14.629 5.146 910 HB3 GLN 124 2HB GLN 124 8.283 -16.007 4.397 911 HG2 GLN 124 1HG GLN 124 8.996 -13.110 3.999 912 HG3 GLN 124 2HG GLN 124 9.889 -14.286 4.962 913 HE21 GLN 124 1HE2 GLN 124 10.587 -12.659 2.554 914 HE22 GLN 124 2HE2 GLN 124 11.199 -13.803 1.414 915 HA PRO 125 HA PRO 125 3.769 -17.470 2.656 916 HB2 PRO 125 1HB PRO 125 4.745 -19.997 2.481 917 HB3 PRO 125 2HB PRO 125 4.607 -18.922 1.085 918 HG2 PRO 125 1HG PRO 125 7.007 -19.554 2.759 919 HG3 PRO 125 2HG PRO 125 6.878 -19.413 0.996 920 HD2 PRO 125 1HD PRO 125 7.866 -17.426 2.548 921 HD3 PRO 125 2HD PRO 125 6.971 -17.110 1.048 922 H ASP 126 H ASP 126 6.508 -18.062 4.747 923 HA ASP 126 HA ASP 126 5.087 -19.730 6.597 924 HB2 ASP 126 1HB ASP 126 7.757 -18.341 6.659 925 HB3 ASP 126 2HB ASP 126 7.124 -19.176 8.074 926 H TRP 127 H TRP 127 5.976 -16.313 6.441 927 HA TRP 127 HA TRP 127 5.287 -15.463 8.962 928 HB2 TRP 127 1HB TRP 127 6.281 -13.958 7.343 929 HB3 TRP 127 2HB TRP 127 4.848 -14.053 6.323 930 HD1 TRP 127 HD TRP 127 6.336 -12.061 9.086 931 HE1 TRP 127 1HE TRP 127 4.644 -10.319 9.938 932 HE3 TRP 127 3HE TRP 127 2.131 -13.813 6.766 933 HZ2 TRP 127 2HZ TRP 127 1.890 -9.762 9.663 934 HZ3 TRP 127 3HZ TRP 127 0.008 -12.619 7.113 935 HH2 TRP 127 HH TRP 127 -0.108 -10.636 8.532 936 H THR 128 H THR 128 3.424 -14.855 10.007 937 HA THR 128 HA THR 128 0.873 -15.267 8.617 938 HB THR 128 HB THR 128 -0.010 -16.398 10.696 939 HG1 THR 128 1HG THR 128 1.468 -17.203 12.153 940 HG21 THR 128 1HG2 THR 128 0.227 -17.918 8.997 941 HG22 THR 128 2HG2 THR 128 1.388 -18.578 10.149 942 HG23 THR 128 3HG2 THR 128 1.948 -17.592 8.799 943 HA PRO 129 HA PRO 129 -0.410 -11.589 10.645 944 HB2 PRO 129 1HB PRO 129 -3.074 -12.042 10.907 945 HB3 PRO 129 2HB PRO 129 -2.308 -11.685 9.354 946 HG2 PRO 129 1HG PRO 129 -3.115 -14.328 10.505 947 HG3 PRO 129 2HG PRO 129 -3.315 -13.720 8.851 948 HD2 PRO 129 1HD PRO 129 -1.332 -15.428 9.545 949 HD3 PRO 129 2HD PRO 129 -1.136 -14.202 8.276 950 HA PRO 130 HA PRO 130 -0.387 -12.421 14.988 951 HB2 PRO 130 1HB PRO 130 -1.035 -9.933 15.861 952 HB3 PRO 130 2HB PRO 130 0.562 -10.342 15.221 953 HG2 PRO 130 1HG PRO 130 -1.738 -8.995 13.857 954 HG3 PRO 130 2HG PRO 130 -0.011 -8.595 13.797 955 HD2 PRO 130 1HD PRO 130 -1.259 -9.967 11.824 956 HD3 PRO 130 2HD PRO 130 0.444 -10.239 12.246 957 HA PRO 131 HA PRO 131 -4.517 -13.168 16.309 958 HB2 PRO 131 1HB PRO 131 -4.285 -12.870 18.997 959 HB3 PRO 131 2HB PRO 131 -3.619 -14.254 18.124 960 HG2 PRO 131 1HG PRO 131 -2.238 -11.780 19.088 961 HG3 PRO 131 2HG PRO 131 -1.694 -13.466 19.163 962 HD2 PRO 131 1HD PRO 131 -0.804 -11.731 17.284 963 HD3 PRO 131 2HD PRO 131 -0.989 -13.468 16.968 964 H GLU 132 H GLU 132 -3.186 -10.140 16.360 965 HA GLU 132 HA GLU 132 -5.199 -8.780 17.904 966 HB2 GLU 132 1HB GLU 132 -2.830 -7.968 17.589 967 HB3 GLU 132 2HB GLU 132 -3.261 -7.570 15.932 968 HG2 GLU 132 1HG GLU 132 -3.475 -5.561 17.075 969 HG3 GLU 132 2HG GLU 132 -5.129 -6.156 16.941 970 H VAL 133 H VAL 133 -7.116 -9.538 16.878 971 HA VAL 133 HA VAL 133 -7.574 -8.675 14.123 972 HB VAL 133 HB VAL 133 -8.293 -10.922 14.609 973 HG11 VAL 133 1HG1 VAL 133 -10.342 -11.056 16.259 974 HG12 VAL 133 2HG1 VAL 133 -8.684 -11.146 16.854 975 HG13 VAL 133 3HG1 VAL 133 -9.579 -9.629 16.961 976 HG21 VAL 133 1HG2 VAL 133 -10.198 -8.824 13.888 977 HG22 VAL 133 2HG2 VAL 133 -9.827 -10.345 13.077 978 HG23 VAL 133 3HG2 VAL 133 -10.954 -10.321 14.434 979 H THR 134 H THR 134 -8.907 -7.047 13.556 980 HA THR 134 HA THR 134 -9.477 -4.943 15.211 981 HB THR 134 HB THR 134 -9.639 -4.770 12.779 982 HG1 THR 134 1HG THR 134 -10.948 -3.406 14.339 983 HG21 THR 134 1HG2 THR 134 -11.505 -6.936 13.114 984 HG22 THR 134 2HG2 THR 134 -10.763 -6.321 11.638 985 HG23 THR 134 3HG2 THR 134 -12.261 -5.608 12.235 986 H SER 135 H SER 135 -11.264 -4.215 16.363 987 HA SER 135 HA SER 135 -13.070 -6.342 17.260 988 HB2 SER 135 1HB SER 135 -11.706 -5.058 18.941 989 HB3 SER 135 2HB SER 135 -12.635 -3.622 18.512 990 HG SER 135 HG SER 135 -14.109 -5.882 19.145 991 H GLY 136 H GLY 136 -13.148 -2.924 16.265 992 HA2 GLY 136 1HA GLY 136 -15.850 -2.441 16.326 993 HA3 GLY 136 2HA GLY 136 -14.765 -1.742 15.134 994 HA PRO 137 HA PRO 137 -17.926 -4.727 13.220 995 HB2 PRO 137 1HB PRO 137 -19.504 -2.877 12.012 996 HB3 PRO 137 2HB PRO 137 -19.805 -3.474 13.648 997 HG2 PRO 137 1HG PRO 137 -18.474 -0.940 12.771 998 HG3 PRO 137 2HG PRO 137 -19.654 -1.193 14.071 999 HD2 PRO 137 1HD PRO 137 -16.998 -0.960 14.541 1000 HD3 PRO 137 2HD PRO 137 -18.059 -1.974 15.539 1001 H SER 138 H SER 138 -18.412 -4.875 10.851 1002 HA SER 138 HA SER 138 -16.229 -3.653 9.293 1003 HB2 SER 138 1HB SER 138 -16.182 -6.173 9.634 1004 HB3 SER 138 2HB SER 138 -17.629 -6.246 8.628 1005 HG SER 138 HG SER 138 -15.363 -6.429 7.656 1006 H SER 139 H SER 139 -19.582 -4.802 9.105 1007 HA SER 139 HA SER 139 -20.059 -3.625 6.545 1008 HB2 SER 139 1HB SER 139 -22.405 -4.232 6.936 1009 HB3 SER 139 2HB SER 139 -21.338 -5.577 7.338 1010 HG SER 139 HG SER 139 -21.480 -4.695 9.568 1011 H GLY 140 H GLY 140 -21.708 -1.951 6.155 1012 HA2 GLY 140 1HA GLY 140 -23.026 -0.116 7.079 1013 HA3 GLY 140 2HA GLY 140 -21.804 0.040 8.333
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