NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
610537 | 2n9g | 25905 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.432 0.309 -2.038 3 HB2 MET 1 2HB MET 1 3.525 1.114 -0.112 4 HB3 MET 1 3HB MET 1 4.103 0.580 -1.685 5 HG2 MET 1 2HG MET 1 2.798 2.255 -2.798 6 HG3 MET 1 3HG MET 1 2.030 2.720 -1.282 7 HE1 MET 1 3HE MET 1 2.917 4.662 0.191 8 HE2 MET 1 1HE MET 1 3.733 3.250 0.864 9 HE3 MET 1 2HE MET 1 4.634 4.741 0.590 10 H SER 2 H SER 2 1.769 -1.345 -3.365 11 HA SER 2 HA SER 2 2.287 -3.428 -4.125 12 HB2 SER 2 2HB SER 2 4.705 -3.787 -2.513 13 HB3 SER 2 3HB SER 2 4.517 -3.732 -4.266 14 HG SER 2 HG SER 2 4.948 -1.633 -2.451 15 H LYS 3 H LYS 3 3.437 -5.647 -3.086 16 HA LYS 3 HA LYS 3 2.282 -6.181 -0.471 17 HB2 LYS 3 2HB LYS 3 0.723 -6.687 -2.652 18 HB3 LYS 3 3HB LYS 3 1.550 -8.228 -2.459 19 HG2 LYS 3 2HG LYS 3 0.501 -7.130 0.037 20 HG3 LYS 3 3HG LYS 3 -0.735 -7.486 -1.172 21 HD2 LYS 3 2HD LYS 3 0.654 -9.731 -1.393 22 HD3 LYS 3 3HD LYS 3 1.116 -9.321 0.261 23 HE2 LYS 3 2HE LYS 3 -0.898 -9.862 1.066 24 HE3 LYS 3 3HE LYS 3 -1.737 -9.012 -0.231 25 HZ1 LYS 3 3HZ LYS 3 -2.298 -11.270 -0.449 26 HZ2 LYS 3 1HZ LYS 3 -0.699 -11.785 -0.251 27 HZ3 LYS 3 2HZ LYS 3 -1.158 -10.978 -1.665 28 H ASN 4 H ASN 4 3.858 -7.607 -3.321 29 HA ASN 4 HA ASN 4 6.146 -8.442 -1.951 30 HB2 ASN 4 2HB ASN 4 3.922 -10.141 -1.488 31 HB3 ASN 4 3HB ASN 4 5.021 -11.007 -2.558 32 HD21 ASN 4 1HD2 ASN 4 4.453 -9.853 0.606 33 HD22 ASN 4 2HD2 ASN 4 5.897 -10.462 1.333 34 H GLU 5 H GLU 5 7.626 -9.616 -3.294 35 HA GLU 5 HA GLU 5 7.586 -8.884 -5.976 36 HB2 GLU 5 2HB GLU 5 9.105 -11.165 -4.698 37 HB3 GLU 5 3HB GLU 5 9.464 -10.450 -6.263 38 HG2 GLU 5 2HG GLU 5 10.475 -8.653 -5.366 39 HG3 GLU 5 3HG GLU 5 9.366 -8.575 -3.999 40 H ARG 6 H ARG 6 6.188 -11.623 -4.386 41 HA ARG 6 HA ARG 6 4.553 -12.322 -6.541 42 HB2 ARG 6 2HB ARG 6 7.202 -13.368 -6.750 43 HB3 ARG 6 3HB ARG 6 6.104 -14.703 -6.429 44 HG2 ARG 6 2HG ARG 6 4.730 -14.025 -8.338 45 HG3 ARG 6 3HG ARG 6 5.851 -12.703 -8.665 46 HD2 ARG 6 2HD ARG 6 6.638 -14.300 -10.112 47 HD3 ARG 6 3HD ARG 6 7.629 -14.626 -8.691 48 HE ARG 6 HE ARG 6 5.195 -16.154 -8.785 49 HH11 ARG 6 1HH1 ARG 6 8.525 -16.003 -9.787 50 HH12 ARG 6 2HH1 ARG 6 8.680 -17.717 -9.984 51 HH21 ARG 6 1HH2 ARG 6 5.385 -18.412 -9.041 52 HH22 ARG 6 2HH2 ARG 6 6.893 -19.087 -9.560 53 H ASP 7 H ASP 7 2.839 -13.020 -5.467 54 HA ASP 7 HA ASP 7 3.253 -14.800 -3.154 55 HB2 ASP 7 2HB ASP 7 2.222 -12.381 -2.890 56 HB3 ASP 7 3HB ASP 7 0.754 -13.184 -3.442 57 H THR 8 H THR 8 2.909 -15.480 -6.007 58 HA THR 8 HA THR 8 1.722 -16.891 -7.355 59 HB THR 8 HB THR 8 1.018 -18.931 -6.383 60 HG1 THR 8 HG1 THR 8 0.004 -19.002 -4.520 61 HG21 THR 8 3HG2 THR 8 2.842 -19.530 -4.914 62 HG22 THR 8 1HG2 THR 8 3.136 -17.834 -4.531 63 HG23 THR 8 2HG2 THR 8 3.440 -18.436 -6.161 64 H SER 9 H SER 9 0.375 -14.518 -6.949 65 HA SER 9 HA SER 9 -2.324 -15.326 -7.494 66 HB2 SER 9 2HB SER 9 -1.616 -14.463 -4.820 67 HB3 SER 9 3HB SER 9 -2.791 -13.366 -5.546 68 HG SER 9 HG SER 9 -3.349 -15.601 -4.422 69 H PHE 10 H PHE 10 -0.380 -12.505 -6.510 70 HA PHE 10 HA PHE 10 -1.633 -10.978 -8.688 71 HB2 PHE 10 2HB PHE 10 -1.970 -9.897 -6.577 72 HB3 PHE 10 3HB PHE 10 -0.272 -10.080 -6.146 73 HD1 PHE 10 HD2 PHE 10 -1.818 -8.873 -9.306 74 HD2 PHE 10 HD1 PHE 10 0.540 -7.931 -5.891 75 HE1 PHE 10 HE2 PHE 10 -1.345 -6.652 -10.251 76 HE2 PHE 10 HE1 PHE 10 1.017 -5.707 -6.829 77 HZ PHE 10 HZ PHE 10 0.075 -5.065 -9.013 78 H ASN 11 H ASN 11 -0.465 -10.744 -10.465 79 HA ASN 11 HA ASN 11 2.459 -10.951 -10.283 80 HB2 ASN 11 2HB ASN 11 0.934 -12.420 -11.848 81 HB3 ASN 11 3HB ASN 11 0.985 -11.000 -12.888 82 HD21 ASN 11 1HD2 ASN 11 2.617 -10.843 -14.249 83 HD22 ASN 11 2HD2 ASN 11 4.100 -11.725 -14.158 84 H LYS 12 H LYS 12 2.580 -8.736 -9.509 85 HA LYS 12 HA LYS 12 1.649 -6.485 -10.825 86 HB2 LYS 12 2HB LYS 12 2.795 -6.565 -8.585 87 HB3 LYS 12 3HB LYS 12 4.326 -6.696 -9.440 88 HG2 LYS 12 2HG LYS 12 4.155 -4.529 -10.311 89 HG3 LYS 12 3HG LYS 12 2.435 -4.421 -9.931 90 HD2 LYS 12 2HD LYS 12 2.815 -3.844 -7.778 91 HD3 LYS 12 3HD LYS 12 4.225 -4.897 -7.637 92 HE2 LYS 12 2HE LYS 12 5.191 -2.810 -7.507 93 HE3 LYS 12 3HE LYS 12 5.334 -3.158 -9.229 94 HZ1 LYS 12 3HZ LYS 12 4.403 -0.884 -8.417 95 HZ2 LYS 12 1HZ LYS 12 2.953 -1.742 -8.259 96 HZ3 LYS 12 2HZ LYS 12 3.720 -1.648 -9.763 97 H ASN 13 H ASN 13 4.423 -8.504 -11.542 98 HA ASN 13 HA ASN 13 5.800 -6.834 -13.297 99 HB2 ASN 13 2HB ASN 13 6.005 -9.493 -12.446 100 HB3 ASN 13 3HB ASN 13 5.840 -9.590 -14.197 101 HD21 ASN 13 1HD2 ASN 13 7.251 -7.989 -15.404 102 HD22 ASN 13 2HD2 ASN 13 8.875 -7.826 -14.839 103 H GLY 14 H GLY 14 3.095 -9.041 -13.895 104 HA2 GLY 14 2HA GLY 14 3.033 -8.778 -16.699 105 HA3 GLY 14 3HA GLY 14 1.679 -9.261 -15.688 106 H CYS 15 H CYS 15 1.516 -6.875 -14.140 107 HA CYS 15 HA CYS 15 -0.097 -5.309 -15.874 108 HB2 CYS 15 2HB CYS 15 0.907 -4.529 -13.133 109 HB3 CYS 15 3HB CYS 15 -0.524 -3.921 -13.956 110 HG CYS 15 HG CYS 15 -1.166 -6.993 -13.917 111 H LEU 16 H LEU 16 3.126 -4.889 -14.499 112 HA LEU 16 HA LEU 16 3.524 -2.235 -15.383 113 HB2 LEU 16 2HB LEU 16 4.912 -3.118 -13.657 114 HB3 LEU 16 3HB LEU 16 5.448 -4.443 -14.688 115 HG LEU 16 HG LEU 16 6.516 -2.639 -16.152 116 HD11 LEU 16 1HD1 LEU 16 5.687 -1.049 -13.766 117 HD12 LEU 16 2HD1 LEU 16 5.639 -0.621 -15.476 118 HD13 LEU 16 3HD1 LEU 16 7.179 -0.645 -14.615 119 HD21 LEU 16 3HD2 LEU 16 8.374 -3.389 -15.199 120 HD22 LEU 16 1HD2 LEU 16 7.406 -4.031 -13.873 121 HD23 LEU 16 2HD2 LEU 16 8.077 -2.404 -13.766 122 H VAL 17 H VAL 17 4.411 -5.371 -16.793 123 HA VAL 17 HA VAL 17 5.690 -4.292 -19.083 124 HB VAL 17 HB VAL 17 5.534 -6.549 -20.025 125 HG11 VAL 17 1HG1 VAL 17 7.386 -6.656 -18.760 126 HG12 VAL 17 2HG1 VAL 17 6.582 -5.971 -17.346 127 HG13 VAL 17 3HG1 VAL 17 6.407 -7.687 -17.717 128 HG21 VAL 17 3HG2 VAL 17 3.790 -7.114 -17.630 129 HG22 VAL 17 1HG2 VAL 17 3.312 -7.165 -19.326 130 HG23 VAL 17 2HG2 VAL 17 4.460 -8.347 -18.698 131 H PHE 18 H PHE 18 2.381 -5.247 -18.374 132 HA PHE 18 HA PHE 18 1.392 -5.169 -21.012 133 HB2 PHE 18 2HB PHE 18 0.146 -6.248 -19.218 134 HB3 PHE 18 3HB PHE 18 -0.036 -4.707 -18.386 135 HD1 PHE 18 HD1 PHE 18 -1.501 -2.960 -19.325 136 HD2 PHE 18 HD2 PHE 18 -1.268 -6.855 -21.025 137 HE1 PHE 18 HE1 PHE 18 -3.603 -2.553 -20.536 138 HE2 PHE 18 HE2 PHE 18 -3.369 -6.454 -22.240 139 HZ PHE 18 HZ PHE 18 -4.540 -4.301 -21.997 140 H VAL 19 H VAL 19 1.041 -2.754 -18.408 141 HA VAL 19 HA VAL 19 -0.063 -0.741 -20.016 142 HB VAL 19 HB VAL 19 0.607 0.827 -18.225 143 HG11 VAL 19 1HG1 VAL 19 -1.289 -1.087 -18.135 144 HG12 VAL 19 2HG1 VAL 19 -0.375 -1.480 -16.677 145 HG13 VAL 19 3HG1 VAL 19 -1.065 0.131 -16.880 146 HG21 VAL 19 3HG2 VAL 19 2.310 -1.475 -17.459 147 HG22 VAL 19 1HG2 VAL 19 2.620 0.257 -17.337 148 HG23 VAL 19 2HG2 VAL 19 1.580 -0.539 -16.155 149 H SER 20 H SER 20 3.282 -1.533 -19.237 150 HA SER 20 HA SER 20 4.492 0.766 -20.301 151 HB2 SER 20 2HB SER 20 5.695 -0.821 -18.863 152 HB3 SER 20 3HB SER 20 5.596 -2.049 -20.124 153 HG SER 20 HG SER 20 6.991 0.418 -20.224 154 H ARG 21 H ARG 21 3.880 -2.410 -21.784 155 HA ARG 21 HA ARG 21 4.902 -1.686 -24.332 156 HB2 ARG 21 2HB ARG 21 3.060 -3.916 -23.462 157 HB3 ARG 21 3HB ARG 21 3.679 -3.749 -25.100 158 HG2 ARG 21 2HG ARG 21 5.546 -3.864 -22.766 159 HG3 ARG 21 3HG ARG 21 4.877 -5.337 -23.470 160 HD2 ARG 21 2HD ARG 21 5.925 -4.973 -25.524 161 HD3 ARG 21 3HD ARG 21 6.200 -3.265 -25.183 162 HE ARG 21 HE ARG 21 7.855 -5.484 -24.390 163 HH11 ARG 21 1HH1 ARG 21 6.967 -2.180 -23.748 164 HH12 ARG 21 2HH1 ARG 21 8.457 -1.798 -22.951 165 HH21 ARG 21 1HH2 ARG 21 9.821 -4.993 -23.342 166 HH22 ARG 21 2HH2 ARG 21 10.080 -3.398 -22.721 167 H LEU 22 H LEU 22 1.684 -1.656 -22.894 168 HA LEU 22 HA LEU 22 0.193 -1.143 -25.205 169 HB2 LEU 22 2HB LEU 22 -1.176 -1.654 -23.467 170 HB3 LEU 22 3HB LEU 22 -0.195 -0.777 -22.295 171 HG LEU 22 HG LEU 22 -1.725 0.823 -24.275 172 HD11 LEU 22 1HD1 LEU 22 -2.972 -0.704 -22.002 173 HD12 LEU 22 2HD1 LEU 22 -3.430 -0.722 -23.705 174 HD13 LEU 22 3HD1 LEU 22 -3.706 0.724 -22.733 175 HD21 LEU 22 3HD2 LEU 22 -2.064 1.807 -21.714 176 HD22 LEU 22 1HD2 LEU 22 -0.882 2.360 -22.900 177 HD23 LEU 22 2HD2 LEU 22 -0.427 1.150 -21.700 178 H TRP 23 H TRP 23 1.833 1.056 -22.975 179 HA TRP 23 HA TRP 23 0.887 3.463 -24.074 180 HB2 TRP 23 2HB TRP 23 3.332 2.747 -22.474 181 HB3 TRP 23 3HB TRP 23 3.077 4.388 -23.059 182 HD1 TRP 23 HD1 TRP 23 -0.118 4.448 -22.510 183 HE1 TRP 23 HE1 TRP 23 -0.931 4.680 -20.079 184 HE3 TRP 23 HE3 TRP 23 4.092 2.850 -20.090 185 HZ2 TRP 23 HZ2 TRP 23 0.079 4.245 -17.480 186 HZ3 TRP 23 HZ3 TRP 23 4.087 2.788 -17.630 187 HH2 TRP 23 HH2 TRP 23 2.121 3.472 -16.354 188 H ASP 24 H ASP 24 3.603 1.395 -24.921 189 HA ASP 24 HA ASP 24 4.805 3.204 -26.756 190 HB2 ASP 24 2HB ASP 24 5.179 0.405 -25.937 191 HB3 ASP 24 3HB ASP 24 5.606 0.731 -27.615 192 H LEU 25 H LEU 25 2.671 0.391 -27.185 193 HA LEU 25 HA LEU 25 2.510 0.460 -29.969 194 HB2 LEU 25 2HB LEU 25 1.673 -1.458 -28.952 195 HB3 LEU 25 3HB LEU 25 0.685 -0.540 -27.818 196 HG LEU 25 HG LEU 25 -0.003 -0.357 -30.701 197 HD11 LEU 25 1HD1 LEU 25 0.360 -2.713 -30.538 198 HD12 LEU 25 2HD1 LEU 25 -1.379 -2.424 -30.481 199 HD13 LEU 25 3HD1 LEU 25 -0.498 -2.792 -28.999 200 HD21 LEU 25 3HD2 LEU 25 -1.621 0.781 -29.661 201 HD22 LEU 25 1HD2 LEU 25 -1.232 0.077 -28.091 202 HD23 LEU 25 2HD2 LEU 25 -2.267 -0.800 -29.218 203 H ASP 26 H ASP 26 0.323 1.919 -27.566 204 HA ASP 26 HA ASP 26 -1.246 3.257 -29.545 205 HB2 ASP 26 2HB ASP 26 -1.070 3.647 -26.551 206 HB3 ASP 26 3HB ASP 26 -2.262 4.421 -27.591 207 H LYS 27 H LYS 27 0.167 4.487 -30.791 208 HA LYS 27 HA LYS 27 2.153 6.201 -29.925 209 HB2 LYS 27 2HB LYS 27 1.407 5.532 -32.327 210 HB3 LYS 27 3HB LYS 27 0.375 6.953 -32.224 211 HG2 LYS 27 2HG LYS 27 3.229 7.300 -31.519 212 HG3 LYS 27 3HG LYS 27 2.836 7.034 -33.219 213 HD2 LYS 27 2HD LYS 27 1.138 8.889 -32.990 214 HD3 LYS 27 3HD LYS 27 1.850 9.233 -31.412 215 HE2 LYS 27 2HE LYS 27 3.113 10.654 -32.644 216 HE3 LYS 27 3HE LYS 27 4.079 9.199 -32.885 217 HZ1 LYS 27 3HZ LYS 27 3.249 8.903 -35.012 218 HZ2 LYS 27 1HZ LYS 27 3.428 10.583 -34.920 219 HZ3 LYS 27 2HZ LYS 27 1.897 9.884 -34.748 220 H LEU 28 H LEU 28 -1.319 6.719 -30.067 221 HA LEU 28 HA LEU 28 -1.415 9.474 -29.698 222 HB2 LEU 28 2HB LEU 28 -3.444 8.470 -30.197 223 HB3 LEU 28 3HB LEU 28 -3.243 7.226 -28.965 224 HG LEU 28 HG LEU 28 -3.468 9.936 -27.882 225 HD11 LEU 28 1HD1 LEU 28 -4.970 9.969 -29.926 226 HD12 LEU 28 2HD1 LEU 28 -5.732 10.332 -28.378 227 HD13 LEU 28 3HD1 LEU 28 -5.936 8.740 -29.108 228 HD21 LEU 28 3HD2 LEU 28 -4.600 8.869 -26.193 229 HD22 LEU 28 1HD2 LEU 28 -3.582 7.558 -26.789 230 HD23 LEU 28 2HD2 LEU 28 -5.277 7.646 -27.269 231 H GLY 29 H GLY 29 -0.695 6.920 -27.442 232 HA2 GLY 29 2HA GLY 29 0.239 7.047 -25.336 233 HA3 GLY 29 3HA GLY 29 0.304 8.793 -25.523 234 H MET 30 H MET 30 -0.634 6.839 -23.346 235 HA MET 30 HA MET 30 -2.179 6.857 -21.678 236 HB2 MET 30 2HB MET 30 -1.780 9.431 -22.154 237 HB3 MET 30 3HB MET 30 -3.443 9.351 -22.719 238 HG2 MET 30 2HG MET 30 -4.269 9.192 -20.651 239 HG3 MET 30 3HG MET 30 -3.009 8.075 -20.130 240 HE1 MET 30 3HE MET 30 -1.215 9.389 -17.902 241 HE2 MET 30 1HE MET 30 -2.629 10.297 -17.364 242 HE3 MET 30 2HE MET 30 -2.828 8.693 -18.071 243 H PHE 31 H PHE 31 -2.763 5.549 -24.181 244 HA PHE 31 HA PHE 31 -5.626 5.949 -24.563 245 HB2 PHE 31 2HB PHE 31 -4.213 5.677 -26.554 246 HB3 PHE 31 3HB PHE 31 -3.698 4.095 -25.977 247 HD1 PHE 31 HD1 PHE 31 -5.189 2.191 -26.065 248 HD2 PHE 31 HD2 PHE 31 -6.416 6.014 -27.478 249 HE1 PHE 31 HE1 PHE 31 -7.095 1.148 -27.220 250 HE2 PHE 31 HE2 PHE 31 -8.324 4.978 -28.635 251 HZ PHE 31 HZ PHE 31 -8.666 2.542 -28.506 252 H HIS 32 H HIS 32 -7.043 4.856 -23.391 253 HA HIS 32 HA HIS 32 -6.812 2.046 -22.943 254 HB2 HIS 32 2HB HIS 32 -6.993 2.377 -20.372 255 HB3 HIS 32 3HB HIS 32 -5.405 2.459 -21.130 256 HD1 HIS 32 HD1 HIS 32 -8.149 4.958 -20.249 257 HD2 HIS 32 HD2 HIS 32 -4.011 4.590 -20.253 258 HE1 HIS 32 HE1 HIS 32 -7.282 7.114 -19.290 259 H HIS 33 H HIS 33 -8.798 2.742 -24.228 260 HA HIS 33 HA HIS 33 -11.068 2.654 -22.433 261 HB2 HIS 33 2HB HIS 33 -12.201 4.538 -23.735 262 HB3 HIS 33 3HB HIS 33 -10.962 5.010 -22.576 263 HD1 HIS 33 HD1 HIS 33 -8.935 6.230 -23.466 264 HD2 HIS 33 HD2 HIS 33 -11.401 4.769 -26.474 265 HE1 HIS 33 HE1 HIS 33 -8.071 7.248 -25.597 266 HA PRO 34 HA PRO 34 -12.762 0.118 -25.588 267 HB2 PRO 34 2HB PRO 34 -15.420 0.582 -25.287 268 HB3 PRO 34 3HB PRO 34 -14.472 -0.358 -24.129 269 HG2 PRO 34 2HG PRO 34 -15.329 2.507 -23.992 270 HG3 PRO 34 3HG PRO 34 -15.334 1.275 -22.716 271 HD2 PRO 34 2HD PRO 34 -13.399 3.160 -22.916 272 HD3 PRO 34 3HD PRO 34 -13.083 1.529 -22.290 273 H VAL 35 H VAL 35 -13.483 0.152 -27.697 274 HA VAL 35 HA VAL 35 -13.394 2.666 -29.050 275 HB VAL 35 HB VAL 35 -12.565 0.521 -30.030 276 HG11 VAL 35 1HG1 VAL 35 -13.947 -1.186 -30.699 277 HG12 VAL 35 2HG1 VAL 35 -14.777 -0.649 -29.237 278 HG13 VAL 35 3HG1 VAL 35 -15.361 -0.140 -30.822 279 HG21 VAL 35 3HG2 VAL 35 -13.064 1.128 -32.235 280 HG22 VAL 35 1HG2 VAL 35 -14.670 1.715 -31.805 281 HG23 VAL 35 2HG2 VAL 35 -13.240 2.629 -31.325 282 H SER 36 H SER 36 -15.023 3.759 -30.125 283 HA SER 36 HA SER 36 -17.647 3.490 -28.983 284 HB2 SER 36 2HB SER 36 -17.924 5.347 -30.980 285 HB3 SER 36 3HB SER 36 -17.406 5.711 -29.334 286 HG SER 36 HG SER 36 -16.054 6.112 -31.534 287 H ALA 37 H ALA 37 -19.504 2.792 -29.943 288 HA ALA 37 HA ALA 37 -19.308 0.890 -32.020 289 HB1 ALA 37 1HB ALA 37 -21.516 0.433 -31.626 290 HB2 ALA 37 2HB ALA 37 -21.082 1.213 -30.105 291 HB3 ALA 37 3HB ALA 37 -21.933 2.125 -31.352 292 H GLU 38 H GLU 38 -20.220 4.283 -31.965 293 HA GLU 38 HA GLU 38 -21.442 4.567 -34.421 294 HB2 GLU 38 2HB GLU 38 -19.458 6.535 -33.275 295 HB3 GLU 38 3HB GLU 38 -20.798 6.882 -34.359 296 HG2 GLU 38 2HG GLU 38 -22.266 5.932 -32.450 297 HG3 GLU 38 3HG GLU 38 -20.847 6.227 -31.447 298 H GLU 39 H GLU 39 -17.980 4.486 -33.685 299 HA GLU 39 HA GLU 39 -17.327 4.686 -36.520 300 HB2 GLU 39 2HB GLU 39 -16.076 5.828 -34.518 301 HB3 GLU 39 3HB GLU 39 -15.287 4.264 -34.369 302 HG2 GLU 39 2HG GLU 39 -14.083 4.532 -36.257 303 HG3 GLU 39 3HG GLU 39 -15.356 5.440 -37.072 304 H LEU 40 H LEU 40 -17.529 2.341 -33.973 305 HA LEU 40 HA LEU 40 -16.506 0.285 -35.821 306 HB2 LEU 40 2HB LEU 40 -16.002 0.773 -32.958 307 HB3 LEU 40 3HB LEU 40 -16.278 -0.908 -33.411 308 HG LEU 40 HG LEU 40 -13.891 -0.328 -33.325 309 HD11 LEU 40 1HD1 LEU 40 -15.293 -1.560 -35.489 310 HD12 LEU 40 2HD1 LEU 40 -13.714 -1.960 -34.812 311 HD13 LEU 40 3HD1 LEU 40 -13.843 -0.766 -36.104 312 HD21 LEU 40 3HD2 LEU 40 -12.916 1.179 -34.935 313 HD22 LEU 40 1HD2 LEU 40 -14.142 2.037 -34.001 314 HD23 LEU 40 2HD2 LEU 40 -14.499 1.502 -35.644 315 HA PRO 41 HA PRO 41 -20.957 -0.640 -35.075 316 HB2 PRO 41 2HB PRO 41 -21.412 -1.529 -37.600 317 HB3 PRO 41 3HB PRO 41 -21.491 0.179 -37.154 318 HG2 PRO 41 2HG PRO 41 -19.267 -1.335 -38.467 319 HG3 PRO 41 3HG PRO 41 -19.903 0.275 -38.850 320 HD2 PRO 41 2HD PRO 41 -17.636 -0.093 -37.414 321 HD3 PRO 41 3HD PRO 41 -18.724 1.284 -37.145 322 H ASP 42 H ASP 42 -18.199 -2.425 -36.091 323 HA ASP 42 HA ASP 42 -19.606 -4.961 -35.566 324 HB2 ASP 42 2HB ASP 42 -18.009 -6.078 -36.970 325 HB3 ASP 42 3HB ASP 42 -18.626 -4.688 -37.859 326 H TYR 43 H TYR 43 -18.301 -3.016 -33.680 327 HA TYR 43 HA TYR 43 -15.870 -3.885 -32.708 328 HB2 TYR 43 2HB TYR 43 -16.422 -2.806 -30.654 329 HB3 TYR 43 3HB TYR 43 -17.202 -1.883 -31.934 330 HD1 TYR 43 HD1 TYR 43 -19.685 -2.375 -32.389 331 HD2 TYR 43 HD2 TYR 43 -17.669 -3.599 -28.848 332 HE1 TYR 43 HE1 TYR 43 -21.850 -2.610 -31.245 333 HE2 TYR 43 HE2 TYR 43 -19.828 -3.839 -27.695 334 HH TYR 43 HH TYR 43 -22.298 -2.640 -28.147 335 H HIS 44 H HIS 44 -19.047 -5.291 -32.290 336 HA HIS 44 HA HIS 44 -18.419 -7.060 -30.181 337 HB2 HIS 44 2HB HIS 44 -20.664 -6.521 -31.881 338 HB3 HIS 44 3HB HIS 44 -20.396 -8.261 -31.817 339 HD1 HIS 44 HD1 HIS 44 -19.857 -8.968 -29.068 340 HD2 HIS 44 HD2 HIS 44 -22.413 -5.817 -29.962 341 HE1 HIS 44 HE1 HIS 44 -21.283 -8.657 -27.020 342 H THR 45 H THR 45 -18.051 -7.265 -33.660 343 HA THR 45 HA THR 45 -17.269 -10.057 -33.562 344 HB THR 45 HB THR 45 -16.894 -8.363 -35.999 345 HG1 THR 45 HG1 THR 45 -18.960 -7.779 -35.384 346 HG21 THR 45 3HG2 THR 45 -16.224 -10.688 -36.106 347 HG22 THR 45 1HG2 THR 45 -17.657 -10.444 -37.104 348 HG23 THR 45 2HG2 THR 45 -17.805 -11.202 -35.518 349 H VAL 46 H VAL 46 -15.756 -6.918 -34.227 350 HA VAL 46 HA VAL 46 -13.163 -7.967 -34.720 351 HB VAL 46 HB VAL 46 -13.973 -5.182 -33.871 352 HG11 VAL 46 1HG1 VAL 46 -11.805 -4.487 -34.759 353 HG12 VAL 46 2HG1 VAL 46 -11.612 -5.628 -33.427 354 HG13 VAL 46 3HG1 VAL 46 -11.396 -6.169 -35.092 355 HG21 VAL 46 3HG2 VAL 46 -14.957 -6.063 -36.013 356 HG22 VAL 46 1HG2 VAL 46 -13.975 -4.607 -36.177 357 HG23 VAL 46 2HG2 VAL 46 -13.311 -6.175 -36.637 358 H ILE 47 H ILE 47 -14.560 -6.308 -31.891 359 HA ILE 47 HA ILE 47 -12.460 -7.564 -30.246 360 HB ILE 47 HB ILE 47 -13.786 -4.895 -29.754 361 HG12 ILE 47 2HG1 ILE 47 -12.171 -4.908 -31.652 362 HG13 ILE 47 3HG1 ILE 47 -11.651 -3.898 -30.308 363 HG21 ILE 47 1HG2 ILE 47 -13.190 -5.271 -27.638 364 HG22 ILE 47 2HG2 ILE 47 -12.232 -6.684 -28.076 365 HG23 ILE 47 3HG2 ILE 47 -11.525 -5.072 -28.183 366 HD11 ILE 47 3HD1 ILE 47 -9.811 -5.187 -31.254 367 HD12 ILE 47 1HD1 ILE 47 -10.122 -5.630 -29.575 368 HD13 ILE 47 2HD1 ILE 47 -10.668 -6.683 -30.880 369 H LYS 48 H LYS 48 -14.064 -9.329 -30.105 370 HA LYS 48 HA LYS 48 -16.595 -9.144 -29.016 371 HB2 LYS 48 2HB LYS 48 -15.018 -11.195 -29.816 372 HB3 LYS 48 3HB LYS 48 -14.966 -11.426 -28.073 373 HG2 LYS 48 2HG LYS 48 -17.656 -10.970 -28.702 374 HG3 LYS 48 3HG LYS 48 -17.046 -12.076 -29.934 375 HD2 LYS 48 2HD LYS 48 -16.458 -12.549 -27.035 376 HD3 LYS 48 3HD LYS 48 -18.002 -13.046 -27.731 377 HE2 LYS 48 2HE LYS 48 -15.882 -13.870 -29.459 378 HE3 LYS 48 3HE LYS 48 -15.525 -14.401 -27.817 379 HZ1 LYS 48 3HZ LYS 48 -17.263 -15.818 -27.799 380 HZ2 LYS 48 1HZ LYS 48 -17.047 -15.783 -29.476 381 HZ3 LYS 48 2HZ LYS 48 -18.245 -14.830 -28.758 382 H ARG 49 H ARG 49 -13.501 -8.871 -27.448 383 HA ARG 49 HA ARG 49 -14.890 -8.435 -24.888 384 HB2 ARG 49 2HB ARG 49 -12.815 -10.330 -25.515 385 HB3 ARG 49 3HB ARG 49 -12.231 -9.179 -24.321 386 HG2 ARG 49 2HG ARG 49 -14.894 -10.090 -23.681 387 HG3 ARG 49 3HG ARG 49 -13.769 -11.439 -23.855 388 HD2 ARG 49 2HD ARG 49 -12.503 -10.794 -22.072 389 HD3 ARG 49 3HD ARG 49 -12.858 -9.082 -22.301 390 HE ARG 49 HE ARG 49 -15.184 -10.481 -21.496 391 HH11 ARG 49 1HH1 ARG 49 -12.157 -9.260 -20.285 392 HH12 ARG 49 2HH1 ARG 49 -12.736 -9.061 -18.665 393 HH21 ARG 49 1HH2 ARG 49 -15.958 -10.224 -19.366 394 HH22 ARG 49 2HH2 ARG 49 -14.898 -9.610 -18.142 395 HA PRO 50 HA PRO 50 -12.802 -4.503 -25.827 396 HB2 PRO 50 2HB PRO 50 -14.479 -3.014 -24.298 397 HB3 PRO 50 3HB PRO 50 -14.871 -3.511 -25.948 398 HG2 PRO 50 2HG PRO 50 -15.746 -4.713 -23.350 399 HG3 PRO 50 3HG PRO 50 -16.696 -4.399 -24.814 400 HD2 PRO 50 2HD PRO 50 -15.738 -6.856 -24.199 401 HD3 PRO 50 3HD PRO 50 -15.926 -6.295 -25.873 402 H VAL 51 H VAL 51 -11.651 -3.001 -24.489 403 HA VAL 51 HA VAL 51 -11.267 -3.863 -21.702 404 HB VAL 51 HB VAL 51 -9.402 -4.746 -23.003 405 HG11 VAL 51 1HG1 VAL 51 -7.941 -3.402 -24.295 406 HG12 VAL 51 2HG1 VAL 51 -9.579 -2.981 -24.800 407 HG13 VAL 51 3HG1 VAL 51 -8.686 -1.912 -23.717 408 HG21 VAL 51 3HG2 VAL 51 -9.227 -3.354 -20.683 409 HG22 VAL 51 1HG2 VAL 51 -7.893 -4.250 -21.409 410 HG23 VAL 51 2HG2 VAL 51 -8.033 -2.512 -21.670 411 H ASP 52 H ASP 52 -11.286 -2.261 -20.251 412 HA ASP 52 HA ASP 52 -10.905 0.498 -21.202 413 HB2 ASP 52 2HB ASP 52 -12.836 0.009 -18.989 414 HB3 ASP 52 3HB ASP 52 -12.836 1.263 -20.226 415 H LEU 53 H LEU 53 -10.171 2.002 -19.600 416 HA LEU 53 HA LEU 53 -8.128 1.006 -17.958 417 HB2 LEU 53 2HB LEU 53 -8.486 3.361 -18.957 418 HB3 LEU 53 3HB LEU 53 -9.430 3.665 -17.499 419 HG LEU 53 HG LEU 53 -7.115 4.508 -17.355 420 HD11 LEU 53 1HD1 LEU 53 -8.574 3.314 -15.434 421 HD12 LEU 53 2HD1 LEU 53 -7.007 4.071 -15.148 422 HD13 LEU 53 3HD1 LEU 53 -7.114 2.326 -15.376 423 HD21 LEU 53 3HD2 LEU 53 -5.382 3.295 -18.022 424 HD22 LEU 53 1HD2 LEU 53 -6.492 2.004 -18.485 425 HD23 LEU 53 2HD2 LEU 53 -5.787 2.023 -16.868 426 H SER 54 H SER 54 -11.402 2.117 -17.184 427 HA SER 54 HA SER 54 -11.159 1.835 -14.379 428 HB2 SER 54 2HB SER 54 -12.922 3.185 -15.530 429 HB3 SER 54 3HB SER 54 -13.691 1.680 -16.032 430 HG SER 54 HG SER 54 -14.593 2.544 -14.098 431 H SER 55 H SER 55 -12.129 -0.358 -16.948 432 HA SER 55 HA SER 55 -13.087 -2.417 -15.224 433 HB2 SER 55 2HB SER 55 -12.642 -2.061 -18.110 434 HB3 SER 55 3HB SER 55 -12.414 -3.715 -17.543 435 HG SER 55 HG SER 55 -14.509 -3.543 -16.568 436 H ILE 56 H ILE 56 -10.016 -1.811 -16.878 437 HA ILE 56 HA ILE 56 -8.779 -4.227 -16.014 438 HB ILE 56 HB ILE 56 -7.582 -1.654 -17.044 439 HG12 ILE 56 2HG1 ILE 56 -9.001 -2.937 -18.631 440 HG13 ILE 56 3HG1 ILE 56 -7.314 -2.869 -19.128 441 HG21 ILE 56 1HG2 ILE 56 -5.922 -2.746 -15.701 442 HG22 ILE 56 2HG2 ILE 56 -6.271 -4.302 -16.455 443 HG23 ILE 56 3HG2 ILE 56 -5.528 -3.011 -17.400 444 HD11 ILE 56 3HD1 ILE 56 -7.193 -5.073 -19.180 445 HD12 ILE 56 1HD1 ILE 56 -7.768 -5.193 -17.517 446 HD13 ILE 56 2HD1 ILE 56 -8.924 -5.131 -18.848 447 H ARG 57 H ARG 57 -8.534 -0.847 -14.926 448 HA ARG 57 HA ARG 57 -6.701 -1.280 -12.854 449 HB2 ARG 57 2HB ARG 57 -7.283 0.885 -12.061 450 HB3 ARG 57 3HB ARG 57 -7.421 0.942 -13.813 451 HG2 ARG 57 2HG ARG 57 -9.349 1.999 -13.256 452 HG3 ARG 57 3HG ARG 57 -9.937 0.336 -13.272 453 HD2 ARG 57 2HD ARG 57 -10.686 0.774 -11.209 454 HD3 ARG 57 3HD ARG 57 -9.003 0.592 -10.716 455 HE ARG 57 HE ARG 57 -8.913 2.845 -10.324 456 HH11 ARG 57 1HH1 ARG 57 -11.719 2.136 -12.258 457 HH12 ARG 57 2HH1 ARG 57 -12.363 3.740 -12.146 458 HH21 ARG 57 1HH2 ARG 57 -9.750 4.961 -10.169 459 HH22 ARG 57 2HH2 ARG 57 -11.242 5.347 -10.958 460 H ASP 58 H ASP 58 -10.216 -1.511 -12.934 461 HA ASP 58 HA ASP 58 -10.510 -1.909 -10.120 462 HB2 ASP 58 2HB ASP 58 -12.349 -1.030 -11.478 463 HB3 ASP 58 3HB ASP 58 -12.407 -2.535 -12.392 464 H GLY 59 H GLY 59 -10.064 -3.997 -12.900 465 HA2 GLY 59 2HA GLY 59 -10.769 -6.438 -11.649 466 HA3 GLY 59 3HA GLY 59 -9.769 -6.268 -13.085 467 H ILE 60 H ILE 60 -7.594 -4.921 -12.192 468 HA ILE 60 HA ILE 60 -6.130 -6.955 -10.869 469 HB ILE 60 HB ILE 60 -5.472 -4.138 -11.672 470 HG12 ILE 60 2HG1 ILE 60 -3.692 -5.525 -12.961 471 HG13 ILE 60 3HG1 ILE 60 -4.711 -6.905 -12.568 472 HG21 ILE 60 1HG2 ILE 60 -3.093 -4.750 -10.975 473 HG22 ILE 60 2HG2 ILE 60 -4.223 -4.303 -9.698 474 HG23 ILE 60 3HG2 ILE 60 -3.837 -6.001 -9.979 475 HD11 ILE 60 3HD1 ILE 60 -6.575 -5.891 -13.730 476 HD12 ILE 60 1HD1 ILE 60 -5.605 -4.458 -14.072 477 HD13 ILE 60 2HD1 ILE 60 -5.173 -6.009 -14.793 478 H GLU 61 H GLU 61 -7.461 -3.856 -9.816 479 HA GLU 61 HA GLU 61 -6.288 -3.810 -7.258 480 HB2 GLU 61 2HB GLU 61 -8.542 -2.426 -8.598 481 HB3 GLU 61 3HB GLU 61 -8.558 -2.428 -6.840 482 HG2 GLU 61 2HG GLU 61 -7.486 -0.432 -7.743 483 HG3 GLU 61 3HG GLU 61 -6.369 -1.402 -6.785 484 H LYS 62 H LYS 62 -9.348 -5.138 -8.430 485 HA LYS 62 HA LYS 62 -10.183 -6.002 -5.817 486 HB2 LYS 62 2HB LYS 62 -11.249 -6.675 -8.565 487 HB3 LYS 62 3HB LYS 62 -12.017 -7.132 -7.050 488 HG2 LYS 62 2HG LYS 62 -11.449 -4.268 -7.735 489 HG3 LYS 62 3HG LYS 62 -12.922 -5.086 -8.262 490 HD2 LYS 62 2HD LYS 62 -12.029 -4.950 -5.387 491 HD3 LYS 62 3HD LYS 62 -13.128 -3.782 -6.123 492 HE2 LYS 62 2HE LYS 62 -14.154 -6.292 -6.794 493 HE3 LYS 62 3HE LYS 62 -13.665 -6.427 -5.105 494 HZ1 LYS 62 3HZ LYS 62 -15.701 -5.552 -4.780 495 HZ2 LYS 62 1HZ LYS 62 -15.773 -4.824 -6.305 496 HZ3 LYS 62 2HZ LYS 62 -14.905 -4.085 -5.055 497 H GLY 63 H GLY 63 -8.353 -7.331 -8.447 498 HA2 GLY 63 2HA GLY 63 -6.913 -9.183 -8.241 499 HA3 GLY 63 3HA GLY 63 -7.830 -9.712 -6.838 500 H THR 64 H THR 64 -9.413 -8.803 -9.806 501 HA THR 64 HA THR 64 -11.045 -10.967 -10.046 502 HB THR 64 HB THR 64 -9.795 -9.445 -12.342 503 HG1 THR 64 HG1 THR 64 -12.299 -9.060 -11.033 504 HG21 THR 64 3HG2 THR 64 -12.131 -10.122 -13.340 505 HG22 THR 64 1HG2 THR 64 -12.000 -11.451 -12.188 506 HG23 THR 64 2HG2 THR 64 -10.763 -11.232 -13.426 507 H TYR 65 H TYR 65 -7.698 -10.717 -11.096 508 HA TYR 65 HA TYR 65 -7.579 -13.070 -12.629 509 HB2 TYR 65 2HB TYR 65 -5.100 -12.956 -12.108 510 HB3 TYR 65 3HB TYR 65 -5.793 -11.516 -12.844 511 HD1 TYR 65 HD2 TYR 65 -5.148 -12.916 -9.435 512 HD2 TYR 65 HD1 TYR 65 -5.208 -9.477 -11.941 513 HE1 TYR 65 HE2 TYR 65 -4.274 -11.556 -7.581 514 HE2 TYR 65 HE1 TYR 65 -4.334 -8.109 -10.093 515 HH TYR 65 HH TYR 65 -4.462 -8.430 -7.344 516 H ALA 66 H ALA 66 -5.725 -14.747 -11.749 517 HA ALA 66 HA ALA 66 -6.571 -15.665 -9.090 518 HB1 ALA 66 1HB ALA 66 -7.785 -17.256 -10.093 519 HB2 ALA 66 2HB ALA 66 -6.994 -17.011 -11.651 520 HB3 ALA 66 3HB ALA 66 -6.231 -18.023 -10.424 521 H THR 67 H THR 67 -4.211 -15.815 -11.703 522 HA THR 67 HA THR 67 -2.017 -15.834 -9.903 523 HB THR 67 HB THR 67 -1.530 -18.241 -11.353 524 HG1 THR 67 HG1 THR 67 -3.354 -19.286 -11.177 525 HG21 THR 67 3HG2 THR 67 -1.633 -17.330 -8.527 526 HG22 THR 67 1HG2 THR 67 -0.314 -18.078 -9.426 527 HG23 THR 67 2HG2 THR 67 -1.644 -19.068 -8.825 528 H ASP 68 H ASP 68 0.011 -16.793 -11.385 529 HA ASP 68 HA ASP 68 0.427 -14.815 -13.318 530 HB2 ASP 68 2HB ASP 68 2.452 -16.026 -13.901 531 HB3 ASP 68 3HB ASP 68 2.241 -16.036 -12.152 532 H VAL 69 H VAL 69 -0.913 -18.030 -13.565 533 HA VAL 69 HA VAL 69 -0.721 -18.297 -16.382 534 HB VAL 69 HB VAL 69 -2.646 -19.602 -14.454 535 HG11 VAL 69 1HG1 VAL 69 -3.496 -19.678 -16.733 536 HG12 VAL 69 2HG1 VAL 69 -1.956 -20.328 -17.300 537 HG13 VAL 69 3HG1 VAL 69 -2.970 -21.278 -16.212 538 HG21 VAL 69 3HG2 VAL 69 0.127 -20.215 -15.345 539 HG22 VAL 69 1HG2 VAL 69 -0.619 -20.405 -13.758 540 HG23 VAL 69 2HG2 VAL 69 -0.976 -21.559 -15.043 541 H ASP 70 H ASP 70 -3.405 -17.321 -14.257 542 HA ASP 70 HA ASP 70 -5.275 -16.825 -16.287 543 HB2 ASP 70 2HB ASP 70 -5.063 -16.365 -13.430 544 HB3 ASP 70 3HB ASP 70 -5.866 -15.021 -14.237 545 H VAL 71 H VAL 71 -2.920 -14.692 -14.722 546 HA VAL 71 HA VAL 71 -3.705 -12.311 -16.006 547 HB VAL 71 HB VAL 71 -1.038 -13.128 -14.852 548 HG11 VAL 71 1HG1 VAL 71 -1.862 -10.700 -16.307 549 HG12 VAL 71 2HG1 VAL 71 -0.969 -10.438 -14.808 550 HG13 VAL 71 3HG1 VAL 71 -0.263 -11.412 -16.098 551 HG21 VAL 71 3HG2 VAL 71 -2.168 -12.848 -12.941 552 HG22 VAL 71 1HG2 VAL 71 -2.110 -11.124 -13.306 553 HG23 VAL 71 2HG2 VAL 71 -3.526 -12.074 -13.757 554 H GLN 72 H GLN 72 -1.269 -14.749 -16.842 555 HA GLN 72 HA GLN 72 -0.195 -13.449 -19.079 556 HB2 GLN 72 2HB GLN 72 0.974 -15.314 -18.151 557 HB3 GLN 72 3HB GLN 72 -0.410 -16.375 -18.377 558 HG2 GLN 72 2HG GLN 72 0.423 -15.213 -20.879 559 HG3 GLN 72 3HG GLN 72 1.757 -16.047 -20.083 560 HE21 GLN 72 1HE2 GLN 72 0.133 -16.673 -22.501 561 HE22 GLN 72 2HE2 GLN 72 -0.443 -18.281 -22.245 562 H ASN 73 H ASN 73 -2.827 -15.826 -18.844 563 HA ASN 73 HA ASN 73 -3.385 -15.999 -21.585 564 HB2 ASN 73 2HB ASN 73 -5.398 -16.287 -19.349 565 HB3 ASN 73 3HB ASN 73 -5.469 -17.019 -20.949 566 HD21 ASN 73 1HD2 ASN 73 -5.725 -18.544 -18.700 567 HD22 ASN 73 2HD2 ASN 73 -4.335 -19.555 -18.519 568 H ASP 74 H ASP 74 -4.733 -13.889 -19.074 569 HA ASP 74 HA ASP 74 -6.663 -12.604 -20.629 570 HB2 ASP 74 2HB ASP 74 -6.331 -12.467 -18.106 571 HB3 ASP 74 3HB ASP 74 -5.088 -11.263 -18.433 572 H VAL 75 H VAL 75 -3.297 -11.656 -19.970 573 HA VAL 75 HA VAL 75 -3.274 -9.303 -21.474 574 HB VAL 75 HB VAL 75 -0.967 -11.199 -21.014 575 HG11 VAL 75 1HG1 VAL 75 0.149 -9.805 -22.346 576 HG12 VAL 75 2HG1 VAL 75 -1.194 -8.662 -22.396 577 HG13 VAL 75 3HG1 VAL 75 -0.026 -8.595 -21.076 578 HG21 VAL 75 3HG2 VAL 75 -0.887 -10.526 -18.893 579 HG22 VAL 75 1HG2 VAL 75 -1.018 -8.832 -19.364 580 HG23 VAL 75 2HG2 VAL 75 -2.475 -9.799 -19.134 581 H ALA 76 H ALA 76 -2.501 -12.632 -22.422 582 HA ALA 76 HA ALA 76 -1.643 -12.127 -25.028 583 HB1 ALA 76 1HB ALA 76 -2.642 -14.537 -25.384 584 HB2 ALA 76 2HB ALA 76 -1.206 -14.280 -24.392 585 HB3 ALA 76 3HB ALA 76 -2.780 -14.492 -23.626 586 H ARG 77 H ARG 77 -4.907 -12.851 -23.818 587 HA ARG 77 HA ARG 77 -6.212 -12.826 -26.298 588 HB2 ARG 77 2HB ARG 77 -7.193 -13.687 -24.184 589 HB3 ARG 77 3HB ARG 77 -7.351 -12.031 -23.613 590 HG2 ARG 77 2HG ARG 77 -8.754 -11.638 -25.716 591 HG3 ARG 77 3HG ARG 77 -8.826 -13.397 -25.832 592 HD2 ARG 77 2HD ARG 77 -9.497 -13.118 -23.263 593 HD3 ARG 77 3HD ARG 77 -10.069 -11.563 -23.865 594 HE ARG 77 HE ARG 77 -11.067 -13.410 -25.621 595 HH11 ARG 77 1HH1 ARG 77 -11.257 -12.889 -22.185 596 HH12 ARG 77 2HH1 ARG 77 -12.836 -13.588 -22.034 597 HH21 ARG 77 1HH2 ARG 77 -13.145 -14.332 -25.437 598 HH22 ARG 77 2HH2 ARG 77 -13.909 -14.409 -23.885 599 H MET 78 H MET 78 -5.592 -10.225 -23.973 600 HA MET 78 HA MET 78 -7.045 -8.207 -25.257 601 HB2 MET 78 2HB MET 78 -4.525 -7.933 -23.609 602 HB3 MET 78 3HB MET 78 -5.652 -6.636 -23.985 603 HG2 MET 78 2HG MET 78 -6.761 -9.036 -22.663 604 HG3 MET 78 3HG MET 78 -5.714 -7.995 -21.701 605 HE1 MET 78 3HE MET 78 -9.442 -8.330 -21.435 606 HE2 MET 78 1HE MET 78 -7.968 -8.414 -20.470 607 HE3 MET 78 2HE MET 78 -9.049 -7.030 -20.308 608 H ILE 79 H ILE 79 -3.691 -9.260 -25.658 609 HA ILE 79 HA ILE 79 -2.915 -7.237 -27.463 610 HB ILE 79 HB ILE 79 -1.830 -10.043 -27.195 611 HG12 ILE 79 2HG1 ILE 79 -0.502 -7.599 -26.095 612 HG13 ILE 79 3HG1 ILE 79 -1.841 -8.311 -25.204 613 HG21 ILE 79 1HG2 ILE 79 -1.084 -9.226 -29.272 614 HG22 ILE 79 2HG2 ILE 79 -0.809 -7.608 -28.627 615 HG23 ILE 79 3HG2 ILE 79 0.248 -8.938 -28.152 616 HD11 ILE 79 3HD1 ILE 79 0.053 -9.274 -24.268 617 HD12 ILE 79 1HD1 ILE 79 -0.540 -10.505 -25.383 618 HD13 ILE 79 2HD1 ILE 79 0.832 -9.493 -25.835 619 H THR 80 H THR 80 -4.178 -10.511 -27.981 620 HA THR 80 HA THR 80 -3.992 -10.562 -30.771 621 HB THR 80 HB THR 80 -6.260 -11.893 -29.318 622 HG1 THR 80 HG1 THR 80 -3.613 -12.926 -29.418 623 HG21 THR 80 3HG2 THR 80 -4.453 -12.894 -31.517 624 HG22 THR 80 1HG2 THR 80 -5.994 -12.087 -31.803 625 HG23 THR 80 2HG2 THR 80 -5.951 -13.627 -30.944 626 H ASN 81 H ASN 81 -6.662 -9.520 -28.671 627 HA ASN 81 HA ASN 81 -8.481 -8.910 -30.728 628 HB2 ASN 81 2HB ASN 81 -8.256 -8.382 -27.840 629 HB3 ASN 81 3HB ASN 81 -9.183 -7.180 -28.731 630 HD21 ASN 81 1HD2 ASN 81 -10.821 -8.151 -27.208 631 HD22 ASN 81 2HD2 ASN 81 -11.740 -9.485 -27.808 632 H ALA 82 H ALA 82 -6.166 -6.865 -28.975 633 HA ALA 82 HA ALA 82 -6.790 -4.430 -30.185 634 HB1 ALA 82 1HB ALA 82 -5.099 -5.145 -28.241 635 HB2 ALA 82 2HB ALA 82 -3.945 -4.934 -29.559 636 HB3 ALA 82 3HB ALA 82 -4.996 -3.599 -29.084 637 H LEU 83 H LEU 83 -4.570 -6.989 -31.204 638 HA LEU 83 HA LEU 83 -3.501 -5.584 -33.424 639 HB2 LEU 83 2HB LEU 83 -2.173 -7.338 -32.739 640 HB3 LEU 83 3HB LEU 83 -3.542 -8.428 -32.527 641 HG LEU 83 HG LEU 83 -2.890 -7.573 -35.295 642 HD11 LEU 83 1HD1 LEU 83 -0.760 -8.267 -33.876 643 HD12 LEU 83 2HD1 LEU 83 -0.984 -8.784 -35.547 644 HD13 LEU 83 3HD1 LEU 83 -1.372 -9.884 -34.224 645 HD21 LEU 83 3HD2 LEU 83 -4.540 -9.465 -34.034 646 HD22 LEU 83 1HD2 LEU 83 -3.273 -10.377 -34.853 647 HD23 LEU 83 2HD2 LEU 83 -4.272 -9.244 -35.764 648 H GLU 84 H GLU 84 -6.233 -7.772 -33.014 649 HA GLU 84 HA GLU 84 -6.833 -8.127 -35.745 650 HB2 GLU 84 2HB GLU 84 -7.839 -9.648 -34.259 651 HB3 GLU 84 3HB GLU 84 -8.454 -8.366 -33.225 652 HG2 GLU 84 2HG GLU 84 -10.056 -7.726 -34.929 653 HG3 GLU 84 3HG GLU 84 -9.417 -8.959 -36.014 654 H TYR 85 H TYR 85 -7.644 -5.614 -33.447 655 HA TYR 85 HA TYR 85 -9.506 -4.339 -35.269 656 HB2 TYR 85 2HB TYR 85 -10.098 -4.195 -32.963 657 HB3 TYR 85 3HB TYR 85 -8.493 -3.625 -32.517 658 HD1 TYR 85 HD2 TYR 85 -10.710 -2.466 -35.275 659 HD2 TYR 85 HD1 TYR 85 -8.867 -1.532 -31.556 660 HE1 TYR 85 HE2 TYR 85 -11.484 -0.141 -35.483 661 HE2 TYR 85 HE1 TYR 85 -9.637 0.796 -31.752 662 HH TYR 85 HH TYR 85 -10.604 2.310 -33.079 663 H ASN 86 H ASN 86 -6.229 -3.875 -34.072 664 HA ASN 86 HA ASN 86 -5.901 -1.371 -35.481 665 HB2 ASN 86 2HB ASN 86 -4.774 -2.124 -33.251 666 HB3 ASN 86 3HB ASN 86 -3.633 -2.949 -34.308 667 HD21 ASN 86 1HD2 ASN 86 -2.039 -1.542 -33.391 668 HD22 ASN 86 2HD2 ASN 86 -1.859 0.067 -33.995 669 H ALA 87 H ALA 87 -6.063 -4.451 -36.505 670 HA ALA 87 HA ALA 87 -3.793 -4.702 -38.186 671 HB1 ALA 87 1HB ALA 87 -5.599 -6.279 -39.406 672 HB2 ALA 87 2HB ALA 87 -4.705 -6.753 -37.962 673 HB3 ALA 87 3HB ALA 87 -6.347 -6.127 -37.816 674 H LYS 88 H LYS 88 -3.470 -2.910 -39.451 675 HA LYS 88 HA LYS 88 -5.525 -2.398 -41.499 676 HB2 LYS 88 2HB LYS 88 -5.152 -0.573 -39.712 677 HB3 LYS 88 3HB LYS 88 -3.620 -0.283 -40.526 678 HG2 LYS 88 2HG LYS 88 -4.847 0.146 -42.620 679 HG3 LYS 88 3HG LYS 88 -6.365 -0.063 -41.743 680 HD2 LYS 88 2HD LYS 88 -6.063 1.885 -40.509 681 HD3 LYS 88 3HD LYS 88 -4.322 1.915 -40.800 682 HE2 LYS 88 2HE LYS 88 -5.542 2.045 -43.326 683 HE3 LYS 88 3HE LYS 88 -6.442 3.153 -42.292 684 HZ1 LYS 88 3HZ LYS 88 -4.276 3.900 -43.545 685 HZ2 LYS 88 1HZ LYS 88 -3.521 3.245 -42.180 686 HZ3 LYS 88 2HZ LYS 88 -4.647 4.494 -42.006 687 H GLY 89 H GLY 89 -2.094 -1.619 -40.870 688 HA2 GLY 89 2HA GLY 89 -0.656 -3.068 -42.503 689 HA3 GLY 89 3HA GLY 89 -1.531 -2.128 -43.703 690 H SER 90 H SER 90 -1.442 0.124 -41.572 691 HA SER 90 HA SER 90 0.791 1.472 -42.698 692 HB2 SER 90 2HB SER 90 -1.411 2.445 -41.700 693 HB3 SER 90 3HB SER 90 -0.551 2.366 -40.162 694 HG SER 90 HG SER 90 0.551 3.616 -42.447 695 H THR 91 H THR 91 2.022 2.819 -40.689 696 HA THR 91 HA THR 91 3.993 0.998 -39.831 697 HB THR 91 HB THR 91 3.512 3.729 -38.638 698 HG1 THR 91 HG1 THR 91 5.149 3.196 -40.893 699 HG21 THR 91 3HG2 THR 91 5.512 1.728 -38.281 700 HG22 THR 91 1HG2 THR 91 5.403 3.322 -37.535 701 HG23 THR 91 2HG2 THR 91 6.247 3.123 -39.071 702 H TRP 92 H TRP 92 1.063 2.152 -38.356 703 HA TRP 92 HA TRP 92 1.672 1.482 -35.675 704 HB2 TRP 92 2HB TRP 92 -0.782 2.148 -37.211 705 HB3 TRP 92 3HB TRP 92 -1.006 1.285 -35.692 706 HD1 TRP 92 HD1 TRP 92 -1.200 2.781 -33.628 707 HE1 TRP 92 HE1 TRP 92 -0.569 5.206 -33.040 708 HE3 TRP 92 HE3 TRP 92 1.209 4.064 -37.951 709 HZ2 TRP 92 HZ2 TRP 92 0.772 7.376 -34.249 710 HZ3 TRP 92 HZ3 TRP 92 2.137 6.333 -38.155 711 HH2 TRP 92 HH2 TRP 92 1.922 7.954 -36.341 712 H TYR 93 H TYR 93 0.328 -0.332 -38.367 713 HA TYR 93 HA TYR 93 -0.534 -2.584 -36.897 714 HB2 TYR 93 2HB TYR 93 -1.359 -2.254 -39.128 715 HB3 TYR 93 3HB TYR 93 0.271 -2.269 -39.792 716 HD1 TYR 93 HD2 TYR 93 -1.451 -4.570 -37.406 717 HD2 TYR 93 HD1 TYR 93 0.456 -4.110 -41.182 718 HE1 TYR 93 HE2 TYR 93 -1.634 -6.993 -37.788 719 HE2 TYR 93 HE1 TYR 93 0.277 -6.531 -41.574 720 HH TYR 93 HH TYR 93 -1.718 -8.517 -39.932 721 H GLN 94 H GLN 94 2.472 -1.939 -38.682 722 HA GLN 94 HA GLN 94 3.695 -4.414 -38.097 723 HB2 GLN 94 2HB GLN 94 4.309 -2.231 -39.668 724 HB3 GLN 94 3HB GLN 94 5.544 -2.171 -38.418 725 HG2 GLN 94 2HG GLN 94 5.964 -4.622 -38.931 726 HG3 GLN 94 3HG GLN 94 4.979 -4.375 -40.371 727 HE21 GLN 94 1HE2 GLN 94 7.810 -5.059 -40.111 728 HE22 GLN 94 2HE2 GLN 94 8.675 -3.834 -40.969 729 H GLU 95 H GLU 95 3.845 -1.250 -36.512 730 HA GLU 95 HA GLU 95 5.795 -1.882 -34.600 731 HB2 GLU 95 2HB GLU 95 4.508 0.380 -35.257 732 HB3 GLU 95 3HB GLU 95 3.602 -0.044 -33.810 733 HG2 GLU 95 2HG GLU 95 6.509 0.609 -34.082 734 HG3 GLU 95 3HG GLU 95 5.293 1.358 -33.048 735 H ALA 96 H ALA 96 2.272 -2.206 -34.524 736 HA ALA 96 HA ALA 96 2.101 -3.078 -31.835 737 HB1 ALA 96 1HB ALA 96 0.185 -3.596 -34.107 738 HB2 ALA 96 2HB ALA 96 -0.167 -3.752 -32.386 739 HB3 ALA 96 3HB ALA 96 0.188 -2.167 -33.073 740 H MET 97 H MET 97 2.297 -4.816 -34.920 741 HA MET 97 HA MET 97 2.049 -7.408 -33.805 742 HB2 MET 97 2HB MET 97 2.014 -6.418 -36.333 743 HB3 MET 97 3HB MET 97 3.620 -7.134 -36.290 744 HG2 MET 97 2HG MET 97 2.085 -9.107 -35.194 745 HG3 MET 97 3HG MET 97 0.995 -8.403 -36.386 746 HE1 MET 97 3HE MET 97 5.130 -10.208 -37.345 747 HE2 MET 97 1HE MET 97 4.969 -8.612 -36.611 748 HE3 MET 97 2HE MET 97 4.445 -10.046 -35.727 749 H SER 98 H SER 98 4.795 -5.317 -34.489 750 HA SER 98 HA SER 98 6.806 -7.261 -34.013 751 HB2 SER 98 2HB SER 98 7.113 -5.076 -35.245 752 HB3 SER 98 3HB SER 98 7.085 -4.269 -33.677 753 HG SER 98 HG SER 98 8.907 -5.489 -33.086 754 H PHE 99 H PHE 99 5.262 -4.816 -31.970 755 HA PHE 99 HA PHE 99 6.856 -5.321 -29.677 756 HB2 PHE 99 2HB PHE 99 4.588 -3.645 -30.376 757 HB3 PHE 99 3HB PHE 99 4.424 -4.317 -28.757 758 HD1 PHE 99 HD2 PHE 99 7.077 -2.761 -30.875 759 HD2 PHE 99 HD1 PHE 99 5.258 -3.059 -27.039 760 HE1 PHE 99 HE2 PHE 99 8.619 -1.048 -30.014 761 HE2 PHE 99 HE1 PHE 99 6.797 -1.346 -26.172 762 HZ PHE 99 HZ PHE 99 8.481 -0.339 -27.660 763 H ARG 100 H ARG 100 3.811 -6.616 -30.864 764 HA ARG 100 HA ARG 100 2.925 -7.948 -28.594 765 HB2 ARG 100 2HB ARG 100 1.489 -7.802 -30.497 766 HB3 ARG 100 3HB ARG 100 2.654 -8.634 -31.518 767 HG2 ARG 100 2HG ARG 100 1.744 -10.147 -29.170 768 HG3 ARG 100 3HG ARG 100 0.509 -9.809 -30.384 769 HD2 ARG 100 2HD ARG 100 3.031 -10.687 -31.543 770 HD3 ARG 100 3HD ARG 100 2.331 -11.877 -30.446 771 HE ARG 100 HE ARG 100 0.280 -11.025 -32.094 772 HH11 ARG 100 1HH1 ARG 100 3.354 -12.621 -32.443 773 HH12 ARG 100 2HH1 ARG 100 2.880 -13.511 -33.851 774 HH21 ARG 100 1HH2 ARG 100 -0.357 -12.191 -33.948 775 HH22 ARG 100 2HH2 ARG 100 0.769 -13.265 -34.707 776 H LYS 101 H LYS 101 5.568 -8.666 -30.701 777 HA LYS 101 HA LYS 101 5.843 -11.424 -30.104 778 HB2 LYS 101 2HB LYS 101 7.013 -9.729 -31.884 779 HB3 LYS 101 3HB LYS 101 8.305 -9.917 -30.706 780 HG2 LYS 101 2HG LYS 101 8.859 -11.823 -31.679 781 HG3 LYS 101 3HG LYS 101 7.302 -12.495 -31.192 782 HD2 LYS 101 2HD LYS 101 6.615 -11.013 -33.380 783 HD3 LYS 101 3HD LYS 101 8.225 -11.585 -33.821 784 HE2 LYS 101 2HE LYS 101 7.594 -13.812 -33.746 785 HE3 LYS 101 3HE LYS 101 6.215 -13.491 -32.696 786 HZ1 LYS 101 3HZ LYS 101 5.882 -13.984 -35.222 787 HZ2 LYS 101 1HZ LYS 101 6.228 -12.337 -35.392 788 HZ3 LYS 101 2HZ LYS 101 4.921 -12.832 -34.440 789 H THR 102 H THR 102 6.677 -8.535 -28.412 790 HA THR 102 HA THR 102 8.191 -10.118 -26.440 791 HB THR 102 HB THR 102 9.530 -8.331 -27.496 792 HG1 THR 102 HG1 THR 102 10.296 -8.611 -25.509 793 HG21 THR 102 3HG2 THR 102 7.419 -6.530 -26.310 794 HG22 THR 102 1HG2 THR 102 7.844 -6.702 -28.012 795 HG23 THR 102 2HG2 THR 102 8.986 -5.966 -26.887 796 H TYR 103 H TYR 103 5.297 -8.543 -27.007 797 HA TYR 103 HA TYR 103 4.751 -7.333 -24.529 798 HB2 TYR 103 2HB TYR 103 3.449 -7.232 -26.783 799 HB3 TYR 103 3HB TYR 103 2.610 -8.652 -26.168 800 HD1 TYR 103 HD2 TYR 103 1.939 -8.273 -23.520 801 HD2 TYR 103 HD1 TYR 103 2.304 -5.261 -26.503 802 HE1 TYR 103 HE2 TYR 103 0.424 -6.824 -22.234 803 HE2 TYR 103 HE1 TYR 103 0.790 -3.803 -25.224 804 HH TYR 103 HH TYR 103 -1.176 -4.350 -23.387 805 H LEU 104 H LEU 104 3.841 -10.557 -25.746 806 HA LEU 104 HA LEU 104 2.756 -11.416 -23.261 807 HB2 LEU 104 2HB LEU 104 2.903 -13.697 -24.333 808 HB3 LEU 104 3HB LEU 104 1.938 -12.491 -25.181 809 HG LEU 104 HG LEU 104 4.610 -12.435 -26.198 810 HD11 LEU 104 1HD1 LEU 104 3.308 -15.147 -26.349 811 HD12 LEU 104 2HD1 LEU 104 4.686 -14.760 -25.319 812 HD13 LEU 104 3HD1 LEU 104 4.838 -14.652 -27.073 813 HD21 LEU 104 3HD2 LEU 104 2.450 -11.731 -27.278 814 HD22 LEU 104 1HD2 LEU 104 2.102 -13.443 -27.523 815 HD23 LEU 104 2HD2 LEU 104 3.515 -12.713 -28.285 816 H ASP 105 H ASP 105 5.879 -11.840 -24.857 817 HA ASP 105 HA ASP 105 7.025 -13.700 -23.139 818 HB2 ASP 105 2HB ASP 105 8.069 -11.600 -24.967 819 HB3 ASP 105 3HB ASP 105 9.192 -12.262 -23.782 820 H LEU 106 H LEU 106 6.998 -10.156 -22.906 821 HA LEU 106 HA LEU 106 8.509 -10.030 -20.513 822 HB2 LEU 106 2HB LEU 106 6.914 -8.172 -22.152 823 HB3 LEU 106 3HB LEU 106 7.079 -7.741 -20.451 824 HG LEU 106 HG LEU 106 8.745 -6.669 -21.968 825 HD11 LEU 106 1HD1 LEU 106 10.682 -7.144 -20.517 826 HD12 LEU 106 2HD1 LEU 106 9.797 -8.498 -19.815 827 HD13 LEU 106 3HD1 LEU 106 9.200 -6.852 -19.607 828 HD21 LEU 106 3HD2 LEU 106 8.945 -9.066 -23.174 829 HD22 LEU 106 1HD2 LEU 106 10.332 -9.151 -22.088 830 HD23 LEU 106 2HD2 LEU 106 10.200 -7.828 -23.246 831 H ALA 107 H ALA 107 5.210 -10.737 -21.176 832 HA ALA 107 HA ALA 107 4.517 -10.421 -18.333 833 HB1 ALA 107 1HB ALA 107 2.370 -10.997 -20.269 834 HB2 ALA 107 2HB ALA 107 2.409 -9.867 -18.915 835 HB3 ALA 107 3HB ALA 107 3.171 -9.435 -20.445 836 H ARG 108 H ARG 108 6.085 -12.585 -18.915 837 HA ARG 108 HA ARG 108 4.564 -14.728 -17.910 838 HB2 ARG 108 2HB ARG 108 3.697 -14.775 -20.229 839 HB3 ARG 108 3HB ARG 108 5.338 -15.001 -20.820 840 HG2 ARG 108 2HG ARG 108 4.035 -17.091 -20.734 841 HG3 ARG 108 3HG ARG 108 5.491 -17.141 -19.737 842 HD2 ARG 108 2HD ARG 108 4.322 -17.345 -17.829 843 HD3 ARG 108 3HD ARG 108 3.099 -16.183 -18.341 844 HE ARG 108 HE ARG 108 1.786 -17.943 -18.934 845 HH11 ARG 108 1HH1 ARG 108 5.102 -19.001 -18.936 846 HH12 ARG 108 2HH1 ARG 108 4.712 -20.651 -19.294 847 HH21 ARG 108 1HH2 ARG 108 1.259 -20.112 -19.405 848 HH22 ARG 108 2HH2 ARG 108 2.526 -21.282 -19.561 849 H GLN 109 H GLN 109 7.405 -13.818 -19.811 850 HA GLN 109 HA GLN 109 9.013 -15.996 -18.931 851 HB2 GLN 109 2HB GLN 109 9.544 -14.872 -21.003 852 HB3 GLN 109 3HB GLN 109 9.746 -13.339 -20.167 853 HG2 GLN 109 2HG GLN 109 11.666 -14.290 -18.949 854 HG3 GLN 109 3HG GLN 109 11.486 -15.776 -19.880 855 HE21 GLN 109 1HE2 GLN 109 13.855 -14.735 -20.072 856 HE22 GLN 109 2HE2 GLN 109 14.098 -13.892 -21.560 857 H SER 110 H SER 110 8.432 -12.738 -17.775 858 HA SER 110 HA SER 110 10.586 -12.675 -15.916 859 HB2 SER 110 2HB SER 110 9.222 -10.698 -16.874 860 HB3 SER 110 3HB SER 110 8.050 -11.080 -15.613 861 HG SER 110 HG SER 110 10.716 -10.200 -15.352 862 H GLY 111 H GLY 111 7.373 -13.979 -15.861 863 HA2 GLY 111 2HA GLY 111 7.541 -14.420 -12.958 864 HA3 GLY 111 3HA GLY 111 6.084 -14.561 -13.930 Start of MODEL 2 1 H1 MET 1 H MET 1 1.643 1.496 -2.367 2 HA MET 1 HA MET 1 3.036 0.353 -4.621 3 HB2 MET 1 2HB MET 1 3.662 0.725 -1.712 4 HB3 MET 1 3HB MET 1 4.649 -0.347 -2.696 5 HG2 MET 1 2HG MET 1 5.802 1.379 -3.443 6 HG3 MET 1 3HG MET 1 4.332 2.088 -4.108 7 HE1 MET 1 3HE MET 1 7.242 2.684 -2.134 8 HE2 MET 1 1HE MET 1 6.801 3.597 -0.691 9 HE3 MET 1 2HE MET 1 6.537 1.854 -0.746 10 H SER 2 H SER 2 1.072 -0.762 -1.975 11 HA SER 2 HA SER 2 1.852 -3.484 -2.025 12 HB2 SER 2 2HB SER 2 -0.926 -3.037 -1.244 13 HB3 SER 2 3HB SER 2 0.419 -3.675 -0.298 14 HG SER 2 HG SER 2 0.691 -1.777 0.556 15 H LYS 3 H LYS 3 -0.293 -5.046 -2.332 16 HA LYS 3 HA LYS 3 -1.544 -4.480 -4.901 17 HB2 LYS 3 2HB LYS 3 0.779 -6.008 -4.792 18 HB3 LYS 3 3HB LYS 3 -0.512 -7.201 -4.865 19 HG2 LYS 3 2HG LYS 3 -0.298 -6.914 -7.079 20 HG3 LYS 3 3HG LYS 3 -1.319 -5.502 -6.796 21 HD2 LYS 3 2HD LYS 3 1.032 -4.369 -6.318 22 HD3 LYS 3 3HD LYS 3 1.591 -5.665 -7.378 23 HE2 LYS 3 2HE LYS 3 -0.587 -4.730 -8.730 24 HE3 LYS 3 3HE LYS 3 0.038 -3.256 -7.993 25 HZ1 LYS 3 3HZ LYS 3 0.944 -3.831 -10.248 26 HZ2 LYS 3 1HZ LYS 3 1.753 -5.127 -9.520 27 HZ3 LYS 3 2HZ LYS 3 2.105 -3.540 -9.052 28 H ASN 4 H ASN 4 -1.042 -7.225 -2.672 29 HA ASN 4 HA ASN 4 -3.719 -7.230 -1.750 30 HB2 ASN 4 2HB ASN 4 -3.401 -8.408 -4.269 31 HB3 ASN 4 3HB ASN 4 -3.484 -9.760 -3.143 32 HD21 ASN 4 1HD2 ASN 4 -5.480 -10.457 -3.774 33 HD22 ASN 4 2HD2 ASN 4 -6.931 -9.566 -3.484 34 H GLU 5 H GLU 5 -4.199 -9.424 -0.614 35 HA GLU 5 HA GLU 5 -2.173 -9.856 1.285 36 HB2 GLU 5 2HB GLU 5 -4.686 -10.249 1.529 37 HB3 GLU 5 3HB GLU 5 -4.418 -11.783 0.714 38 HG2 GLU 5 2HG GLU 5 -4.425 -12.248 3.020 39 HG3 GLU 5 3HG GLU 5 -2.740 -12.319 2.507 40 H ARG 6 H ARG 6 -3.257 -11.834 -1.457 41 HA ARG 6 HA ARG 6 -1.549 -14.009 -1.049 42 HB2 ARG 6 2HB ARG 6 -2.811 -12.877 -3.541 43 HB3 ARG 6 3HB ARG 6 -1.832 -14.338 -3.566 44 HG2 ARG 6 2HG ARG 6 -3.363 -15.464 -2.108 45 HG3 ARG 6 3HG ARG 6 -4.285 -13.980 -1.860 46 HD2 ARG 6 2HD ARG 6 -5.543 -14.481 -3.618 47 HD3 ARG 6 3HD ARG 6 -4.114 -14.416 -4.649 48 HE ARG 6 HE ARG 6 -4.318 -16.909 -3.290 49 HH11 ARG 6 1HH1 ARG 6 -5.565 -15.089 -5.984 50 HH12 ARG 6 2HH1 ARG 6 -5.983 -16.494 -6.908 51 HH21 ARG 6 1HH2 ARG 6 -4.865 -18.766 -4.497 52 HH22 ARG 6 2HH2 ARG 6 -5.585 -18.585 -6.061 53 H ASP 7 H ASP 7 0.078 -14.528 -3.022 54 HA ASP 7 HA ASP 7 1.739 -12.315 -3.787 55 HB2 ASP 7 2HB ASP 7 3.773 -13.477 -2.614 56 HB3 ASP 7 3HB ASP 7 2.751 -12.368 -1.704 57 H THR 8 H THR 8 1.432 -15.815 -3.411 58 HA THR 8 HA THR 8 3.182 -16.311 -5.675 59 HB THR 8 HB THR 8 2.718 -18.703 -5.240 60 HG1 THR 8 HG1 THR 8 1.550 -19.048 -3.148 61 HG21 THR 8 3HG2 THR 8 3.490 -17.113 -2.790 62 HG22 THR 8 1HG2 THR 8 4.574 -17.614 -4.086 63 HG23 THR 8 2HG2 THR 8 3.823 -18.826 -3.047 64 H SER 9 H SER 9 1.408 -14.883 -6.835 65 HA SER 9 HA SER 9 -0.007 -16.680 -8.567 66 HB2 SER 9 2HB SER 9 -1.485 -15.010 -6.565 67 HB3 SER 9 3HB SER 9 -2.202 -15.297 -8.151 68 HG SER 9 HG SER 9 -2.572 -17.304 -7.618 69 H PHE 10 H PHE 10 0.051 -13.272 -7.521 70 HA PHE 10 HA PHE 10 0.031 -12.449 -10.331 71 HB2 PHE 10 2HB PHE 10 -0.514 -10.228 -9.516 72 HB3 PHE 10 3HB PHE 10 -1.600 -11.403 -8.782 73 HD1 PHE 10 HD1 PHE 10 -1.353 -12.013 -6.419 74 HD2 PHE 10 HD2 PHE 10 1.028 -8.971 -8.205 75 HE1 PHE 10 HE1 PHE 10 -0.741 -11.185 -4.184 76 HE2 PHE 10 HE2 PHE 10 1.645 -8.138 -5.974 77 HZ PHE 10 HZ PHE 10 0.761 -9.246 -3.960 78 H ASN 11 H ASN 11 1.798 -11.719 -11.321 79 HA ASN 11 HA ASN 11 4.205 -11.273 -9.698 80 HB2 ASN 11 2HB ASN 11 4.127 -13.018 -11.591 81 HB3 ASN 11 3HB ASN 11 4.165 -11.640 -12.687 82 HD21 ASN 11 1HD2 ASN 11 6.162 -12.502 -13.458 83 HD22 ASN 11 2HD2 ASN 11 7.626 -12.213 -12.588 84 H LYS 12 H LYS 12 4.592 -9.209 -9.259 85 HA LYS 12 HA LYS 12 3.443 -6.994 -10.447 86 HB2 LYS 12 2HB LYS 12 4.593 -6.903 -8.293 87 HB3 LYS 12 3HB LYS 12 6.136 -7.194 -9.085 88 HG2 LYS 12 2HG LYS 12 6.001 -5.072 -10.223 89 HG3 LYS 12 3HG LYS 12 4.390 -4.787 -9.561 90 HD2 LYS 12 2HD LYS 12 5.519 -3.641 -7.981 91 HD3 LYS 12 3HD LYS 12 5.788 -5.243 -7.290 92 HE2 LYS 12 2HE LYS 12 7.774 -4.846 -9.255 93 HE3 LYS 12 3HE LYS 12 7.696 -3.366 -8.300 94 HZ1 LYS 12 3HZ LYS 12 8.016 -6.104 -7.193 95 HZ2 LYS 12 1HZ LYS 12 7.985 -4.668 -6.298 96 HZ3 LYS 12 2HZ LYS 12 9.258 -4.969 -7.370 97 H ASN 13 H ASN 13 6.316 -8.774 -11.377 98 HA ASN 13 HA ASN 13 7.474 -6.948 -13.134 99 HB2 ASN 13 2HB ASN 13 8.720 -8.890 -12.575 100 HB3 ASN 13 3HB ASN 13 7.432 -9.963 -13.114 101 HD21 ASN 13 1HD2 ASN 13 7.340 -10.573 -15.202 102 HD22 ASN 13 2HD2 ASN 13 8.476 -10.083 -16.409 103 H GLY 14 H GLY 14 4.966 -9.391 -13.726 104 HA2 GLY 14 2HA GLY 14 4.720 -9.016 -16.493 105 HA3 GLY 14 3HA GLY 14 3.456 -9.629 -15.436 106 H CYS 15 H CYS 15 3.200 -7.310 -13.801 107 HA CYS 15 HA CYS 15 1.393 -5.814 -15.398 108 HB2 CYS 15 2HB CYS 15 1.383 -6.255 -12.831 109 HB3 CYS 15 3HB CYS 15 2.434 -4.847 -12.753 110 HG CYS 15 HG CYS 15 -0.271 -4.254 -14.585 111 H LEU 16 H LEU 16 4.643 -5.196 -14.167 112 HA LEU 16 HA LEU 16 4.813 -2.498 -14.964 113 HB2 LEU 16 2HB LEU 16 6.358 -3.412 -13.365 114 HB3 LEU 16 3HB LEU 16 6.948 -4.582 -14.543 115 HG LEU 16 HG LEU 16 7.640 -2.430 -15.874 116 HD11 LEU 16 1HD1 LEU 16 7.244 -1.442 -13.072 117 HD12 LEU 16 2HD1 LEU 16 6.741 -0.704 -14.592 118 HD13 LEU 16 3HD1 LEU 16 8.446 -0.720 -14.142 119 HD21 LEU 16 3HD2 LEU 16 9.615 -2.520 -13.876 120 HD22 LEU 16 1HD2 LEU 16 9.592 -3.378 -15.417 121 HD23 LEU 16 2HD2 LEU 16 8.927 -4.142 -13.974 122 H VAL 17 H VAL 17 5.821 -5.500 -16.571 123 HA VAL 17 HA VAL 17 6.865 -4.237 -18.885 124 HB VAL 17 HB VAL 17 6.765 -6.470 -19.925 125 HG11 VAL 17 1HG1 VAL 17 8.104 -7.658 -18.059 126 HG12 VAL 17 2HG1 VAL 17 8.730 -6.150 -18.730 127 HG13 VAL 17 3HG1 VAL 17 7.899 -6.147 -17.173 128 HG21 VAL 17 3HG2 VAL 17 5.325 -7.236 -17.388 129 HG22 VAL 17 1HG2 VAL 17 4.680 -7.279 -19.029 130 HG23 VAL 17 2HG2 VAL 17 5.973 -8.383 -18.560 131 H PHE 18 H PHE 18 3.687 -5.476 -18.022 132 HA PHE 18 HA PHE 18 2.516 -5.367 -20.576 133 HB2 PHE 18 2HB PHE 18 1.425 -6.583 -18.805 134 HB3 PHE 18 3HB PHE 18 1.290 -5.128 -17.824 135 HD1 PHE 18 HD2 PHE 18 -0.322 -3.378 -18.416 136 HD2 PHE 18 HD1 PHE 18 -0.118 -7.047 -20.563 137 HE1 PHE 18 HE2 PHE 18 -2.539 -2.931 -19.383 138 HE2 PHE 18 HE1 PHE 18 -2.335 -6.606 -21.534 139 HZ PHE 18 HZ PHE 18 -3.549 -4.546 -20.944 140 H VAL 19 H VAL 19 2.176 -3.057 -17.876 141 HA VAL 19 HA VAL 19 0.849 -1.075 -19.347 142 HB VAL 19 HB VAL 19 1.524 0.481 -17.549 143 HG11 VAL 19 1HG1 VAL 19 0.005 -0.372 -16.114 144 HG12 VAL 19 2HG1 VAL 19 -0.230 -1.557 -17.401 145 HG13 VAL 19 3HG1 VAL 19 0.808 -1.939 -16.026 146 HG21 VAL 19 3HG2 VAL 19 3.404 -1.738 -16.937 147 HG22 VAL 19 1HG2 VAL 19 3.644 0.007 -16.847 148 HG23 VAL 19 2HG2 VAL 19 2.730 -0.823 -15.588 149 H SER 20 H SER 20 4.277 -1.686 -18.823 150 HA SER 20 HA SER 20 5.284 0.719 -19.857 151 HB2 SER 20 2HB SER 20 6.431 -2.054 -19.611 152 HB3 SER 20 3HB SER 20 7.350 -0.751 -20.365 153 HG SER 20 HG SER 20 7.777 -0.033 -18.448 154 H ARG 21 H ARG 21 4.713 -2.409 -21.453 155 HA ARG 21 HA ARG 21 5.521 -1.528 -24.025 156 HB2 ARG 21 2HB ARG 21 4.011 -3.898 -22.984 157 HB3 ARG 21 3HB ARG 21 4.080 -3.601 -24.715 158 HG2 ARG 21 2HG ARG 21 6.614 -3.613 -23.153 159 HG3 ARG 21 3HG ARG 21 5.833 -5.146 -23.546 160 HD2 ARG 21 2HD ARG 21 5.993 -4.738 -25.870 161 HD3 ARG 21 3HD ARG 21 6.420 -3.047 -25.616 162 HE ARG 21 HE ARG 21 8.196 -5.270 -25.641 163 HH11 ARG 21 1HH1 ARG 21 7.650 -2.154 -24.189 164 HH12 ARG 21 2HH1 ARG 21 9.327 -1.868 -23.861 165 HH21 ARG 21 1HH2 ARG 21 10.407 -4.905 -25.215 166 HH22 ARG 21 2HH2 ARG 21 10.895 -3.433 -24.445 167 H LEU 22 H LEU 22 2.414 -1.677 -22.368 168 HA LEU 22 HA LEU 22 0.745 -1.116 -24.542 169 HB2 LEU 22 2HB LEU 22 -0.480 -1.745 -22.738 170 HB3 LEU 22 3HB LEU 22 0.557 -0.890 -21.599 171 HG LEU 22 HG LEU 22 -1.145 0.758 -23.384 172 HD11 LEU 22 1HD1 LEU 22 -2.774 -0.861 -22.809 173 HD12 LEU 22 2HD1 LEU 22 -3.023 0.508 -21.727 174 HD13 LEU 22 3HD1 LEU 22 -2.208 -0.941 -21.140 175 HD21 LEU 22 3HD2 LEU 22 -0.274 2.244 -21.972 176 HD22 LEU 22 1HD2 LEU 22 0.300 0.984 -20.880 177 HD23 LEU 22 2HD2 LEU 22 -1.356 1.578 -20.748 178 H TRP 23 H TRP 23 2.399 1.060 -22.286 179 HA TRP 23 HA TRP 23 1.325 3.469 -23.216 180 HB2 TRP 23 2HB TRP 23 3.299 2.672 -21.356 181 HB3 TRP 23 3HB TRP 23 4.067 3.835 -22.434 182 HD1 TRP 23 HD1 TRP 23 0.428 3.912 -21.098 183 HE1 TRP 23 HE1 TRP 23 0.084 6.145 -19.867 184 HE3 TRP 23 HE3 TRP 23 5.178 5.771 -21.446 185 HZ2 TRP 23 HZ2 TRP 23 1.622 8.398 -19.140 186 HZ3 TRP 23 HZ3 TRP 23 5.658 7.972 -20.458 187 HH2 TRP 23 HH2 TRP 23 3.915 9.257 -19.329 188 H ASP 24 H ASP 24 4.045 1.552 -24.361 189 HA ASP 24 HA ASP 24 5.029 3.486 -26.198 190 HB2 ASP 24 2HB ASP 24 5.573 0.672 -25.539 191 HB3 ASP 24 3HB ASP 24 5.860 1.090 -27.227 192 H LEU 25 H LEU 25 2.979 0.607 -26.592 193 HA LEU 25 HA LEU 25 2.600 0.795 -29.351 194 HB2 LEU 25 2HB LEU 25 1.931 -1.207 -28.375 195 HB3 LEU 25 3HB LEU 25 1.001 -0.394 -27.118 196 HG LEU 25 HG LEU 25 -0.663 0.251 -28.857 197 HD11 LEU 25 1HD1 LEU 25 -0.617 -0.854 -31.010 198 HD12 LEU 25 2HD1 LEU 25 0.904 -1.644 -30.601 199 HD13 LEU 25 3HD1 LEU 25 0.845 0.108 -30.793 200 HD21 LEU 25 3HD2 LEU 25 -1.805 -1.581 -28.311 201 HD22 LEU 25 1HD2 LEU 25 -0.334 -2.147 -27.519 202 HD23 LEU 25 2HD2 LEU 25 -0.684 -2.632 -29.179 203 H ASP 26 H ASP 26 0.951 2.388 -26.687 204 HA ASP 26 HA ASP 26 -1.128 3.511 -28.297 205 HB2 ASP 26 2HB ASP 26 -0.142 4.018 -25.499 206 HB3 ASP 26 3HB ASP 26 -1.381 5.036 -26.229 207 H LYS 27 H LYS 27 0.288 4.336 -30.013 208 HA LYS 27 HA LYS 27 2.099 6.470 -29.533 209 HB2 LYS 27 2HB LYS 27 0.809 5.287 -31.959 210 HB3 LYS 27 3HB LYS 27 1.632 6.835 -32.097 211 HG2 LYS 27 2HG LYS 27 2.941 4.381 -30.957 212 HG3 LYS 27 3HG LYS 27 2.997 4.804 -32.670 213 HD2 LYS 27 2HD LYS 27 4.430 6.531 -32.334 214 HD3 LYS 27 3HD LYS 27 3.741 6.935 -30.759 215 HE2 LYS 27 2HE LYS 27 5.605 6.026 -29.917 216 HE3 LYS 27 3HE LYS 27 4.850 4.478 -30.295 217 HZ1 LYS 27 3HZ LYS 27 7.076 5.816 -31.584 218 HZ2 LYS 27 1HZ LYS 27 5.971 5.082 -32.635 219 HZ3 LYS 27 2HZ LYS 27 6.740 4.164 -31.440 220 H LEU 28 H LEU 28 -1.329 6.291 -30.206 221 HA LEU 28 HA LEU 28 -1.887 8.868 -31.017 222 HB2 LEU 28 2HB LEU 28 -3.584 7.168 -30.975 223 HB3 LEU 28 3HB LEU 28 -3.471 7.041 -29.220 224 HG LEU 28 HG LEU 28 -4.169 9.627 -29.442 225 HD11 LEU 28 1HD1 LEU 28 -5.487 10.131 -31.238 226 HD12 LEU 28 2HD1 LEU 28 -5.886 8.445 -31.563 227 HD13 LEU 28 3HD1 LEU 28 -4.302 9.077 -32.012 228 HD21 LEU 28 3HD2 LEU 28 -6.014 7.240 -29.455 229 HD22 LEU 28 1HD2 LEU 28 -6.479 8.879 -28.997 230 HD23 LEU 28 2HD2 LEU 28 -5.282 8.003 -28.042 231 H GLY 29 H GLY 29 -1.038 7.694 -27.842 232 HA2 GLY 29 2HA GLY 29 -0.180 8.980 -26.090 233 HA3 GLY 29 3HA GLY 29 -0.695 10.432 -26.935 234 H MET 30 H MET 30 -3.343 10.128 -27.265 235 HA MET 30 HA MET 30 -4.305 10.192 -24.504 236 HB2 MET 30 2HB MET 30 -4.680 11.964 -26.508 237 HB3 MET 30 3HB MET 30 -6.111 10.964 -26.718 238 HG2 MET 30 2HG MET 30 -6.605 11.327 -24.289 239 HG3 MET 30 3HG MET 30 -5.295 12.506 -24.273 240 HE1 MET 30 3HE MET 30 -6.809 15.647 -25.362 241 HE2 MET 30 1HE MET 30 -6.584 14.864 -23.797 242 HE3 MET 30 2HE MET 30 -5.336 14.731 -25.036 243 H PHE 31 H PHE 31 -3.805 7.645 -25.588 244 HA PHE 31 HA PHE 31 -6.520 6.591 -26.020 245 HB2 PHE 31 2HB PHE 31 -4.484 6.205 -27.676 246 HB3 PHE 31 3HB PHE 31 -4.098 4.924 -26.532 247 HD1 PHE 31 HD2 PHE 31 -6.567 3.757 -25.781 248 HD2 PHE 31 HD1 PHE 31 -5.428 5.331 -29.568 249 HE1 PHE 31 HE2 PHE 31 -8.201 2.284 -26.881 250 HE2 PHE 31 HE1 PHE 31 -7.062 3.860 -30.674 251 HZ PHE 31 HZ PHE 31 -8.450 2.333 -29.330 252 H HIS 32 H HIS 32 -7.418 5.636 -24.330 253 HA HIS 32 HA HIS 32 -6.174 3.638 -22.793 254 HB2 HIS 32 2HB HIS 32 -6.267 4.950 -20.579 255 HB3 HIS 32 3HB HIS 32 -4.896 5.239 -21.646 256 HD1 HIS 32 HD1 HIS 32 -4.710 7.560 -22.735 257 HD2 HIS 32 HD2 HIS 32 -8.055 7.104 -20.314 258 HE1 HIS 32 HE1 HIS 32 -5.632 9.878 -22.419 259 H HIS 33 H HIS 33 -8.606 3.998 -24.177 260 HA HIS 33 HA HIS 33 -10.454 3.255 -22.078 261 HB2 HIS 33 2HB HIS 33 -10.735 5.772 -23.669 262 HB3 HIS 33 3HB HIS 33 -12.185 4.879 -23.221 263 HD1 HIS 33 HD1 HIS 33 -11.527 4.062 -20.370 264 HD2 HIS 33 HD2 HIS 33 -10.718 7.835 -21.911 265 HE1 HIS 33 HE1 HIS 33 -11.389 5.588 -18.375 266 HA PRO 34 HA PRO 34 -12.041 0.552 -25.146 267 HB2 PRO 34 2HB PRO 34 -14.670 0.418 -24.483 268 HB3 PRO 34 3HB PRO 34 -13.396 -0.337 -23.518 269 HG2 PRO 34 2HG PRO 34 -14.808 2.268 -23.086 270 HG3 PRO 34 3HG PRO 34 -14.379 1.019 -21.903 271 HD2 PRO 34 2HD PRO 34 -12.929 3.283 -22.222 272 HD3 PRO 34 3HD PRO 34 -12.194 1.737 -21.749 273 H VAL 35 H VAL 35 -13.048 0.502 -27.137 274 HA VAL 35 HA VAL 35 -13.639 3.012 -28.348 275 HB VAL 35 HB VAL 35 -14.037 0.214 -29.417 276 HG11 VAL 35 1HG1 VAL 35 -13.707 1.760 -31.599 277 HG12 VAL 35 2HG1 VAL 35 -15.284 1.324 -30.936 278 HG13 VAL 35 3HG1 VAL 35 -14.563 2.886 -30.545 279 HG21 VAL 35 3HG2 VAL 35 -11.857 2.001 -30.344 280 HG22 VAL 35 1HG2 VAL 35 -11.681 1.246 -28.760 281 HG23 VAL 35 2HG2 VAL 35 -11.896 0.244 -30.195 282 H SER 36 H SER 36 -15.578 3.829 -29.091 283 HA SER 36 HA SER 36 -17.910 3.034 -27.606 284 HB2 SER 36 2HB SER 36 -17.402 5.198 -29.651 285 HB3 SER 36 3HB SER 36 -18.990 4.919 -28.936 286 HG SER 36 HG SER 36 -16.604 5.751 -27.676 287 H ALA 37 H ALA 37 -19.756 2.079 -28.353 288 HA ALA 37 HA ALA 37 -19.583 0.264 -30.472 289 HB1 ALA 37 1HB ALA 37 -21.268 0.560 -28.401 290 HB2 ALA 37 2HB ALA 37 -22.288 1.159 -29.710 291 HB3 ALA 37 3HB ALA 37 -21.609 -0.466 -29.795 292 H GLU 38 H GLU 38 -20.760 3.564 -30.353 293 HA GLU 38 HA GLU 38 -22.236 3.726 -32.674 294 HB2 GLU 38 2HB GLU 38 -21.640 6.099 -32.739 295 HB3 GLU 38 3HB GLU 38 -22.009 5.584 -31.099 296 HG2 GLU 38 2HG GLU 38 -19.395 5.224 -31.005 297 HG3 GLU 38 3HG GLU 38 -19.429 6.431 -32.290 298 H GLU 39 H GLU 39 -18.733 3.758 -32.283 299 HA GLU 39 HA GLU 39 -18.343 4.082 -35.153 300 HB2 GLU 39 2HB GLU 39 -16.577 4.179 -32.750 301 HB3 GLU 39 3HB GLU 39 -15.852 3.787 -34.303 302 HG2 GLU 39 2HG GLU 39 -17.066 5.908 -35.139 303 HG3 GLU 39 3HG GLU 39 -17.182 6.313 -33.427 304 H LEU 40 H LEU 40 -18.095 1.646 -32.652 305 HA LEU 40 HA LEU 40 -17.537 -0.352 -34.739 306 HB2 LEU 40 2HB LEU 40 -16.287 -0.031 -32.038 307 HB3 LEU 40 3HB LEU 40 -16.385 -1.619 -32.795 308 HG LEU 40 HG LEU 40 -14.203 -0.663 -33.170 309 HD11 LEU 40 1HD1 LEU 40 -15.803 -1.737 -35.095 310 HD12 LEU 40 2HD1 LEU 40 -14.080 -1.409 -35.277 311 HD13 LEU 40 3HD1 LEU 40 -15.266 -0.243 -35.864 312 HD21 LEU 40 3HD2 LEU 40 -13.799 1.472 -33.714 313 HD22 LEU 40 1HD2 LEU 40 -15.465 1.755 -33.208 314 HD23 LEU 40 2HD2 LEU 40 -15.091 1.513 -34.915 315 HA PRO 41 HA PRO 41 -21.451 -1.393 -32.488 316 HB2 PRO 41 2HB PRO 41 -22.826 -2.066 -34.730 317 HB3 PRO 41 3HB PRO 41 -22.723 -0.407 -34.128 318 HG2 PRO 41 2HG PRO 41 -21.163 -1.729 -36.315 319 HG3 PRO 41 3HG PRO 41 -21.888 -0.111 -36.278 320 HD2 PRO 41 2HD PRO 41 -19.250 -0.536 -35.838 321 HD3 PRO 41 3HD PRO 41 -20.150 0.777 -35.051 322 H ASP 42 H ASP 42 -19.292 -2.994 -34.636 323 HA ASP 42 HA ASP 42 -20.426 -5.609 -33.894 324 HB2 ASP 42 2HB ASP 42 -19.642 -6.514 -35.895 325 HB3 ASP 42 3HB ASP 42 -20.156 -4.900 -36.379 326 H TYR 43 H TYR 43 -18.487 -3.765 -32.449 327 HA TYR 43 HA TYR 43 -15.900 -4.756 -32.460 328 HB2 TYR 43 2HB TYR 43 -15.616 -3.732 -30.336 329 HB3 TYR 43 3HB TYR 43 -16.789 -2.743 -31.198 330 HD1 TYR 43 HD1 TYR 43 -19.303 -3.322 -30.738 331 HD2 TYR 43 HD2 TYR 43 -16.090 -4.417 -28.174 332 HE1 TYR 43 HE1 TYR 43 -20.885 -3.560 -28.870 333 HE2 TYR 43 HE2 TYR 43 -17.663 -4.660 -26.298 334 HH TYR 43 HH TYR 43 -19.879 -3.849 -25.638 335 H HIS 44 H HIS 44 -18.784 -6.036 -30.931 336 HA HIS 44 HA HIS 44 -17.539 -7.926 -29.252 337 HB2 HIS 44 2HB HIS 44 -20.112 -7.098 -29.644 338 HB3 HIS 44 3HB HIS 44 -20.150 -8.701 -30.372 339 HD1 HIS 44 HD1 HIS 44 -18.996 -7.137 -27.097 340 HD2 HIS 44 HD2 HIS 44 -20.642 -10.655 -28.572 341 HE1 HIS 44 HE1 HIS 44 -19.426 -8.576 -25.079 342 H THR 45 H THR 45 -18.576 -8.051 -32.615 343 HA THR 45 HA THR 45 -17.864 -10.851 -32.865 344 HB THR 45 HB THR 45 -18.364 -10.347 -35.358 345 HG1 THR 45 HG1 THR 45 -18.804 -8.323 -35.753 346 HG21 THR 45 3HG2 THR 45 -20.931 -10.086 -34.601 347 HG22 THR 45 1HG2 THR 45 -20.216 -10.562 -33.061 348 HG23 THR 45 2HG2 THR 45 -20.037 -11.601 -34.476 349 H VAL 46 H VAL 46 -16.258 -7.902 -33.012 350 HA VAL 46 HA VAL 46 -14.278 -8.777 -34.965 351 HB VAL 46 HB VAL 46 -14.454 -6.211 -33.380 352 HG11 VAL 46 1HG1 VAL 46 -12.333 -7.362 -34.985 353 HG12 VAL 46 2HG1 VAL 46 -12.853 -5.792 -35.600 354 HG13 VAL 46 3HG1 VAL 46 -12.310 -5.950 -33.929 355 HG21 VAL 46 3HG2 VAL 46 -14.755 -6.127 -36.289 356 HG22 VAL 46 1HG2 VAL 46 -16.042 -7.000 -35.457 357 HG23 VAL 46 2HG2 VAL 46 -15.691 -5.325 -35.028 358 H ILE 47 H ILE 47 -14.328 -7.699 -31.568 359 HA ILE 47 HA ILE 47 -11.887 -9.295 -31.132 360 HB ILE 47 HB ILE 47 -11.435 -7.682 -29.220 361 HG12 ILE 47 2HG1 ILE 47 -13.456 -6.038 -30.759 362 HG13 ILE 47 3HG1 ILE 47 -13.644 -6.642 -29.117 363 HG21 ILE 47 1HG2 ILE 47 -10.350 -6.050 -30.684 364 HG22 ILE 47 2HG2 ILE 47 -10.136 -7.695 -31.281 365 HG23 ILE 47 3HG2 ILE 47 -11.315 -6.627 -32.043 366 HD11 ILE 47 3HD1 ILE 47 -11.617 -4.622 -30.046 367 HD12 ILE 47 1HD1 ILE 47 -13.076 -4.292 -29.112 368 HD13 ILE 47 2HD1 ILE 47 -11.769 -5.241 -28.402 369 H LYS 48 H LYS 48 -15.046 -8.381 -29.989 370 HA LYS 48 HA LYS 48 -16.471 -9.453 -28.559 371 HB2 LYS 48 2HB LYS 48 -14.987 -11.500 -29.375 372 HB3 LYS 48 3HB LYS 48 -14.415 -11.440 -27.713 373 HG2 LYS 48 2HG LYS 48 -16.550 -11.891 -26.847 374 HG3 LYS 48 3HG LYS 48 -17.336 -11.544 -28.389 375 HD2 LYS 48 2HD LYS 48 -15.316 -13.708 -28.380 376 HD3 LYS 48 3HD LYS 48 -16.830 -14.032 -27.531 377 HE2 LYS 48 2HE LYS 48 -17.537 -12.817 -29.962 378 HE3 LYS 48 3HE LYS 48 -16.290 -14.000 -30.353 379 HZ1 LYS 48 3HZ LYS 48 -18.573 -14.904 -30.410 380 HZ2 LYS 48 1HZ LYS 48 -18.716 -14.603 -28.751 381 HZ3 LYS 48 2HZ LYS 48 -17.569 -15.712 -29.314 382 H ARG 49 H ARG 49 -13.185 -9.747 -27.193 383 HA ARG 49 HA ARG 49 -14.198 -8.536 -24.714 384 HB2 ARG 49 2HB ARG 49 -11.970 -10.441 -25.314 385 HB3 ARG 49 3HB ARG 49 -11.868 -9.421 -23.886 386 HG2 ARG 49 2HG ARG 49 -12.967 -11.065 -22.861 387 HG3 ARG 49 3HG ARG 49 -14.395 -10.433 -23.682 388 HD2 ARG 49 2HD ARG 49 -13.671 -11.971 -25.627 389 HD3 ARG 49 3HD ARG 49 -12.676 -12.775 -24.413 390 HE ARG 49 HE ARG 49 -15.323 -12.519 -23.470 391 HH11 ARG 49 1HH1 ARG 49 -13.421 -14.296 -25.782 392 HH12 ARG 49 2HH1 ARG 49 -14.453 -15.687 -25.758 393 HH21 ARG 49 1HH2 ARG 49 -16.690 -14.344 -23.430 394 HH22 ARG 49 2HH2 ARG 49 -16.313 -15.713 -24.420 395 HA PRO 50 HA PRO 50 -11.857 -5.027 -26.419 396 HB2 PRO 50 2HB PRO 50 -13.194 -3.166 -24.964 397 HB3 PRO 50 3HB PRO 50 -13.819 -3.832 -26.477 398 HG2 PRO 50 2HG PRO 50 -14.504 -4.568 -23.658 399 HG3 PRO 50 3HG PRO 50 -15.580 -4.348 -25.049 400 HD2 PRO 50 2HD PRO 50 -14.803 -6.792 -24.181 401 HD3 PRO 50 3HD PRO 50 -15.126 -6.445 -25.892 402 H VAL 51 H VAL 51 -11.173 -2.938 -24.927 403 HA VAL 51 HA VAL 51 -10.056 -3.954 -22.411 404 HB VAL 51 HB VAL 51 -8.298 -4.217 -24.096 405 HG11 VAL 51 1HG1 VAL 51 -8.216 -1.245 -24.454 406 HG12 VAL 51 2HG1 VAL 51 -7.498 -2.511 -25.453 407 HG13 VAL 51 3HG1 VAL 51 -9.243 -2.249 -25.478 408 HG21 VAL 51 3HG2 VAL 51 -7.976 -3.263 -21.651 409 HG22 VAL 51 1HG2 VAL 51 -6.619 -3.421 -22.766 410 HG23 VAL 51 2HG2 VAL 51 -7.392 -1.853 -22.535 411 H ASP 52 H ASP 52 -10.244 -2.555 -20.780 412 HA ASP 52 HA ASP 52 -10.691 0.286 -21.417 413 HB2 ASP 52 2HB ASP 52 -11.976 -0.806 -18.978 414 HB3 ASP 52 3HB ASP 52 -12.551 0.421 -20.104 415 H LEU 53 H LEU 53 -10.050 1.791 -19.774 416 HA LEU 53 HA LEU 53 -7.621 0.997 -18.459 417 HB2 LEU 53 2HB LEU 53 -7.559 3.136 -19.401 418 HB3 LEU 53 3HB LEU 53 -9.128 3.574 -18.729 419 HG LEU 53 HG LEU 53 -8.096 3.640 -16.477 420 HD11 LEU 53 1HD1 LEU 53 -5.511 3.281 -17.986 421 HD12 LEU 53 2HD1 LEU 53 -6.248 2.092 -16.912 422 HD13 LEU 53 3HD1 LEU 53 -5.677 3.630 -16.265 423 HD21 LEU 53 3HD2 LEU 53 -8.063 5.533 -18.434 424 HD22 LEU 53 1HD2 LEU 53 -6.363 5.474 -17.967 425 HD23 LEU 53 2HD2 LEU 53 -7.600 5.809 -16.754 426 H SER 54 H SER 54 -10.839 2.070 -17.428 427 HA SER 54 HA SER 54 -10.285 2.001 -14.650 428 HB2 SER 54 2HB SER 54 -12.181 3.227 -14.960 429 HB3 SER 54 3HB SER 54 -12.693 2.276 -16.354 430 HG SER 54 HG SER 54 -14.008 1.333 -15.029 431 H SER 55 H SER 55 -11.541 -0.369 -16.931 432 HA SER 55 HA SER 55 -12.382 -2.314 -15.101 433 HB2 SER 55 2HB SER 55 -13.062 -2.623 -17.340 434 HB3 SER 55 3HB SER 55 -11.415 -2.472 -17.951 435 HG SER 55 HG SER 55 -10.987 -4.495 -17.362 436 H ILE 56 H ILE 56 -9.237 -1.844 -16.677 437 HA ILE 56 HA ILE 56 -7.964 -4.100 -15.590 438 HB ILE 56 HB ILE 56 -6.767 -1.467 -16.459 439 HG12 ILE 56 2HG1 ILE 56 -6.743 -4.073 -17.968 440 HG13 ILE 56 3HG1 ILE 56 -8.082 -2.941 -18.118 441 HG21 ILE 56 1HG2 ILE 56 -5.442 -4.115 -15.889 442 HG22 ILE 56 2HG2 ILE 56 -4.656 -2.734 -16.652 443 HG23 ILE 56 3HG2 ILE 56 -5.231 -2.612 -14.990 444 HD11 ILE 56 3HD1 ILE 56 -6.904 -2.056 -19.783 445 HD12 ILE 56 1HD1 ILE 56 -5.908 -1.334 -18.519 446 HD13 ILE 56 2HD1 ILE 56 -5.415 -2.850 -19.273 447 H ARG 57 H ARG 57 -8.060 -0.727 -14.474 448 HA ARG 57 HA ARG 57 -6.399 -1.021 -12.247 449 HB2 ARG 57 2HB ARG 57 -7.179 1.149 -13.199 450 HB3 ARG 57 3HB ARG 57 -8.765 0.841 -12.505 451 HG2 ARG 57 2HG ARG 57 -6.415 0.759 -10.695 452 HG3 ARG 57 3HG ARG 57 -6.969 2.330 -11.277 453 HD2 ARG 57 2HD ARG 57 -9.322 1.266 -10.560 454 HD3 ARG 57 3HD ARG 57 -8.265 0.415 -9.434 455 HE ARG 57 HE ARG 57 -8.970 3.199 -9.382 456 HH11 ARG 57 1HH1 ARG 57 -6.593 0.834 -8.446 457 HH12 ARG 57 2HH1 ARG 57 -5.980 1.780 -7.130 458 HH21 ARG 57 1HH2 ARG 57 -8.171 4.454 -7.653 459 HH22 ARG 57 2HH2 ARG 57 -6.879 3.838 -6.680 460 H ASP 58 H ASP 58 -9.868 -1.546 -12.623 461 HA ASP 58 HA ASP 58 -10.362 -2.036 -9.857 462 HB2 ASP 58 2HB ASP 58 -12.150 -1.315 -11.372 463 HB3 ASP 58 3HB ASP 58 -11.983 -2.808 -12.292 464 H GLY 59 H GLY 59 -9.631 -4.069 -12.645 465 HA2 GLY 59 2HA GLY 59 -10.144 -6.565 -11.446 466 HA3 GLY 59 3HA GLY 59 -9.070 -6.289 -12.809 467 H ILE 60 H ILE 60 -7.155 -4.659 -11.642 468 HA ILE 60 HA ILE 60 -5.452 -6.531 -10.450 469 HB ILE 60 HB ILE 60 -5.309 -3.516 -10.418 470 HG12 ILE 60 2HG1 ILE 60 -5.217 -4.485 -12.657 471 HG13 ILE 60 3HG1 ILE 60 -3.638 -3.853 -12.204 472 HG21 ILE 60 1HG2 ILE 60 -2.767 -4.230 -10.095 473 HG22 ILE 60 2HG2 ILE 60 -3.848 -3.942 -8.733 474 HG23 ILE 60 3HG2 ILE 60 -3.531 -5.591 -9.274 475 HD11 ILE 60 3HD1 ILE 60 -3.386 -5.962 -13.325 476 HD12 ILE 60 1HD1 ILE 60 -2.924 -6.137 -11.632 477 HD13 ILE 60 2HD1 ILE 60 -4.487 -6.737 -12.186 478 H GLU 61 H GLU 61 -7.312 -3.876 -8.988 479 HA GLU 61 HA GLU 61 -6.453 -4.357 -6.338 480 HB2 GLU 61 2HB GLU 61 -7.375 -2.221 -6.831 481 HB3 GLU 61 3HB GLU 61 -8.848 -2.928 -7.479 482 HG2 GLU 61 2HG GLU 61 -9.268 -1.955 -5.314 483 HG3 GLU 61 3HG GLU 61 -9.456 -3.706 -5.241 484 H LYS 62 H LYS 62 -9.006 -5.696 -8.305 485 HA LYS 62 HA LYS 62 -10.367 -6.971 -6.117 486 HB2 LYS 62 2HB LYS 62 -10.589 -7.258 -9.114 487 HB3 LYS 62 3HB LYS 62 -11.576 -8.177 -7.985 488 HG2 LYS 62 2HG LYS 62 -11.496 -5.191 -7.852 489 HG3 LYS 62 3HG LYS 62 -12.528 -6.019 -9.020 490 HD2 LYS 62 2HD LYS 62 -13.574 -7.269 -7.168 491 HD3 LYS 62 3HD LYS 62 -12.577 -6.369 -6.022 492 HE2 LYS 62 2HE LYS 62 -13.634 -4.312 -6.608 493 HE3 LYS 62 3HE LYS 62 -14.468 -5.061 -7.969 494 HZ1 LYS 62 3HZ LYS 62 -15.911 -6.188 -6.565 495 HZ2 LYS 62 1HZ LYS 62 -15.770 -4.674 -5.824 496 HZ3 LYS 62 2HZ LYS 62 -14.920 -5.999 -5.207 497 H GLY 63 H GLY 63 -7.720 -7.734 -8.201 498 HA2 GLY 63 2HA GLY 63 -6.165 -9.450 -7.772 499 HA3 GLY 63 3HA GLY 63 -7.372 -10.267 -6.790 500 H THR 64 H THR 64 -8.119 -9.078 -9.980 501 HA THR 64 HA THR 64 -9.309 -11.311 -10.965 502 HB THR 64 HB THR 64 -7.603 -9.406 -12.580 503 HG1 THR 64 HG1 THR 64 -10.417 -9.306 -12.274 504 HG21 THR 64 3HG2 THR 64 -8.056 -11.245 -13.981 505 HG22 THR 64 1HG2 THR 64 -9.293 -10.055 -14.383 506 HG23 THR 64 2HG2 THR 64 -9.692 -11.429 -13.351 507 H TYR 65 H TYR 65 -5.855 -10.520 -11.274 508 HA TYR 65 HA TYR 65 -5.108 -12.789 -12.736 509 HB2 TYR 65 2HB TYR 65 -3.556 -11.017 -10.851 510 HB3 TYR 65 3HB TYR 65 -2.806 -12.325 -11.759 511 HD1 TYR 65 HD1 TYR 65 -4.253 -12.067 -14.348 512 HD2 TYR 65 HD2 TYR 65 -2.593 -9.101 -11.789 513 HE1 TYR 65 HE1 TYR 65 -3.970 -10.569 -16.278 514 HE2 TYR 65 HE2 TYR 65 -2.306 -7.594 -13.711 515 HH TYR 65 HH TYR 65 -3.736 -7.590 -16.275 516 H ALA 66 H ALA 66 -5.378 -14.833 -12.154 517 HA ALA 66 HA ALA 66 -5.457 -15.580 -9.347 518 HB1 ALA 66 1HB ALA 66 -5.854 -17.289 -11.800 519 HB2 ALA 66 2HB ALA 66 -6.201 -17.749 -10.132 520 HB3 ALA 66 3HB ALA 66 -7.136 -16.470 -10.906 521 H THR 67 H THR 67 -3.422 -16.046 -12.174 522 HA THR 67 HA THR 67 -1.143 -16.646 -10.574 523 HB THR 67 HB THR 67 -1.175 -18.931 -12.235 524 HG1 THR 67 HG1 THR 67 -3.060 -19.984 -11.437 525 HG21 THR 67 3HG2 THR 67 -1.251 -20.100 -9.978 526 HG22 THR 67 1HG2 THR 67 -1.382 -18.494 -9.263 527 HG23 THR 67 2HG2 THR 67 0.043 -18.925 -10.208 528 H ASP 68 H ASP 68 0.598 -17.722 -12.250 529 HA ASP 68 HA ASP 68 1.198 -15.684 -14.068 530 HB2 ASP 68 2HB ASP 68 2.853 -17.275 -13.094 531 HB3 ASP 68 3HB ASP 68 2.208 -18.535 -14.143 532 H VAL 69 H VAL 69 -0.516 -18.720 -14.482 533 HA VAL 69 HA VAL 69 -0.558 -18.754 -17.304 534 HB VAL 69 HB VAL 69 -2.540 -19.944 -15.359 535 HG11 VAL 69 1HG1 VAL 69 -2.083 -20.536 -18.282 536 HG12 VAL 69 2HG1 VAL 69 -3.165 -21.426 -17.209 537 HG13 VAL 69 3HG1 VAL 69 -3.493 -19.735 -17.590 538 HG21 VAL 69 3HG2 VAL 69 -0.578 -21.025 -14.840 539 HG22 VAL 69 1HG2 VAL 69 -1.191 -22.053 -16.135 540 HG23 VAL 69 2HG2 VAL 69 0.069 -20.866 -16.473 541 H ASP 70 H ASP 70 -2.909 -17.550 -14.926 542 HA ASP 70 HA ASP 70 -4.830 -16.672 -16.783 543 HB2 ASP 70 2HB ASP 70 -4.836 -16.899 -14.119 544 HB3 ASP 70 3HB ASP 70 -4.505 -15.173 -14.233 545 H VAL 71 H VAL 71 -2.031 -15.070 -15.351 546 HA VAL 71 HA VAL 71 -2.562 -12.485 -16.361 547 HB VAL 71 HB VAL 71 0.057 -13.765 -15.571 548 HG11 VAL 71 1HG1 VAL 71 0.778 -11.333 -15.336 549 HG12 VAL 71 2HG1 VAL 71 0.662 -11.979 -16.975 550 HG13 VAL 71 3HG1 VAL 71 -0.616 -10.940 -16.343 551 HG21 VAL 71 3HG2 VAL 71 -2.107 -13.022 -14.014 552 HG22 VAL 71 1HG2 VAL 71 -0.454 -13.280 -13.455 553 HG23 VAL 71 2HG2 VAL 71 -0.999 -11.657 -13.878 554 H GLN 72 H GLN 72 -0.659 -15.197 -17.613 555 HA GLN 72 HA GLN 72 0.406 -13.877 -19.854 556 HB2 GLN 72 2HB GLN 72 1.374 -15.950 -19.163 557 HB3 GLN 72 3HB GLN 72 -0.162 -16.792 -19.324 558 HG2 GLN 72 2HG GLN 72 0.668 -15.539 -21.802 559 HG3 GLN 72 3HG GLN 72 1.860 -16.686 -21.194 560 HE21 GLN 72 1HE2 GLN 72 0.101 -16.821 -23.536 561 HE22 GLN 72 2HE2 GLN 72 -0.807 -18.280 -23.358 562 H ASN 73 H ASN 73 -2.505 -15.883 -19.499 563 HA ASN 73 HA ASN 73 -3.328 -15.736 -22.184 564 HB2 ASN 73 2HB ASN 73 -4.393 -17.416 -20.980 565 HB3 ASN 73 3HB ASN 73 -4.707 -16.368 -19.599 566 HD21 ASN 73 1HD2 ASN 73 -6.831 -16.345 -19.367 567 HD22 ASN 73 2HD2 ASN 73 -7.976 -15.997 -20.613 568 H ASP 74 H ASP 74 -4.055 -13.708 -19.380 569 HA ASP 74 HA ASP 74 -5.997 -12.076 -20.577 570 HB2 ASP 74 2HB ASP 74 -5.221 -12.260 -18.090 571 HB3 ASP 74 3HB ASP 74 -4.075 -11.000 -18.540 572 H VAL 75 H VAL 75 -2.486 -11.598 -20.247 573 HA VAL 75 HA VAL 75 -2.355 -9.134 -21.583 574 HB VAL 75 HB VAL 75 -0.217 -11.264 -21.446 575 HG11 VAL 75 1HG1 VAL 75 1.212 -9.080 -21.524 576 HG12 VAL 75 2HG1 VAL 75 0.586 -9.782 -23.017 577 HG13 VAL 75 3HG1 VAL 75 -0.226 -8.399 -22.282 578 HG21 VAL 75 3HG2 VAL 75 0.159 -9.071 -19.640 579 HG22 VAL 75 1HG2 VAL 75 -1.421 -9.805 -19.368 580 HG23 VAL 75 2HG2 VAL 75 0.036 -10.795 -19.288 581 H ALA 76 H ALA 76 -2.146 -12.454 -22.775 582 HA ALA 76 HA ALA 76 -1.416 -11.856 -25.424 583 HB1 ALA 76 1HB ALA 76 -1.128 -14.074 -25.007 584 HB2 ALA 76 2HB ALA 76 -2.594 -14.196 -24.032 585 HB3 ALA 76 3HB ALA 76 -2.707 -14.144 -25.791 586 H ARG 77 H ARG 77 -4.572 -12.143 -23.858 587 HA ARG 77 HA ARG 77 -6.093 -11.877 -26.245 588 HB2 ARG 77 2HB ARG 77 -6.606 -12.292 -23.470 589 HB3 ARG 77 3HB ARG 77 -7.584 -10.934 -24.010 590 HG2 ARG 77 2HG ARG 77 -7.527 -13.461 -25.599 591 HG3 ARG 77 3HG ARG 77 -8.533 -13.336 -24.155 592 HD2 ARG 77 2HD ARG 77 -10.073 -12.495 -25.550 593 HD3 ARG 77 3HD ARG 77 -9.128 -11.011 -25.439 594 HE ARG 77 HE ARG 77 -8.436 -11.324 -27.605 595 HH11 ARG 77 1HH1 ARG 77 -9.909 -14.249 -26.424 596 HH12 ARG 77 2HH1 ARG 77 -9.924 -15.022 -27.975 597 HH21 ARG 77 1HH2 ARG 77 -8.451 -12.330 -29.651 598 HH22 ARG 77 2HH2 ARG 77 -9.094 -13.930 -29.809 599 H MET 78 H MET 78 -4.823 -9.609 -23.880 600 HA MET 78 HA MET 78 -6.267 -7.340 -24.758 601 HB2 MET 78 2HB MET 78 -3.594 -7.505 -23.355 602 HB3 MET 78 3HB MET 78 -4.555 -6.043 -23.533 603 HG2 MET 78 2HG MET 78 -6.061 -8.229 -22.361 604 HG3 MET 78 3HG MET 78 -4.631 -7.805 -21.423 605 HE1 MET 78 3HE MET 78 -6.255 -6.101 -19.090 606 HE2 MET 78 1HE MET 78 -7.795 -6.609 -19.785 607 HE3 MET 78 2HE MET 78 -6.417 -7.710 -19.796 608 H ILE 79 H ILE 79 -3.013 -8.541 -25.529 609 HA ILE 79 HA ILE 79 -2.372 -6.441 -27.322 610 HB ILE 79 HB ILE 79 -0.550 -7.909 -28.101 611 HG12 ILE 79 2HG1 ILE 79 -1.877 -9.936 -26.291 612 HG13 ILE 79 3HG1 ILE 79 -1.664 -10.059 -28.034 613 HG21 ILE 79 1HG2 ILE 79 -0.283 -6.540 -26.084 614 HG22 ILE 79 2HG2 ILE 79 -0.868 -7.883 -25.103 615 HG23 ILE 79 3HG2 ILE 79 0.649 -8.034 -25.990 616 HD11 ILE 79 3HD1 ILE 79 0.150 -11.247 -27.560 617 HD12 ILE 79 1HD1 ILE 79 0.901 -9.712 -27.125 618 HD13 ILE 79 2HD1 ILE 79 0.163 -10.718 -25.878 619 H THR 80 H THR 80 -3.870 -9.600 -27.723 620 HA THR 80 HA THR 80 -3.795 -9.684 -30.545 621 HB THR 80 HB THR 80 -5.716 -11.014 -28.625 622 HG1 THR 80 HG1 THR 80 -3.360 -11.943 -29.940 623 HG21 THR 80 3HG2 THR 80 -6.798 -11.050 -30.722 624 HG22 THR 80 1HG2 THR 80 -6.003 -12.617 -30.585 625 HG23 THR 80 2HG2 THR 80 -5.290 -11.351 -31.585 626 H ASN 81 H ASN 81 -6.311 -8.612 -28.273 627 HA ASN 81 HA ASN 81 -8.173 -7.881 -30.289 628 HB2 ASN 81 2HB ASN 81 -9.561 -7.358 -28.566 629 HB3 ASN 81 3HB ASN 81 -8.366 -8.239 -27.619 630 HD21 ASN 81 1HD2 ASN 81 -9.533 -5.084 -28.543 631 HD22 ASN 81 2HD2 ASN 81 -8.783 -4.213 -27.253 632 H ALA 82 H ALA 82 -5.620 -6.170 -28.587 633 HA ALA 82 HA ALA 82 -6.312 -3.559 -29.424 634 HB1 ALA 82 1HB ALA 82 -3.683 -4.731 -28.535 635 HB2 ALA 82 2HB ALA 82 -3.946 -3.013 -28.838 636 HB3 ALA 82 3HB ALA 82 -4.845 -3.831 -27.559 637 H LEU 83 H LEU 83 -4.127 -6.005 -30.770 638 HA LEU 83 HA LEU 83 -3.220 -4.365 -32.916 639 HB2 LEU 83 2HB LEU 83 -1.770 -6.090 -32.354 640 HB3 LEU 83 3HB LEU 83 -3.066 -7.282 -32.271 641 HG LEU 83 HG LEU 83 -2.471 -6.088 -34.924 642 HD11 LEU 83 1HD1 LEU 83 -0.288 -6.747 -33.627 643 HD12 LEU 83 2HD1 LEU 83 -0.513 -7.209 -35.313 644 HD13 LEU 83 3HD1 LEU 83 -0.800 -8.386 -34.032 645 HD21 LEU 83 3HD2 LEU 83 -3.750 -7.779 -35.578 646 HD22 LEU 83 1HD2 LEU 83 -3.992 -8.213 -33.886 647 HD23 LEU 83 2HD2 LEU 83 -2.673 -8.942 -34.802 648 H GLU 84 H GLU 84 -5.821 -6.693 -32.514 649 HA GLU 84 HA GLU 84 -6.518 -6.963 -35.230 650 HB2 GLU 84 2HB GLU 84 -7.414 -8.583 -33.789 651 HB3 GLU 84 3HB GLU 84 -8.008 -7.378 -32.655 652 HG2 GLU 84 2HG GLU 84 -9.892 -6.963 -33.860 653 HG3 GLU 84 3HG GLU 84 -9.131 -7.364 -35.399 654 H TYR 85 H TYR 85 -7.421 -4.625 -32.766 655 HA TYR 85 HA TYR 85 -9.338 -3.327 -34.515 656 HB2 TYR 85 2HB TYR 85 -9.951 -3.374 -32.211 657 HB3 TYR 85 3HB TYR 85 -8.383 -2.750 -31.711 658 HD1 TYR 85 HD2 TYR 85 -11.154 -1.718 -34.008 659 HD2 TYR 85 HD1 TYR 85 -8.362 -0.560 -31.013 660 HE1 TYR 85 HE2 TYR 85 -12.052 0.571 -34.064 661 HE2 TYR 85 HE1 TYR 85 -9.254 1.732 -31.060 662 HH TYR 85 HH TYR 85 -10.531 3.173 -32.911 663 H ASN 86 H ASN 86 -6.093 -2.790 -33.271 664 HA ASN 86 HA ASN 86 -5.871 -0.160 -34.423 665 HB2 ASN 86 2HB ASN 86 -3.887 -2.011 -33.101 666 HB3 ASN 86 3HB ASN 86 -3.425 -0.451 -33.776 667 HD21 ASN 86 1HD2 ASN 86 -5.422 1.186 -33.084 668 HD22 ASN 86 2HD2 ASN 86 -5.564 1.296 -31.366 669 H ALA 87 H ALA 87 -5.924 -3.154 -35.757 670 HA ALA 87 HA ALA 87 -3.745 -3.065 -37.572 671 HB1 ALA 87 1HB ALA 87 -6.188 -4.700 -37.246 672 HB2 ALA 87 2HB ALA 87 -5.461 -4.666 -38.853 673 HB3 ALA 87 3HB ALA 87 -4.509 -5.194 -37.467 674 H LYS 88 H LYS 88 -3.634 -1.132 -38.656 675 HA LYS 88 HA LYS 88 -5.066 -0.845 -41.033 676 HB2 LYS 88 2HB LYS 88 -6.537 0.075 -38.819 677 HB3 LYS 88 3HB LYS 88 -5.931 1.518 -39.620 678 HG2 LYS 88 2HG LYS 88 -6.823 0.197 -41.760 679 HG3 LYS 88 3HG LYS 88 -7.902 -0.480 -40.539 680 HD2 LYS 88 2HD LYS 88 -8.373 1.913 -39.837 681 HD3 LYS 88 3HD LYS 88 -7.546 2.406 -41.317 682 HE2 LYS 88 2HE LYS 88 -9.336 0.441 -42.132 683 HE3 LYS 88 3HE LYS 88 -10.231 1.386 -40.943 684 HZ1 LYS 88 3HZ LYS 88 -10.620 2.746 -42.654 685 HZ2 LYS 88 1HZ LYS 88 -9.360 2.115 -43.591 686 HZ3 LYS 88 2HZ LYS 88 -9.036 3.294 -42.422 687 H GLY 89 H GLY 89 -4.054 0.578 -42.372 688 HA2 GLY 89 2HA GLY 89 -2.860 2.637 -42.764 689 HA3 GLY 89 3HA GLY 89 -2.173 2.491 -41.153 690 H SER 90 H SER 90 -2.128 -0.534 -42.424 691 HA SER 90 HA SER 90 -0.561 -1.855 -43.430 692 HB2 SER 90 2HB SER 90 0.941 0.569 -44.383 693 HB3 SER 90 3HB SER 90 0.787 -1.012 -45.150 694 HG SER 90 HG SER 90 -1.421 -0.501 -45.540 695 H THR 91 H THR 91 1.323 1.040 -42.553 696 HA THR 91 HA THR 91 3.448 -0.436 -41.422 697 HB THR 91 HB THR 91 3.038 2.329 -40.447 698 HG1 THR 91 HG1 THR 91 3.467 3.211 -42.495 699 HG21 THR 91 3HG2 THR 91 5.357 1.091 -41.923 700 HG22 THR 91 1HG2 THR 91 5.129 0.942 -40.181 701 HG23 THR 91 2HG2 THR 91 5.367 2.532 -40.907 702 H TRP 92 H TRP 92 0.672 1.230 -39.984 703 HA TRP 92 HA TRP 92 1.329 0.966 -37.300 704 HB2 TRP 92 2HB TRP 92 -0.919 1.781 -38.783 705 HB3 TRP 92 3HB TRP 92 -1.497 0.532 -37.684 706 HD1 TRP 92 HD1 TRP 92 -2.648 1.846 -35.797 707 HE1 TRP 92 HE1 TRP 92 -1.959 3.752 -34.210 708 HE3 TRP 92 HE3 TRP 92 1.888 3.011 -37.848 709 HZ2 TRP 92 HZ2 TRP 92 0.218 5.516 -33.873 710 HZ3 TRP 92 HZ3 TRP 92 3.211 4.821 -36.834 711 HH2 TRP 92 HH2 TRP 92 2.391 6.047 -34.888 712 H TYR 93 H TYR 93 -0.404 -1.304 -39.407 713 HA TYR 93 HA TYR 93 -1.043 -3.237 -37.518 714 HB2 TYR 93 2HB TYR 93 -1.928 -3.298 -39.787 715 HB3 TYR 93 3HB TYR 93 -0.319 -3.604 -40.432 716 HD1 TYR 93 HD2 TYR 93 -2.254 -5.108 -37.607 717 HD2 TYR 93 HD1 TYR 93 -0.215 -5.743 -41.287 718 HE1 TYR 93 HE2 TYR 93 -2.634 -7.528 -37.393 719 HE2 TYR 93 HE1 TYR 93 -0.589 -8.166 -41.083 720 HH TYR 93 HH TYR 93 -1.637 -9.628 -38.214 721 H GLN 94 H GLN 94 1.906 -2.876 -39.454 722 HA GLN 94 HA GLN 94 3.183 -5.214 -38.528 723 HB2 GLN 94 2HB GLN 94 3.742 -3.260 -40.400 724 HB3 GLN 94 3HB GLN 94 4.993 -3.018 -39.188 725 HG2 GLN 94 2HG GLN 94 5.760 -5.262 -39.425 726 HG3 GLN 94 3HG GLN 94 4.389 -5.677 -40.453 727 HE21 GLN 94 1HE2 GLN 94 7.551 -5.168 -40.556 728 HE22 GLN 94 2HE2 GLN 94 7.726 -4.508 -42.142 729 H GLU 95 H GLU 95 3.154 -1.889 -37.353 730 HA GLU 95 HA GLU 95 5.188 -2.134 -35.435 731 HB2 GLU 95 2HB GLU 95 4.440 0.050 -36.031 732 HB3 GLU 95 3HB GLU 95 2.779 -0.328 -35.596 733 HG2 GLU 95 2HG GLU 95 4.896 -0.465 -33.506 734 HG3 GLU 95 3HG GLU 95 4.281 1.106 -34.017 735 H ALA 96 H ALA 96 1.676 -2.582 -35.164 736 HA ALA 96 HA ALA 96 1.670 -3.197 -32.404 737 HB1 ALA 96 1HB ALA 96 -0.253 -3.274 -34.616 738 HB2 ALA 96 2HB ALA 96 -0.550 -4.457 -33.341 739 HB3 ALA 96 3HB ALA 96 -0.459 -2.740 -32.947 740 H MET 97 H MET 97 1.844 -5.210 -35.311 741 HA MET 97 HA MET 97 1.709 -7.696 -33.956 742 HB2 MET 97 2HB MET 97 1.413 -7.103 -36.494 743 HB3 MET 97 3HB MET 97 3.148 -7.379 -36.563 744 HG2 MET 97 2HG MET 97 1.786 -9.505 -35.157 745 HG3 MET 97 3HG MET 97 1.145 -9.277 -36.783 746 HE1 MET 97 3HE MET 97 2.373 -12.103 -36.450 747 HE2 MET 97 1HE MET 97 4.117 -12.184 -36.200 748 HE3 MET 97 2HE MET 97 3.083 -11.455 -34.971 749 H SER 98 H SER 98 4.360 -5.579 -34.886 750 HA SER 98 HA SER 98 6.450 -7.404 -34.286 751 HB2 SER 98 2HB SER 98 6.400 -4.390 -34.513 752 HB3 SER 98 3HB SER 98 7.876 -5.316 -34.243 753 HG SER 98 HG SER 98 6.609 -4.840 -36.541 754 H PHE 99 H PHE 99 4.862 -4.834 -32.441 755 HA PHE 99 HA PHE 99 6.522 -5.071 -30.150 756 HB2 PHE 99 2HB PHE 99 4.247 -3.499 -30.968 757 HB3 PHE 99 3HB PHE 99 4.017 -4.085 -29.324 758 HD1 PHE 99 HD2 PHE 99 6.201 -3.847 -27.807 759 HD2 PHE 99 HD1 PHE 99 5.304 -1.488 -31.234 760 HE1 PHE 99 HE2 PHE 99 7.681 -2.071 -26.967 761 HE2 PHE 99 HE1 PHE 99 6.783 0.293 -30.400 762 HZ PHE 99 HZ PHE 99 7.974 0.003 -28.263 763 H ARG 100 H ARG 100 3.483 -6.554 -31.126 764 HA ARG 100 HA ARG 100 2.842 -7.753 -28.658 765 HB2 ARG 100 2HB ARG 100 1.143 -7.585 -30.331 766 HB3 ARG 100 3HB ARG 100 2.118 -8.470 -31.497 767 HG2 ARG 100 2HG ARG 100 1.570 -9.948 -29.034 768 HG3 ARG 100 3HG ARG 100 0.134 -9.539 -29.976 769 HD2 ARG 100 2HD ARG 100 1.264 -10.501 -31.979 770 HD3 ARG 100 3HD ARG 100 2.572 -11.036 -30.925 771 HE ARG 100 HE ARG 100 0.292 -12.057 -29.802 772 HH11 ARG 100 1HH1 ARG 100 1.850 -12.269 -32.909 773 HH12 ARG 100 2HH1 ARG 100 1.260 -13.864 -33.241 774 HH21 ARG 100 1HH2 ARG 100 -0.489 -14.157 -30.228 775 HH22 ARG 100 2HH2 ARG 100 -0.071 -14.936 -31.716 776 H LYS 101 H LYS 101 5.120 -8.571 -31.124 777 HA LYS 101 HA LYS 101 5.407 -11.329 -30.532 778 HB2 LYS 101 2HB LYS 101 6.216 -10.557 -32.634 779 HB3 LYS 101 3HB LYS 101 7.215 -9.324 -31.875 780 HG2 LYS 101 2HG LYS 101 7.769 -12.140 -31.155 781 HG3 LYS 101 3HG LYS 101 8.203 -11.616 -32.783 782 HD2 LYS 101 2HD LYS 101 9.936 -10.411 -32.041 783 HD3 LYS 101 3HD LYS 101 8.989 -9.705 -30.729 784 HE2 LYS 101 2HE LYS 101 9.760 -11.181 -29.227 785 HE3 LYS 101 3HE LYS 101 9.614 -12.536 -30.346 786 HZ1 LYS 101 3HZ LYS 101 11.676 -11.382 -31.436 787 HZ2 LYS 101 1HZ LYS 101 11.863 -12.421 -30.114 788 HZ3 LYS 101 2HZ LYS 101 11.886 -10.746 -29.882 789 H THR 102 H THR 102 6.558 -8.446 -29.026 790 HA THR 102 HA THR 102 8.312 -10.049 -27.281 791 HB THR 102 HB THR 102 9.625 -8.394 -28.436 792 HG1 THR 102 HG1 THR 102 10.612 -7.895 -26.630 793 HG21 THR 102 3HG2 THR 102 8.023 -6.802 -29.153 794 HG22 THR 102 1HG2 THR 102 9.100 -5.942 -28.054 795 HG23 THR 102 2HG2 THR 102 7.509 -6.465 -27.501 796 H TYR 103 H TYR 103 5.412 -8.380 -27.433 797 HA TYR 103 HA TYR 103 5.266 -7.133 -24.925 798 HB2 TYR 103 2HB TYR 103 3.638 -7.008 -26.932 799 HB3 TYR 103 3HB TYR 103 2.896 -8.443 -26.235 800 HD1 TYR 103 HD2 TYR 103 2.512 -8.160 -23.553 801 HD2 TYR 103 HD1 TYR 103 2.629 -5.009 -26.410 802 HE1 TYR 103 HE2 TYR 103 1.190 -6.744 -22.038 803 HE2 TYR 103 HE1 TYR 103 1.308 -3.585 -24.902 804 HH TYR 103 HH TYR 103 -0.498 -4.519 -22.603 805 H LEU 104 H LEU 104 4.132 -10.363 -25.921 806 HA LEU 104 HA LEU 104 3.420 -11.156 -23.284 807 HB2 LEU 104 2HB LEU 104 3.370 -13.458 -24.313 808 HB3 LEU 104 3HB LEU 104 2.311 -12.251 -25.040 809 HG LEU 104 HG LEU 104 4.820 -12.286 -26.427 810 HD11 LEU 104 1HD1 LEU 104 5.062 -14.563 -25.630 811 HD12 LEU 104 2HD1 LEU 104 4.695 -14.553 -27.354 812 HD13 LEU 104 3HD1 LEU 104 3.435 -14.953 -26.188 813 HD21 LEU 104 3HD2 LEU 104 2.127 -13.227 -27.384 814 HD22 LEU 104 1HD2 LEU 104 3.437 -12.521 -28.332 815 HD23 LEU 104 2HD2 LEU 104 2.538 -11.522 -27.190 816 H ASP 105 H ASP 105 6.270 -11.639 -25.309 817 HA ASP 105 HA ASP 105 7.636 -13.495 -23.756 818 HB2 ASP 105 2HB ASP 105 8.193 -11.938 -26.018 819 HB3 ASP 105 3HB ASP 105 9.448 -11.521 -24.854 820 H LEU 106 H LEU 106 7.595 -9.959 -23.520 821 HA LEU 106 HA LEU 106 9.483 -9.777 -21.422 822 HB2 LEU 106 2HB LEU 106 7.977 -8.008 -23.002 823 HB3 LEU 106 3HB LEU 106 7.558 -7.648 -21.328 824 HG LEU 106 HG LEU 106 9.326 -6.189 -21.958 825 HD11 LEU 106 1HD1 LEU 106 10.474 -6.453 -20.064 826 HD12 LEU 106 2HD1 LEU 106 11.074 -8.040 -20.543 827 HD13 LEU 106 3HD1 LEU 106 9.479 -7.886 -19.808 828 HD21 LEU 106 3HD2 LEU 106 10.229 -7.227 -23.880 829 HD22 LEU 106 1HD2 LEU 106 10.681 -8.673 -22.978 830 HD23 LEU 106 2HD2 LEU 106 11.538 -7.157 -22.699 831 H ALA 107 H ALA 107 6.139 -10.597 -21.503 832 HA ALA 107 HA ALA 107 6.019 -10.447 -18.561 833 HB1 ALA 107 1HB ALA 107 3.539 -10.662 -20.193 834 HB2 ALA 107 2HB ALA 107 3.801 -9.883 -18.633 835 HB3 ALA 107 3HB ALA 107 4.371 -9.108 -20.111 836 H ARG 108 H ARG 108 7.279 -12.578 -19.049 837 HA ARG 108 HA ARG 108 5.677 -14.725 -18.266 838 HB2 ARG 108 2HB ARG 108 5.673 -14.263 -21.100 839 HB3 ARG 108 3HB ARG 108 6.473 -15.791 -20.759 840 HG2 ARG 108 2HG ARG 108 3.706 -14.991 -19.885 841 HG3 ARG 108 3HG ARG 108 4.118 -16.144 -21.156 842 HD2 ARG 108 2HD ARG 108 5.361 -17.443 -19.358 843 HD3 ARG 108 3HD ARG 108 4.547 -16.402 -18.191 844 HE ARG 108 HE ARG 108 2.594 -17.547 -18.573 845 HH11 ARG 108 1HH1 ARG 108 4.918 -18.357 -21.036 846 HH12 ARG 108 2HH1 ARG 108 3.965 -19.646 -21.694 847 HH21 ARG 108 1HH2 ARG 108 1.331 -19.242 -19.431 848 HH22 ARG 108 2HH2 ARG 108 1.925 -20.148 -20.781 849 H GLN 109 H GLN 109 8.346 -14.571 -20.624 850 HA GLN 109 HA GLN 109 9.873 -16.525 -19.226 851 HB2 GLN 109 2HB GLN 109 10.155 -16.363 -21.593 852 HB3 GLN 109 3HB GLN 109 10.544 -14.651 -21.492 853 HG2 GLN 109 2HG GLN 109 12.613 -15.210 -20.294 854 HG3 GLN 109 3HG GLN 109 12.228 -16.922 -20.461 855 HE21 GLN 109 1HE2 GLN 109 12.577 -17.938 -22.380 856 HE22 GLN 109 2HE2 GLN 109 13.354 -17.192 -23.731 857 H SER 110 H SER 110 9.840 -13.020 -19.307 858 HA SER 110 HA SER 110 12.298 -12.691 -17.884 859 HB2 SER 110 2HB SER 110 10.110 -10.626 -17.989 860 HB3 SER 110 3HB SER 110 11.856 -10.382 -17.939 861 HG SER 110 HG SER 110 11.885 -11.378 -20.070 862 H GLY 111 H GLY 111 8.982 -13.202 -17.000 863 HA2 GLY 111 2HA GLY 111 9.412 -12.384 -14.240 864 HA3 GLY 111 3HA GLY 111 7.910 -12.981 -14.930 Start of MODEL 3 1 H1 MET 1 H MET 1 6.926 -4.064 -2.962 2 HA MET 1 HA MET 1 5.060 -2.562 -4.135 3 HB2 MET 1 2HB MET 1 7.000 -3.485 -6.248 4 HB3 MET 1 3HB MET 1 5.331 -3.082 -6.625 5 HG2 MET 1 2HG MET 1 6.521 -0.986 -5.074 6 HG3 MET 1 3HG MET 1 7.524 -1.354 -6.475 7 HE1 MET 1 3HE MET 1 6.876 0.220 -8.836 8 HE2 MET 1 1HE MET 1 6.026 1.579 -8.101 9 HE3 MET 1 2HE MET 1 7.376 0.823 -7.255 10 H SER 2 H SER 2 4.258 -4.344 -2.754 11 HA SER 2 HA SER 2 3.089 -6.398 -4.389 12 HB2 SER 2 2HB SER 2 5.017 -7.171 -2.186 13 HB3 SER 2 3HB SER 2 3.931 -8.290 -3.009 14 HG SER 2 HG SER 2 6.119 -6.855 -4.082 15 H LYS 3 H LYS 3 3.828 -6.165 -0.914 16 HA LYS 3 HA LYS 3 2.488 -6.125 0.925 17 HB2 LYS 3 2HB LYS 3 0.523 -4.690 -0.866 18 HB3 LYS 3 3HB LYS 3 0.604 -4.617 0.890 19 HG2 LYS 3 2HG LYS 3 2.986 -3.687 0.501 20 HG3 LYS 3 3HG LYS 3 2.410 -3.371 -1.137 21 HD2 LYS 3 2HD LYS 3 0.389 -2.267 0.091 22 HD3 LYS 3 3HD LYS 3 1.506 -2.190 1.456 23 HE2 LYS 3 2HE LYS 3 2.598 -0.468 0.561 24 HE3 LYS 3 3HE LYS 3 2.769 -1.300 -0.984 25 HZ1 LYS 3 3HZ LYS 3 0.955 -0.285 -1.836 26 HZ2 LYS 3 1HZ LYS 3 1.354 0.906 -0.702 27 HZ3 LYS 3 2HZ LYS 3 0.137 -0.217 -0.357 28 H ASN 4 H ASN 4 2.397 -8.537 0.084 29 HA ASN 4 HA ASN 4 -0.302 -9.404 0.564 30 HB2 ASN 4 2HB ASN 4 0.956 -9.680 -2.144 31 HB3 ASN 4 3HB ASN 4 -0.146 -10.925 -1.563 32 HD21 ASN 4 1HD2 ASN 4 -0.219 -8.719 -3.676 33 HD22 ASN 4 2HD2 ASN 4 -1.753 -7.966 -3.419 34 H GLU 5 H GLU 5 -0.388 -11.446 1.411 35 HA GLU 5 HA GLU 5 1.956 -12.540 2.499 36 HB2 GLU 5 2HB GLU 5 -0.789 -13.748 2.134 37 HB3 GLU 5 3HB GLU 5 0.497 -14.500 3.068 38 HG2 GLU 5 2HG GLU 5 0.372 -12.946 4.754 39 HG3 GLU 5 3HG GLU 5 -0.327 -11.711 3.709 40 H ARG 6 H ARG 6 -0.066 -13.654 -0.208 41 HA ARG 6 HA ARG 6 1.555 -15.883 -0.852 42 HB2 ARG 6 2HB ARG 6 0.320 -15.818 -3.038 43 HB3 ARG 6 3HB ARG 6 -0.709 -15.865 -1.613 44 HG2 ARG 6 2HG ARG 6 -0.304 -13.151 -2.178 45 HG3 ARG 6 3HG ARG 6 -0.619 -13.936 -3.726 46 HD2 ARG 6 2HD ARG 6 -2.488 -15.096 -2.106 47 HD3 ARG 6 3HD ARG 6 -2.402 -13.461 -1.453 48 HE ARG 6 HE ARG 6 -3.596 -14.245 -3.902 49 HH11 ARG 6 1HH1 ARG 6 -1.766 -11.679 -2.424 50 HH12 ARG 6 2HH1 ARG 6 -2.386 -10.453 -3.479 51 HH21 ARG 6 1HH2 ARG 6 -4.420 -12.640 -5.297 52 HH22 ARG 6 2HH2 ARG 6 -3.896 -11.000 -5.112 53 H ASP 7 H ASP 7 2.381 -15.986 -3.281 54 HA ASP 7 HA ASP 7 3.687 -13.583 -4.188 55 HB2 ASP 7 2HB ASP 7 5.980 -14.522 -4.023 56 HB3 ASP 7 3HB ASP 7 5.249 -14.223 -2.448 57 H THR 8 H THR 8 1.846 -15.713 -5.136 58 HA THR 8 HA THR 8 3.108 -16.131 -7.705 59 HB THR 8 HB THR 8 2.386 -18.621 -7.621 60 HG1 THR 8 HG1 THR 8 2.452 -17.888 -4.891 61 HG21 THR 8 3HG2 THR 8 4.728 -17.716 -7.760 62 HG22 THR 8 1HG2 THR 8 4.585 -19.288 -6.975 63 HG23 THR 8 2HG2 THR 8 4.806 -17.834 -6.003 64 H SER 9 H SER 9 0.743 -14.780 -6.465 65 HA SER 9 HA SER 9 -1.369 -16.084 -8.055 66 HB2 SER 9 2HB SER 9 -2.326 -16.137 -5.973 67 HB3 SER 9 3HB SER 9 -1.411 -14.743 -5.399 68 HG SER 9 HG SER 9 -3.803 -14.547 -5.870 69 H PHE 10 H PHE 10 0.432 -13.197 -7.467 70 HA PHE 10 HA PHE 10 -1.124 -11.825 -9.560 71 HB2 PHE 10 2HB PHE 10 -0.606 -9.693 -8.471 72 HB3 PHE 10 3HB PHE 10 -1.471 -10.761 -7.371 73 HD1 PHE 10 HD1 PHE 10 -0.194 -11.965 -5.588 74 HD2 PHE 10 HD2 PHE 10 1.531 -8.871 -7.947 75 HE1 PHE 10 HE1 PHE 10 1.590 -11.690 -3.916 76 HE2 PHE 10 HE2 PHE 10 3.318 -8.591 -6.280 77 HZ PHE 10 HZ PHE 10 3.350 -10.002 -4.262 78 H ASN 11 H ASN 11 -0.017 -11.254 -11.314 79 HA ASN 11 HA ASN 11 2.912 -11.451 -11.227 80 HB2 ASN 11 2HB ASN 11 0.861 -11.938 -13.335 81 HB3 ASN 11 3HB ASN 11 2.443 -11.360 -13.850 82 HD21 ASN 11 1HD2 ASN 11 4.205 -12.687 -13.693 83 HD22 ASN 11 2HD2 ASN 11 4.091 -14.365 -13.296 84 H LYS 12 H LYS 12 3.103 -9.328 -10.286 85 HA LYS 12 HA LYS 12 2.104 -6.963 -11.314 86 HB2 LYS 12 2HB LYS 12 3.988 -5.851 -10.215 87 HB3 LYS 12 3HB LYS 12 3.304 -7.101 -9.184 88 HG2 LYS 12 2HG LYS 12 5.232 -8.513 -10.426 89 HG3 LYS 12 3HG LYS 12 5.967 -6.908 -10.419 90 HD2 LYS 12 2HD LYS 12 5.872 -6.765 -8.066 91 HD3 LYS 12 3HD LYS 12 4.766 -8.136 -7.950 92 HE2 LYS 12 2HE LYS 12 6.626 -9.546 -8.927 93 HE3 LYS 12 3HE LYS 12 7.688 -8.162 -8.671 94 HZ1 LYS 12 3HZ LYS 12 7.765 -8.530 -6.479 95 HZ2 LYS 12 1HZ LYS 12 7.233 -10.090 -6.861 96 HZ3 LYS 12 2HZ LYS 12 6.122 -8.916 -6.365 97 H ASN 13 H ASN 13 4.817 -8.896 -12.408 98 HA ASN 13 HA ASN 13 6.072 -7.061 -14.088 99 HB2 ASN 13 2HB ASN 13 6.314 -9.800 -13.516 100 HB3 ASN 13 3HB ASN 13 6.070 -9.704 -15.257 101 HD21 ASN 13 1HD2 ASN 13 7.477 -8.205 -16.438 102 HD22 ASN 13 2HD2 ASN 13 9.106 -8.009 -15.897 103 H GLY 14 H GLY 14 3.238 -9.082 -14.613 104 HA2 GLY 14 2HA GLY 14 2.998 -8.681 -17.396 105 HA3 GLY 14 3HA GLY 14 1.694 -9.139 -16.311 106 H CYS 15 H CYS 15 1.588 -6.922 -14.654 107 HA CYS 15 HA CYS 15 0.060 -5.138 -16.229 108 HB2 CYS 15 2HB CYS 15 -0.156 -5.666 -13.718 109 HB3 CYS 15 3HB CYS 15 1.129 -4.485 -13.491 110 HG CYS 15 HG CYS 15 -0.261 -2.305 -14.206 111 H LEU 16 H LEU 16 3.293 -4.918 -14.805 112 HA LEU 16 HA LEU 16 3.815 -2.246 -15.494 113 HB2 LEU 16 2HB LEU 16 5.142 -3.565 -13.892 114 HB3 LEU 16 3HB LEU 16 5.770 -4.527 -15.229 115 HG LEU 16 HG LEU 16 6.655 -2.268 -16.129 116 HD11 LEU 16 1HD1 LEU 16 6.209 -1.596 -13.224 117 HD12 LEU 16 2HD1 LEU 16 5.460 -0.811 -14.615 118 HD13 LEU 16 3HD1 LEU 16 7.196 -0.659 -14.346 119 HD21 LEU 16 3HD2 LEU 16 8.719 -2.684 -15.137 120 HD22 LEU 16 1HD2 LEU 16 7.907 -4.248 -15.062 121 HD23 LEU 16 2HD2 LEU 16 7.993 -3.229 -13.625 122 H VAL 17 H VAL 17 4.471 -5.273 -17.224 123 HA VAL 17 HA VAL 17 5.790 -4.081 -19.425 124 HB VAL 17 HB VAL 17 4.315 -6.712 -19.258 125 HG11 VAL 17 1HG1 VAL 17 6.173 -7.047 -21.197 126 HG12 VAL 17 2HG1 VAL 17 4.487 -6.623 -21.502 127 HG13 VAL 17 3HG1 VAL 17 5.720 -5.363 -21.461 128 HG21 VAL 17 3HG2 VAL 17 7.274 -6.521 -19.335 129 HG22 VAL 17 1HG2 VAL 17 6.467 -6.077 -17.831 130 HG23 VAL 17 2HG2 VAL 17 6.234 -7.686 -18.515 131 H PHE 18 H PHE 18 2.415 -4.865 -18.775 132 HA PHE 18 HA PHE 18 1.412 -4.378 -21.359 133 HB2 PHE 18 2HB PHE 18 -0.018 -5.540 -19.884 134 HB3 PHE 18 3HB PHE 18 0.158 -4.324 -18.623 135 HD1 PHE 18 HD1 PHE 18 -0.639 -3.903 -22.229 136 HD2 PHE 18 HD2 PHE 18 -1.989 -3.565 -18.207 137 HE1 PHE 18 HE1 PHE 18 -2.692 -2.798 -23.015 138 HE2 PHE 18 HE2 PHE 18 -4.045 -2.461 -18.986 139 HZ PHE 18 HZ PHE 18 -4.399 -2.076 -21.393 140 H VAL 19 H VAL 19 1.701 -2.262 -18.523 141 HA VAL 19 HA VAL 19 0.550 0.020 -19.724 142 HB VAL 19 HB VAL 19 2.575 -0.055 -17.482 143 HG11 VAL 19 1HG1 VAL 19 1.642 2.093 -16.840 144 HG12 VAL 19 2HG1 VAL 19 2.248 2.162 -18.495 145 HG13 VAL 19 3HG1 VAL 19 0.515 2.031 -18.195 146 HG21 VAL 19 3HG2 VAL 19 1.014 -0.964 -16.190 147 HG22 VAL 19 1HG2 VAL 19 -0.087 0.360 -16.571 148 HG23 VAL 19 2HG2 VAL 19 -0.065 -1.086 -17.579 149 H SER 20 H SER 20 3.937 -0.973 -19.300 150 HA SER 20 HA SER 20 5.151 1.264 -20.432 151 HB2 SER 20 2HB SER 20 6.678 -0.126 -19.395 152 HB3 SER 20 3HB SER 20 5.957 -1.591 -20.061 153 HG SER 20 HG SER 20 7.080 -1.348 -21.867 154 H ARG 21 H ARG 21 4.174 -1.784 -21.986 155 HA ARG 21 HA ARG 21 4.966 -0.992 -24.594 156 HB2 ARG 21 2HB ARG 21 2.992 -3.110 -23.720 157 HB3 ARG 21 3HB ARG 21 3.640 -2.940 -25.346 158 HG2 ARG 21 2HG ARG 21 5.389 -3.376 -22.945 159 HG3 ARG 21 3HG ARG 21 4.702 -4.702 -23.885 160 HD2 ARG 21 2HD ARG 21 6.043 -4.308 -25.679 161 HD3 ARG 21 3HD ARG 21 6.111 -2.571 -25.382 162 HE ARG 21 HE ARG 21 7.495 -3.835 -23.323 163 HH11 ARG 21 1HH1 ARG 21 7.751 -3.396 -26.767 164 HH12 ARG 21 2HH1 ARG 21 9.481 -3.495 -26.782 165 HH21 ARG 21 1HH2 ARG 21 9.773 -3.968 -23.330 166 HH22 ARG 21 2HH2 ARG 21 10.629 -3.821 -24.827 167 H LEU 22 H LEU 22 1.940 -0.804 -22.802 168 HA LEU 22 HA LEU 22 0.233 -0.093 -24.896 169 HB2 LEU 22 2HB LEU 22 -0.954 -0.555 -23.016 170 HB3 LEU 22 3HB LEU 22 0.228 0.207 -21.953 171 HG LEU 22 HG LEU 22 -1.394 1.983 -23.694 172 HD11 LEU 22 1HD1 LEU 22 -2.481 0.470 -21.333 173 HD12 LEU 22 2HD1 LEU 22 -3.144 0.567 -22.964 174 HD13 LEU 22 3HD1 LEU 22 -3.176 1.983 -21.914 175 HD21 LEU 22 3HD2 LEU 22 -0.300 3.417 -22.390 176 HD22 LEU 22 1HD2 LEU 22 0.236 2.132 -21.307 177 HD23 LEU 22 2HD2 LEU 22 -1.342 2.884 -21.070 178 H TRP 23 H TRP 23 2.326 1.889 -22.855 179 HA TRP 23 HA TRP 23 1.440 4.398 -23.794 180 HB2 TRP 23 2HB TRP 23 3.944 3.449 -22.431 181 HB3 TRP 23 3HB TRP 23 3.805 5.112 -22.995 182 HD1 TRP 23 HD1 TRP 23 0.669 5.440 -22.171 183 HE1 TRP 23 HE1 TRP 23 0.105 5.754 -19.680 184 HE3 TRP 23 HE3 TRP 23 4.944 3.524 -20.123 185 HZ2 TRP 23 HZ2 TRP 23 1.312 5.256 -17.177 186 HZ3 TRP 23 HZ3 TRP 23 5.160 3.480 -17.672 187 HH2 TRP 23 HH2 TRP 23 3.381 4.329 -16.231 188 H ASP 24 H ASP 24 3.884 2.146 -24.943 189 HA ASP 24 HA ASP 24 5.072 3.890 -26.839 190 HB2 ASP 24 2HB ASP 24 5.095 0.939 -26.359 191 HB3 ASP 24 3HB ASP 24 5.708 1.553 -27.892 192 H LEU 25 H LEU 25 2.792 1.181 -27.281 193 HA LEU 25 HA LEU 25 2.324 1.578 -30.002 194 HB2 LEU 25 2HB LEU 25 1.674 -0.415 -28.634 195 HB3 LEU 25 3HB LEU 25 0.333 0.535 -27.996 196 HG LEU 25 HG LEU 25 -0.201 -1.103 -29.857 197 HD11 LEU 25 1HD1 LEU 25 -2.024 0.128 -30.166 198 HD12 LEU 25 2HD1 LEU 25 -1.114 1.398 -30.983 199 HD13 LEU 25 3HD1 LEU 25 -1.236 1.393 -29.223 200 HD21 LEU 25 3HD2 LEU 25 0.257 -0.379 -32.131 201 HD22 LEU 25 1HD2 LEU 25 1.763 -0.625 -31.247 202 HD23 LEU 25 2HD2 LEU 25 1.161 1.009 -31.526 203 H ASP 26 H ASP 26 0.845 3.056 -27.178 204 HA ASP 26 HA ASP 26 -1.234 4.377 -28.629 205 HB2 ASP 26 2HB ASP 26 -0.136 4.626 -25.840 206 HB3 ASP 26 3HB ASP 26 -1.329 5.771 -26.449 207 H LYS 27 H LYS 27 0.062 5.309 -30.342 208 HA LYS 27 HA LYS 27 2.050 7.267 -29.834 209 HB2 LYS 27 2HB LYS 27 0.684 6.144 -32.157 210 HB3 LYS 27 3HB LYS 27 1.025 7.860 -32.338 211 HG2 LYS 27 2HG LYS 27 3.114 5.859 -31.526 212 HG3 LYS 27 3HG LYS 27 2.781 6.281 -33.207 213 HD2 LYS 27 2HD LYS 27 3.053 8.742 -32.207 214 HD3 LYS 27 3HD LYS 27 4.075 7.868 -31.063 215 HE2 LYS 27 2HE LYS 27 5.539 7.156 -32.737 216 HE3 LYS 27 3HE LYS 27 4.374 7.476 -34.021 217 HZ1 LYS 27 3HZ LYS 27 6.327 9.210 -32.892 218 HZ2 LYS 27 1HZ LYS 27 4.784 9.900 -32.802 219 HZ3 LYS 27 2HZ LYS 27 5.404 9.405 -34.296 220 H LEU 28 H LEU 28 -1.424 7.365 -30.093 221 HA LEU 28 HA LEU 28 -1.846 10.063 -30.611 222 HB2 LEU 28 2HB LEU 28 -3.661 8.496 -30.633 223 HB3 LEU 28 3HB LEU 28 -3.427 8.132 -28.925 224 HG LEU 28 HG LEU 28 -3.963 10.715 -28.676 225 HD11 LEU 28 1HD1 LEU 28 -4.717 10.065 -31.425 226 HD12 LEU 28 2HD1 LEU 28 -4.455 11.630 -30.657 227 HD13 LEU 28 3HD1 LEU 28 -6.006 10.811 -30.479 228 HD21 LEU 28 3HD2 LEU 28 -6.271 8.890 -29.227 229 HD22 LEU 28 1HD2 LEU 28 -6.085 10.109 -27.966 230 HD23 LEU 28 2HD2 LEU 28 -5.192 8.591 -27.864 231 H GLY 29 H GLY 29 -0.830 8.462 -27.687 232 HA2 GLY 29 2HA GLY 29 0.325 9.550 -25.940 233 HA3 GLY 29 3HA GLY 29 -0.363 11.078 -26.468 234 H MET 30 H MET 30 -3.023 10.650 -26.469 235 HA MET 30 HA MET 30 -3.569 10.052 -23.640 236 HB2 MET 30 2HB MET 30 -3.975 12.399 -24.664 237 HB3 MET 30 3HB MET 30 -5.384 11.660 -25.413 238 HG2 MET 30 2HG MET 30 -6.274 11.078 -23.240 239 HG3 MET 30 3HG MET 30 -4.833 11.722 -22.456 240 HE1 MET 30 3HE MET 30 -5.969 13.737 -20.888 241 HE2 MET 30 1HE MET 30 -7.568 14.266 -21.412 242 HE3 MET 30 2HE MET 30 -7.217 12.545 -21.252 243 H PHE 31 H PHE 31 -3.445 7.856 -25.209 244 HA PHE 31 HA PHE 31 -6.252 7.177 -25.782 245 HB2 PHE 31 2HB PHE 31 -4.124 6.928 -27.459 246 HB3 PHE 31 3HB PHE 31 -4.142 5.334 -26.711 247 HD1 PHE 31 HD1 PHE 31 -6.879 4.650 -26.392 248 HD2 PHE 31 HD2 PHE 31 -5.040 6.823 -29.556 249 HE1 PHE 31 HE1 PHE 31 -8.684 3.956 -27.913 250 HE2 PHE 31 HE2 PHE 31 -6.842 6.133 -31.082 251 HZ PHE 31 HZ PHE 31 -8.668 4.699 -30.261 252 H HIS 32 H HIS 32 -7.226 5.959 -24.319 253 HA HIS 32 HA HIS 32 -6.143 3.577 -23.275 254 HB2 HIS 32 2HB HIS 32 -6.150 4.376 -20.831 255 HB3 HIS 32 3HB HIS 32 -4.761 4.808 -21.823 256 HD1 HIS 32 HD1 HIS 32 -7.938 6.333 -20.446 257 HD2 HIS 32 HD2 HIS 32 -4.269 7.492 -22.013 258 HE1 HIS 32 HE1 HIS 32 -7.818 8.821 -20.106 259 H HIS 33 H HIS 33 -8.473 4.025 -24.531 260 HA HIS 33 HA HIS 33 -10.404 3.256 -22.519 261 HB2 HIS 33 2HB HIS 33 -10.583 5.834 -24.033 262 HB3 HIS 33 3HB HIS 33 -12.060 4.968 -23.622 263 HD1 HIS 33 HD1 HIS 33 -12.210 4.375 -20.917 264 HD2 HIS 33 HD2 HIS 33 -9.769 7.525 -22.090 265 HE1 HIS 33 HE1 HIS 33 -11.858 5.759 -18.847 266 HA PRO 34 HA PRO 34 -11.962 0.719 -25.740 267 HB2 PRO 34 2HB PRO 34 -14.609 0.616 -25.148 268 HB3 PRO 34 3HB PRO 34 -13.377 -0.208 -24.185 269 HG2 PRO 34 2HG PRO 34 -14.743 2.407 -23.677 270 HG3 PRO 34 3HG PRO 34 -14.371 1.099 -22.539 271 HD2 PRO 34 2HD PRO 34 -12.866 3.342 -22.724 272 HD3 PRO 34 3HD PRO 34 -12.177 1.762 -22.300 273 H VAL 35 H VAL 35 -12.928 0.771 -27.753 274 HA VAL 35 HA VAL 35 -13.422 3.340 -28.877 275 HB VAL 35 HB VAL 35 -13.839 2.190 -30.961 276 HG11 VAL 35 1HG1 VAL 35 -11.731 0.390 -30.230 277 HG12 VAL 35 2HG1 VAL 35 -11.653 1.871 -31.186 278 HG13 VAL 35 3HG1 VAL 35 -11.497 1.945 -29.431 279 HG21 VAL 35 3HG2 VAL 35 -14.075 -0.244 -29.216 280 HG22 VAL 35 1HG2 VAL 35 -15.234 0.392 -30.383 281 HG23 VAL 35 2HG2 VAL 35 -13.740 -0.359 -30.943 282 H SER 36 H SER 36 -15.321 4.237 -29.641 283 HA SER 36 HA SER 36 -17.703 3.480 -28.221 284 HB2 SER 36 2HB SER 36 -17.036 5.685 -30.162 285 HB3 SER 36 3HB SER 36 -18.688 5.417 -29.607 286 HG SER 36 HG SER 36 -17.027 6.881 -28.400 287 H ALA 37 H ALA 37 -19.569 2.606 -29.023 288 HA ALA 37 HA ALA 37 -19.438 0.789 -31.120 289 HB1 ALA 37 1HB ALA 37 -21.543 0.220 -30.544 290 HB2 ALA 37 2HB ALA 37 -21.213 1.255 -29.154 291 HB3 ALA 37 3HB ALA 37 -22.109 1.891 -30.534 292 H GLU 38 H GLU 38 -20.281 4.179 -31.128 293 HA GLU 38 HA GLU 38 -21.656 4.439 -33.503 294 HB2 GLU 38 2HB GLU 38 -20.824 6.727 -33.597 295 HB3 GLU 38 3HB GLU 38 -21.249 6.297 -31.947 296 HG2 GLU 38 2HG GLU 38 -18.740 5.715 -31.710 297 HG3 GLU 38 3HG GLU 38 -18.550 6.709 -33.154 298 H GLU 39 H GLU 39 -18.186 4.087 -32.992 299 HA GLU 39 HA GLU 39 -17.675 4.280 -35.856 300 HB2 GLU 39 2HB GLU 39 -16.209 5.242 -33.899 301 HB3 GLU 39 3HB GLU 39 -15.565 3.607 -33.844 302 HG2 GLU 39 2HG GLU 39 -14.585 3.773 -35.917 303 HG3 GLU 39 3HG GLU 39 -15.680 5.048 -36.449 304 H LEU 40 H LEU 40 -17.601 1.920 -33.243 305 HA LEU 40 HA LEU 40 -17.307 -0.199 -35.267 306 HB2 LEU 40 2HB LEU 40 -15.967 0.115 -32.612 307 HB3 LEU 40 3HB LEU 40 -16.254 -1.494 -33.273 308 HG LEU 40 HG LEU 40 -13.990 -0.784 -33.744 309 HD11 LEU 40 1HD1 LEU 40 -15.726 -1.840 -35.548 310 HD12 LEU 40 2HD1 LEU 40 -13.989 -1.671 -35.801 311 HD13 LEU 40 3HD1 LEU 40 -15.095 -0.454 -36.438 312 HD21 LEU 40 3HD2 LEU 40 -13.387 1.199 -34.744 313 HD22 LEU 40 1HD2 LEU 40 -14.764 1.711 -33.768 314 HD23 LEU 40 2HD2 LEU 40 -14.967 1.427 -35.496 315 HA PRO 41 HA PRO 41 -21.262 -0.784 -32.932 316 HB2 PRO 41 2HB PRO 41 -22.718 -1.442 -35.126 317 HB3 PRO 41 3HB PRO 41 -22.460 0.228 -34.611 318 HG2 PRO 41 2HG PRO 41 -21.051 -1.336 -36.739 319 HG3 PRO 41 3HG PRO 41 -21.628 0.340 -36.779 320 HD2 PRO 41 2HD PRO 41 -19.034 -0.297 -36.338 321 HD3 PRO 41 3HD PRO 41 -19.803 1.129 -35.613 322 H ASP 42 H ASP 42 -19.277 -2.678 -35.007 323 HA ASP 42 HA ASP 42 -20.630 -5.140 -34.120 324 HB2 ASP 42 2HB ASP 42 -19.921 -6.224 -36.074 325 HB3 ASP 42 3HB ASP 42 -20.375 -4.617 -36.633 326 H TYR 43 H TYR 43 -18.506 -3.403 -32.803 327 HA TYR 43 HA TYR 43 -16.017 -4.605 -32.793 328 HB2 TYR 43 2HB TYR 43 -15.626 -3.534 -30.705 329 HB3 TYR 43 3HB TYR 43 -16.714 -2.480 -31.601 330 HD1 TYR 43 HD2 TYR 43 -19.266 -2.818 -31.110 331 HD2 TYR 43 HD1 TYR 43 -16.144 -4.096 -28.517 332 HE1 TYR 43 HE2 TYR 43 -20.848 -2.845 -29.228 333 HE2 TYR 43 HE1 TYR 43 -17.719 -4.128 -26.628 334 HH TYR 43 HH TYR 43 -21.155 -3.629 -27.092 335 H HIS 44 H HIS 44 -18.969 -5.586 -31.173 336 HA HIS 44 HA HIS 44 -17.828 -7.526 -29.463 337 HB2 HIS 44 2HB HIS 44 -20.341 -6.468 -29.814 338 HB3 HIS 44 3HB HIS 44 -20.542 -8.114 -30.408 339 HD1 HIS 44 HD1 HIS 44 -19.859 -6.161 -27.298 340 HD2 HIS 44 HD2 HIS 44 -20.355 -10.119 -28.460 341 HE1 HIS 44 HE1 HIS 44 -20.118 -7.462 -25.161 342 H THR 45 H THR 45 -18.927 -7.611 -32.793 343 HA THR 45 HA THR 45 -18.548 -10.488 -32.975 344 HB THR 45 HB THR 45 -19.000 -8.895 -35.436 345 HG1 THR 45 HG1 THR 45 -21.020 -9.229 -33.449 346 HG21 THR 45 3HG2 THR 45 -20.461 -10.721 -35.989 347 HG22 THR 45 1HG2 THR 45 -20.407 -11.327 -34.334 348 HG23 THR 45 2HG2 THR 45 -18.963 -11.391 -35.344 349 H VAL 46 H VAL 46 -16.639 -7.746 -33.224 350 HA VAL 46 HA VAL 46 -14.820 -8.902 -35.200 351 HB VAL 46 HB VAL 46 -14.734 -6.226 -33.800 352 HG11 VAL 46 1HG1 VAL 46 -13.016 -5.692 -35.541 353 HG12 VAL 46 2HG1 VAL 46 -12.496 -6.867 -34.331 354 HG13 VAL 46 3HG1 VAL 46 -12.975 -7.409 -35.940 355 HG21 VAL 46 3HG2 VAL 46 -16.436 -7.003 -35.778 356 HG22 VAL 46 1HG2 VAL 46 -15.903 -5.345 -35.502 357 HG23 VAL 46 2HG2 VAL 46 -15.091 -6.344 -36.708 358 H ILE 47 H ILE 47 -14.663 -7.572 -31.896 359 HA ILE 47 HA ILE 47 -12.345 -9.327 -31.408 360 HB ILE 47 HB ILE 47 -11.734 -7.663 -29.600 361 HG12 ILE 47 2HG1 ILE 47 -13.717 -5.959 -31.124 362 HG13 ILE 47 3HG1 ILE 47 -13.887 -6.506 -29.460 363 HG21 ILE 47 1HG2 ILE 47 -10.504 -6.278 -31.092 364 HG22 ILE 47 2HG2 ILE 47 -10.642 -7.864 -31.849 365 HG23 ILE 47 3HG2 ILE 47 -11.669 -6.537 -32.390 366 HD11 ILE 47 3HD1 ILE 47 -12.823 -4.707 -28.757 367 HD12 ILE 47 1HD1 ILE 47 -11.403 -5.157 -29.701 368 HD13 ILE 47 2HD1 ILE 47 -12.662 -4.154 -30.423 369 H LYS 48 H LYS 48 -15.453 -8.247 -30.330 370 HA LYS 48 HA LYS 48 -16.908 -9.161 -28.826 371 HB2 LYS 48 2HB LYS 48 -14.818 -11.155 -27.994 372 HB3 LYS 48 3HB LYS 48 -16.568 -11.323 -27.968 373 HG2 LYS 48 2HG LYS 48 -15.911 -10.883 -30.644 374 HG3 LYS 48 3HG LYS 48 -14.693 -12.006 -30.035 375 HD2 LYS 48 2HD LYS 48 -16.448 -13.486 -29.218 376 HD3 LYS 48 3HD LYS 48 -17.681 -12.351 -29.771 377 HE2 LYS 48 2HE LYS 48 -17.642 -13.258 -31.797 378 HE3 LYS 48 3HE LYS 48 -15.917 -12.924 -31.937 379 HZ1 LYS 48 3HZ LYS 48 -15.382 -15.010 -31.032 380 HZ2 LYS 48 1HZ LYS 48 -16.611 -15.319 -32.154 381 HZ3 LYS 48 2HZ LYS 48 -16.963 -15.292 -30.500 382 H ARG 49 H ARG 49 -13.660 -9.552 -27.393 383 HA ARG 49 HA ARG 49 -14.619 -8.077 -25.037 384 HB2 ARG 49 2HB ARG 49 -13.155 -10.475 -25.297 385 HB3 ARG 49 3HB ARG 49 -12.034 -9.280 -24.658 386 HG2 ARG 49 2HG ARG 49 -14.437 -8.978 -23.225 387 HG3 ARG 49 3HG ARG 49 -14.104 -10.709 -23.315 388 HD2 ARG 49 2HD ARG 49 -12.031 -10.481 -22.253 389 HD3 ARG 49 3HD ARG 49 -11.969 -8.745 -22.555 390 HE ARG 49 HE ARG 49 -14.175 -9.191 -20.944 391 HH11 ARG 49 1HH1 ARG 49 -10.724 -9.616 -20.757 392 HH12 ARG 49 2HH1 ARG 49 -10.659 -9.399 -19.040 393 HH21 ARG 49 1HH2 ARG 49 -14.102 -8.904 -18.682 394 HH22 ARG 49 2HH2 ARG 49 -12.581 -8.996 -17.860 395 HA PRO 50 HA PRO 50 -11.985 -4.901 -26.952 396 HB2 PRO 50 2HB PRO 50 -13.195 -2.836 -25.670 397 HB3 PRO 50 3HB PRO 50 -13.846 -3.568 -27.142 398 HG2 PRO 50 2HG PRO 50 -14.629 -4.029 -24.289 399 HG3 PRO 50 3HG PRO 50 -15.664 -3.835 -25.716 400 HD2 PRO 50 2HD PRO 50 -15.093 -6.257 -24.650 401 HD3 PRO 50 3HD PRO 50 -15.362 -6.019 -26.388 402 H VAL 51 H VAL 51 -11.152 -2.767 -25.616 403 HA VAL 51 HA VAL 51 -10.023 -3.777 -23.088 404 HB VAL 51 HB VAL 51 -8.309 -3.863 -24.833 405 HG11 VAL 51 1HG1 VAL 51 -8.245 -0.904 -25.077 406 HG12 VAL 51 2HG1 VAL 51 -7.760 -2.147 -26.232 407 HG13 VAL 51 3HG1 VAL 51 -9.469 -1.783 -25.993 408 HG21 VAL 51 3HG2 VAL 51 -8.006 -2.910 -22.346 409 HG22 VAL 51 1HG2 VAL 51 -6.664 -3.102 -23.474 410 HG23 VAL 51 2HG2 VAL 51 -7.418 -1.522 -23.261 411 H ASP 52 H ASP 52 -10.240 -2.466 -21.389 412 HA ASP 52 HA ASP 52 -10.790 0.385 -21.867 413 HB2 ASP 52 2HB ASP 52 -12.930 -0.574 -21.380 414 HB3 ASP 52 3HB ASP 52 -12.278 -1.488 -20.023 415 H LEU 53 H LEU 53 -10.223 1.799 -20.126 416 HA LEU 53 HA LEU 53 -7.831 0.965 -18.771 417 HB2 LEU 53 2HB LEU 53 -7.754 3.154 -19.567 418 HB3 LEU 53 3HB LEU 53 -9.369 3.527 -18.967 419 HG LEU 53 HG LEU 53 -7.481 2.898 -16.836 420 HD11 LEU 53 1HD1 LEU 53 -6.241 5.014 -17.011 421 HD12 LEU 53 2HD1 LEU 53 -6.947 5.280 -18.605 422 HD13 LEU 53 3HD1 LEU 53 -5.872 3.908 -18.335 423 HD21 LEU 53 3HD2 LEU 53 -8.734 4.389 -15.706 424 HD22 LEU 53 1HD2 LEU 53 -9.860 4.160 -17.045 425 HD23 LEU 53 2HD2 LEU 53 -8.761 5.540 -17.043 426 H SER 54 H SER 54 -11.104 1.910 -17.799 427 HA SER 54 HA SER 54 -10.653 1.703 -15.011 428 HB2 SER 54 2HB SER 54 -12.567 2.904 -15.373 429 HB3 SER 54 3HB SER 54 -13.024 1.953 -16.786 430 HG SER 54 HG SER 54 -14.349 1.666 -14.845 431 H SER 55 H SER 55 -11.740 -0.580 -17.461 432 HA SER 55 HA SER 55 -12.594 -2.644 -15.777 433 HB2 SER 55 2HB SER 55 -11.419 -2.710 -18.561 434 HB3 SER 55 3HB SER 55 -12.073 -4.136 -17.755 435 HG SER 55 HG SER 55 -14.025 -2.718 -17.480 436 H ILE 56 H ILE 56 -9.409 -2.096 -17.266 437 HA ILE 56 HA ILE 56 -8.156 -4.337 -16.090 438 HB ILE 56 HB ILE 56 -6.944 -1.764 -17.105 439 HG12 ILE 56 2HG1 ILE 56 -6.825 -4.411 -18.501 440 HG13 ILE 56 3HG1 ILE 56 -8.283 -3.433 -18.629 441 HG21 ILE 56 1HG2 ILE 56 -4.839 -3.048 -17.227 442 HG22 ILE 56 2HG2 ILE 56 -5.413 -2.834 -15.575 443 HG23 ILE 56 3HG2 ILE 56 -5.632 -4.382 -16.390 444 HD11 ILE 56 3HD1 ILE 56 -6.102 -1.726 -19.134 445 HD12 ILE 56 1HD1 ILE 56 -5.836 -3.203 -20.059 446 HD13 ILE 56 2HD1 ILE 56 -7.333 -2.293 -20.261 447 H ARG 57 H ARG 57 -8.224 -0.907 -15.158 448 HA ARG 57 HA ARG 57 -6.560 -1.095 -12.921 449 HB2 ARG 57 2HB ARG 57 -7.152 1.057 -13.834 450 HB3 ARG 57 3HB ARG 57 -8.856 0.779 -13.501 451 HG2 ARG 57 2HG ARG 57 -6.984 0.687 -11.207 452 HG3 ARG 57 3HG ARG 57 -7.326 2.261 -11.930 453 HD2 ARG 57 2HD ARG 57 -9.810 1.039 -11.720 454 HD3 ARG 57 3HD ARG 57 -8.981 0.601 -10.227 455 HE ARG 57 HE ARG 57 -8.632 3.346 -10.691 456 HH11 ARG 57 1HH1 ARG 57 -11.128 1.070 -9.848 457 HH12 ARG 57 2HH1 ARG 57 -12.064 2.226 -8.961 458 HH21 ARG 57 1HH2 ARG 57 -9.856 4.878 -9.525 459 HH22 ARG 57 2HH2 ARG 57 -11.340 4.392 -8.778 460 H ASP 58 H ASP 58 -10.035 -1.609 -13.264 461 HA ASP 58 HA ASP 58 -10.528 -1.942 -10.475 462 HB2 ASP 58 2HB ASP 58 -12.273 -1.299 -12.142 463 HB3 ASP 58 3HB ASP 58 -12.192 -2.932 -12.798 464 H GLY 59 H GLY 59 -9.817 -4.129 -13.148 465 HA2 GLY 59 2HA GLY 59 -10.354 -6.552 -11.818 466 HA3 GLY 59 3HA GLY 59 -9.276 -6.359 -13.192 467 H ILE 60 H ILE 60 -7.340 -4.699 -12.123 468 HA ILE 60 HA ILE 60 -5.664 -6.519 -10.819 469 HB ILE 60 HB ILE 60 -5.476 -3.509 -10.959 470 HG12 ILE 60 2HG1 ILE 60 -5.412 -4.600 -13.143 471 HG13 ILE 60 3HG1 ILE 60 -3.820 -3.970 -12.733 472 HG21 ILE 60 1HG2 ILE 60 -2.953 -4.195 -10.595 473 HG22 ILE 60 2HG2 ILE 60 -4.035 -3.908 -9.234 474 HG23 ILE 60 3HG2 ILE 60 -3.691 -5.557 -9.754 475 HD11 ILE 60 3HD1 ILE 60 -4.716 -6.836 -12.547 476 HD12 ILE 60 1HD1 ILE 60 -3.615 -6.145 -13.739 477 HD13 ILE 60 2HD1 ILE 60 -3.138 -6.230 -12.043 478 H GLU 61 H GLU 61 -7.502 -3.767 -9.522 479 HA GLU 61 HA GLU 61 -6.644 -4.086 -6.847 480 HB2 GLU 61 2HB GLU 61 -7.561 -1.982 -7.494 481 HB3 GLU 61 3HB GLU 61 -9.048 -2.730 -8.061 482 HG2 GLU 61 2HG GLU 61 -9.975 -2.661 -6.043 483 HG3 GLU 61 3HG GLU 61 -8.525 -3.289 -5.262 484 H LYS 62 H LYS 62 -9.210 -5.528 -8.726 485 HA LYS 62 HA LYS 62 -10.576 -6.659 -6.465 486 HB2 LYS 62 2HB LYS 62 -10.790 -7.140 -9.438 487 HB3 LYS 62 3HB LYS 62 -11.785 -7.979 -8.255 488 HG2 LYS 62 2HG LYS 62 -11.693 -4.992 -8.310 489 HG3 LYS 62 3HG LYS 62 -12.719 -5.885 -9.435 490 HD2 LYS 62 2HD LYS 62 -12.789 -6.228 -6.440 491 HD3 LYS 62 3HD LYS 62 -13.874 -5.167 -7.341 492 HE2 LYS 62 2HE LYS 62 -13.853 -7.758 -8.553 493 HE3 LYS 62 3HE LYS 62 -14.159 -7.927 -6.825 494 HZ1 LYS 62 3HZ LYS 62 -15.634 -5.894 -8.349 495 HZ2 LYS 62 1HZ LYS 62 -16.098 -6.740 -6.959 496 HZ3 LYS 62 2HZ LYS 62 -16.113 -7.513 -8.463 497 H GLY 63 H GLY 63 -7.908 -7.551 -8.458 498 HA2 GLY 63 2HA GLY 63 -6.366 -9.243 -7.906 499 HA3 GLY 63 3HA GLY 63 -7.593 -10.002 -6.902 500 H THR 64 H THR 64 -8.284 -8.994 -10.165 501 HA THR 64 HA THR 64 -9.463 -11.277 -11.043 502 HB THR 64 HB THR 64 -7.728 -9.454 -12.722 503 HG1 THR 64 HG1 THR 64 -9.886 -8.558 -13.195 504 HG21 THR 64 3HG2 THR 64 -9.704 -11.599 -13.419 505 HG22 THR 64 1HG2 THR 64 -8.097 -11.310 -14.084 506 HG23 THR 64 2HG2 THR 64 -9.432 -10.237 -14.505 507 H TYR 65 H TYR 65 -5.999 -10.519 -11.297 508 HA TYR 65 HA TYR 65 -5.265 -12.914 -12.597 509 HB2 TYR 65 2HB TYR 65 -3.677 -10.970 -10.919 510 HB3 TYR 65 3HB TYR 65 -2.951 -12.339 -11.753 511 HD1 TYR 65 HD1 TYR 65 -4.520 -12.271 -14.295 512 HD2 TYR 65 HD2 TYR 65 -2.734 -9.137 -12.038 513 HE1 TYR 65 HE1 TYR 65 -4.318 -10.920 -16.341 514 HE2 TYR 65 HE2 TYR 65 -2.528 -7.777 -14.077 515 HH TYR 65 HH TYR 65 -4.166 -8.370 -16.856 516 H ALA 66 H ALA 66 -5.548 -14.881 -11.792 517 HA ALA 66 HA ALA 66 -5.490 -15.320 -8.913 518 HB1 ALA 66 1HB ALA 66 -5.903 -17.773 -10.146 519 HB2 ALA 66 2HB ALA 66 -7.137 -16.708 -9.472 520 HB3 ALA 66 3HB ALA 66 -6.729 -16.611 -11.185 521 H THR 67 H THR 67 -3.666 -16.142 -11.800 522 HA THR 67 HA THR 67 -1.324 -16.713 -10.260 523 HB THR 67 HB THR 67 -1.526 -19.071 -11.814 524 HG1 THR 67 HG1 THR 67 -3.681 -18.971 -9.983 525 HG21 THR 67 3HG2 THR 67 -1.497 -20.137 -9.514 526 HG22 THR 67 1HG2 THR 67 -1.557 -18.502 -8.855 527 HG23 THR 67 2HG2 THR 67 -0.192 -19.001 -9.855 528 H ASP 68 H ASP 68 0.313 -17.915 -11.943 529 HA ASP 68 HA ASP 68 0.880 -15.993 -13.898 530 HB2 ASP 68 2HB ASP 68 2.649 -17.443 -14.616 531 HB3 ASP 68 3HB ASP 68 2.521 -17.593 -12.866 532 H VAL 69 H VAL 69 -1.000 -18.931 -14.023 533 HA VAL 69 HA VAL 69 -1.115 -19.172 -16.849 534 HB VAL 69 HB VAL 69 -3.032 -20.190 -14.747 535 HG11 VAL 69 1HG1 VAL 69 -3.050 -21.810 -17.057 536 HG12 VAL 69 2HG1 VAL 69 -4.361 -20.823 -16.408 537 HG13 VAL 69 3HG1 VAL 69 -3.247 -20.142 -17.594 538 HG21 VAL 69 3HG2 VAL 69 -1.128 -21.350 -14.259 539 HG22 VAL 69 1HG2 VAL 69 -1.762 -22.374 -15.548 540 HG23 VAL 69 2HG2 VAL 69 -0.487 -21.206 -15.896 541 H ASP 70 H ASP 70 -3.393 -17.821 -14.470 542 HA ASP 70 HA ASP 70 -5.323 -16.975 -16.333 543 HB2 ASP 70 2HB ASP 70 -5.076 -16.970 -13.565 544 HB3 ASP 70 3HB ASP 70 -5.145 -15.261 -13.985 545 H VAL 71 H VAL 71 -2.439 -15.420 -15.053 546 HA VAL 71 HA VAL 71 -2.953 -12.841 -16.114 547 HB VAL 71 HB VAL 71 -0.344 -14.147 -15.333 548 HG11 VAL 71 1HG1 VAL 71 -0.938 -11.547 -16.556 549 HG12 VAL 71 2HG1 VAL 71 0.082 -11.474 -15.117 550 HG13 VAL 71 3HG1 VAL 71 0.571 -12.457 -16.497 551 HG21 VAL 71 3HG2 VAL 71 -2.476 -13.271 -13.772 552 HG22 VAL 71 1HG2 VAL 71 -0.837 -13.625 -13.226 553 HG23 VAL 71 2HG2 VAL 71 -1.281 -11.978 -13.671 554 H GLN 72 H GLN 72 -1.013 -15.580 -17.281 555 HA GLN 72 HA GLN 72 -0.047 -14.341 -19.609 556 HB2 GLN 72 2HB GLN 72 1.011 -16.340 -18.853 557 HB3 GLN 72 3HB GLN 72 -0.499 -17.239 -18.911 558 HG2 GLN 72 2HG GLN 72 1.200 -17.648 -20.762 559 HG3 GLN 72 3HG GLN 72 -0.476 -17.370 -21.233 560 HE21 GLN 72 1HE2 GLN 72 -0.019 -16.630 -23.266 561 HE22 GLN 72 2HE2 GLN 72 0.771 -15.125 -23.573 562 H ASN 73 H ASN 73 -2.988 -16.183 -18.974 563 HA ASN 73 HA ASN 73 -3.850 -16.297 -21.679 564 HB2 ASN 73 2HB ASN 73 -4.843 -17.906 -20.306 565 HB3 ASN 73 3HB ASN 73 -5.181 -16.746 -19.026 566 HD21 ASN 73 1HD2 ASN 73 -7.191 -16.079 -18.857 567 HD22 ASN 73 2HD2 ASN 73 -8.389 -16.134 -20.101 568 H ASP 74 H ASP 74 -4.457 -14.073 -19.008 569 HA ASP 74 HA ASP 74 -6.466 -12.542 -20.251 570 HB2 ASP 74 2HB ASP 74 -6.207 -12.287 -17.908 571 HB3 ASP 74 3HB ASP 74 -4.490 -11.925 -18.059 572 H VAL 75 H VAL 75 -2.957 -11.985 -20.000 573 HA VAL 75 HA VAL 75 -2.909 -9.633 -21.544 574 HB VAL 75 HB VAL 75 -0.486 -10.090 -21.829 575 HG11 VAL 75 1HG1 VAL 75 0.000 -9.451 -19.704 576 HG12 VAL 75 2HG1 VAL 75 -1.753 -9.258 -19.637 577 HG13 VAL 75 3HG1 VAL 75 -0.998 -10.710 -18.978 578 HG21 VAL 75 3HG2 VAL 75 0.404 -12.077 -20.520 579 HG22 VAL 75 1HG2 VAL 75 -1.244 -12.704 -20.554 580 HG23 VAL 75 2HG2 VAL 75 -0.372 -12.434 -22.063 581 H ALA 76 H ALA 76 -2.460 -13.035 -22.424 582 HA ALA 76 HA ALA 76 -1.731 -12.691 -25.093 583 HB1 ALA 76 1HB ALA 76 -3.006 -15.007 -25.279 584 HB2 ALA 76 2HB ALA 76 -1.453 -14.858 -24.455 585 HB3 ALA 76 3HB ALA 76 -2.948 -14.893 -23.520 586 H ARG 77 H ARG 77 -4.964 -13.062 -23.662 587 HA ARG 77 HA ARG 77 -6.382 -12.936 -26.100 588 HB2 ARG 77 2HB ARG 77 -7.124 -12.545 -23.221 589 HB3 ARG 77 3HB ARG 77 -8.289 -12.181 -24.486 590 HG2 ARG 77 2HG ARG 77 -7.297 -14.690 -25.149 591 HG3 ARG 77 3HG ARG 77 -7.489 -14.725 -23.395 592 HD2 ARG 77 2HD ARG 77 -9.799 -14.007 -23.613 593 HD3 ARG 77 3HD ARG 77 -9.614 -13.882 -25.362 594 HE ARG 77 HE ARG 77 -10.026 -16.279 -23.826 595 HH11 ARG 77 1HH1 ARG 77 -8.806 -14.953 -26.805 596 HH12 ARG 77 2HH1 ARG 77 -8.990 -16.430 -27.690 597 HH21 ARG 77 1HH2 ARG 77 -10.273 -18.230 -24.980 598 HH22 ARG 77 2HH2 ARG 77 -9.825 -18.294 -26.652 599 H MET 78 H MET 78 -5.303 -10.473 -23.828 600 HA MET 78 HA MET 78 -6.755 -8.305 -24.864 601 HB2 MET 78 2HB MET 78 -5.238 -8.562 -22.715 602 HB3 MET 78 3HB MET 78 -4.004 -7.895 -23.775 603 HG2 MET 78 2HG MET 78 -4.947 -5.846 -23.818 604 HG3 MET 78 3HG MET 78 -6.589 -6.479 -23.727 605 HE1 MET 78 3HE MET 78 -6.463 -8.244 -20.749 606 HE2 MET 78 1HE MET 78 -7.400 -6.883 -20.131 607 HE3 MET 78 2HE MET 78 -7.640 -7.438 -21.788 608 H ILE 79 H ILE 79 -3.496 -9.496 -25.626 609 HA ILE 79 HA ILE 79 -2.929 -7.505 -27.564 610 HB ILE 79 HB ILE 79 -1.735 -10.266 -27.278 611 HG12 ILE 79 2HG1 ILE 79 -1.389 -9.040 -25.246 612 HG13 ILE 79 3HG1 ILE 79 0.121 -8.997 -26.149 613 HG21 ILE 79 1HG2 ILE 79 -0.970 -9.703 -29.339 614 HG22 ILE 79 2HG2 ILE 79 -1.156 -7.972 -29.058 615 HG23 ILE 79 3HG2 ILE 79 0.224 -8.832 -28.376 616 HD11 ILE 79 3HD1 ILE 79 -1.088 -6.731 -27.021 617 HD12 ILE 79 1HD1 ILE 79 -1.666 -6.824 -25.358 618 HD13 ILE 79 2HD1 ILE 79 0.066 -6.813 -25.690 619 H THR 80 H THR 80 -4.362 -10.717 -27.732 620 HA THR 80 HA THR 80 -4.338 -11.022 -30.526 621 HB THR 80 HB THR 80 -6.384 -12.129 -28.594 622 HG1 THR 80 HG1 THR 80 -4.717 -13.207 -27.866 623 HG21 THR 80 3HG2 THR 80 -7.298 -12.717 -30.592 624 HG22 THR 80 1HG2 THR 80 -6.111 -14.015 -30.475 625 HG23 THR 80 2HG2 THR 80 -5.766 -12.590 -31.455 626 H ASN 81 H ASN 81 -6.841 -9.733 -28.353 627 HA ASN 81 HA ASN 81 -8.670 -9.121 -30.444 628 HB2 ASN 81 2HB ASN 81 -10.083 -8.458 -28.785 629 HB3 ASN 81 3HB ASN 81 -8.934 -9.332 -27.775 630 HD21 ASN 81 1HD2 ASN 81 -9.972 -6.184 -28.867 631 HD22 ASN 81 2HD2 ASN 81 -9.226 -5.282 -27.597 632 H ALA 82 H ALA 82 -6.130 -7.337 -28.801 633 HA ALA 82 HA ALA 82 -6.775 -4.769 -29.778 634 HB1 ALA 82 1HB ALA 82 -4.423 -4.210 -29.209 635 HB2 ALA 82 2HB ALA 82 -5.298 -5.006 -27.900 636 HB3 ALA 82 3HB ALA 82 -4.141 -5.918 -28.870 637 H LEU 83 H LEU 83 -4.777 -7.379 -31.062 638 HA LEU 83 HA LEU 83 -3.829 -5.832 -33.289 639 HB2 LEU 83 2HB LEU 83 -2.354 -7.503 -32.652 640 HB3 LEU 83 3HB LEU 83 -3.636 -8.695 -32.453 641 HG LEU 83 HG LEU 83 -3.117 -7.694 -35.199 642 HD11 LEU 83 1HD1 LEU 83 -0.873 -8.124 -34.076 643 HD12 LEU 83 2HD1 LEU 83 -1.210 -9.007 -35.565 644 HD13 LEU 83 3HD1 LEU 83 -1.362 -9.818 -34.007 645 HD21 LEU 83 3HD2 LEU 83 -4.589 -9.750 -33.974 646 HD22 LEU 83 1HD2 LEU 83 -3.279 -10.533 -34.858 647 HD23 LEU 83 2HD2 LEU 83 -4.384 -9.445 -35.699 648 H GLU 84 H GLU 84 -6.424 -8.118 -32.695 649 HA GLU 84 HA GLU 84 -7.150 -8.593 -35.376 650 HB2 GLU 84 2HB GLU 84 -8.038 -10.089 -33.797 651 HB3 GLU 84 3HB GLU 84 -8.624 -8.792 -32.765 652 HG2 GLU 84 2HG GLU 84 -10.509 -8.468 -33.996 653 HG3 GLU 84 3HG GLU 84 -9.757 -9.008 -35.496 654 H TYR 85 H TYR 85 -8.006 -6.060 -33.097 655 HA TYR 85 HA TYR 85 -9.938 -4.891 -34.920 656 HB2 TYR 85 2HB TYR 85 -10.551 -4.722 -32.637 657 HB3 TYR 85 3HB TYR 85 -8.956 -4.144 -32.170 658 HD1 TYR 85 HD1 TYR 85 -11.290 -3.024 -34.862 659 HD2 TYR 85 HD2 TYR 85 -9.211 -2.018 -31.289 660 HE1 TYR 85 HE1 TYR 85 -12.079 -0.703 -35.064 661 HE2 TYR 85 HE2 TYR 85 -9.995 0.305 -31.480 662 HH TYR 85 HH TYR 85 -11.008 1.696 -34.064 663 H ASN 86 H ASN 86 -6.670 -4.291 -33.774 664 HA ASN 86 HA ASN 86 -6.443 -1.757 -35.120 665 HB2 ASN 86 2HB ASN 86 -4.434 -3.534 -33.732 666 HB3 ASN 86 3HB ASN 86 -3.996 -2.011 -34.499 667 HD21 ASN 86 1HD2 ASN 86 -3.363 -2.043 -32.010 668 HD22 ASN 86 2HD2 ASN 86 -4.480 -1.187 -31.008 669 H ALA 87 H ALA 87 -6.553 -4.842 -36.230 670 HA ALA 87 HA ALA 87 -4.418 -4.906 -38.096 671 HB1 ALA 87 1HB ALA 87 -5.259 -7.004 -37.692 672 HB2 ALA 87 2HB ALA 87 -6.936 -6.456 -37.717 673 HB3 ALA 87 3HB ALA 87 -6.040 -6.622 -39.227 674 H LYS 88 H LYS 88 -4.312 -3.064 -39.326 675 HA LYS 88 HA LYS 88 -6.609 -2.550 -41.102 676 HB2 LYS 88 2HB LYS 88 -4.822 -0.732 -39.603 677 HB3 LYS 88 3HB LYS 88 -5.194 -0.245 -41.252 678 HG2 LYS 88 2HG LYS 88 -7.323 0.265 -40.760 679 HG3 LYS 88 3HG LYS 88 -7.506 -1.098 -39.654 680 HD2 LYS 88 2HD LYS 88 -6.360 0.094 -37.909 681 HD3 LYS 88 3HD LYS 88 -5.962 1.413 -39.013 682 HE2 LYS 88 2HE LYS 88 -8.222 2.095 -39.159 683 HE3 LYS 88 3HE LYS 88 -8.795 0.613 -38.397 684 HZ1 LYS 88 3HZ LYS 88 -7.014 1.843 -36.637 685 HZ2 LYS 88 1HZ LYS 88 -8.682 1.629 -36.451 686 HZ3 LYS 88 2HZ LYS 88 -8.085 3.036 -37.176 687 H GLY 89 H GLY 89 -3.196 -1.538 -41.157 688 HA2 GLY 89 2HA GLY 89 -1.937 -3.082 -42.880 689 HA3 GLY 89 3HA GLY 89 -3.077 -2.315 -43.976 690 H SER 90 H SER 90 -1.432 -0.846 -41.214 691 HA SER 90 HA SER 90 0.165 0.776 -43.071 692 HB2 SER 90 2HB SER 90 -2.053 1.833 -41.990 693 HB3 SER 90 3HB SER 90 -0.926 2.153 -40.671 694 HG SER 90 HG SER 90 -1.063 3.834 -42.297 695 H THR 91 H THR 91 1.462 2.384 -41.309 696 HA THR 91 HA THR 91 3.493 0.755 -40.309 697 HB THR 91 HB THR 91 2.960 3.470 -39.140 698 HG1 THR 91 HG1 THR 91 2.928 4.218 -41.119 699 HG21 THR 91 3HG2 THR 91 4.917 2.008 -38.456 700 HG22 THR 91 1HG2 THR 91 5.321 3.630 -39.016 701 HG23 THR 91 2HG2 THR 91 5.544 2.246 -40.087 702 H TRP 92 H TRP 92 0.526 1.835 -38.850 703 HA TRP 92 HA TRP 92 1.194 1.407 -36.145 704 HB2 TRP 92 2HB TRP 92 -1.235 1.902 -37.701 705 HB3 TRP 92 3HB TRP 92 -1.510 0.882 -36.291 706 HD1 TRP 92 HD1 TRP 92 -2.354 2.327 -34.367 707 HE1 TRP 92 HE1 TRP 92 -1.794 4.651 -33.411 708 HE3 TRP 92 HE3 TRP 92 1.198 3.764 -37.753 709 HZ2 TRP 92 HZ2 TRP 92 -0.075 6.807 -34.013 710 HZ3 TRP 92 HZ3 TRP 92 2.251 5.972 -37.492 711 HH2 TRP 92 HH2 TRP 92 1.626 7.461 -35.661 712 H TYR 93 H TYR 93 -0.069 -0.725 -38.650 713 HA TYR 93 HA TYR 93 -0.650 -2.924 -36.976 714 HB2 TYR 93 2HB TYR 93 -1.564 -2.742 -39.235 715 HB3 TYR 93 3HB TYR 93 0.054 -2.864 -39.918 716 HD1 TYR 93 HD2 TYR 93 -2.200 -4.769 -37.620 717 HD2 TYR 93 HD1 TYR 93 0.727 -4.925 -40.704 718 HE1 TYR 93 HE2 TYR 93 -2.428 -7.216 -37.704 719 HE2 TYR 93 HE1 TYR 93 0.506 -7.373 -40.797 720 HH TYR 93 HH TYR 93 -0.790 -9.131 -40.156 721 H GLN 94 H GLN 94 2.248 -1.966 -38.751 722 HA GLN 94 HA GLN 94 3.723 -4.329 -38.190 723 HB2 GLN 94 2HB GLN 94 4.107 -1.954 -39.684 724 HB3 GLN 94 3HB GLN 94 5.455 -2.075 -38.561 725 HG2 GLN 94 2HG GLN 94 5.841 -4.392 -39.374 726 HG3 GLN 94 3HG GLN 94 4.595 -4.120 -40.591 727 HE21 GLN 94 1HE2 GLN 94 4.952 -2.098 -41.925 728 HE22 GLN 94 2HE2 GLN 94 6.567 -1.809 -42.466 729 H GLU 95 H GLU 95 3.480 -1.168 -36.630 730 HA GLU 95 HA GLU 95 5.538 -1.551 -34.743 731 HB2 GLU 95 2HB GLU 95 4.155 0.588 -35.425 732 HB3 GLU 95 3HB GLU 95 3.132 0.095 -34.082 733 HG2 GLU 95 2HG GLU 95 5.994 0.963 -34.044 734 HG3 GLU 95 3HG GLU 95 4.623 1.610 -33.144 735 H ALA 96 H ALA 96 2.034 -2.094 -34.548 736 HA ALA 96 HA ALA 96 2.021 -2.986 -31.865 737 HB1 ALA 96 1HB ALA 96 -0.178 -2.935 -32.161 738 HB2 ALA 96 2HB ALA 96 0.111 -2.479 -33.841 739 HB3 ALA 96 3HB ALA 96 -0.092 -4.177 -33.411 740 H MET 97 H MET 97 2.231 -4.700 -34.959 741 HA MET 97 HA MET 97 2.164 -7.307 -33.844 742 HB2 MET 97 2HB MET 97 1.618 -6.947 -36.179 743 HB3 MET 97 3HB MET 97 3.229 -6.314 -36.492 744 HG2 MET 97 2HG MET 97 4.061 -8.343 -36.812 745 HG3 MET 97 3HG MET 97 3.337 -8.953 -35.326 746 HE1 MET 97 3HE MET 97 1.738 -11.543 -36.306 747 HE2 MET 97 1HE MET 97 1.814 -10.315 -35.042 748 HE3 MET 97 2HE MET 97 0.322 -10.551 -35.952 749 H SER 98 H SER 98 4.752 -5.050 -34.603 750 HA SER 98 HA SER 98 6.896 -6.866 -34.223 751 HB2 SER 98 2HB SER 98 7.164 -4.752 -35.454 752 HB3 SER 98 3HB SER 98 6.870 -3.848 -33.969 753 HG SER 98 HG SER 98 9.055 -3.988 -34.171 754 H PHE 99 H PHE 99 5.276 -4.555 -32.086 755 HA PHE 99 HA PHE 99 6.975 -5.011 -29.856 756 HB2 PHE 99 2HB PHE 99 4.568 -3.467 -30.437 757 HB3 PHE 99 3HB PHE 99 4.562 -4.138 -28.809 758 HD1 PHE 99 HD1 PHE 99 7.340 -2.826 -30.915 759 HD2 PHE 99 HD2 PHE 99 5.047 -2.422 -27.352 760 HE1 PHE 99 HE1 PHE 99 8.826 -1.012 -30.168 761 HE2 PHE 99 HE2 PHE 99 6.529 -0.608 -26.600 762 HZ PHE 99 HZ PHE 99 8.421 0.100 -28.009 763 H ARG 100 H ARG 100 3.923 -6.404 -30.932 764 HA ARG 100 HA ARG 100 3.229 -7.838 -28.653 765 HB2 ARG 100 2HB ARG 100 1.645 -7.708 -30.413 766 HB3 ARG 100 3HB ARG 100 2.774 -8.383 -31.580 767 HG2 ARG 100 2HG ARG 100 2.109 -10.096 -29.274 768 HG3 ARG 100 3HG ARG 100 0.811 -9.792 -30.430 769 HD2 ARG 100 2HD ARG 100 2.064 -10.699 -32.218 770 HD3 ARG 100 3HD ARG 100 3.552 -10.696 -31.272 771 HE ARG 100 HE ARG 100 1.512 -12.340 -30.121 772 HH11 ARG 100 1HH1 ARG 100 4.028 -12.220 -32.524 773 HH12 ARG 100 2HH1 ARG 100 4.274 -13.934 -32.540 774 HH21 ARG 100 1HH2 ARG 100 1.827 -14.599 -30.132 775 HH22 ARG 100 2HH2 ARG 100 3.022 -15.287 -31.179 776 H LYS 101 H LYS 101 5.744 -8.395 -30.960 777 HA LYS 101 HA LYS 101 6.150 -11.159 -30.470 778 HB2 LYS 101 2HB LYS 101 7.066 -10.236 -32.466 779 HB3 LYS 101 3HB LYS 101 7.935 -8.993 -31.574 780 HG2 LYS 101 2HG LYS 101 8.589 -11.811 -30.948 781 HG3 LYS 101 3HG LYS 101 9.115 -11.180 -32.510 782 HD2 LYS 101 2HD LYS 101 9.690 -9.232 -30.518 783 HD3 LYS 101 3HD LYS 101 10.294 -10.793 -29.957 784 HE2 LYS 101 2HE LYS 101 10.828 -10.002 -32.774 785 HE3 LYS 101 3HE LYS 101 11.746 -9.205 -31.497 786 HZ1 LYS 101 3HZ LYS 101 12.648 -11.366 -32.549 787 HZ2 LYS 101 1HZ LYS 101 11.535 -12.141 -31.538 788 HZ3 LYS 101 2HZ LYS 101 12.747 -11.166 -30.872 789 H THR 102 H THR 102 6.968 -8.304 -28.731 790 HA THR 102 HA THR 102 8.707 -9.875 -26.941 791 HB THR 102 HB THR 102 9.909 -8.011 -27.974 792 HG1 THR 102 HG1 THR 102 10.834 -8.017 -26.074 793 HG21 THR 102 3HG2 THR 102 8.123 -6.482 -28.452 794 HG22 THR 102 1HG2 THR 102 9.251 -5.676 -27.362 795 HG23 THR 102 2HG2 THR 102 7.733 -6.323 -26.740 796 H TYR 103 H TYR 103 5.715 -8.377 -27.235 797 HA TYR 103 HA TYR 103 5.343 -7.402 -24.600 798 HB2 TYR 103 2HB TYR 103 3.920 -6.728 -26.501 799 HB3 TYR 103 3HB TYR 103 3.271 -8.362 -26.586 800 HD1 TYR 103 HD2 TYR 103 1.955 -9.239 -24.606 801 HD2 TYR 103 HD1 TYR 103 3.002 -5.137 -25.031 802 HE1 TYR 103 HE2 TYR 103 0.204 -8.631 -22.989 803 HE2 TYR 103 HE1 TYR 103 1.254 -4.517 -23.415 804 HH TYR 103 HH TYR 103 -0.516 -6.932 -21.607 805 H LEU 104 H LEU 104 4.260 -10.414 -26.170 806 HA LEU 104 HA LEU 104 3.259 -11.553 -23.765 807 HB2 LEU 104 2HB LEU 104 3.065 -13.612 -25.052 808 HB3 LEU 104 3HB LEU 104 2.424 -12.231 -25.940 809 HG LEU 104 HG LEU 104 5.090 -12.484 -26.764 810 HD11 LEU 104 1HD1 LEU 104 5.278 -14.765 -27.508 811 HD12 LEU 104 2HD1 LEU 104 3.710 -15.163 -26.805 812 HD13 LEU 104 3HD1 LEU 104 5.065 -14.742 -25.757 813 HD21 LEU 104 3HD2 LEU 104 2.820 -13.629 -28.326 814 HD22 LEU 104 1HD2 LEU 104 4.161 -12.618 -28.864 815 HD23 LEU 104 2HD2 LEU 104 2.833 -11.906 -27.947 816 H ASP 105 H ASP 105 6.327 -11.722 -25.470 817 HA ASP 105 HA ASP 105 7.462 -13.859 -24.035 818 HB2 ASP 105 2HB ASP 105 8.270 -12.133 -26.088 819 HB3 ASP 105 3HB ASP 105 9.430 -11.873 -24.789 820 H LEU 106 H LEU 106 7.604 -10.351 -23.505 821 HA LEU 106 HA LEU 106 9.166 -10.615 -21.109 822 HB2 LEU 106 2HB LEU 106 7.699 -8.288 -22.334 823 HB3 LEU 106 3HB LEU 106 8.657 -8.172 -20.860 824 HG LEU 106 HG LEU 106 9.722 -8.921 -23.583 825 HD11 LEU 106 1HD1 LEU 106 10.036 -6.365 -22.016 826 HD12 LEU 106 2HD1 LEU 106 9.005 -6.574 -23.431 827 HD13 LEU 106 3HD1 LEU 106 10.755 -6.733 -23.585 828 HD21 LEU 106 3HD2 LEU 106 11.558 -9.608 -22.547 829 HD22 LEU 106 1HD2 LEU 106 10.765 -9.357 -20.992 830 HD23 LEU 106 2HD2 LEU 106 11.701 -8.054 -21.724 831 H ALA 107 H ALA 107 5.837 -10.745 -21.892 832 HA ALA 107 HA ALA 107 5.005 -10.176 -19.148 833 HB1 ALA 107 1HB ALA 107 3.217 -10.871 -21.465 834 HB2 ALA 107 2HB ALA 107 2.784 -10.067 -19.955 835 HB3 ALA 107 3HB ALA 107 3.782 -9.231 -21.145 836 H ARG 108 H ARG 108 6.556 -12.434 -19.314 837 HA ARG 108 HA ARG 108 4.986 -14.366 -18.052 838 HB2 ARG 108 2HB ARG 108 4.820 -14.482 -20.895 839 HB3 ARG 108 3HB ARG 108 5.734 -15.881 -20.347 840 HG2 ARG 108 2HG ARG 108 2.972 -15.076 -19.459 841 HG3 ARG 108 3HG ARG 108 3.399 -16.439 -20.496 842 HD2 ARG 108 2HD ARG 108 4.897 -17.120 -18.457 843 HD3 ARG 108 3HD ARG 108 3.784 -16.089 -17.559 844 HE ARG 108 HE ARG 108 2.227 -17.743 -17.716 845 HH11 ARG 108 1HH1 ARG 108 4.584 -18.201 -20.238 846 HH12 ARG 108 2HH1 ARG 108 3.902 -19.698 -20.782 847 HH21 ARG 108 1HH2 ARG 108 1.321 -19.713 -18.424 848 HH22 ARG 108 2HH2 ARG 108 2.046 -20.557 -19.750 849 H GLN 109 H GLN 109 7.841 -13.689 -19.985 850 HA GLN 109 HA GLN 109 9.419 -15.851 -19.092 851 HB2 GLN 109 2HB GLN 109 10.174 -14.748 -21.029 852 HB3 GLN 109 3HB GLN 109 10.071 -13.163 -20.273 853 HG2 GLN 109 2HG GLN 109 11.961 -15.173 -19.158 854 HG3 GLN 109 3HG GLN 109 12.379 -14.331 -20.650 855 HE21 GLN 109 1HE2 GLN 109 13.249 -14.276 -17.689 856 HE22 GLN 109 2HE2 GLN 109 13.343 -12.586 -17.343 857 H SER 110 H SER 110 8.812 -12.644 -17.796 858 HA SER 110 HA SER 110 10.868 -12.677 -15.843 859 HB2 SER 110 2HB SER 110 8.395 -11.050 -16.291 860 HB3 SER 110 3HB SER 110 9.228 -10.932 -14.741 861 HG SER 110 HG SER 110 10.024 -10.087 -17.264 862 H GLY 111 H GLY 111 7.786 -14.181 -16.037 863 HA2 GLY 111 2HA GLY 111 7.140 -14.412 -13.309 864 HA3 GLY 111 3HA GLY 111 6.608 -15.504 -14.578 Start of MODEL 4 1 H1 MET 1 H MET 1 0.488 2.509 -4.048 2 HA MET 1 HA MET 1 3.024 3.341 -5.226 3 HB2 MET 1 2HB MET 1 1.472 4.064 -2.852 4 HB3 MET 1 3HB MET 1 3.191 3.886 -2.530 5 HG2 MET 1 2HG MET 1 3.771 5.631 -3.910 6 HG3 MET 1 3HG MET 1 2.296 5.504 -4.866 7 HE1 MET 1 3HE MET 1 3.191 8.187 -1.424 8 HE2 MET 1 1HE MET 1 3.284 6.499 -0.921 9 HE3 MET 1 2HE MET 1 4.240 7.065 -2.291 10 H SER 2 H SER 2 1.703 0.979 -3.000 11 HA SER 2 HA SER 2 4.346 -0.015 -2.302 12 HB2 SER 2 2HB SER 2 1.612 -0.336 -1.256 13 HB3 SER 2 3HB SER 2 2.588 -1.804 -1.209 14 HG SER 2 HG SER 2 2.683 0.257 0.439 15 H LYS 3 H LYS 3 1.361 -1.560 -3.502 16 HA LYS 3 HA LYS 3 1.016 -3.311 -4.912 17 HB2 LYS 3 2HB LYS 3 3.663 -2.578 -6.161 18 HB3 LYS 3 3HB LYS 3 2.303 -3.389 -6.926 19 HG2 LYS 3 2HG LYS 3 0.976 -1.292 -6.579 20 HG3 LYS 3 3HG LYS 3 2.473 -0.514 -6.059 21 HD2 LYS 3 2HD LYS 3 2.319 0.026 -8.326 22 HD3 LYS 3 3HD LYS 3 3.438 -1.339 -8.294 23 HE2 LYS 3 2HE LYS 3 2.117 -2.405 -9.726 24 HE3 LYS 3 3HE LYS 3 0.853 -2.430 -8.497 25 HZ1 LYS 3 3HZ LYS 3 0.422 -0.033 -9.363 26 HZ2 LYS 3 1HZ LYS 3 -0.191 -1.361 -10.214 27 HZ3 LYS 3 2HZ LYS 3 1.211 -0.585 -10.754 28 H ASN 4 H ASN 4 1.171 -5.012 -3.486 29 HA ASN 4 HA ASN 4 3.440 -6.089 -2.342 30 HB2 ASN 4 2HB ASN 4 1.053 -7.692 -3.279 31 HB3 ASN 4 3HB ASN 4 2.161 -8.103 -1.973 32 HD21 ASN 4 1HD2 ASN 4 -0.695 -6.521 -2.835 33 HD22 ASN 4 2HD2 ASN 4 -1.033 -5.778 -1.313 34 H GLU 5 H GLU 5 4.712 -7.949 -2.844 35 HA GLU 5 HA GLU 5 5.645 -7.995 -5.515 36 HB2 GLU 5 2HB GLU 5 6.179 -10.075 -3.393 37 HB3 GLU 5 3HB GLU 5 7.178 -9.693 -4.789 38 HG2 GLU 5 2HG GLU 5 7.579 -7.448 -3.835 39 HG3 GLU 5 3HG GLU 5 6.673 -7.931 -2.403 40 H ARG 6 H ARG 6 3.794 -10.353 -3.602 41 HA ARG 6 HA ARG 6 2.247 -11.211 -5.799 42 HB2 ARG 6 2HB ARG 6 4.809 -12.368 -5.715 43 HB3 ARG 6 3HB ARG 6 3.709 -13.603 -5.118 44 HG2 ARG 6 2HG ARG 6 2.377 -12.655 -7.309 45 HG3 ARG 6 3HG ARG 6 4.066 -12.551 -7.813 46 HD2 ARG 6 2HD ARG 6 2.592 -14.983 -6.819 47 HD3 ARG 6 3HD ARG 6 3.229 -14.704 -8.439 48 HE ARG 6 HE ARG 6 4.692 -15.593 -6.126 49 HH11 ARG 6 1HH1 ARG 6 4.898 -14.057 -9.243 50 HH12 ARG 6 2HH1 ARG 6 6.564 -14.469 -9.482 51 HH21 ARG 6 1HH2 ARG 6 6.886 -16.142 -6.428 52 HH22 ARG 6 2HH2 ARG 6 7.693 -15.656 -7.880 53 H ASP 7 H ASP 7 0.621 -12.673 -5.199 54 HA ASP 7 HA ASP 7 0.580 -13.445 -2.360 55 HB2 ASP 7 2HB ASP 7 -0.848 -11.379 -3.019 56 HB3 ASP 7 3HB ASP 7 -1.915 -12.555 -3.781 57 H THR 8 H THR 8 1.280 -15.020 -4.667 58 HA THR 8 HA THR 8 0.823 -17.010 -5.688 59 HB THR 8 HB THR 8 0.036 -18.752 -4.296 60 HG1 THR 8 HG1 THR 8 -1.080 -16.898 -2.463 61 HG21 THR 8 3HG2 THR 8 2.130 -17.712 -3.521 62 HG22 THR 8 1HG2 THR 8 1.203 -18.397 -2.187 63 HG23 THR 8 2HG2 THR 8 1.201 -16.654 -2.460 64 H SER 9 H SER 9 -0.960 -14.843 -6.345 65 HA SER 9 HA SER 9 -3.131 -16.416 -7.453 66 HB2 SER 9 2HB SER 9 -3.536 -14.798 -5.138 67 HB3 SER 9 3HB SER 9 -4.364 -14.030 -6.493 68 HG SER 9 HG SER 9 -5.118 -16.162 -5.101 69 H PHE 10 H PHE 10 -1.639 -13.226 -7.098 70 HA PHE 10 HA PHE 10 -2.156 -12.761 -9.958 71 HB2 PHE 10 2HB PHE 10 -2.494 -10.392 -9.512 72 HB3 PHE 10 3HB PHE 10 -3.634 -11.346 -8.569 73 HD1 PHE 10 HD2 PHE 10 -3.400 -11.533 -6.152 74 HD2 PHE 10 HD1 PHE 10 -0.759 -9.118 -8.456 75 HE1 PHE 10 HE2 PHE 10 -2.645 -10.407 -4.099 76 HE2 PHE 10 HE1 PHE 10 0.002 -7.989 -6.406 77 HZ PHE 10 HZ PHE 10 -0.943 -8.632 -4.225 78 H ASN 11 H ASN 11 -0.464 -12.064 -11.152 79 HA ASN 11 HA ASN 11 2.116 -11.861 -9.783 80 HB2 ASN 11 2HB ASN 11 1.670 -13.451 -11.760 81 HB3 ASN 11 3HB ASN 11 1.720 -12.006 -12.765 82 HD21 ASN 11 1HD2 ASN 11 3.562 -12.387 -13.859 83 HD22 ASN 11 2HD2 ASN 11 5.120 -12.521 -13.126 84 H LYS 12 H LYS 12 2.400 -9.805 -9.112 85 HA LYS 12 HA LYS 12 1.450 -7.479 -10.266 86 HB2 LYS 12 2HB LYS 12 2.545 -7.737 -8.004 87 HB3 LYS 12 3HB LYS 12 4.097 -7.713 -8.832 88 HG2 LYS 12 2HG LYS 12 3.094 -5.473 -9.839 89 HG3 LYS 12 3HG LYS 12 2.173 -5.518 -8.334 90 HD2 LYS 12 2HD LYS 12 3.963 -4.975 -7.103 91 HD3 LYS 12 3HD LYS 12 5.003 -6.114 -7.961 92 HE2 LYS 12 2HE LYS 12 5.323 -4.526 -9.754 93 HE3 LYS 12 3HE LYS 12 4.181 -3.408 -9.010 94 HZ1 LYS 12 3HZ LYS 12 6.129 -2.543 -8.262 95 HZ2 LYS 12 1HZ LYS 12 6.937 -4.029 -8.253 96 HZ3 LYS 12 2HZ LYS 12 5.851 -3.650 -7.014 97 H ASN 13 H ASN 13 4.308 -9.350 -11.058 98 HA ASN 13 HA ASN 13 5.677 -7.495 -12.626 99 HB2 ASN 13 2HB ASN 13 6.849 -9.464 -12.111 100 HB3 ASN 13 3HB ASN 13 5.537 -10.500 -12.664 101 HD21 ASN 13 1HD2 ASN 13 7.609 -7.925 -13.963 102 HD22 ASN 13 2HD2 ASN 13 7.951 -8.723 -15.457 103 H GLY 14 H GLY 14 3.213 -9.881 -13.580 104 HA2 GLY 14 2HA GLY 14 3.193 -9.310 -16.321 105 HA3 GLY 14 3HA GLY 14 1.846 -9.990 -15.419 106 H CYS 15 H CYS 15 1.504 -7.754 -13.648 107 HA CYS 15 HA CYS 15 -0.208 -6.169 -15.264 108 HB2 CYS 15 2HB CYS 15 -0.772 -6.581 -12.948 109 HB3 CYS 15 3HB CYS 15 0.721 -5.823 -12.408 110 HG CYS 15 HG CYS 15 -1.811 -4.160 -14.002 111 H LEU 16 H LEU 16 2.953 -5.608 -13.784 112 HA LEU 16 HA LEU 16 3.168 -2.880 -14.462 113 HB2 LEU 16 2HB LEU 16 4.637 -3.659 -12.817 114 HB3 LEU 16 3HB LEU 16 5.161 -5.021 -13.805 115 HG LEU 16 HG LEU 16 5.833 -2.496 -15.049 116 HD11 LEU 16 1HD1 LEU 16 7.647 -1.980 -13.365 117 HD12 LEU 16 2HD1 LEU 16 6.744 -2.977 -12.225 118 HD13 LEU 16 3HD1 LEU 16 6.005 -1.527 -12.906 119 HD21 LEU 16 3HD2 LEU 16 7.074 -4.202 -15.880 120 HD22 LEU 16 1HD2 LEU 16 7.087 -5.084 -14.353 121 HD23 LEU 16 2HD2 LEU 16 8.167 -3.709 -14.586 122 H VAL 17 H VAL 17 4.289 -5.818 -16.108 123 HA VAL 17 HA VAL 17 5.508 -4.469 -18.284 124 HB VAL 17 HB VAL 17 5.476 -6.659 -19.419 125 HG11 VAL 17 1HG1 VAL 17 7.299 -7.162 -18.254 126 HG12 VAL 17 2HG1 VAL 17 6.810 -5.962 -17.056 127 HG13 VAL 17 3HG1 VAL 17 6.332 -7.649 -16.862 128 HG21 VAL 17 3HG2 VAL 17 3.844 -7.504 -17.028 129 HG22 VAL 17 1HG2 VAL 17 3.338 -7.503 -18.718 130 HG23 VAL 17 2HG2 VAL 17 4.589 -8.620 -18.173 131 H PHE 18 H PHE 18 2.272 -5.729 -17.715 132 HA PHE 18 HA PHE 18 1.298 -5.503 -20.345 133 HB2 PHE 18 2HB PHE 18 0.201 -6.737 -18.436 134 HB3 PHE 18 3HB PHE 18 -0.325 -5.175 -17.818 135 HD1 PHE 18 HD1 PHE 18 -0.373 -7.082 -21.027 136 HD2 PHE 18 HD2 PHE 18 -2.450 -4.510 -18.347 137 HE1 PHE 18 HE1 PHE 18 -2.361 -7.187 -22.473 138 HE2 PHE 18 HE2 PHE 18 -4.441 -4.610 -19.788 139 HZ PHE 18 HZ PHE 18 -4.399 -5.951 -21.853 140 H VAL 19 H VAL 19 0.944 -3.285 -17.576 141 HA VAL 19 HA VAL 19 -0.360 -1.241 -19.005 142 HB VAL 19 HB VAL 19 1.340 -1.009 -16.518 143 HG11 VAL 19 1HG1 VAL 19 -0.087 1.031 -16.129 144 HG12 VAL 19 2HG1 VAL 19 1.093 1.166 -17.434 145 HG13 VAL 19 3HG1 VAL 19 -0.609 0.889 -17.807 146 HG21 VAL 19 3HG2 VAL 19 -1.452 -0.796 -16.020 147 HG22 VAL 19 1HG2 VAL 19 -1.163 -2.263 -16.955 148 HG23 VAL 19 2HG2 VAL 19 -0.317 -2.009 -15.429 149 H SER 20 H SER 20 3.062 -1.730 -18.204 150 HA SER 20 HA SER 20 4.076 0.649 -19.232 151 HB2 SER 20 2HB SER 20 5.254 -2.098 -18.891 152 HB3 SER 20 3HB SER 20 6.192 -0.802 -19.632 153 HG SER 20 HG SER 20 6.497 0.005 -17.725 154 H ARG 21 H ARG 21 3.667 -2.490 -20.856 155 HA ARG 21 HA ARG 21 4.640 -1.664 -23.365 156 HB2 ARG 21 2HB ARG 21 3.171 -3.981 -22.292 157 HB3 ARG 21 3HB ARG 21 2.895 -3.659 -23.998 158 HG2 ARG 21 2HG ARG 21 4.737 -4.845 -24.369 159 HG3 ARG 21 3HG ARG 21 5.627 -3.448 -23.760 160 HD2 ARG 21 2HD ARG 21 4.557 -5.496 -21.861 161 HD3 ARG 21 3HD ARG 21 6.055 -5.803 -22.739 162 HE ARG 21 HE ARG 21 5.720 -4.087 -20.505 163 HH11 ARG 21 1HH1 ARG 21 7.453 -4.405 -23.507 164 HH12 ARG 21 2HH1 ARG 21 8.802 -3.453 -22.981 165 HH21 ARG 21 1HH2 ARG 21 7.490 -2.832 -19.800 166 HH22 ARG 21 2HH2 ARG 21 8.822 -2.560 -20.871 167 H LEU 22 H LEU 22 1.416 -1.623 -21.941 168 HA LEU 22 HA LEU 22 -0.056 -0.987 -24.231 169 HB2 LEU 22 2HB LEU 22 -0.443 -0.818 -21.324 170 HB3 LEU 22 3HB LEU 22 -1.407 0.319 -22.266 171 HG LEU 22 HG LEU 22 -1.583 -2.331 -23.386 172 HD11 LEU 22 1HD1 LEU 22 -1.671 -2.125 -20.470 173 HD12 LEU 22 2HD1 LEU 22 -1.507 -3.542 -21.507 174 HD13 LEU 22 3HD1 LEU 22 -3.103 -2.863 -21.188 175 HD21 LEU 22 3HD2 LEU 22 -3.857 -0.985 -22.039 176 HD22 LEU 22 1HD2 LEU 22 -3.775 -1.770 -23.616 177 HD23 LEU 22 2HD2 LEU 22 -3.102 -0.154 -23.399 178 H TRP 23 H TRP 23 1.462 1.143 -21.825 179 HA TRP 23 HA TRP 23 0.629 3.590 -22.827 180 HB2 TRP 23 2HB TRP 23 3.193 2.809 -21.435 181 HB3 TRP 23 3HB TRP 23 2.772 4.479 -21.803 182 HD1 TRP 23 HD1 TRP 23 -0.455 3.669 -21.040 183 HE1 TRP 23 HE1 TRP 23 -1.045 3.775 -18.537 184 HE3 TRP 23 HE3 TRP 23 4.265 3.467 -19.087 185 HZ2 TRP 23 HZ2 TRP 23 0.312 3.774 -16.062 186 HZ3 TRP 23 HZ3 TRP 23 4.532 3.525 -16.641 187 HH2 TRP 23 HH2 TRP 23 2.596 3.676 -15.162 188 H ASP 24 H ASP 24 3.262 1.511 -23.880 189 HA ASP 24 HA ASP 24 4.253 3.448 -25.782 190 HB2 ASP 24 2HB ASP 24 5.214 1.025 -24.601 191 HB3 ASP 24 3HB ASP 24 5.268 0.856 -26.354 192 H LEU 25 H LEU 25 1.892 0.967 -25.715 193 HA LEU 25 HA LEU 25 1.893 0.361 -28.508 194 HB2 LEU 25 2HB LEU 25 0.485 -0.484 -26.150 195 HB3 LEU 25 3HB LEU 25 -0.654 -0.175 -27.459 196 HG LEU 25 HG LEU 25 -0.001 -2.525 -27.368 197 HD11 LEU 25 1HD1 LEU 25 -0.148 -2.661 -29.584 198 HD12 LEU 25 2HD1 LEU 25 1.400 -1.850 -29.817 199 HD13 LEU 25 3HD1 LEU 25 -0.069 -0.899 -29.599 200 HD21 LEU 25 3HD2 LEU 25 2.079 -3.022 -26.754 201 HD22 LEU 25 1HD2 LEU 25 2.635 -1.378 -27.069 202 HD23 LEU 25 2HD2 LEU 25 2.589 -2.559 -28.378 203 H ASP 26 H ASP 26 -0.085 2.439 -26.419 204 HA ASP 26 HA ASP 26 -1.734 3.380 -28.552 205 HB2 ASP 26 2HB ASP 26 -2.302 5.191 -26.791 206 HB3 ASP 26 3HB ASP 26 -2.753 3.523 -26.453 207 H LYS 27 H LYS 27 -0.419 4.184 -30.173 208 HA LYS 27 HA LYS 27 1.728 5.945 -29.840 209 HB2 LYS 27 2HB LYS 27 0.052 5.014 -32.060 210 HB3 LYS 27 3HB LYS 27 0.701 6.632 -32.295 211 HG2 LYS 27 2HG LYS 27 2.870 5.190 -31.382 212 HG3 LYS 27 3HG LYS 27 2.024 4.058 -32.441 213 HD2 LYS 27 2HD LYS 27 1.940 6.357 -33.906 214 HD3 LYS 27 3HD LYS 27 3.496 6.512 -33.088 215 HE2 LYS 27 2HE LYS 27 2.646 4.039 -34.580 216 HE3 LYS 27 3HE LYS 27 3.549 5.357 -35.326 217 HZ1 LYS 27 3HZ LYS 27 4.419 3.449 -33.264 218 HZ2 LYS 27 1HZ LYS 27 5.149 4.973 -33.349 219 HZ3 LYS 27 2HZ LYS 27 5.210 3.930 -34.679 220 H LEU 28 H LEU 28 -1.711 6.505 -29.905 221 HA LEU 28 HA LEU 28 -1.732 9.256 -30.435 222 HB2 LEU 28 2HB LEU 28 -3.945 9.207 -29.883 223 HB3 LEU 28 3HB LEU 28 -3.657 7.496 -30.193 224 HG LEU 28 HG LEU 28 -3.214 7.491 -27.571 225 HD11 LEU 28 1HD1 LEU 28 -4.772 9.969 -28.116 226 HD12 LEU 28 2HD1 LEU 28 -3.538 9.654 -26.896 227 HD13 LEU 28 3HD1 LEU 28 -5.166 9.008 -26.690 228 HD21 LEU 28 3HD2 LEU 28 -6.011 7.546 -28.687 229 HD22 LEU 28 1HD2 LEU 28 -5.423 6.650 -27.287 230 HD23 LEU 28 2HD2 LEU 28 -4.895 6.198 -28.908 231 H GLY 29 H GLY 29 -0.943 7.467 -27.559 232 HA2 GLY 29 2HA GLY 29 0.592 8.929 -26.124 233 HA3 GLY 29 3HA GLY 29 -0.814 9.978 -26.020 234 H MET 30 H MET 30 -2.885 8.380 -25.546 235 HA MET 30 HA MET 30 -2.248 6.448 -23.488 236 HB2 MET 30 2HB MET 30 -3.055 9.186 -22.867 237 HB3 MET 30 3HB MET 30 -4.110 7.981 -22.140 238 HG2 MET 30 2HG MET 30 -2.308 6.982 -20.970 239 HG3 MET 30 3HG MET 30 -1.120 7.915 -21.876 240 HE1 MET 30 3HE MET 30 -3.320 8.920 -18.122 241 HE2 MET 30 1HE MET 30 -3.326 7.450 -19.097 242 HE3 MET 30 2HE MET 30 -1.874 7.912 -18.210 243 H PHE 31 H PHE 31 -3.369 4.900 -24.599 244 HA PHE 31 HA PHE 31 -6.241 5.401 -25.026 245 HB2 PHE 31 2HB PHE 31 -4.631 4.835 -27.012 246 HB3 PHE 31 3HB PHE 31 -4.762 3.188 -26.405 247 HD1 PHE 31 HD1 PHE 31 -7.227 5.960 -26.796 248 HD2 PHE 31 HD2 PHE 31 -6.141 1.960 -27.763 249 HE1 PHE 31 HE1 PHE 31 -9.346 5.684 -28.017 250 HE2 PHE 31 HE2 PHE 31 -8.257 1.678 -28.986 251 HZ PHE 31 HZ PHE 31 -9.863 3.541 -29.115 252 H HIS 32 H HIS 32 -7.533 4.395 -23.649 253 HA HIS 32 HA HIS 32 -7.325 1.643 -23.035 254 HB2 HIS 32 2HB HIS 32 -7.010 2.023 -20.513 255 HB3 HIS 32 3HB HIS 32 -5.577 2.108 -21.533 256 HD1 HIS 32 HD1 HIS 32 -8.088 4.889 -20.990 257 HD2 HIS 32 HD2 HIS 32 -4.128 3.962 -20.145 258 HE1 HIS 32 HE1 HIS 32 -7.100 6.985 -20.012 259 H HIS 33 H HIS 33 -9.439 2.665 -24.045 260 HA HIS 33 HA HIS 33 -11.407 2.577 -21.924 261 HB2 HIS 33 2HB HIS 33 -12.475 4.652 -22.406 262 HB3 HIS 33 3HB HIS 33 -10.764 5.009 -22.191 263 HD1 HIS 33 HD1 HIS 33 -12.926 6.673 -23.898 264 HD2 HIS 33 HD2 HIS 33 -9.968 4.154 -25.369 265 HE1 HIS 33 HE1 HIS 33 -12.505 7.436 -26.257 266 HA PRO 34 HA PRO 34 -13.736 0.444 -24.972 267 HB2 PRO 34 2HB PRO 34 -16.270 0.973 -24.153 268 HB3 PRO 34 3HB PRO 34 -15.189 -0.126 -23.286 269 HG2 PRO 34 2HG PRO 34 -15.844 2.737 -22.705 270 HG3 PRO 34 3HG PRO 34 -15.696 1.373 -21.582 271 HD2 PRO 34 2HD PRO 34 -13.721 3.192 -21.931 272 HD3 PRO 34 3HD PRO 34 -13.394 1.491 -21.543 273 H VAL 35 H VAL 35 -13.999 1.023 -27.028 274 HA VAL 35 HA VAL 35 -14.573 3.701 -27.819 275 HB VAL 35 HB VAL 35 -14.660 1.243 -29.569 276 HG11 VAL 35 1HG1 VAL 35 -15.311 2.780 -31.061 277 HG12 VAL 35 2HG1 VAL 35 -14.828 4.125 -30.026 278 HG13 VAL 35 3HG1 VAL 35 -13.630 3.312 -31.033 279 HG21 VAL 35 3HG2 VAL 35 -12.226 2.223 -30.051 280 HG22 VAL 35 1HG2 VAL 35 -12.382 2.698 -28.359 281 HG23 VAL 35 2HG2 VAL 35 -12.530 1.001 -28.816 282 H SER 36 H SER 36 -16.405 4.552 -28.772 283 HA SER 36 HA SER 36 -18.891 3.359 -27.955 284 HB2 SER 36 2HB SER 36 -18.515 5.805 -27.843 285 HB3 SER 36 3HB SER 36 -18.403 5.853 -29.603 286 HG SER 36 HG SER 36 -20.613 5.682 -27.984 287 H ALA 37 H ALA 37 -20.478 2.482 -29.218 288 HA ALA 37 HA ALA 37 -19.759 1.131 -31.556 289 HB1 ALA 37 1HB ALA 37 -21.844 0.227 -31.505 290 HB2 ALA 37 2HB ALA 37 -21.787 0.866 -29.862 291 HB3 ALA 37 3HB ALA 37 -22.624 1.763 -31.129 292 H GLU 38 H GLU 38 -21.237 4.277 -31.073 293 HA GLU 38 HA GLU 38 -22.243 4.819 -33.581 294 HB2 GLU 38 2HB GLU 38 -21.865 7.188 -33.082 295 HB3 GLU 38 3HB GLU 38 -22.506 6.336 -31.684 296 HG2 GLU 38 2HG GLU 38 -19.954 6.100 -31.082 297 HG3 GLU 38 3HG GLU 38 -19.818 7.518 -32.119 298 H GLU 39 H GLU 39 -18.900 4.993 -32.465 299 HA GLU 39 HA GLU 39 -18.000 5.880 -35.091 300 HB2 GLU 39 2HB GLU 39 -16.387 5.295 -32.602 301 HB3 GLU 39 3HB GLU 39 -15.796 6.071 -34.064 302 HG2 GLU 39 2HG GLU 39 -17.777 7.746 -33.520 303 HG3 GLU 39 3HG GLU 39 -17.483 7.155 -31.886 304 H LEU 40 H LEU 40 -18.103 3.022 -33.110 305 HA LEU 40 HA LEU 40 -16.896 1.504 -35.319 306 HB2 LEU 40 2HB LEU 40 -16.081 1.627 -32.500 307 HB3 LEU 40 3HB LEU 40 -16.235 -0.001 -33.156 308 HG LEU 40 HG LEU 40 -14.752 1.242 -35.084 309 HD11 LEU 40 1HD1 LEU 40 -14.690 3.136 -33.215 310 HD12 LEU 40 2HD1 LEU 40 -13.313 2.789 -34.261 311 HD13 LEU 40 3HD1 LEU 40 -13.364 2.133 -32.625 312 HD21 LEU 40 3HD2 LEU 40 -13.185 -0.302 -34.533 313 HD22 LEU 40 1HD2 LEU 40 -14.514 -0.935 -33.562 314 HD23 LEU 40 2HD2 LEU 40 -13.269 0.061 -32.809 315 HA PRO 41 HA PRO 41 -21.057 -0.198 -34.270 316 HB2 PRO 41 2HB PRO 41 -21.765 -0.640 -36.854 317 HB3 PRO 41 3HB PRO 41 -21.995 0.916 -36.047 318 HG2 PRO 41 2HG PRO 41 -19.816 0.051 -37.909 319 HG3 PRO 41 3HG PRO 41 -20.702 1.586 -37.860 320 HD2 PRO 41 2HD PRO 41 -18.219 1.304 -36.818 321 HD3 PRO 41 3HD PRO 41 -19.422 2.415 -36.132 322 H ASP 42 H ASP 42 -18.277 -1.300 -35.968 323 HA ASP 42 HA ASP 42 -19.268 -4.071 -35.900 324 HB2 ASP 42 2HB ASP 42 -17.851 -4.604 -37.683 325 HB3 ASP 42 3HB ASP 42 -18.428 -2.991 -38.096 326 H TYR 43 H TYR 43 -17.792 -2.159 -33.886 327 HA TYR 43 HA TYR 43 -15.282 -3.142 -33.287 328 HB2 TYR 43 2HB TYR 43 -15.659 -1.417 -31.880 329 HB3 TYR 43 3HB TYR 43 -17.393 -1.713 -31.830 330 HD1 TYR 43 HD1 TYR 43 -14.156 -2.927 -30.459 331 HD2 TYR 43 HD2 TYR 43 -18.373 -2.693 -29.944 332 HE1 TYR 43 HE1 TYR 43 -13.924 -3.856 -28.194 333 HE2 TYR 43 HE2 TYR 43 -18.153 -3.621 -27.677 334 HH TYR 43 HH TYR 43 -15.771 -5.264 -26.586 335 H HIS 44 H HIS 44 -18.439 -4.378 -32.256 336 HA HIS 44 HA HIS 44 -17.501 -6.407 -30.559 337 HB2 HIS 44 2HB HIS 44 -19.949 -5.456 -31.142 338 HB3 HIS 44 3HB HIS 44 -19.978 -6.928 -32.109 339 HD1 HIS 44 HD1 HIS 44 -20.816 -8.906 -30.899 340 HD2 HIS 44 HD2 HIS 44 -19.148 -6.115 -28.313 341 HE1 HIS 44 HE1 HIS 44 -21.158 -9.841 -28.589 342 H THR 45 H THR 45 -17.932 -6.277 -34.032 343 HA THR 45 HA THR 45 -17.396 -9.111 -34.354 344 HB THR 45 HB THR 45 -17.443 -7.182 -36.646 345 HG1 THR 45 HG1 THR 45 -19.345 -6.561 -35.897 346 HG21 THR 45 3HG2 THR 45 -18.455 -9.065 -37.805 347 HG22 THR 45 1HG2 THR 45 -18.505 -9.990 -36.305 348 HG23 THR 45 2HG2 THR 45 -16.953 -9.569 -37.031 349 H VAL 46 H VAL 46 -15.587 -6.296 -34.001 350 HA VAL 46 HA VAL 46 -13.338 -7.249 -35.600 351 HB VAL 46 HB VAL 46 -13.685 -4.713 -33.997 352 HG11 VAL 46 1HG1 VAL 46 -11.315 -5.978 -35.042 353 HG12 VAL 46 2HG1 VAL 46 -11.581 -4.408 -35.803 354 HG13 VAL 46 3HG1 VAL 46 -11.469 -4.530 -34.047 355 HG21 VAL 46 3HG2 VAL 46 -14.418 -3.705 -35.867 356 HG22 VAL 46 1HG2 VAL 46 -13.296 -4.589 -36.901 357 HG23 VAL 46 2HG2 VAL 46 -14.807 -5.342 -36.394 358 H ILE 47 H ILE 47 -13.974 -6.272 -32.232 359 HA ILE 47 HA ILE 47 -11.676 -7.927 -31.415 360 HB ILE 47 HB ILE 47 -12.910 -5.601 -29.933 361 HG12 ILE 47 2HG1 ILE 47 -10.173 -5.724 -31.196 362 HG13 ILE 47 3HG1 ILE 47 -11.578 -5.103 -32.057 363 HG21 ILE 47 1HG2 ILE 47 -11.113 -7.723 -29.129 364 HG22 ILE 47 2HG2 ILE 47 -10.390 -6.131 -28.904 365 HG23 ILE 47 3HG2 ILE 47 -11.937 -6.511 -28.148 366 HD11 ILE 47 3HD1 ILE 47 -9.931 -3.855 -30.015 367 HD12 ILE 47 1HD1 ILE 47 -10.997 -3.129 -31.217 368 HD13 ILE 47 2HD1 ILE 47 -11.659 -3.722 -29.693 369 H LYS 48 H LYS 48 -14.902 -6.857 -30.354 370 HA LYS 48 HA LYS 48 -16.552 -7.925 -29.208 371 HB2 LYS 48 2HB LYS 48 -15.616 -9.825 -30.871 372 HB3 LYS 48 3HB LYS 48 -15.240 -10.581 -29.329 373 HG2 LYS 48 2HG LYS 48 -17.549 -10.478 -28.659 374 HG3 LYS 48 3HG LYS 48 -17.966 -9.576 -30.117 375 HD2 LYS 48 2HD LYS 48 -16.666 -12.264 -30.325 376 HD3 LYS 48 3HD LYS 48 -18.401 -12.135 -30.029 377 HE2 LYS 48 2HE LYS 48 -16.955 -10.813 -32.320 378 HE3 LYS 48 3HE LYS 48 -17.798 -12.357 -32.433 379 HZ1 LYS 48 3HZ LYS 48 -19.690 -10.795 -31.370 380 HZ2 LYS 48 1HZ LYS 48 -19.514 -11.069 -33.031 381 HZ3 LYS 48 2HZ LYS 48 -18.869 -9.671 -32.331 382 H ARG 49 H ARG 49 -13.735 -7.250 -28.057 383 HA ARG 49 HA ARG 49 -14.218 -8.543 -25.456 384 HB2 ARG 49 2HB ARG 49 -11.726 -8.339 -27.046 385 HB3 ARG 49 3HB ARG 49 -11.571 -8.048 -25.318 386 HG2 ARG 49 2HG ARG 49 -13.003 -10.473 -26.321 387 HG3 ARG 49 3HG ARG 49 -11.241 -10.437 -26.235 388 HD2 ARG 49 2HD ARG 49 -12.312 -9.417 -23.795 389 HD3 ARG 49 3HD ARG 49 -13.089 -10.957 -24.160 390 HE ARG 49 HE ARG 49 -10.281 -11.137 -24.505 391 HH11 ARG 49 1HH1 ARG 49 -12.755 -11.008 -22.059 392 HH12 ARG 49 2HH1 ARG 49 -11.826 -11.881 -20.887 393 HH21 ARG 49 1HH2 ARG 49 -9.047 -12.288 -22.971 394 HH22 ARG 49 2HH2 ARG 49 -9.716 -12.609 -21.406 395 HA PRO 50 HA PRO 50 -14.551 -4.071 -24.688 396 HB2 PRO 50 2HB PRO 50 -16.096 -4.360 -22.475 397 HB3 PRO 50 3HB PRO 50 -16.752 -4.400 -24.116 398 HG2 PRO 50 2HG PRO 50 -16.073 -6.674 -22.291 399 HG3 PRO 50 3HG PRO 50 -17.492 -6.461 -23.333 400 HD2 PRO 50 2HD PRO 50 -15.396 -8.027 -24.030 401 HD3 PRO 50 3HD PRO 50 -16.362 -7.137 -25.225 402 H VAL 51 H VAL 51 -12.794 -3.182 -23.808 403 HA VAL 51 HA VAL 51 -11.992 -4.037 -21.111 404 HB VAL 51 HB VAL 51 -10.445 -5.007 -22.812 405 HG11 VAL 51 1HG1 VAL 51 -9.581 -2.164 -23.304 406 HG12 VAL 51 2HG1 VAL 51 -8.998 -3.626 -24.102 407 HG13 VAL 51 3HG1 VAL 51 -10.645 -3.062 -24.387 408 HG21 VAL 51 3HG2 VAL 51 -8.919 -2.958 -21.261 409 HG22 VAL 51 1HG2 VAL 51 -9.849 -4.193 -20.412 410 HG23 VAL 51 2HG2 VAL 51 -8.560 -4.665 -21.519 411 H ASP 52 H ASP 52 -11.265 -2.428 -19.757 412 HA ASP 52 HA ASP 52 -11.015 0.285 -20.815 413 HB2 ASP 52 2HB ASP 52 -13.374 0.052 -20.149 414 HB3 ASP 52 3HB ASP 52 -12.868 -0.439 -18.535 415 H LEU 53 H LEU 53 -9.951 1.756 -19.365 416 HA LEU 53 HA LEU 53 -7.736 0.670 -18.063 417 HB2 LEU 53 2HB LEU 53 -7.547 2.882 -18.796 418 HB3 LEU 53 3HB LEU 53 -9.037 3.369 -17.990 419 HG LEU 53 HG LEU 53 -7.002 2.460 -16.119 420 HD11 LEU 53 1HD1 LEU 53 -5.457 4.265 -16.375 421 HD12 LEU 53 2HD1 LEU 53 -6.394 4.948 -17.704 422 HD13 LEU 53 3HD1 LEU 53 -5.558 3.410 -17.915 423 HD21 LEU 53 3HD2 LEU 53 -8.845 4.785 -16.476 424 HD22 LEU 53 1HD2 LEU 53 -7.545 4.864 -15.286 425 HD23 LEU 53 2HD2 LEU 53 -8.770 3.600 -15.170 426 H SER 54 H SER 54 -10.797 1.873 -16.741 427 HA SER 54 HA SER 54 -10.107 1.488 -14.021 428 HB2 SER 54 2HB SER 54 -11.967 2.957 -14.857 429 HB3 SER 54 3HB SER 54 -12.890 1.496 -15.208 430 HG SER 54 HG SER 54 -12.214 2.635 -12.752 431 H SER 55 H SER 55 -11.656 -0.549 -16.438 432 HA SER 55 HA SER 55 -12.551 -2.599 -14.755 433 HB2 SER 55 2HB SER 55 -13.417 -2.876 -16.858 434 HB3 SER 55 3HB SER 55 -11.934 -2.352 -17.654 435 HG SER 55 HG SER 55 -11.264 -4.349 -17.711 436 H ILE 56 H ILE 56 -9.495 -2.300 -16.553 437 HA ILE 56 HA ILE 56 -8.369 -4.712 -15.621 438 HB ILE 56 HB ILE 56 -7.011 -2.210 -16.629 439 HG12 ILE 56 2HG1 ILE 56 -7.348 -4.805 -18.110 440 HG13 ILE 56 3HG1 ILE 56 -8.626 -3.594 -18.115 441 HG21 ILE 56 1HG2 ILE 56 -5.444 -3.479 -15.310 442 HG22 ILE 56 2HG2 ILE 56 -5.893 -4.966 -16.142 443 HG23 ILE 56 3HG2 ILE 56 -5.060 -3.682 -17.019 444 HD11 ILE 56 3HD1 ILE 56 -7.044 -3.552 -20.067 445 HD12 ILE 56 1HD1 ILE 56 -7.258 -2.022 -19.216 446 HD13 ILE 56 2HD1 ILE 56 -5.806 -2.988 -18.944 447 H ARG 57 H ARG 57 -7.985 -1.354 -14.514 448 HA ARG 57 HA ARG 57 -6.154 -1.866 -12.458 449 HB2 ARG 57 2HB ARG 57 -6.556 0.389 -13.231 450 HB3 ARG 57 3HB ARG 57 -8.238 0.304 -12.726 451 HG2 ARG 57 2HG ARG 57 -7.035 1.606 -11.131 452 HG3 ARG 57 3HG ARG 57 -7.461 0.068 -10.379 453 HD2 ARG 57 2HD ARG 57 -5.268 -0.737 -10.518 454 HD3 ARG 57 3HD ARG 57 -4.805 0.475 -11.712 455 HE ARG 57 HE ARG 57 -5.522 1.826 -9.389 456 HH11 ARG 57 1HH1 ARG 57 -3.085 -0.421 -10.452 457 HH12 ARG 57 2HH1 ARG 57 -1.886 0.151 -9.340 458 HH21 ARG 57 1HH2 ARG 57 -3.953 2.589 -7.921 459 HH22 ARG 57 2HH2 ARG 57 -2.381 1.863 -7.900 460 H ASP 58 H ASP 58 -9.684 -1.911 -12.493 461 HA ASP 58 HA ASP 58 -9.957 -2.355 -9.686 462 HB2 ASP 58 2HB ASP 58 -11.772 -1.354 -10.974 463 HB3 ASP 58 3HB ASP 58 -11.910 -2.814 -11.951 464 H GLY 59 H GLY 59 -9.823 -4.428 -12.535 465 HA2 GLY 59 2HA GLY 59 -10.573 -6.840 -11.283 466 HA3 GLY 59 3HA GLY 59 -9.629 -6.704 -12.759 467 H ILE 60 H ILE 60 -7.418 -5.296 -11.688 468 HA ILE 60 HA ILE 60 -5.890 -7.462 -10.699 469 HB ILE 60 HB ILE 60 -5.266 -4.512 -10.826 470 HG12 ILE 60 2HG1 ILE 60 -5.581 -5.679 -12.993 471 HG13 ILE 60 3HG1 ILE 60 -3.931 -5.109 -12.766 472 HG21 ILE 60 1HG2 ILE 60 -2.856 -5.437 -10.638 473 HG22 ILE 60 2HG2 ILE 60 -3.814 -5.233 -9.172 474 HG23 ILE 60 3HG2 ILE 60 -3.630 -6.834 -9.889 475 HD11 ILE 60 3HD1 ILE 60 -4.004 -7.337 -13.752 476 HD12 ILE 60 1HD1 ILE 60 -3.222 -7.351 -12.171 477 HD13 ILE 60 2HD1 ILE 60 -4.878 -7.933 -12.341 478 H GLU 61 H GLU 61 -7.095 -4.497 -9.146 479 HA GLU 61 HA GLU 61 -6.033 -5.068 -6.590 480 HB2 GLU 61 2HB GLU 61 -6.639 -2.815 -7.082 481 HB3 GLU 61 3HB GLU 61 -8.283 -3.278 -7.500 482 HG2 GLU 61 2HG GLU 61 -8.971 -3.236 -5.374 483 HG3 GLU 61 3HG GLU 61 -7.491 -3.982 -4.773 484 H LYS 62 H LYS 62 -8.918 -6.074 -8.240 485 HA LYS 62 HA LYS 62 -10.178 -7.078 -5.829 486 HB2 LYS 62 2HB LYS 62 -10.943 -7.200 -8.747 487 HB3 LYS 62 3HB LYS 62 -11.885 -7.964 -7.473 488 HG2 LYS 62 2HG LYS 62 -11.233 -5.033 -7.465 489 HG3 LYS 62 3HG LYS 62 -12.667 -5.693 -8.254 490 HD2 LYS 62 2HD LYS 62 -13.714 -5.603 -6.293 491 HD3 LYS 62 3HD LYS 62 -12.602 -6.836 -5.693 492 HE2 LYS 62 2HE LYS 62 -11.096 -5.175 -4.869 493 HE3 LYS 62 3HE LYS 62 -11.997 -3.885 -5.664 494 HZ1 LYS 62 3HZ LYS 62 -13.671 -5.390 -3.927 495 HZ2 LYS 62 1HZ LYS 62 -13.353 -3.728 -3.934 496 HZ3 LYS 62 2HZ LYS 62 -12.334 -4.781 -3.089 497 H GLY 63 H GLY 63 -8.083 -8.220 -8.319 498 HA2 GLY 63 2HA GLY 63 -6.861 -10.208 -8.282 499 HA3 GLY 63 3HA GLY 63 -7.901 -10.795 -6.994 500 H THR 64 H THR 64 -9.229 -9.490 -9.937 501 HA THR 64 HA THR 64 -10.991 -11.484 -10.487 502 HB THR 64 HB THR 64 -9.478 -9.920 -12.588 503 HG1 THR 64 HG1 THR 64 -11.586 -9.283 -10.848 504 HG21 THR 64 3HG2 THR 64 -10.638 -11.530 -13.789 505 HG22 THR 64 1HG2 THR 64 -11.802 -10.207 -13.730 506 HG23 THR 64 2HG2 THR 64 -11.970 -11.579 -12.635 507 H TYR 65 H TYR 65 -7.612 -11.334 -11.545 508 HA TYR 65 HA TYR 65 -7.643 -13.650 -13.139 509 HB2 TYR 65 2HB TYR 65 -5.350 -12.388 -11.622 510 HB3 TYR 65 3HB TYR 65 -5.179 -13.614 -12.873 511 HD1 TYR 65 HD1 TYR 65 -6.194 -10.123 -12.222 512 HD2 TYR 65 HD2 TYR 65 -5.279 -13.040 -15.181 513 HE1 TYR 65 HE1 TYR 65 -6.127 -8.357 -13.933 514 HE2 TYR 65 HE2 TYR 65 -5.208 -11.282 -16.900 515 HH TYR 65 HH TYR 65 -5.364 -9.111 -17.321 516 H ALA 66 H ALA 66 -5.759 -15.376 -12.345 517 HA ALA 66 HA ALA 66 -6.621 -16.372 -9.714 518 HB1 ALA 66 1HB ALA 66 -7.016 -17.614 -12.308 519 HB2 ALA 66 2HB ALA 66 -6.148 -18.661 -11.185 520 HB3 ALA 66 3HB ALA 66 -7.727 -18.010 -10.743 521 H THR 67 H THR 67 -4.192 -16.421 -12.273 522 HA THR 67 HA THR 67 -2.043 -16.423 -10.416 523 HB THR 67 HB THR 67 -1.475 -18.792 -11.906 524 HG1 THR 67 HG1 THR 67 -3.122 -20.136 -11.209 525 HG21 THR 67 3HG2 THR 67 -1.652 -17.944 -9.062 526 HG22 THR 67 1HG2 THR 67 -0.293 -18.626 -9.954 527 HG23 THR 67 2HG2 THR 67 -1.601 -19.673 -9.403 528 H ASP 68 H ASP 68 0.040 -17.314 -11.868 529 HA ASP 68 HA ASP 68 0.467 -15.287 -13.746 530 HB2 ASP 68 2HB ASP 68 2.489 -16.598 -14.393 531 HB3 ASP 68 3HB ASP 68 2.334 -16.361 -12.654 532 H VAL 69 H VAL 69 -0.844 -18.498 -14.089 533 HA VAL 69 HA VAL 69 -0.563 -18.725 -16.903 534 HB VAL 69 HB VAL 69 -2.545 -20.059 -15.053 535 HG11 VAL 69 1HG1 VAL 69 -2.392 -20.022 -17.904 536 HG12 VAL 69 2HG1 VAL 69 -1.999 -21.641 -17.324 537 HG13 VAL 69 3HG1 VAL 69 -3.525 -20.885 -16.864 538 HG21 VAL 69 3HG2 VAL 69 -0.835 -21.999 -15.664 539 HG22 VAL 69 1HG2 VAL 69 0.260 -20.627 -15.836 540 HG23 VAL 69 2HG2 VAL 69 -0.567 -20.909 -14.304 541 H ASP 70 H ASP 70 -3.313 -17.780 -14.849 542 HA ASP 70 HA ASP 70 -5.105 -17.244 -16.947 543 HB2 ASP 70 2HB ASP 70 -5.544 -17.475 -14.402 544 HB3 ASP 70 3HB ASP 70 -5.169 -15.755 -14.337 545 H VAL 71 H VAL 71 -2.792 -15.180 -15.247 546 HA VAL 71 HA VAL 71 -3.551 -12.750 -16.474 547 HB VAL 71 HB VAL 71 -0.916 -13.579 -15.252 548 HG11 VAL 71 1HG1 VAL 71 -0.985 -10.868 -15.077 549 HG12 VAL 71 2HG1 VAL 71 -0.116 -11.771 -16.320 550 HG13 VAL 71 3HG1 VAL 71 -1.726 -11.132 -16.655 551 HG21 VAL 71 3HG2 VAL 71 -2.593 -11.587 -13.913 552 HG22 VAL 71 1HG2 VAL 71 -3.323 -13.188 -14.028 553 HG23 VAL 71 2HG2 VAL 71 -1.751 -12.989 -13.255 554 H GLN 72 H GLN 72 -1.136 -15.199 -17.308 555 HA GLN 72 HA GLN 72 0.059 -13.815 -19.443 556 HB2 GLN 72 2HB GLN 72 1.189 -15.709 -18.536 557 HB3 GLN 72 3HB GLN 72 -0.190 -16.758 -18.835 558 HG2 GLN 72 2HG GLN 72 1.135 -15.412 -21.136 559 HG3 GLN 72 3HG GLN 72 1.901 -16.816 -20.395 560 HE21 GLN 72 1HE2 GLN 72 -0.023 -18.507 -19.835 561 HE22 GLN 72 2HE2 GLN 72 -0.933 -18.948 -21.236 562 H ASN 73 H ASN 73 -2.585 -16.189 -19.396 563 HA ASN 73 HA ASN 73 -3.026 -16.245 -22.171 564 HB2 ASN 73 2HB ASN 73 -4.172 -17.429 -19.875 565 HB3 ASN 73 3HB ASN 73 -5.487 -16.639 -20.739 566 HD21 ASN 73 1HD2 ASN 73 -5.113 -19.441 -20.381 567 HD22 ASN 73 2HD2 ASN 73 -4.930 -20.139 -21.951 568 H ASP 74 H ASP 74 -4.494 -14.284 -19.608 569 HA ASP 74 HA ASP 74 -6.387 -12.949 -21.171 570 HB2 ASP 74 2HB ASP 74 -6.011 -12.959 -18.589 571 HB3 ASP 74 3HB ASP 74 -4.973 -11.572 -18.910 572 H VAL 75 H VAL 75 -3.061 -12.004 -20.334 573 HA VAL 75 HA VAL 75 -3.023 -9.568 -21.713 574 HB VAL 75 HB VAL 75 -0.727 -11.455 -21.168 575 HG11 VAL 75 1HG1 VAL 75 -0.878 -8.846 -22.495 576 HG12 VAL 75 2HG1 VAL 75 0.334 -8.950 -21.217 577 HG13 VAL 75 3HG1 VAL 75 0.373 -10.086 -22.566 578 HG21 VAL 75 3HG2 VAL 75 -0.953 -9.022 -19.576 579 HG22 VAL 75 1HG2 VAL 75 -2.309 -10.128 -19.358 580 HG23 VAL 75 2HG2 VAL 75 -0.660 -10.685 -19.068 581 H ALA 76 H ALA 76 -2.164 -12.837 -22.777 582 HA ALA 76 HA ALA 76 -1.176 -12.199 -25.309 583 HB1 ALA 76 1HB ALA 76 -2.248 -14.618 -25.769 584 HB2 ALA 76 2HB ALA 76 -0.737 -14.374 -24.891 585 HB3 ALA 76 3HB ALA 76 -2.242 -14.621 -24.005 586 H ARG 77 H ARG 77 -4.489 -13.013 -24.304 587 HA ARG 77 HA ARG 77 -5.656 -12.860 -26.854 588 HB2 ARG 77 2HB ARG 77 -6.555 -13.111 -24.111 589 HB3 ARG 77 3HB ARG 77 -7.621 -12.060 -25.033 590 HG2 ARG 77 2HG ARG 77 -7.504 -13.995 -26.793 591 HG3 ARG 77 3HG ARG 77 -7.040 -14.956 -25.388 592 HD2 ARG 77 2HD ARG 77 -9.110 -13.862 -24.273 593 HD3 ARG 77 3HD ARG 77 -9.601 -13.503 -25.928 594 HE ARG 77 HE ARG 77 -8.947 -16.197 -25.845 595 HH11 ARG 77 1HH1 ARG 77 -11.281 -14.054 -24.401 596 HH12 ARG 77 2HH1 ARG 77 -12.497 -15.278 -24.237 597 HH21 ARG 77 1HH2 ARG 77 -10.540 -17.816 -25.635 598 HH22 ARG 77 2HH2 ARG 77 -12.074 -17.417 -24.939 599 H MET 78 H MET 78 -5.229 -10.419 -24.322 600 HA MET 78 HA MET 78 -6.659 -8.346 -25.550 601 HB2 MET 78 2HB MET 78 -4.254 -8.135 -23.730 602 HB3 MET 78 3HB MET 78 -5.390 -6.841 -24.085 603 HG2 MET 78 2HG MET 78 -6.861 -9.089 -23.167 604 HG3 MET 78 3HG MET 78 -5.524 -8.802 -22.055 605 HE1 MET 78 3HE MET 78 -7.616 -7.628 -19.837 606 HE2 MET 78 1HE MET 78 -5.934 -7.990 -20.226 607 HE3 MET 78 2HE MET 78 -6.419 -6.332 -19.872 608 H ILE 79 H ILE 79 -3.283 -9.340 -25.850 609 HA ILE 79 HA ILE 79 -2.443 -7.161 -27.446 610 HB ILE 79 HB ILE 79 -1.303 -9.954 -27.291 611 HG12 ILE 79 2HG1 ILE 79 -0.053 -7.584 -25.982 612 HG13 ILE 79 3HG1 ILE 79 -1.474 -8.290 -25.220 613 HG21 ILE 79 1HG2 ILE 79 -0.183 -7.405 -28.438 614 HG22 ILE 79 2HG2 ILE 79 0.781 -8.843 -28.105 615 HG23 ILE 79 3HG2 ILE 79 -0.522 -8.910 -29.292 616 HD11 ILE 79 3HD1 ILE 79 -0.376 -10.400 -24.991 617 HD12 ILE 79 1HD1 ILE 79 1.002 -9.838 -25.937 618 HD13 ILE 79 2HD1 ILE 79 0.681 -9.143 -24.348 619 H THR 80 H THR 80 -3.565 -10.427 -28.264 620 HA THR 80 HA THR 80 -3.218 -10.273 -31.033 621 HB THR 80 HB THR 80 -5.527 -11.770 -29.832 622 HG1 THR 80 HG1 THR 80 -2.757 -12.263 -29.500 623 HG21 THR 80 3HG2 THR 80 -5.559 -12.487 -31.956 624 HG22 THR 80 1HG2 THR 80 -4.123 -13.418 -31.532 625 HG23 THR 80 2HG2 THR 80 -3.956 -11.835 -32.290 626 H ASN 81 H ASN 81 -6.040 -9.464 -29.033 627 HA ASN 81 HA ASN 81 -7.736 -8.747 -31.169 628 HB2 ASN 81 2HB ASN 81 -7.722 -8.285 -28.220 629 HB3 ASN 81 3HB ASN 81 -8.809 -7.313 -29.208 630 HD21 ASN 81 1HD2 ASN 81 -9.165 -9.559 -27.214 631 HD22 ASN 81 2HD2 ASN 81 -10.215 -10.670 -28.019 632 H ALA 82 H ALA 82 -5.564 -6.840 -29.119 633 HA ALA 82 HA ALA 82 -6.221 -4.304 -30.102 634 HB1 ALA 82 1HB ALA 82 -3.989 -5.481 -28.589 635 HB2 ALA 82 2HB ALA 82 -3.616 -3.995 -29.463 636 HB3 ALA 82 3HB ALA 82 -4.926 -4.018 -28.283 637 H LEU 83 H LEU 83 -3.918 -6.714 -31.266 638 HA LEU 83 HA LEU 83 -2.772 -5.051 -33.272 639 HB2 LEU 83 2HB LEU 83 -1.408 -6.812 -32.669 640 HB3 LEU 83 3HB LEU 83 -2.737 -7.969 -32.650 641 HG LEU 83 HG LEU 83 -1.965 -6.817 -35.275 642 HD11 LEU 83 1HD1 LEU 83 -0.040 -8.065 -35.560 643 HD12 LEU 83 2HD1 LEU 83 -0.393 -9.118 -34.191 644 HD13 LEU 83 3HD1 LEU 83 0.143 -7.461 -33.913 645 HD21 LEU 83 3HD2 LEU 83 -3.242 -8.486 -35.986 646 HD22 LEU 83 1HD2 LEU 83 -3.593 -8.893 -34.307 647 HD23 LEU 83 2HD2 LEU 83 -2.242 -9.665 -35.136 648 H GLU 84 H GLU 84 -5.387 -7.423 -33.233 649 HA GLU 84 HA GLU 84 -5.837 -7.453 -36.027 650 HB2 GLU 84 2HB GLU 84 -6.736 -9.265 -34.825 651 HB3 GLU 84 3HB GLU 84 -7.508 -8.214 -33.646 652 HG2 GLU 84 2HG GLU 84 -9.113 -7.483 -35.307 653 HG3 GLU 84 3HG GLU 84 -8.316 -8.465 -36.535 654 H TYR 85 H TYR 85 -6.908 -5.360 -33.447 655 HA TYR 85 HA TYR 85 -8.870 -4.030 -35.119 656 HB2 TYR 85 2HB TYR 85 -9.472 -4.246 -32.818 657 HB3 TYR 85 3HB TYR 85 -7.934 -3.577 -32.285 658 HD1 TYR 85 HD2 TYR 85 -10.219 -2.298 -34.927 659 HD2 TYR 85 HD1 TYR 85 -8.557 -1.686 -31.059 660 HE1 TYR 85 HE2 TYR 85 -11.226 -0.055 -34.856 661 HE2 TYR 85 HE1 TYR 85 -9.559 0.558 -30.976 662 HH TYR 85 HH TYR 85 -10.450 2.230 -32.362 663 H ASN 86 H ASN 86 -5.647 -3.448 -33.838 664 HA ASN 86 HA ASN 86 -5.512 -0.741 -34.777 665 HB2 ASN 86 2HB ASN 86 -3.506 -2.668 -33.628 666 HB3 ASN 86 3HB ASN 86 -3.000 -1.114 -34.286 667 HD21 ASN 86 1HD2 ASN 86 -2.312 -0.325 -32.325 668 HD22 ASN 86 2HD2 ASN 86 -3.402 0.107 -31.057 669 H ALA 87 H ALA 87 -4.937 -3.855 -36.126 670 HA ALA 87 HA ALA 87 -3.109 -3.115 -38.165 671 HB1 ALA 87 1HB ALA 87 -3.323 -5.423 -37.537 672 HB2 ALA 87 2HB ALA 87 -5.030 -5.430 -37.980 673 HB3 ALA 87 3HB ALA 87 -3.797 -5.252 -39.228 674 H LYS 88 H LYS 88 -3.774 -1.320 -39.285 675 HA LYS 88 HA LYS 88 -5.498 -1.682 -41.470 676 HB2 LYS 88 2HB LYS 88 -7.230 0.050 -40.769 677 HB3 LYS 88 3HB LYS 88 -7.369 -1.544 -40.039 678 HG2 LYS 88 2HG LYS 88 -6.602 -0.798 -37.970 679 HG3 LYS 88 3HG LYS 88 -5.903 0.671 -38.655 680 HD2 LYS 88 2HD LYS 88 -8.414 1.137 -39.324 681 HD3 LYS 88 3HD LYS 88 -8.735 0.043 -37.976 682 HE2 LYS 88 2HE LYS 88 -6.724 1.944 -37.228 683 HE3 LYS 88 3HE LYS 88 -8.128 2.790 -37.875 684 HZ1 LYS 88 3HZ LYS 88 -8.237 2.394 -35.456 685 HZ2 LYS 88 1HZ LYS 88 -8.259 0.727 -35.745 686 HZ3 LYS 88 2HZ LYS 88 -9.530 1.697 -36.296 687 H GLY 89 H GLY 89 -2.879 -0.638 -40.806 688 HA2 GLY 89 2HA GLY 89 -3.094 1.880 -42.260 689 HA3 GLY 89 3HA GLY 89 -2.358 1.963 -40.666 690 H SER 90 H SER 90 -1.843 -0.960 -42.354 691 HA SER 90 HA SER 90 -0.037 -1.877 -43.397 692 HB2 SER 90 2HB SER 90 -0.065 0.851 -44.318 693 HB3 SER 90 3HB SER 90 1.600 0.307 -44.115 694 HG SER 90 HG SER 90 -0.292 -0.462 -45.949 695 H THR 91 H THR 91 1.519 1.073 -42.185 696 HA THR 91 HA THR 91 3.690 -0.321 -41.039 697 HB THR 91 HB THR 91 2.850 2.437 -40.175 698 HG1 THR 91 HG1 THR 91 2.887 2.856 -42.270 699 HG21 THR 91 3HG2 THR 91 4.776 1.426 -39.047 700 HG22 THR 91 1HG2 THR 91 5.267 2.797 -40.040 701 HG23 THR 91 2HG2 THR 91 5.549 1.151 -40.607 702 H TRP 92 H TRP 92 0.749 1.073 -39.639 703 HA TRP 92 HA TRP 92 1.310 0.694 -36.947 704 HB2 TRP 92 2HB TRP 92 -1.027 1.237 -38.559 705 HB3 TRP 92 3HB TRP 92 -1.427 0.143 -37.238 706 HD1 TRP 92 HD1 TRP 92 -2.161 1.363 -35.123 707 HE1 TRP 92 HE1 TRP 92 -1.712 3.662 -34.058 708 HE3 TRP 92 HE3 TRP 92 1.137 3.219 -38.560 709 HZ2 TRP 92 HZ2 TRP 92 -0.164 5.959 -34.603 710 HZ3 TRP 92 HZ3 TRP 92 2.055 5.475 -38.215 711 HH2 TRP 92 HH2 TRP 92 1.417 6.816 -36.277 712 H TYR 93 H TYR 93 -0.130 -1.559 -39.274 713 HA TYR 93 HA TYR 93 -0.754 -3.637 -37.539 714 HB2 TYR 93 2HB TYR 93 -1.525 -3.716 -39.807 715 HB3 TYR 93 3HB TYR 93 0.121 -3.690 -40.430 716 HD1 TYR 93 HD2 TYR 93 -1.306 -5.759 -37.683 717 HD2 TYR 93 HD1 TYR 93 0.317 -5.690 -41.616 718 HE1 TYR 93 HE2 TYR 93 -1.281 -8.218 -37.710 719 HE2 TYR 93 HE1 TYR 93 0.345 -8.150 -41.654 720 HH TYR 93 HH TYR 93 -1.059 -10.043 -39.037 721 H GLN 94 H GLN 94 2.265 -3.054 -39.325 722 HA GLN 94 HA GLN 94 3.636 -5.322 -38.379 723 HB2 GLN 94 2HB GLN 94 4.218 -3.029 -39.996 724 HB3 GLN 94 3HB GLN 94 5.518 -3.253 -38.832 725 HG2 GLN 94 2HG GLN 94 5.741 -5.591 -39.573 726 HG3 GLN 94 3HG GLN 94 4.495 -5.302 -40.785 727 HE21 GLN 94 1HE2 GLN 94 4.940 -3.812 -42.480 728 HE22 GLN 94 2HE2 GLN 94 6.568 -3.493 -42.962 729 H GLU 95 H GLU 95 3.308 -2.056 -37.104 730 HA GLU 95 HA GLU 95 5.268 -2.207 -35.101 731 HB2 GLU 95 2HB GLU 95 4.370 -0.071 -35.653 732 HB3 GLU 95 3HB GLU 95 2.727 -0.599 -35.316 733 HG2 GLU 95 2HG GLU 95 4.747 -0.645 -33.128 734 HG3 GLU 95 3HG GLU 95 4.029 0.890 -33.614 735 H ALA 96 H ALA 96 1.796 -2.947 -35.007 736 HA ALA 96 HA ALA 96 1.739 -3.679 -32.272 737 HB1 ALA 96 1HB ALA 96 -0.381 -3.268 -32.940 738 HB2 ALA 96 2HB ALA 96 -0.102 -3.876 -34.572 739 HB3 ALA 96 3HB ALA 96 -0.376 -5.005 -33.245 740 H MET 97 H MET 97 2.242 -5.499 -35.254 741 HA MET 97 HA MET 97 2.184 -8.069 -34.047 742 HB2 MET 97 2HB MET 97 1.809 -7.835 -36.424 743 HB3 MET 97 3HB MET 97 3.397 -7.114 -36.644 744 HG2 MET 97 2HG MET 97 3.461 -9.385 -37.389 745 HG3 MET 97 3HG MET 97 4.422 -9.237 -35.919 746 HE1 MET 97 3HE MET 97 2.294 -12.308 -37.136 747 HE2 MET 97 1HE MET 97 3.939 -11.680 -37.025 748 HE3 MET 97 2HE MET 97 3.314 -12.741 -35.763 749 H SER 98 H SER 98 4.750 -5.756 -34.753 750 HA SER 98 HA SER 98 6.905 -7.474 -34.075 751 HB2 SER 98 2HB SER 98 8.296 -5.565 -34.268 752 HB3 SER 98 3HB SER 98 7.000 -5.308 -35.437 753 HG SER 98 HG SER 98 7.224 -3.426 -34.296 754 H PHE 99 H PHE 99 5.065 -5.050 -32.268 755 HA PHE 99 HA PHE 99 6.604 -5.230 -29.893 756 HB2 PHE 99 2HB PHE 99 4.467 -3.665 -30.818 757 HB3 PHE 99 3HB PHE 99 3.853 -4.492 -29.390 758 HD1 PHE 99 HD2 PHE 99 4.935 -4.162 -27.207 759 HD2 PHE 99 HD1 PHE 99 6.122 -1.965 -30.654 760 HE1 PHE 99 HE2 PHE 99 6.089 -2.534 -25.768 761 HE2 PHE 99 HE1 PHE 99 7.278 -0.334 -29.220 762 HZ PHE 99 HZ PHE 99 7.262 -0.616 -26.774 763 H ARG 100 H ARG 100 3.679 -6.853 -31.020 764 HA ARG 100 HA ARG 100 2.938 -8.148 -28.674 765 HB2 ARG 100 2HB ARG 100 1.456 -8.196 -30.543 766 HB3 ARG 100 3HB ARG 100 2.662 -8.969 -31.563 767 HG2 ARG 100 2HG ARG 100 1.886 -10.440 -29.128 768 HG3 ARG 100 3HG ARG 100 0.652 -10.285 -30.380 769 HD2 ARG 100 2HD ARG 100 2.744 -10.976 -31.905 770 HD3 ARG 100 3HD ARG 100 3.211 -11.767 -30.401 771 HE ARG 100 HE ARG 100 0.510 -12.338 -31.062 772 HH11 ARG 100 1HH1 ARG 100 3.793 -13.148 -31.889 773 HH12 ARG 100 2HH1 ARG 100 3.396 -14.736 -32.455 774 HH21 ARG 100 1HH2 ARG 100 -0.025 -14.427 -31.805 775 HH22 ARG 100 2HH2 ARG 100 1.224 -15.463 -32.408 776 H LYS 101 H LYS 101 5.588 -8.749 -30.810 777 HA LYS 101 HA LYS 101 6.086 -11.451 -30.102 778 HB2 LYS 101 2HB LYS 101 7.925 -9.317 -31.197 779 HB3 LYS 101 3HB LYS 101 8.362 -11.012 -31.038 780 HG2 LYS 101 2HG LYS 101 6.964 -11.675 -32.741 781 HG3 LYS 101 3HG LYS 101 5.919 -10.262 -32.575 782 HD2 LYS 101 2HD LYS 101 7.034 -9.653 -34.465 783 HD3 LYS 101 3HD LYS 101 8.163 -9.012 -33.269 784 HE2 LYS 101 2HE LYS 101 9.435 -10.214 -34.887 785 HE3 LYS 101 3HE LYS 101 9.408 -11.178 -33.411 786 HZ1 LYS 101 3HZ LYS 101 8.732 -12.036 -35.914 787 HZ2 LYS 101 1HZ LYS 101 7.237 -11.817 -35.153 788 HZ3 LYS 101 2HZ LYS 101 8.396 -12.836 -34.462 789 H THR 102 H THR 102 6.698 -8.443 -28.543 790 HA THR 102 HA THR 102 8.406 -9.801 -26.561 791 HB THR 102 HB THR 102 9.596 -7.976 -27.651 792 HG1 THR 102 HG1 THR 102 10.212 -6.933 -25.760 793 HG21 THR 102 3HG2 THR 102 8.739 -5.610 -27.147 794 HG22 THR 102 1HG2 THR 102 7.182 -6.379 -26.839 795 HG23 THR 102 2HG2 THR 102 7.934 -6.513 -28.429 796 H TYR 103 H TYR 103 5.375 -8.454 -27.107 797 HA TYR 103 HA TYR 103 4.794 -7.258 -24.630 798 HB2 TYR 103 2HB TYR 103 3.454 -7.391 -26.923 799 HB3 TYR 103 3HB TYR 103 2.650 -8.721 -26.098 800 HD1 TYR 103 HD2 TYR 103 2.447 -7.811 -23.354 801 HD2 TYR 103 HD1 TYR 103 1.984 -5.602 -26.960 802 HE1 TYR 103 HE2 TYR 103 0.996 -6.209 -22.180 803 HE2 TYR 103 HE1 TYR 103 0.533 -3.994 -25.796 804 HH TYR 103 HH TYR 103 -1.048 -4.257 -23.515 805 H LEU 104 H LEU 104 4.073 -10.546 -25.804 806 HA LEU 104 HA LEU 104 3.099 -11.452 -23.289 807 HB2 LEU 104 2HB LEU 104 3.171 -13.679 -24.296 808 HB3 LEU 104 3HB LEU 104 2.393 -12.499 -25.349 809 HG LEU 104 HG LEU 104 5.159 -12.648 -26.031 810 HD11 LEU 104 1HD1 LEU 104 5.168 -15.016 -26.823 811 HD12 LEU 104 2HD1 LEU 104 3.745 -15.298 -25.820 812 HD13 LEU 104 3HD1 LEU 104 5.272 -14.829 -25.072 813 HD21 LEU 104 3HD2 LEU 104 3.073 -12.027 -27.383 814 HD22 LEU 104 1HD2 LEU 104 2.867 -13.764 -27.612 815 HD23 LEU 104 2HD2 LEU 104 4.329 -12.965 -28.192 816 H ASP 105 H ASP 105 6.228 -11.506 -24.878 817 HA ASP 105 HA ASP 105 7.541 -13.342 -23.226 818 HB2 ASP 105 2HB ASP 105 8.306 -12.097 -25.416 819 HB3 ASP 105 3HB ASP 105 8.990 -10.942 -24.275 820 H LEU 106 H LEU 106 7.224 -9.816 -22.928 821 HA LEU 106 HA LEU 106 8.761 -9.555 -20.584 822 HB2 LEU 106 2HB LEU 106 6.858 -7.896 -22.099 823 HB3 LEU 106 3HB LEU 106 7.022 -7.492 -20.392 824 HG LEU 106 HG LEU 106 8.465 -6.152 -21.920 825 HD11 LEU 106 1HD1 LEU 106 10.645 -7.003 -20.550 826 HD12 LEU 106 2HD1 LEU 106 9.341 -7.677 -19.573 827 HD13 LEU 106 3HD1 LEU 106 9.398 -5.943 -19.892 828 HD21 LEU 106 3HD2 LEU 106 8.979 -8.544 -23.144 829 HD22 LEU 106 1HD2 LEU 106 10.444 -8.283 -22.197 830 HD23 LEU 106 2HD2 LEU 106 9.916 -7.064 -23.358 831 H ALA 107 H ALA 107 5.555 -10.685 -21.123 832 HA ALA 107 HA ALA 107 5.011 -10.606 -18.228 833 HB1 ALA 107 1HB ALA 107 2.838 -11.163 -20.178 834 HB2 ALA 107 2HB ALA 107 2.781 -10.324 -18.628 835 HB3 ALA 107 3HB ALA 107 3.441 -9.511 -20.047 836 H ARG 108 H ARG 108 6.650 -12.548 -18.640 837 HA ARG 108 HA ARG 108 5.295 -14.895 -17.967 838 HB2 ARG 108 2HB ARG 108 5.416 -14.421 -20.789 839 HB3 ARG 108 3HB ARG 108 6.422 -15.810 -20.401 840 HG2 ARG 108 2HG ARG 108 3.516 -15.465 -19.692 841 HG3 ARG 108 3HG ARG 108 4.171 -16.507 -20.956 842 HD2 ARG 108 2HD ARG 108 5.446 -17.721 -19.186 843 HD3 ARG 108 3HD ARG 108 4.588 -16.760 -17.982 844 HE ARG 108 HE ARG 108 2.770 -18.110 -18.272 845 HH11 ARG 108 1HH1 ARG 108 4.887 -18.477 -21.011 846 HH12 ARG 108 2HH1 ARG 108 3.973 -19.773 -21.709 847 HH21 ARG 108 1HH2 ARG 108 1.558 -19.815 -19.181 848 HH22 ARG 108 2HH2 ARG 108 2.079 -20.532 -20.668 849 H GLN 109 H GLN 109 8.143 -13.988 -19.917 850 HA GLN 109 HA GLN 109 9.831 -15.915 -18.674 851 HB2 GLN 109 2HB GLN 109 10.377 -15.218 -20.891 852 HB3 GLN 109 3HB GLN 109 10.402 -13.523 -20.421 853 HG2 GLN 109 2HG GLN 109 12.372 -13.961 -19.020 854 HG3 GLN 109 3HG GLN 109 12.360 -15.640 -19.558 855 HE21 GLN 109 1HE2 GLN 109 12.501 -15.964 -21.929 856 HE22 GLN 109 2HE2 GLN 109 13.528 -14.904 -22.827 857 H SER 110 H SER 110 9.137 -12.523 -18.118 858 HA SER 110 HA SER 110 11.262 -12.201 -16.195 859 HB2 SER 110 2HB SER 110 9.014 -10.447 -17.158 860 HB3 SER 110 3HB SER 110 9.989 -9.990 -15.761 861 HG SER 110 HG SER 110 10.927 -9.105 -17.577 862 H GLY 111 H GLY 111 7.959 -13.199 -16.174 863 HA2 GLY 111 2HA GLY 111 7.464 -12.631 -13.402 864 HA3 GLY 111 3HA GLY 111 6.466 -13.617 -14.460 Start of MODEL 5 1 H1 MET 1 H MET 1 0.835 -0.091 -9.098 2 HA MET 1 HA MET 1 3.112 -1.095 -7.576 3 HB2 MET 1 2HB MET 1 2.327 1.812 -7.748 4 HB3 MET 1 3HB MET 1 3.280 1.165 -6.419 5 HG2 MET 1 2HG MET 1 5.147 1.114 -7.631 6 HG3 MET 1 3HG MET 1 4.325 0.444 -9.038 7 HE1 MET 1 3HE MET 1 2.541 3.262 -10.545 8 HE2 MET 1 1HE MET 1 3.931 2.626 -11.425 9 HE3 MET 1 2HE MET 1 2.920 1.540 -10.472 10 H SER 2 H SER 2 1.754 -2.499 -6.499 11 HA SER 2 HA SER 2 -0.369 -1.267 -4.869 12 HB2 SER 2 2HB SER 2 -0.090 -4.067 -5.965 13 HB3 SER 2 3HB SER 2 -1.265 -3.642 -4.720 14 HG SER 2 HG SER 2 -1.741 -1.869 -6.435 15 H LYS 3 H LYS 3 -0.814 -2.870 -2.886 16 HA LYS 3 HA LYS 3 1.728 -3.657 -1.663 17 HB2 LYS 3 2HB LYS 3 -0.288 -1.920 -0.232 18 HB3 LYS 3 3HB LYS 3 1.274 -2.452 0.376 19 HG2 LYS 3 2HG LYS 3 2.140 -1.184 -1.775 20 HG3 LYS 3 3HG LYS 3 0.620 -0.310 -1.567 21 HD2 LYS 3 2HD LYS 3 2.078 0.962 -0.303 22 HD3 LYS 3 3HD LYS 3 1.388 -0.114 0.914 23 HE2 LYS 3 2HE LYS 3 3.576 -0.406 1.431 24 HE3 LYS 3 3HE LYS 3 3.460 -1.617 0.155 25 HZ1 LYS 3 3HZ LYS 3 4.526 1.141 -0.078 26 HZ2 LYS 3 1HZ LYS 3 4.223 0.142 -1.410 27 HZ3 LYS 3 2HZ LYS 3 5.377 -0.310 -0.260 28 H ASN 4 H ASN 4 0.095 -5.514 -2.614 29 HA ASN 4 HA ASN 4 -1.935 -6.357 -0.798 30 HB2 ASN 4 2HB ASN 4 -1.755 -8.532 -2.114 31 HB3 ASN 4 3HB ASN 4 -2.170 -7.093 -3.040 32 HD21 ASN 4 1HD2 ASN 4 -1.163 -6.954 -4.896 33 HD22 ASN 4 2HD2 ASN 4 0.420 -7.548 -5.250 34 H GLU 5 H GLU 5 -1.733 -8.812 -0.057 35 HA GLU 5 HA GLU 5 0.443 -8.827 1.850 36 HB2 GLU 5 2HB GLU 5 -1.849 -9.439 2.532 37 HB3 GLU 5 3HB GLU 5 -1.797 -10.814 1.439 38 HG2 GLU 5 2HG GLU 5 -1.337 -11.732 3.519 39 HG3 GLU 5 3HG GLU 5 0.250 -11.565 2.770 40 H ARG 6 H ARG 6 -0.733 -10.939 -0.756 41 HA ARG 6 HA ARG 6 1.348 -12.840 -0.538 42 HB2 ARG 6 2HB ARG 6 -0.587 -12.145 -2.738 43 HB3 ARG 6 3HB ARG 6 0.633 -13.395 -2.942 44 HG2 ARG 6 2HG ARG 6 -1.198 -14.613 -2.274 45 HG3 ARG 6 3HG ARG 6 -0.357 -14.358 -0.745 46 HD2 ARG 6 2HD ARG 6 -2.068 -13.207 0.098 47 HD3 ARG 6 3HD ARG 6 -2.169 -12.184 -1.335 48 HE ARG 6 HE ARG 6 -3.949 -13.430 -2.015 49 HH11 ARG 6 1HH1 ARG 6 -2.079 -15.316 0.235 50 HH12 ARG 6 2HH1 ARG 6 -3.198 -16.639 0.258 51 HH21 ARG 6 1HH2 ARG 6 -5.430 -15.165 -1.994 52 HH22 ARG 6 2HH2 ARG 6 -5.104 -16.552 -1.011 53 H ASP 7 H ASP 7 2.608 -13.256 -2.790 54 HA ASP 7 HA ASP 7 3.621 -10.988 -4.142 55 HB2 ASP 7 2HB ASP 7 5.952 -11.087 -3.196 56 HB3 ASP 7 3HB ASP 7 4.740 -10.425 -2.102 57 H THR 8 H THR 8 4.317 -14.263 -3.004 58 HA THR 8 HA THR 8 5.624 -14.861 -5.563 59 HB THR 8 HB THR 8 6.877 -15.470 -3.530 60 HG1 THR 8 HG1 THR 8 6.070 -17.924 -4.646 61 HG21 THR 8 3HG2 THR 8 5.497 -17.792 -2.698 62 HG22 THR 8 1HG2 THR 8 4.328 -16.472 -2.703 63 HG23 THR 8 2HG2 THR 8 5.817 -16.328 -1.769 64 H SER 9 H SER 9 2.717 -14.566 -5.240 65 HA SER 9 HA SER 9 1.893 -17.304 -5.957 66 HB2 SER 9 2HB SER 9 0.776 -16.603 -3.920 67 HB3 SER 9 3HB SER 9 0.265 -15.095 -4.677 68 HG SER 9 HG SER 9 -1.240 -16.138 -5.787 69 H PHE 10 H PHE 10 1.838 -13.922 -6.798 70 HA PHE 10 HA PHE 10 0.486 -14.601 -9.326 71 HB2 PHE 10 2HB PHE 10 -0.093 -12.142 -9.415 72 HB3 PHE 10 3HB PHE 10 -0.892 -13.056 -8.140 73 HD1 PHE 10 HD1 PHE 10 -0.172 -12.802 -5.799 74 HD2 PHE 10 HD2 PHE 10 1.430 -10.388 -8.917 75 HE1 PHE 10 HE1 PHE 10 0.670 -11.206 -4.126 76 HE2 PHE 10 HE2 PHE 10 2.275 -8.789 -7.249 77 HZ PHE 10 HZ PHE 10 1.896 -9.197 -4.850 78 H ASN 11 H ASN 11 1.181 -13.375 -11.222 79 HA ASN 11 HA ASN 11 4.080 -13.001 -11.190 80 HB2 ASN 11 2HB ASN 11 3.125 -14.534 -12.869 81 HB3 ASN 11 3HB ASN 11 2.172 -13.209 -13.530 82 HD21 ASN 11 1HD2 ASN 11 3.626 -14.373 -15.317 83 HD22 ASN 11 2HD2 ASN 11 5.056 -13.487 -15.709 84 H LYS 12 H LYS 12 3.898 -10.934 -10.084 85 HA LYS 12 HA LYS 12 2.537 -8.711 -11.104 86 HB2 LYS 12 2HB LYS 12 3.906 -7.380 -9.657 87 HB3 LYS 12 3HB LYS 12 3.565 -8.893 -8.827 88 HG2 LYS 12 2HG LYS 12 5.785 -9.728 -9.491 89 HG3 LYS 12 3HG LYS 12 6.122 -8.167 -10.243 90 HD2 LYS 12 2HD LYS 12 5.430 -7.282 -7.841 91 HD3 LYS 12 3HD LYS 12 5.952 -8.901 -7.367 92 HE2 LYS 12 2HE LYS 12 7.879 -7.594 -7.165 93 HE3 LYS 12 3HE LYS 12 8.071 -8.406 -8.717 94 HZ1 LYS 12 3HZ LYS 12 8.642 -6.153 -9.039 95 HZ2 LYS 12 1HZ LYS 12 7.260 -5.596 -8.237 96 HZ3 LYS 12 2HZ LYS 12 7.117 -6.350 -9.744 97 H ASN 13 H ASN 13 5.656 -10.092 -11.911 98 HA ASN 13 HA ASN 13 6.778 -7.971 -13.326 99 HB2 ASN 13 2HB ASN 13 7.661 -10.406 -12.705 100 HB3 ASN 13 3HB ASN 13 7.168 -10.738 -14.363 101 HD21 ASN 13 1HD2 ASN 13 8.196 -9.649 -16.061 102 HD22 ASN 13 2HD2 ASN 13 9.741 -8.903 -15.851 103 H GLY 14 H GLY 14 4.585 -10.533 -14.427 104 HA2 GLY 14 2HA GLY 14 4.571 -9.899 -17.152 105 HA3 GLY 14 3HA GLY 14 3.260 -10.694 -16.293 106 H CYS 15 H CYS 15 2.649 -8.584 -14.495 107 HA CYS 15 HA CYS 15 0.917 -7.049 -16.141 108 HB2 CYS 15 2HB CYS 15 1.637 -6.565 -13.244 109 HB3 CYS 15 3HB CYS 15 0.212 -5.968 -14.087 110 HG CYS 15 HG CYS 15 -0.519 -8.810 -14.599 111 H LEU 16 H LEU 16 3.927 -6.331 -14.431 112 HA LEU 16 HA LEU 16 3.984 -3.567 -14.926 113 HB2 LEU 16 2HB LEU 16 5.423 -4.545 -13.276 114 HB3 LEU 16 3HB LEU 16 6.209 -5.549 -14.493 115 HG LEU 16 HG LEU 16 6.667 -2.993 -15.409 116 HD11 LEU 16 1HD1 LEU 16 5.792 -2.502 -12.919 117 HD12 LEU 16 2HD1 LEU 16 7.010 -1.522 -13.735 118 HD13 LEU 16 3HD1 LEU 16 7.505 -2.769 -12.591 119 HD21 LEU 16 3HD2 LEU 16 8.950 -3.494 -14.125 120 HD22 LEU 16 1HD2 LEU 16 8.468 -4.361 -15.584 121 HD23 LEU 16 2HD2 LEU 16 8.211 -5.090 -13.999 122 H VAL 17 H VAL 17 5.397 -6.281 -16.730 123 HA VAL 17 HA VAL 17 6.558 -4.681 -18.762 124 HB VAL 17 HB VAL 17 6.768 -6.776 -20.041 125 HG11 VAL 17 1HG1 VAL 17 7.591 -6.635 -17.176 126 HG12 VAL 17 2HG1 VAL 17 7.958 -8.083 -18.115 127 HG13 VAL 17 3HG1 VAL 17 8.573 -6.514 -18.635 128 HG21 VAL 17 3HG2 VAL 17 6.006 -8.892 -18.979 129 HG22 VAL 17 1HG2 VAL 17 5.121 -7.931 -17.795 130 HG23 VAL 17 2HG2 VAL 17 4.685 -7.848 -19.501 131 H PHE 18 H PHE 18 3.434 -6.264 -18.407 132 HA PHE 18 HA PHE 18 2.514 -5.974 -21.037 133 HB2 PHE 18 2HB PHE 18 1.310 -7.404 -19.547 134 HB3 PHE 18 3HB PHE 18 1.040 -6.092 -18.405 135 HD1 PHE 18 HD1 PHE 18 0.272 -7.109 -21.900 136 HD2 PHE 18 HD2 PHE 18 -0.945 -4.912 -18.463 137 HE1 PHE 18 HE1 PHE 18 -1.883 -6.619 -22.981 138 HE2 PHE 18 HE2 PHE 18 -3.102 -4.419 -19.538 139 HZ PHE 18 HZ PHE 18 -3.574 -5.273 -21.800 140 H VAL 19 H VAL 19 1.750 -3.930 -18.212 141 HA VAL 19 HA VAL 19 0.447 -1.910 -19.658 142 HB VAL 19 HB VAL 19 1.911 -1.670 -17.026 143 HG11 VAL 19 1HG1 VAL 19 -0.047 0.143 -16.861 144 HG12 VAL 19 2HG1 VAL 19 1.562 0.525 -17.477 145 HG13 VAL 19 3HG1 VAL 19 0.242 0.198 -18.600 146 HG21 VAL 19 3HG2 VAL 19 -0.848 -1.699 -16.610 147 HG22 VAL 19 1HG2 VAL 19 -0.541 -2.989 -17.774 148 HG23 VAL 19 2HG2 VAL 19 0.300 -2.981 -16.224 149 H SER 20 H SER 20 3.827 -2.261 -18.669 150 HA SER 20 HA SER 20 4.769 0.246 -19.422 151 HB2 SER 20 2HB SER 20 6.080 -2.461 -19.287 152 HB3 SER 20 3HB SER 20 6.979 -1.036 -19.808 153 HG SER 20 HG SER 20 7.076 -0.401 -17.811 154 H ARG 21 H ARG 21 4.457 -2.719 -21.343 155 HA ARG 21 HA ARG 21 5.565 -1.624 -23.714 156 HB2 ARG 21 2HB ARG 21 4.653 -4.141 -22.853 157 HB3 ARG 21 3HB ARG 21 3.668 -3.730 -24.251 158 HG2 ARG 21 2HG ARG 21 5.583 -4.977 -24.972 159 HG3 ARG 21 3HG ARG 21 5.735 -3.311 -25.537 160 HD2 ARG 21 2HD ARG 21 7.350 -2.799 -23.892 161 HD3 ARG 21 3HD ARG 21 7.005 -4.272 -22.988 162 HE ARG 21 HE ARG 21 7.862 -5.214 -25.366 163 HH11 ARG 21 1HH1 ARG 21 9.163 -2.892 -23.122 164 HH12 ARG 21 2HH1 ARG 21 10.814 -3.230 -23.527 165 HH21 ARG 21 1HH2 ARG 21 10.031 -5.668 -25.908 166 HH22 ARG 21 2HH2 ARG 21 11.306 -4.809 -25.113 167 H LEU 22 H LEU 22 2.287 -1.875 -22.449 168 HA LEU 22 HA LEU 22 0.875 -1.120 -24.738 169 HB2 LEU 22 2HB LEU 22 0.367 -1.213 -21.848 170 HB3 LEU 22 3HB LEU 22 -0.612 -0.043 -22.730 171 HG LEU 22 HG LEU 22 -1.348 -1.905 -24.227 172 HD11 LEU 22 1HD1 LEU 22 -0.892 -4.144 -23.736 173 HD12 LEU 22 2HD1 LEU 22 -0.244 -3.758 -22.142 174 HD13 LEU 22 3HD1 LEU 22 0.670 -3.337 -23.590 175 HD21 LEU 22 3HD2 LEU 22 -2.845 -2.937 -22.518 176 HD22 LEU 22 1HD2 LEU 22 -2.813 -1.174 -22.485 177 HD23 LEU 22 2HD2 LEU 22 -1.920 -2.094 -21.274 178 H TRP 23 H TRP 23 2.218 0.871 -22.123 179 HA TRP 23 HA TRP 23 1.295 3.351 -23.020 180 HB2 TRP 23 2HB TRP 23 3.468 2.421 -21.223 181 HB3 TRP 23 3HB TRP 23 3.595 4.069 -21.831 182 HD1 TRP 23 HD1 TRP 23 0.140 2.644 -21.098 183 HE1 TRP 23 HE1 TRP 23 -0.850 3.867 -19.060 184 HE3 TRP 23 HE3 TRP 23 4.269 5.290 -19.655 185 HZ2 TRP 23 HZ2 TRP 23 0.007 5.709 -17.101 186 HZ3 TRP 23 HZ3 TRP 23 4.100 6.760 -17.689 187 HH2 TRP 23 HH2 TRP 23 2.012 6.964 -16.440 188 H ASP 24 H ASP 24 4.142 1.487 -23.918 189 HA ASP 24 HA ASP 24 5.405 3.518 -25.436 190 HB2 ASP 24 2HB ASP 24 5.710 0.581 -25.113 191 HB3 ASP 24 3HB ASP 24 6.376 1.292 -26.580 192 H LEU 25 H LEU 25 3.457 0.707 -26.444 193 HA LEU 25 HA LEU 25 3.413 1.275 -29.175 194 HB2 LEU 25 2HB LEU 25 2.698 -0.853 -28.110 195 HB3 LEU 25 3HB LEU 25 1.231 -0.043 -27.567 196 HG LEU 25 HG LEU 25 1.067 -1.529 -29.633 197 HD11 LEU 25 1HD1 LEU 25 0.036 0.969 -30.621 198 HD12 LEU 25 2HD1 LEU 25 -0.239 0.822 -28.885 199 HD13 LEU 25 3HD1 LEU 25 -0.827 -0.429 -29.980 200 HD21 LEU 25 3HD2 LEU 25 3.173 -0.599 -30.647 201 HD22 LEU 25 1HD2 LEU 25 2.268 0.874 -30.993 202 HD23 LEU 25 2HD2 LEU 25 1.777 -0.655 -31.723 203 H ASP 26 H ASP 26 1.530 2.572 -26.539 204 HA ASP 26 HA ASP 26 -0.471 3.796 -28.172 205 HB2 ASP 26 2HB ASP 26 0.354 4.321 -25.310 206 HB3 ASP 26 3HB ASP 26 -1.056 5.034 -26.089 207 H LYS 27 H LYS 27 1.069 4.753 -29.724 208 HA LYS 27 HA LYS 27 2.870 6.793 -29.060 209 HB2 LYS 27 2HB LYS 27 1.344 6.194 -31.591 210 HB3 LYS 27 3HB LYS 27 2.507 7.510 -31.482 211 HG2 LYS 27 2HG LYS 27 3.738 5.161 -30.472 212 HG3 LYS 27 3HG LYS 27 2.980 4.772 -32.017 213 HD2 LYS 27 2HD LYS 27 4.096 6.973 -32.825 214 HD3 LYS 27 3HD LYS 27 5.128 6.767 -31.408 215 HE2 LYS 27 2HE LYS 27 5.502 4.381 -32.283 216 HE3 LYS 27 3HE LYS 27 4.835 4.979 -33.801 217 HZ1 LYS 27 3HZ LYS 27 7.158 6.195 -32.410 218 HZ2 LYS 27 1HZ LYS 27 6.571 6.594 -33.946 219 HZ3 LYS 27 2HZ LYS 27 7.285 5.084 -33.680 220 H LEU 28 H LEU 28 -0.590 6.823 -29.541 221 HA LEU 28 HA LEU 28 -1.041 9.535 -29.948 222 HB2 LEU 28 2HB LEU 28 -2.883 8.132 -30.211 223 HB3 LEU 28 3HB LEU 28 -2.638 7.364 -28.644 224 HG LEU 28 HG LEU 28 -3.279 10.229 -28.522 225 HD11 LEU 28 1HD1 LEU 28 -5.170 8.237 -29.730 226 HD12 LEU 28 2HD1 LEU 28 -4.750 9.851 -30.302 227 HD13 LEU 28 3HD1 LEU 28 -5.743 9.659 -28.857 228 HD21 LEU 28 3HD2 LEU 28 -4.213 9.649 -26.541 229 HD22 LEU 28 1HD2 LEU 28 -3.160 8.248 -26.731 230 HD23 LEU 28 2HD2 LEU 28 -4.866 8.133 -27.165 231 H GLY 29 H GLY 29 -0.068 7.842 -27.088 232 HA2 GLY 29 2HA GLY 29 1.060 9.172 -25.379 233 HA3 GLY 29 3HA GLY 29 -0.180 10.395 -25.608 234 H MET 30 H MET 30 -2.459 9.633 -25.128 235 HA MET 30 HA MET 30 -2.422 7.827 -22.799 236 HB2 MET 30 2HB MET 30 -4.062 10.333 -23.211 237 HB3 MET 30 3HB MET 30 -4.272 9.213 -21.871 238 HG2 MET 30 2HG MET 30 -2.076 9.704 -21.042 239 HG3 MET 30 3HG MET 30 -1.721 10.693 -22.456 240 HE1 MET 30 3HE MET 30 -0.797 12.089 -20.752 241 HE2 MET 30 1HE MET 30 -1.588 13.580 -21.267 242 HE3 MET 30 2HE MET 30 -1.658 13.083 -19.576 243 H PHE 31 H PHE 31 -2.960 6.102 -24.266 244 HA PHE 31 HA PHE 31 -5.713 6.216 -25.298 245 HB2 PHE 31 2HB PHE 31 -3.535 5.605 -26.721 246 HB3 PHE 31 3HB PHE 31 -3.884 4.003 -26.079 247 HD1 PHE 31 HD1 PHE 31 -6.147 2.994 -26.509 248 HD2 PHE 31 HD2 PHE 31 -4.764 6.489 -28.506 249 HE1 PHE 31 HE1 PHE 31 -7.842 2.660 -28.261 250 HE2 PHE 31 HE2 PHE 31 -6.458 6.161 -30.261 251 HZ PHE 31 HZ PHE 31 -8.000 4.245 -30.139 252 H HIS 32 H HIS 32 -7.196 5.200 -24.139 253 HA HIS 32 HA HIS 32 -7.005 2.549 -23.266 254 HB2 HIS 32 2HB HIS 32 -7.085 3.093 -20.747 255 HB3 HIS 32 3HB HIS 32 -5.516 3.121 -21.547 256 HD1 HIS 32 HD1 HIS 32 -4.374 4.820 -20.080 257 HD2 HIS 32 HD2 HIS 32 -8.002 6.172 -21.588 258 HE1 HIS 32 HE1 HIS 32 -4.478 7.263 -19.492 259 H HIS 33 H HIS 33 -9.007 3.081 -24.532 260 HA HIS 33 HA HIS 33 -11.218 3.361 -22.684 261 HB2 HIS 33 2HB HIS 33 -10.495 5.451 -24.651 262 HB3 HIS 33 3HB HIS 33 -12.198 5.004 -24.597 263 HD1 HIS 33 HD1 HIS 33 -10.141 7.473 -23.293 264 HD2 HIS 33 HD2 HIS 33 -12.927 4.927 -21.556 265 HE1 HIS 33 HE1 HIS 33 -10.805 8.576 -21.133 266 HA PRO 34 HA PRO 34 -13.164 0.473 -25.350 267 HB2 PRO 34 2HB PRO 34 -15.773 1.209 -25.204 268 HB3 PRO 34 3HB PRO 34 -14.918 0.430 -23.867 269 HG2 PRO 34 2HG PRO 34 -15.523 3.331 -24.296 270 HG3 PRO 34 3HG PRO 34 -15.643 2.371 -22.810 271 HD2 PRO 34 2HD PRO 34 -13.551 4.012 -23.319 272 HD3 PRO 34 3HD PRO 34 -13.382 2.510 -22.388 273 H VAL 35 H VAL 35 -13.865 0.164 -27.443 274 HA VAL 35 HA VAL 35 -13.560 2.367 -29.241 275 HB VAL 35 HB VAL 35 -12.808 0.177 -29.932 276 HG11 VAL 35 1HG1 VAL 35 -13.981 -1.567 -29.170 277 HG12 VAL 35 2HG1 VAL 35 -15.460 -0.618 -29.013 278 HG13 VAL 35 3HG1 VAL 35 -15.020 -1.316 -30.572 279 HG21 VAL 35 3HG2 VAL 35 -15.172 0.583 -31.696 280 HG22 VAL 35 1HG2 VAL 35 -14.006 1.896 -31.530 281 HG23 VAL 35 2HG2 VAL 35 -13.480 0.319 -32.118 282 H SER 36 H SER 36 -15.087 3.368 -30.522 283 HA SER 36 HA SER 36 -17.770 3.403 -29.449 284 HB2 SER 36 2HB SER 36 -16.527 4.973 -31.721 285 HB3 SER 36 3HB SER 36 -18.130 5.261 -31.044 286 HG SER 36 HG SER 36 -17.203 5.892 -29.135 287 H ALA 37 H ALA 37 -19.513 2.436 -30.277 288 HA ALA 37 HA ALA 37 -19.280 0.499 -32.318 289 HB1 ALA 37 1HB ALA 37 -21.450 -0.072 -31.841 290 HB2 ALA 37 2HB ALA 37 -20.985 0.735 -30.343 291 HB3 ALA 37 3HB ALA 37 -21.942 1.596 -31.549 292 H GLU 38 H GLU 38 -20.390 3.832 -32.301 293 HA GLU 38 HA GLU 38 -21.728 3.981 -34.708 294 HB2 GLU 38 2HB GLU 38 -21.048 6.354 -34.774 295 HB3 GLU 38 3HB GLU 38 -21.621 5.864 -33.186 296 HG2 GLU 38 2HG GLU 38 -19.786 6.951 -32.493 297 HG3 GLU 38 3HG GLU 38 -18.996 5.421 -32.871 298 H GLU 39 H GLU 39 -18.248 4.047 -34.109 299 HA GLU 39 HA GLU 39 -17.700 4.289 -36.961 300 HB2 GLU 39 2HB GLU 39 -16.407 5.480 -35.056 301 HB3 GLU 39 3HB GLU 39 -15.616 3.927 -34.828 302 HG2 GLU 39 2HG GLU 39 -14.779 3.973 -37.088 303 HG3 GLU 39 3HG GLU 39 -15.659 5.465 -37.414 304 H LEU 40 H LEU 40 -17.635 1.927 -34.395 305 HA LEU 40 HA LEU 40 -16.630 -0.081 -36.304 306 HB2 LEU 40 2HB LEU 40 -16.075 0.424 -33.471 307 HB3 LEU 40 3HB LEU 40 -16.408 -1.264 -33.854 308 HG LEU 40 HG LEU 40 -14.606 -0.837 -35.735 309 HD11 LEU 40 1HD1 LEU 40 -12.857 0.643 -34.296 310 HD12 LEU 40 2HD1 LEU 40 -14.367 1.483 -33.950 311 HD13 LEU 40 3HD1 LEU 40 -13.840 1.270 -35.619 312 HD21 LEU 40 3HD2 LEU 40 -14.188 -1.420 -32.823 313 HD22 LEU 40 1HD2 LEU 40 -12.850 -1.460 -33.972 314 HD23 LEU 40 2HD2 LEU 40 -14.228 -2.540 -34.185 315 HA PRO 41 HA PRO 41 -21.053 -1.142 -35.552 316 HB2 PRO 41 2HB PRO 41 -21.505 -1.976 -38.095 317 HB3 PRO 41 3HB PRO 41 -21.629 -0.283 -37.603 318 HG2 PRO 41 2HG PRO 41 -19.375 -1.697 -38.975 319 HG3 PRO 41 3HG PRO 41 -20.059 -0.096 -39.309 320 HD2 PRO 41 2HD PRO 41 -17.771 -0.437 -37.903 321 HD3 PRO 41 3HD PRO 41 -18.895 0.900 -37.587 322 H ASP 42 H ASP 42 -18.254 -2.819 -36.638 323 HA ASP 42 HA ASP 42 -19.588 -5.411 -36.213 324 HB2 ASP 42 2HB ASP 42 -17.967 -6.428 -37.631 325 HB3 ASP 42 3HB ASP 42 -18.510 -4.973 -38.462 326 H TYR 43 H TYR 43 -18.370 -3.470 -34.240 327 HA TYR 43 HA TYR 43 -15.955 -4.341 -33.220 328 HB2 TYR 43 2HB TYR 43 -16.568 -3.296 -31.164 329 HB3 TYR 43 3HB TYR 43 -17.307 -2.353 -32.453 330 HD1 TYR 43 HD1 TYR 43 -19.778 -2.895 -33.011 331 HD2 TYR 43 HD2 TYR 43 -17.870 -4.054 -29.390 332 HE1 TYR 43 HE1 TYR 43 -21.978 -3.144 -31.939 333 HE2 TYR 43 HE2 TYR 43 -20.064 -4.307 -28.308 334 HH TYR 43 HH TYR 43 -23.074 -3.805 -30.117 335 H HIS 44 H HIS 44 -19.147 -5.747 -32.881 336 HA HIS 44 HA HIS 44 -18.543 -7.556 -30.795 337 HB2 HIS 44 2HB HIS 44 -20.810 -6.860 -32.244 338 HB3 HIS 44 3HB HIS 44 -20.535 -8.545 -32.677 339 HD1 HIS 44 HD1 HIS 44 -22.480 -6.763 -30.437 340 HD2 HIS 44 HD2 HIS 44 -19.890 -9.977 -29.962 341 HE1 HIS 44 HE1 HIS 44 -23.172 -7.872 -28.289 342 H THR 45 H THR 45 -18.105 -7.669 -34.261 343 HA THR 45 HA THR 45 -17.394 -10.482 -34.242 344 HB THR 45 HB THR 45 -16.873 -8.744 -36.612 345 HG1 THR 45 HG1 THR 45 -19.471 -9.610 -35.813 346 HG21 THR 45 3HG2 THR 45 -16.453 -11.248 -36.488 347 HG22 THR 45 1HG2 THR 45 -17.434 -10.687 -37.842 348 HG23 THR 45 2HG2 THR 45 -18.205 -11.440 -36.446 349 H VAL 46 H VAL 46 -15.786 -7.358 -34.727 350 HA VAL 46 HA VAL 46 -13.204 -8.457 -35.185 351 HB VAL 46 HB VAL 46 -14.028 -5.686 -34.312 352 HG11 VAL 46 1HG1 VAL 46 -11.855 -5.529 -33.728 353 HG12 VAL 46 2HG1 VAL 46 -11.381 -6.919 -34.706 354 HG13 VAL 46 3HG1 VAL 46 -11.617 -5.345 -35.466 355 HG21 VAL 46 3HG2 VAL 46 -12.956 -6.319 -37.010 356 HG22 VAL 46 1HG2 VAL 46 -14.619 -6.780 -36.647 357 HG23 VAL 46 2HG2 VAL 46 -14.123 -5.093 -36.516 358 H ILE 47 H ILE 47 -14.642 -6.853 -32.345 359 HA ILE 47 HA ILE 47 -12.943 -8.485 -30.619 360 HB ILE 47 HB ILE 47 -11.603 -6.519 -30.812 361 HG12 ILE 47 2HG1 ILE 47 -11.474 -5.808 -28.528 362 HG13 ILE 47 3HG1 ILE 47 -13.173 -6.176 -28.254 363 HG21 ILE 47 1HG2 ILE 47 -12.617 -4.664 -31.524 364 HG22 ILE 47 2HG2 ILE 47 -14.182 -5.184 -30.901 365 HG23 ILE 47 3HG2 ILE 47 -13.034 -4.376 -29.834 366 HD11 ILE 47 3HD1 ILE 47 -11.686 -7.827 -27.239 367 HD12 ILE 47 1HD1 ILE 47 -12.720 -8.543 -28.475 368 HD13 ILE 47 2HD1 ILE 47 -11.026 -8.203 -28.830 369 H LYS 48 H LYS 48 -14.868 -9.550 -30.037 370 HA LYS 48 HA LYS 48 -17.193 -8.258 -29.110 371 HB2 LYS 48 2HB LYS 48 -17.857 -10.425 -28.254 372 HB3 LYS 48 3HB LYS 48 -17.115 -10.622 -29.836 373 HG2 LYS 48 2HG LYS 48 -15.003 -11.265 -28.715 374 HG3 LYS 48 3HG LYS 48 -15.844 -11.182 -27.165 375 HD2 LYS 48 2HD LYS 48 -17.463 -12.872 -28.040 376 HD3 LYS 48 3HD LYS 48 -16.444 -13.031 -29.472 377 HE2 LYS 48 2HE LYS 48 -14.553 -13.460 -27.724 378 HE3 LYS 48 3HE LYS 48 -15.897 -13.844 -26.649 379 HZ1 LYS 48 3HZ LYS 48 -15.033 -15.229 -29.100 380 HZ2 LYS 48 1HZ LYS 48 -16.640 -15.350 -28.585 381 HZ3 LYS 48 2HZ LYS 48 -15.387 -15.875 -27.577 382 H ARG 49 H ARG 49 -14.234 -9.248 -27.509 383 HA ARG 49 HA ARG 49 -15.240 -8.734 -24.862 384 HB2 ARG 49 2HB ARG 49 -12.428 -9.205 -25.868 385 HB3 ARG 49 3HB ARG 49 -12.879 -9.087 -24.172 386 HG2 ARG 49 2HG ARG 49 -14.565 -11.017 -25.373 387 HG3 ARG 49 3HG ARG 49 -12.905 -11.362 -25.866 388 HD2 ARG 49 2HD ARG 49 -12.301 -11.092 -23.402 389 HD3 ARG 49 3HD ARG 49 -14.034 -11.176 -23.087 390 HE ARG 49 HE ARG 49 -12.302 -13.349 -23.723 391 HH11 ARG 49 1HH1 ARG 49 -15.561 -12.172 -24.065 392 HH12 ARG 49 2HH1 ARG 49 -16.255 -13.753 -24.207 393 HH21 ARG 49 1HH2 ARG 49 -13.205 -15.436 -23.909 394 HH22 ARG 49 2HH2 ARG 49 -14.915 -15.609 -24.117 395 HA PRO 50 HA PRO 50 -14.584 -4.326 -25.299 396 HB2 PRO 50 2HB PRO 50 -15.621 -3.683 -22.874 397 HB3 PRO 50 3HB PRO 50 -16.625 -4.063 -24.278 398 HG2 PRO 50 2HG PRO 50 -15.847 -5.813 -21.977 399 HG3 PRO 50 3HG PRO 50 -17.424 -5.642 -22.769 400 HD2 PRO 50 2HD PRO 50 -15.748 -7.704 -23.291 401 HD3 PRO 50 3HD PRO 50 -16.837 -7.025 -24.517 402 H VAL 51 H VAL 51 -13.198 -2.788 -24.375 403 HA VAL 51 HA VAL 51 -11.497 -3.685 -22.158 404 HB VAL 51 HB VAL 51 -10.278 -4.219 -24.212 405 HG11 VAL 51 1HG1 VAL 51 -11.480 -2.146 -25.369 406 HG12 VAL 51 2HG1 VAL 51 -9.959 -1.363 -24.936 407 HG13 VAL 51 3HG1 VAL 51 -9.952 -2.801 -25.957 408 HG21 VAL 51 3HG2 VAL 51 -8.272 -3.482 -23.431 409 HG22 VAL 51 1HG2 VAL 51 -8.835 -1.822 -23.234 410 HG23 VAL 51 2HG2 VAL 51 -9.270 -3.048 -22.043 411 H ASP 52 H ASP 52 -11.178 -2.153 -20.676 412 HA ASP 52 HA ASP 52 -11.259 0.661 -21.431 413 HB2 ASP 52 2HB ASP 52 -12.950 -0.295 -19.127 414 HB3 ASP 52 3HB ASP 52 -12.962 1.283 -19.910 415 H LEU 53 H LEU 53 -10.526 2.085 -19.672 416 HA LEU 53 HA LEU 53 -8.213 1.017 -18.408 417 HB2 LEU 53 2HB LEU 53 -8.355 3.326 -19.222 418 HB3 LEU 53 3HB LEU 53 -9.579 3.675 -18.003 419 HG LEU 53 HG LEU 53 -6.912 2.695 -17.105 420 HD11 LEU 53 1HD1 LEU 53 -5.841 4.354 -18.133 421 HD12 LEU 53 2HD1 LEU 53 -6.687 5.442 -17.034 422 HD13 LEU 53 3HD1 LEU 53 -7.346 5.122 -18.638 423 HD21 LEU 53 3HD2 LEU 53 -7.661 3.348 -15.114 424 HD22 LEU 53 1HD2 LEU 53 -9.237 3.576 -15.872 425 HD23 LEU 53 2HD2 LEU 53 -8.122 4.936 -15.731 426 H SER 54 H SER 54 -11.380 2.079 -17.226 427 HA SER 54 HA SER 54 -10.822 1.668 -14.480 428 HB2 SER 54 2HB SER 54 -12.744 3.015 -15.569 429 HB3 SER 54 3HB SER 54 -13.581 1.466 -15.668 430 HG SER 54 HG SER 54 -12.594 2.715 -13.317 431 H SER 55 H SER 55 -12.135 -0.390 -17.015 432 HA SER 55 HA SER 55 -13.041 -2.507 -15.428 433 HB2 SER 55 2HB SER 55 -13.010 -3.838 -17.432 434 HB3 SER 55 3HB SER 55 -13.477 -2.200 -17.887 435 HG SER 55 HG SER 55 -11.719 -3.429 -19.112 436 H ILE 56 H ILE 56 -9.886 -2.040 -17.004 437 HA ILE 56 HA ILE 56 -8.705 -4.413 -16.073 438 HB ILE 56 HB ILE 56 -7.407 -1.794 -16.831 439 HG12 ILE 56 2HG1 ILE 56 -7.285 -4.234 -18.529 440 HG13 ILE 56 3HG1 ILE 56 -8.822 -3.379 -18.460 441 HG21 ILE 56 1HG2 ILE 56 -6.184 -4.515 -16.395 442 HG22 ILE 56 2HG2 ILE 56 -5.353 -3.141 -17.122 443 HG23 ILE 56 3HG2 ILE 56 -5.892 -3.058 -15.445 444 HD11 ILE 56 3HD1 ILE 56 -6.204 -2.485 -19.558 445 HD12 ILE 56 1HD1 ILE 56 -7.815 -2.398 -20.269 446 HD13 ILE 56 2HD1 ILE 56 -7.362 -1.289 -18.975 447 H ARG 57 H ARG 57 -8.612 -1.106 -14.771 448 HA ARG 57 HA ARG 57 -6.937 -1.634 -12.588 449 HB2 ARG 57 2HB ARG 57 -7.385 0.636 -13.278 450 HB3 ARG 57 3HB ARG 57 -9.100 0.443 -12.942 451 HG2 ARG 57 2HG ARG 57 -7.990 1.737 -11.206 452 HG3 ARG 57 3HG ARG 57 -8.626 0.220 -10.567 453 HD2 ARG 57 2HD ARG 57 -6.605 -0.310 -9.820 454 HD3 ARG 57 3HD ARG 57 -5.985 -0.264 -11.470 455 HE ARG 57 HE ARG 57 -4.961 1.707 -10.964 456 HH11 ARG 57 1HH1 ARG 57 -7.542 1.185 -8.687 457 HH12 ARG 57 2HH1 ARG 57 -7.149 2.571 -7.725 458 HH21 ARG 57 1HH2 ARG 57 -4.433 3.535 -9.705 459 HH22 ARG 57 2HH2 ARG 57 -5.381 3.907 -8.305 460 H ASP 58 H ASP 58 -10.440 -1.865 -12.948 461 HA ASP 58 HA ASP 58 -10.946 -2.451 -10.202 462 HB2 ASP 58 2HB ASP 58 -12.676 -1.509 -11.675 463 HB3 ASP 58 3HB ASP 58 -12.656 -2.981 -12.642 464 H GLY 59 H GLY 59 -10.444 -4.396 -13.106 465 HA2 GLY 59 2HA GLY 59 -11.142 -6.897 -12.033 466 HA3 GLY 59 3HA GLY 59 -10.053 -6.639 -13.388 467 H ILE 60 H ILE 60 -7.957 -5.323 -12.257 468 HA ILE 60 HA ILE 60 -6.471 -7.389 -11.099 469 HB ILE 60 HB ILE 60 -5.964 -4.413 -11.073 470 HG12 ILE 60 2HG1 ILE 60 -6.034 -5.407 -13.310 471 HG13 ILE 60 3HG1 ILE 60 -4.390 -4.937 -12.893 472 HG21 ILE 60 1HG2 ILE 60 -4.550 -6.611 -9.784 473 HG22 ILE 60 2HG2 ILE 60 -3.523 -5.647 -10.844 474 HG23 ILE 60 3HG2 ILE 60 -4.411 -4.871 -9.533 475 HD11 ILE 60 3HD1 ILE 60 -3.905 -7.280 -12.313 476 HD12 ILE 60 1HD1 ILE 60 -5.531 -7.719 -12.834 477 HD13 ILE 60 2HD1 ILE 60 -4.378 -7.070 -13.999 478 H GLU 61 H GLU 61 -8.082 -4.601 -9.614 479 HA GLU 61 HA GLU 61 -7.186 -5.106 -6.979 480 HB2 GLU 61 2HB GLU 61 -9.490 -3.528 -8.104 481 HB3 GLU 61 3HB GLU 61 -9.225 -3.668 -6.372 482 HG2 GLU 61 2HG GLU 61 -6.878 -2.857 -7.941 483 HG3 GLU 61 3HG GLU 61 -8.212 -1.705 -7.916 484 H LYS 62 H LYS 62 -9.846 -6.322 -8.878 485 HA LYS 62 HA LYS 62 -11.259 -7.470 -6.659 486 HB2 LYS 62 2HB LYS 62 -11.493 -7.846 -9.645 487 HB3 LYS 62 3HB LYS 62 -12.533 -8.665 -8.487 488 HG2 LYS 62 2HG LYS 62 -12.297 -5.698 -8.375 489 HG3 LYS 62 3HG LYS 62 -13.291 -6.442 -9.629 490 HD2 LYS 62 2HD LYS 62 -13.574 -7.025 -6.684 491 HD3 LYS 62 3HD LYS 62 -14.536 -5.825 -7.550 492 HE2 LYS 62 2HE LYS 62 -14.607 -8.271 -9.006 493 HE3 LYS 62 3HE LYS 62 -14.981 -8.615 -7.319 494 HZ1 LYS 62 3HZ LYS 62 -16.850 -7.911 -8.964 495 HZ2 LYS 62 1HZ LYS 62 -16.300 -6.345 -8.633 496 HZ3 LYS 62 2HZ LYS 62 -16.857 -7.330 -7.376 497 H GLY 63 H GLY 63 -8.487 -8.322 -8.387 498 HA2 GLY 63 2HA GLY 63 -7.091 -10.130 -7.810 499 HA3 GLY 63 3HA GLY 63 -8.478 -10.948 -7.106 500 H THR 64 H THR 64 -8.658 -9.541 -10.283 501 HA THR 64 HA THR 64 -9.689 -11.721 -11.572 502 HB THR 64 HB THR 64 -7.894 -9.588 -12.741 503 HG1 THR 64 HG1 THR 64 -10.651 -9.820 -12.225 504 HG21 THR 64 3HG2 THR 64 -7.863 -10.944 -14.541 505 HG22 THR 64 1HG2 THR 64 -9.522 -10.391 -14.769 506 HG23 THR 64 2HG2 THR 64 -9.207 -11.922 -13.952 507 H TYR 65 H TYR 65 -6.302 -10.981 -10.979 508 HA TYR 65 HA TYR 65 -5.357 -13.198 -12.566 509 HB2 TYR 65 2HB TYR 65 -3.136 -12.545 -11.790 510 HB3 TYR 65 3HB TYR 65 -4.027 -11.134 -12.351 511 HD1 TYR 65 HD1 TYR 65 -2.611 -12.835 -9.434 512 HD2 TYR 65 HD2 TYR 65 -4.754 -9.419 -10.792 513 HE1 TYR 65 HE1 TYR 65 -2.184 -11.720 -7.283 514 HE2 TYR 65 HE2 TYR 65 -4.333 -8.294 -8.645 515 HH TYR 65 HH TYR 65 -2.231 -8.740 -6.716 516 H ALA 66 H ALA 66 -3.365 -14.307 -11.079 517 HA ALA 66 HA ALA 66 -4.035 -15.106 -8.476 518 HB1 ALA 66 1HB ALA 66 -5.941 -16.218 -9.341 519 HB2 ALA 66 2HB ALA 66 -5.011 -16.935 -10.657 520 HB3 ALA 66 3HB ALA 66 -4.742 -17.466 -8.997 521 H THR 67 H THR 67 -2.499 -15.882 -11.529 522 HA THR 67 HA THR 67 0.002 -16.393 -10.243 523 HB THR 67 HB THR 67 -0.385 -18.760 -11.802 524 HG1 THR 67 HG1 THR 67 -2.483 -18.968 -11.339 525 HG21 THR 67 3HG2 THR 67 1.240 -18.280 -9.919 526 HG22 THR 67 1HG2 THR 67 0.445 -19.852 -9.865 527 HG23 THR 67 2HG2 THR 67 -0.104 -18.550 -8.810 528 H ASP 68 H ASP 68 1.433 -17.635 -12.132 529 HA ASP 68 HA ASP 68 1.820 -15.682 -14.097 530 HB2 ASP 68 2HB ASP 68 2.686 -18.557 -14.384 531 HB3 ASP 68 3HB ASP 68 3.477 -17.115 -15.015 532 H VAL 69 H VAL 69 -0.023 -18.677 -14.142 533 HA VAL 69 HA VAL 69 -0.521 -18.777 -16.915 534 HB VAL 69 HB VAL 69 -2.165 -19.859 -14.623 535 HG11 VAL 69 1HG1 VAL 69 -3.736 -20.343 -16.116 536 HG12 VAL 69 2HG1 VAL 69 -2.747 -19.701 -17.430 537 HG13 VAL 69 3HG1 VAL 69 -2.575 -21.386 -16.938 538 HG21 VAL 69 3HG2 VAL 69 -0.079 -20.924 -14.553 539 HG22 VAL 69 1HG2 VAL 69 -1.103 -22.031 -15.467 540 HG23 VAL 69 2HG2 VAL 69 0.046 -20.992 -16.310 541 H ASP 70 H ASP 70 -2.486 -17.494 -14.238 542 HA ASP 70 HA ASP 70 -4.637 -16.588 -15.776 543 HB2 ASP 70 2HB ASP 70 -3.539 -15.572 -13.150 544 HB3 ASP 70 3HB ASP 70 -5.065 -15.034 -13.846 545 H VAL 71 H VAL 71 -1.648 -14.950 -14.813 546 HA VAL 71 HA VAL 71 -2.273 -12.425 -15.892 547 HB VAL 71 HB VAL 71 0.402 -13.732 -15.396 548 HG11 VAL 71 1HG1 VAL 71 -0.309 -11.075 -16.520 549 HG12 VAL 71 2HG1 VAL 71 1.046 -11.167 -15.393 550 HG13 VAL 71 3HG1 VAL 71 1.064 -12.124 -16.875 551 HG21 VAL 71 3HG2 VAL 71 -0.070 -13.285 -13.268 552 HG22 VAL 71 1HG2 VAL 71 -0.015 -11.570 -13.678 553 HG23 VAL 71 2HG2 VAL 71 -1.550 -12.437 -13.717 554 H GLN 72 H GLN 72 -0.689 -15.264 -17.278 555 HA GLN 72 HA GLN 72 0.110 -14.091 -19.705 556 HB2 GLN 72 2HB GLN 72 1.039 -16.204 -19.035 557 HB3 GLN 72 3HB GLN 72 -0.553 -16.952 -19.003 558 HG2 GLN 72 2HG GLN 72 -0.706 -16.548 -21.460 559 HG3 GLN 72 3HG GLN 72 0.974 -16.014 -21.417 560 HE21 GLN 72 1HE2 GLN 72 0.933 -17.871 -23.038 561 HE22 GLN 72 2HE2 GLN 72 1.313 -19.434 -22.409 562 H ASN 73 H ASN 73 -2.823 -15.908 -18.851 563 HA ASN 73 HA ASN 73 -4.022 -15.833 -21.385 564 HB2 ASN 73 2HB ASN 73 -5.582 -15.787 -18.809 565 HB3 ASN 73 3HB ASN 73 -5.999 -16.576 -20.327 566 HD21 ASN 73 1HD2 ASN 73 -5.887 -17.719 -17.685 567 HD22 ASN 73 2HD2 ASN 73 -4.726 -18.997 -17.746 568 H ASP 74 H ASP 74 -4.304 -13.637 -18.615 569 HA ASP 74 HA ASP 74 -6.242 -11.923 -19.677 570 HB2 ASP 74 2HB ASP 74 -5.613 -11.850 -17.326 571 HB3 ASP 74 3HB ASP 74 -3.990 -11.313 -17.752 572 H VAL 75 H VAL 75 -2.694 -11.689 -19.789 573 HA VAL 75 HA VAL 75 -2.525 -9.297 -21.223 574 HB VAL 75 HB VAL 75 -0.618 -11.641 -21.270 575 HG11 VAL 75 1HG1 VAL 75 0.334 -10.492 -22.943 576 HG12 VAL 75 2HG1 VAL 75 -0.582 -9.026 -22.588 577 HG13 VAL 75 3HG1 VAL 75 0.880 -9.398 -21.673 578 HG21 VAL 75 3HG2 VAL 75 0.088 -11.015 -19.254 579 HG22 VAL 75 1HG2 VAL 75 0.208 -9.328 -19.753 580 HG23 VAL 75 2HG2 VAL 75 -1.326 -9.965 -19.161 581 H ALA 76 H ALA 76 -2.676 -12.650 -22.369 582 HA ALA 76 HA ALA 76 -2.328 -12.165 -25.095 583 HB1 ALA 76 1HB ALA 76 -3.588 -14.346 -23.509 584 HB2 ALA 76 2HB ALA 76 -3.834 -14.313 -25.255 585 HB3 ALA 76 3HB ALA 76 -2.200 -14.396 -24.597 586 H ARG 77 H ARG 77 -5.319 -12.314 -23.180 587 HA ARG 77 HA ARG 77 -7.118 -11.906 -25.284 588 HB2 ARG 77 2HB ARG 77 -7.196 -11.872 -22.376 589 HB3 ARG 77 3HB ARG 77 -8.280 -10.677 -23.077 590 HG2 ARG 77 2HG ARG 77 -9.431 -12.775 -22.687 591 HG3 ARG 77 3HG ARG 77 -9.343 -12.421 -24.414 592 HD2 ARG 77 2HD ARG 77 -7.047 -13.938 -23.567 593 HD3 ARG 77 3HD ARG 77 -8.537 -14.761 -23.109 594 HE ARG 77 HE ARG 77 -8.577 -13.838 -25.815 595 HH11 ARG 77 1HH1 ARG 77 -7.485 -16.392 -23.716 596 HH12 ARG 77 2HH1 ARG 77 -7.442 -17.584 -24.972 597 HH21 ARG 77 1HH2 ARG 77 -8.523 -15.399 -27.478 598 HH22 ARG 77 2HH2 ARG 77 -8.032 -17.018 -27.112 599 H MET 78 H MET 78 -5.619 -9.556 -23.072 600 HA MET 78 HA MET 78 -6.837 -7.260 -24.095 601 HB2 MET 78 2HB MET 78 -4.053 -7.451 -22.935 602 HB3 MET 78 3HB MET 78 -5.065 -6.014 -23.011 603 HG2 MET 78 2HG MET 78 -6.461 -8.122 -21.665 604 HG3 MET 78 3HG MET 78 -4.876 -7.880 -20.935 605 HE1 MET 78 3HE MET 78 -8.195 -6.415 -19.340 606 HE2 MET 78 1HE MET 78 -7.120 -7.811 -19.422 607 HE3 MET 78 2HE MET 78 -6.715 -6.447 -18.381 608 H ILE 79 H ILE 79 -3.931 -8.977 -25.112 609 HA ILE 79 HA ILE 79 -3.001 -7.058 -26.956 610 HB ILE 79 HB ILE 79 -2.598 -10.048 -26.880 611 HG12 ILE 79 2HG1 ILE 79 -0.496 -8.008 -26.276 612 HG13 ILE 79 3HG1 ILE 79 -1.717 -8.352 -25.056 613 HG21 ILE 79 1HG2 ILE 79 -1.901 -8.103 -28.912 614 HG22 ILE 79 2HG2 ILE 79 -0.483 -8.931 -28.270 615 HG23 ILE 79 3HG2 ILE 79 -1.813 -9.864 -28.956 616 HD11 ILE 79 3HD1 ILE 79 0.395 -9.644 -24.820 617 HD12 ILE 79 1HD1 ILE 79 -1.060 -10.634 -24.939 618 HD13 ILE 79 2HD1 ILE 79 0.004 -10.457 -26.335 619 H THR 80 H THR 80 -5.130 -9.866 -27.332 620 HA THR 80 HA THR 80 -5.431 -9.708 -30.124 621 HB THR 80 HB THR 80 -7.497 -10.736 -28.172 622 HG1 THR 80 HG1 THR 80 -6.381 -12.654 -28.200 623 HG21 THR 80 3HG2 THR 80 -8.593 -11.570 -29.939 624 HG22 THR 80 1HG2 THR 80 -7.107 -12.142 -30.695 625 HG23 THR 80 2HG2 THR 80 -7.621 -10.469 -30.914 626 H ASN 81 H ASN 81 -7.365 -8.337 -27.480 627 HA ASN 81 HA ASN 81 -9.355 -7.176 -29.096 628 HB2 ASN 81 2HB ASN 81 -8.477 -5.989 -26.476 629 HB3 ASN 81 3HB ASN 81 -10.098 -6.076 -27.158 630 HD21 ASN 81 1HD2 ASN 81 -9.193 -6.904 -24.546 631 HD22 ASN 81 2HD2 ASN 81 -9.544 -8.590 -24.414 632 H ALA 82 H ALA 82 -6.264 -5.953 -27.904 633 HA ALA 82 HA ALA 82 -6.568 -3.290 -28.770 634 HB1 ALA 82 1HB ALA 82 -4.105 -3.170 -28.584 635 HB2 ALA 82 2HB ALA 82 -4.871 -3.879 -27.162 636 HB3 ALA 82 3HB ALA 82 -4.066 -4.916 -28.339 637 H LEU 83 H LEU 83 -4.609 -5.883 -30.253 638 HA LEU 83 HA LEU 83 -4.023 -4.544 -32.620 639 HB2 LEU 83 2HB LEU 83 -3.220 -6.559 -33.432 640 HB3 LEU 83 3HB LEU 83 -3.083 -6.741 -31.684 641 HG LEU 83 HG LEU 83 -5.467 -7.882 -32.013 642 HD11 LEU 83 1HD1 LEU 83 -4.462 -7.581 -34.688 643 HD12 LEU 83 2HD1 LEU 83 -6.014 -8.210 -34.136 644 HD13 LEU 83 3HD1 LEU 83 -4.627 -9.289 -34.278 645 HD21 LEU 83 3HD2 LEU 83 -4.369 -9.995 -31.899 646 HD22 LEU 83 1HD2 LEU 83 -3.372 -8.832 -31.025 647 HD23 LEU 83 2HD2 LEU 83 -2.910 -9.344 -32.648 648 H GLU 84 H GLU 84 -6.871 -6.340 -31.676 649 HA GLU 84 HA GLU 84 -8.010 -6.624 -34.249 650 HB2 GLU 84 2HB GLU 84 -9.001 -6.823 -31.446 651 HB3 GLU 84 3HB GLU 84 -10.193 -6.662 -32.728 652 HG2 GLU 84 2HG GLU 84 -9.554 -8.676 -33.733 653 HG3 GLU 84 3HG GLU 84 -8.041 -8.744 -32.832 654 H TYR 85 H TYR 85 -8.210 -4.106 -31.791 655 HA TYR 85 HA TYR 85 -10.105 -2.565 -33.355 656 HB2 TYR 85 2HB TYR 85 -10.439 -2.457 -31.000 657 HB3 TYR 85 3HB TYR 85 -8.743 -2.091 -30.705 658 HD1 TYR 85 HD2 TYR 85 -11.349 -0.617 -32.949 659 HD2 TYR 85 HD1 TYR 85 -8.500 0.036 -29.858 660 HE1 TYR 85 HE2 TYR 85 -11.866 1.787 -32.989 661 HE2 TYR 85 HE1 TYR 85 -9.010 2.442 -29.888 662 HH TYR 85 HH TYR 85 -9.994 4.091 -31.782 663 H ASN 86 H ASN 86 -6.713 -2.846 -33.003 664 HA ASN 86 HA ASN 86 -6.238 -0.202 -34.171 665 HB2 ASN 86 2HB ASN 86 -4.494 -2.206 -32.774 666 HB3 ASN 86 3HB ASN 86 -3.772 -0.973 -33.803 667 HD21 ASN 86 1HD2 ASN 86 -5.408 -1.633 -30.839 668 HD22 ASN 86 2HD2 ASN 86 -5.228 -0.062 -30.143 669 H ALA 87 H ALA 87 -6.964 -3.167 -35.271 670 HA ALA 87 HA ALA 87 -5.003 -3.637 -37.263 671 HB1 ALA 87 1HB ALA 87 -7.706 -4.678 -36.646 672 HB2 ALA 87 2HB ALA 87 -7.109 -4.905 -38.290 673 HB3 ALA 87 3HB ALA 87 -6.192 -5.540 -36.924 674 H LYS 88 H LYS 88 -4.589 -1.836 -38.490 675 HA LYS 88 HA LYS 88 -6.722 -1.061 -40.350 676 HB2 LYS 88 2HB LYS 88 -6.682 0.706 -38.706 677 HB3 LYS 88 3HB LYS 88 -4.931 0.830 -38.818 678 HG2 LYS 88 2HG LYS 88 -5.014 1.855 -40.906 679 HG3 LYS 88 3HG LYS 88 -6.668 1.319 -41.207 680 HD2 LYS 88 2HD LYS 88 -7.262 2.776 -39.154 681 HD3 LYS 88 3HD LYS 88 -5.689 3.526 -39.431 682 HE2 LYS 88 2HE LYS 88 -6.612 3.651 -41.914 683 HE3 LYS 88 3HE LYS 88 -8.162 3.615 -41.075 684 HZ1 LYS 88 3HZ LYS 88 -7.398 5.518 -39.744 685 HZ2 LYS 88 1HZ LYS 88 -7.470 5.876 -41.396 686 HZ3 LYS 88 2HZ LYS 88 -5.976 5.581 -40.659 687 H GLY 89 H GLY 89 -3.390 0.074 -39.827 688 HA2 GLY 89 2HA GLY 89 -1.963 -1.371 -41.618 689 HA3 GLY 89 3HA GLY 89 -2.820 -0.229 -42.643 690 H SER 90 H SER 90 -0.764 0.618 -43.271 691 HA SER 90 HA SER 90 0.884 2.186 -43.218 692 HB2 SER 90 2HB SER 90 -1.187 3.400 -42.012 693 HB3 SER 90 3HB SER 90 -0.050 3.388 -40.665 694 HG SER 90 HG SER 90 0.329 4.513 -43.240 695 H THR 91 H THR 91 2.345 3.357 -41.242 696 HA THR 91 HA THR 91 4.056 1.279 -40.421 697 HB THR 91 HB THR 91 4.108 3.902 -38.991 698 HG1 THR 91 HG1 THR 91 4.889 3.552 -41.713 699 HG21 THR 91 3HG2 THR 91 6.570 3.172 -40.188 700 HG22 THR 91 1HG2 THR 91 5.882 1.717 -39.466 701 HG23 THR 91 2HG2 THR 91 6.142 3.155 -38.477 702 H TRP 92 H TRP 92 1.340 2.813 -38.885 703 HA TRP 92 HA TRP 92 1.872 2.127 -36.213 704 HB2 TRP 92 2HB TRP 92 -0.355 3.178 -37.736 705 HB3 TRP 92 3HB TRP 92 -0.910 2.025 -36.525 706 HD1 TRP 92 HD1 TRP 92 -1.448 3.111 -34.282 707 HE1 TRP 92 HE1 TRP 92 -0.668 5.203 -33.001 708 HE3 TRP 92 HE3 TRP 92 2.064 4.822 -37.580 709 HZ2 TRP 92 HZ2 TRP 92 1.189 7.301 -33.343 710 HZ3 TRP 92 HZ3 TRP 92 3.298 6.878 -37.029 711 HH2 TRP 92 HH2 TRP 92 2.867 8.091 -34.954 712 H TYR 93 H TYR 93 0.274 0.362 -38.820 713 HA TYR 93 HA TYR 93 -0.612 -1.810 -37.233 714 HB2 TYR 93 2HB TYR 93 -1.619 -1.407 -39.390 715 HB3 TYR 93 3HB TYR 93 -0.068 -1.603 -40.200 716 HD1 TYR 93 HD1 TYR 93 -2.273 -3.536 -37.874 717 HD2 TYR 93 HD2 TYR 93 0.294 -3.611 -41.266 718 HE1 TYR 93 HE1 TYR 93 -2.737 -5.934 -38.164 719 HE2 TYR 93 HE2 TYR 93 -0.163 -6.009 -41.566 720 HH TYR 93 HH TYR 93 -2.033 -7.619 -40.946 721 H GLN 94 H GLN 94 2.331 -1.210 -39.085 722 HA GLN 94 HA GLN 94 3.437 -3.792 -38.824 723 HB2 GLN 94 2HB GLN 94 4.248 -2.195 -40.484 724 HB3 GLN 94 3HB GLN 94 4.812 -1.127 -39.206 725 HG2 GLN 94 2HG GLN 94 5.949 -3.705 -38.809 726 HG3 GLN 94 3HG GLN 94 6.200 -3.221 -40.485 727 HE21 GLN 94 1HE2 GLN 94 8.058 -2.249 -40.789 728 HE22 GLN 94 2HE2 GLN 94 8.866 -1.207 -39.672 729 H GLU 95 H GLU 95 3.906 -0.821 -36.931 730 HA GLU 95 HA GLU 95 5.747 -1.938 -35.101 731 HB2 GLU 95 2HB GLU 95 5.288 0.034 -33.725 732 HB3 GLU 95 3HB GLU 95 5.519 0.477 -35.410 733 HG2 GLU 95 2HG GLU 95 3.106 0.657 -35.702 734 HG3 GLU 95 3HG GLU 95 2.865 0.196 -34.018 735 H ALA 96 H ALA 96 2.236 -1.703 -35.133 736 HA ALA 96 HA ALA 96 1.785 -2.536 -32.474 737 HB1 ALA 96 1HB ALA 96 -0.136 -1.660 -33.277 738 HB2 ALA 96 2HB ALA 96 0.159 -2.237 -34.919 739 HB3 ALA 96 3HB ALA 96 -0.465 -3.342 -33.694 740 H MET 97 H MET 97 1.886 -4.343 -35.533 741 HA MET 97 HA MET 97 1.320 -6.866 -34.379 742 HB2 MET 97 2HB MET 97 0.986 -6.473 -36.752 743 HB3 MET 97 3HB MET 97 2.701 -6.150 -36.971 744 HG2 MET 97 2HG MET 97 3.276 -8.404 -36.594 745 HG3 MET 97 3HG MET 97 1.672 -8.785 -35.972 746 HE1 MET 97 3HE MET 97 3.824 -9.738 -38.500 747 HE2 MET 97 1HE MET 97 3.113 -9.470 -40.092 748 HE3 MET 97 2HE MET 97 3.841 -8.125 -39.215 749 H SER 98 H SER 98 4.354 -5.258 -35.271 750 HA SER 98 HA SER 98 6.095 -7.356 -34.647 751 HB2 SER 98 2HB SER 98 6.777 -5.335 -35.894 752 HB3 SER 98 3HB SER 98 6.616 -4.381 -34.420 753 HG SER 98 HG SER 98 8.788 -5.110 -34.894 754 H PHE 99 H PHE 99 4.790 -4.761 -32.628 755 HA PHE 99 HA PHE 99 6.286 -5.429 -30.309 756 HB2 PHE 99 2HB PHE 99 3.927 -3.697 -30.898 757 HB3 PHE 99 3HB PHE 99 4.255 -4.118 -29.220 758 HD1 PHE 99 HD2 PHE 99 6.650 -3.433 -31.976 759 HD2 PHE 99 HD1 PHE 99 5.011 -2.144 -28.266 760 HE1 PHE 99 HE2 PHE 99 8.331 -1.641 -31.860 761 HE2 PHE 99 HE1 PHE 99 6.689 -0.349 -28.144 762 HZ PHE 99 HZ PHE 99 8.353 -0.096 -29.942 763 H ARG 100 H ARG 100 3.063 -6.298 -31.466 764 HA ARG 100 HA ARG 100 2.109 -7.599 -29.198 765 HB2 ARG 100 2HB ARG 100 0.588 -7.178 -30.970 766 HB3 ARG 100 3HB ARG 100 1.586 -8.041 -32.132 767 HG2 ARG 100 2HG ARG 100 0.612 -9.616 -29.837 768 HG3 ARG 100 3HG ARG 100 -0.606 -9.079 -30.996 769 HD2 ARG 100 2HD ARG 100 1.116 -9.978 -32.754 770 HD3 ARG 100 3HD ARG 100 1.714 -10.915 -31.386 771 HE ARG 100 HE ARG 100 -1.084 -11.193 -31.581 772 HH11 ARG 100 1HH1 ARG 100 1.854 -12.151 -33.183 773 HH12 ARG 100 2HH1 ARG 100 1.185 -13.618 -33.816 774 HH21 ARG 100 1HH2 ARG 100 -1.977 -13.121 -32.409 775 HH22 ARG 100 2HH2 ARG 100 -0.995 -14.169 -33.376 776 H LYS 101 H LYS 101 4.514 -8.566 -31.482 777 HA LYS 101 HA LYS 101 4.418 -11.368 -30.929 778 HB2 LYS 101 2HB LYS 101 5.844 -9.624 -32.691 779 HB3 LYS 101 3HB LYS 101 7.006 -10.631 -31.838 780 HG2 LYS 101 2HG LYS 101 6.239 -12.565 -32.785 781 HG3 LYS 101 3HG LYS 101 4.612 -11.927 -33.034 782 HD2 LYS 101 2HD LYS 101 5.369 -11.903 -35.190 783 HD3 LYS 101 3HD LYS 101 5.889 -10.296 -34.678 784 HE2 LYS 101 2HE LYS 101 7.825 -11.068 -35.622 785 HE3 LYS 101 3HE LYS 101 8.061 -11.594 -33.956 786 HZ1 LYS 101 3HZ LYS 101 7.569 -13.782 -34.495 787 HZ2 LYS 101 1HZ LYS 101 8.483 -13.266 -35.822 788 HZ3 LYS 101 2HZ LYS 101 6.799 -13.373 -35.945 789 H THR 102 H THR 102 5.796 -8.636 -29.367 790 HA THR 102 HA THR 102 7.425 -10.391 -27.650 791 HB THR 102 HB THR 102 8.720 -8.636 -28.796 792 HG1 THR 102 HG1 THR 102 9.629 -7.747 -26.822 793 HG21 THR 102 3HG2 THR 102 8.371 -6.264 -27.995 794 HG22 THR 102 1HG2 THR 102 6.817 -6.797 -27.355 795 HG23 THR 102 2HG2 THR 102 7.135 -6.888 -29.087 796 H TYR 103 H TYR 103 4.575 -8.642 -27.762 797 HA TYR 103 HA TYR 103 4.414 -7.499 -25.210 798 HB2 TYR 103 2HB TYR 103 2.545 -8.211 -27.354 799 HB3 TYR 103 3HB TYR 103 1.830 -8.274 -25.747 800 HD1 TYR 103 HD1 TYR 103 4.434 -5.966 -27.077 801 HD2 TYR 103 HD2 TYR 103 0.454 -6.396 -25.636 802 HE1 TYR 103 HE1 TYR 103 4.166 -3.522 -27.107 803 HE2 TYR 103 HE2 TYR 103 0.175 -3.953 -25.663 804 HH TYR 103 HH TYR 103 1.079 -2.005 -26.563 805 H LEU 104 H LEU 104 3.241 -10.670 -26.339 806 HA LEU 104 HA LEU 104 2.492 -11.551 -23.740 807 HB2 LEU 104 2HB LEU 104 2.421 -13.814 -24.861 808 HB3 LEU 104 3HB LEU 104 1.378 -12.565 -25.538 809 HG LEU 104 HG LEU 104 3.984 -12.737 -26.849 810 HD11 LEU 104 1HD1 LEU 104 3.838 -15.075 -26.411 811 HD12 LEU 104 2HD1 LEU 104 3.361 -14.816 -28.089 812 HD13 LEU 104 3HD1 LEU 104 2.133 -15.112 -26.859 813 HD21 LEU 104 3HD2 LEU 104 2.674 -12.494 -28.811 814 HD22 LEU 104 1HD2 LEU 104 1.945 -11.457 -27.585 815 HD23 LEU 104 2HD2 LEU 104 1.207 -13.009 -27.978 816 H ASP 105 H ASP 105 5.364 -11.959 -25.741 817 HA ASP 105 HA ASP 105 6.686 -13.913 -24.265 818 HB2 ASP 105 2HB ASP 105 7.551 -11.730 -26.102 819 HB3 ASP 105 3HB ASP 105 8.786 -12.533 -25.137 820 H LEU 106 H LEU 106 6.663 -10.394 -23.853 821 HA LEU 106 HA LEU 106 8.555 -10.258 -21.785 822 HB2 LEU 106 2HB LEU 106 6.784 -8.489 -23.131 823 HB3 LEU 106 3HB LEU 106 6.584 -8.249 -21.397 824 HG LEU 106 HG LEU 106 8.189 -6.671 -22.164 825 HD11 LEU 106 1HD1 LEU 106 9.615 -6.987 -20.473 826 HD12 LEU 106 2HD1 LEU 106 10.171 -8.536 -21.106 827 HD13 LEU 106 3HD1 LEU 106 8.689 -8.454 -20.153 828 HD21 LEU 106 3HD2 LEU 106 8.747 -8.392 -24.160 829 HD22 LEU 106 1HD2 LEU 106 10.154 -8.645 -23.125 830 HD23 LEU 106 2HD2 LEU 106 9.778 -7.028 -23.723 831 H ALA 107 H ALA 107 5.050 -10.706 -21.726 832 HA ALA 107 HA ALA 107 5.089 -10.925 -18.812 833 HB1 ALA 107 1HB ALA 107 3.303 -9.700 -20.335 834 HB2 ALA 107 2HB ALA 107 2.587 -11.312 -20.363 835 HB3 ALA 107 3HB ALA 107 2.852 -10.492 -18.825 836 H ARG 108 H ARG 108 6.524 -12.944 -19.631 837 HA ARG 108 HA ARG 108 5.218 -15.233 -18.722 838 HB2 ARG 108 2HB ARG 108 4.848 -14.692 -21.553 839 HB3 ARG 108 3HB ARG 108 5.646 -16.237 -21.285 840 HG2 ARG 108 2HG ARG 108 3.335 -15.759 -19.554 841 HG3 ARG 108 3HG ARG 108 2.959 -15.843 -21.276 842 HD2 ARG 108 2HD ARG 108 3.185 -18.053 -21.264 843 HD3 ARG 108 3HD ARG 108 4.807 -17.920 -20.586 844 HE ARG 108 HE ARG 108 2.368 -18.513 -19.165 845 HH11 ARG 108 1HH1 ARG 108 5.655 -17.392 -18.929 846 HH12 ARG 108 2HH1 ARG 108 5.815 -17.809 -17.255 847 HH21 ARG 108 1HH2 ARG 108 2.566 -19.067 -16.961 848 HH22 ARG 108 2HH2 ARG 108 4.058 -18.763 -16.137 849 H GLN 109 H GLN 109 7.607 -14.385 -21.233 850 HA GLN 109 HA GLN 109 9.400 -16.466 -20.585 851 HB2 GLN 109 2HB GLN 109 9.504 -15.413 -22.751 852 HB3 GLN 109 3HB GLN 109 9.831 -13.846 -22.024 853 HG2 GLN 109 2HG GLN 109 11.986 -14.624 -21.244 854 HG3 GLN 109 3HG GLN 109 11.657 -16.233 -21.884 855 HE21 GLN 109 1HE2 GLN 109 11.054 -16.207 -24.278 856 HE22 GLN 109 2HE2 GLN 109 12.044 -15.223 -25.295 857 H SER 110 H SER 110 8.901 -13.285 -19.284 858 HA SER 110 HA SER 110 11.416 -12.987 -18.008 859 HB2 SER 110 2HB SER 110 9.537 -11.226 -18.482 860 HB3 SER 110 3HB SER 110 8.911 -11.747 -16.918 861 HG SER 110 HG SER 110 11.515 -10.740 -17.435 862 H GLY 111 H GLY 111 8.532 -14.735 -17.224 863 HA2 GLY 111 2HA GLY 111 8.062 -16.200 -15.519 864 HA3 GLY 111 3HA GLY 111 9.779 -16.186 -15.148 Start of MODEL 6 1 H1 MET 1 H MET 1 2.419 -0.910 -9.221 2 HA MET 1 HA MET 1 4.984 -0.597 -7.955 3 HB2 MET 1 2HB MET 1 3.029 1.708 -7.888 4 HB3 MET 1 3HB MET 1 4.532 1.606 -6.982 5 HG2 MET 1 2HG MET 1 5.557 2.597 -8.667 6 HG3 MET 1 3HG MET 1 5.228 1.176 -9.655 7 HE1 MET 1 3HE MET 1 4.439 4.807 -11.405 8 HE2 MET 1 1HE MET 1 5.718 4.189 -10.359 9 HE3 MET 1 2HE MET 1 5.299 3.329 -11.841 10 H SER 2 H SER 2 3.139 -2.570 -7.615 11 HA SER 2 HA SER 2 2.188 -2.043 -4.886 12 HB2 SER 2 2HB SER 2 0.483 -3.950 -6.242 13 HB3 SER 2 3HB SER 2 0.044 -2.470 -5.390 14 HG SER 2 HG SER 2 0.945 -2.657 -8.077 15 H LYS 3 H LYS 3 1.251 -4.454 -4.170 16 HA LYS 3 HA LYS 3 3.496 -6.300 -4.652 17 HB2 LYS 3 2HB LYS 3 2.035 -5.776 -2.058 18 HB3 LYS 3 3HB LYS 3 3.209 -7.063 -2.297 19 HG2 LYS 3 2HG LYS 3 4.990 -5.599 -2.416 20 HG3 LYS 3 3HG LYS 3 3.968 -4.230 -2.858 21 HD2 LYS 3 2HD LYS 3 3.572 -5.518 -0.200 22 HD3 LYS 3 3HD LYS 3 4.965 -4.458 -0.431 23 HE2 LYS 3 2HE LYS 3 2.199 -3.597 -1.209 24 HE3 LYS 3 3HE LYS 3 2.776 -3.431 0.448 25 HZ1 LYS 3 3HZ LYS 3 4.797 -2.330 -0.848 26 HZ2 LYS 3 1HZ LYS 3 3.448 -1.443 -0.343 27 HZ3 LYS 3 2HZ LYS 3 3.560 -1.971 -1.946 28 H ASN 4 H ASN 4 2.902 -8.598 -3.935 29 HA ASN 4 HA ASN 4 0.515 -9.346 -5.356 30 HB2 ASN 4 2HB ASN 4 2.210 -11.258 -3.774 31 HB3 ASN 4 3HB ASN 4 1.313 -11.546 -5.262 32 HD21 ASN 4 1HD2 ASN 4 4.161 -10.074 -3.875 33 HD22 ASN 4 2HD2 ASN 4 5.065 -9.982 -5.345 34 H GLU 5 H GLU 5 -1.315 -10.334 -4.542 35 HA GLU 5 HA GLU 5 -2.219 -9.517 -2.022 36 HB2 GLU 5 2HB GLU 5 -3.542 -10.292 -4.121 37 HB3 GLU 5 3HB GLU 5 -3.372 -11.902 -3.434 38 HG2 GLU 5 2HG GLU 5 -5.443 -11.177 -2.678 39 HG3 GLU 5 3HG GLU 5 -4.370 -10.906 -1.306 40 H ARG 6 H ARG 6 -0.515 -12.373 -3.041 41 HA ARG 6 HA ARG 6 -0.607 -13.368 -0.269 42 HB2 ARG 6 2HB ARG 6 -1.679 -14.694 -2.366 43 HB3 ARG 6 3HB ARG 6 -0.033 -15.309 -2.426 44 HG2 ARG 6 2HG ARG 6 -0.414 -16.675 -0.726 45 HG3 ARG 6 3HG ARG 6 -1.016 -15.350 0.273 46 HD2 ARG 6 2HD ARG 6 -3.200 -15.564 -0.968 47 HD3 ARG 6 3HD ARG 6 -2.562 -17.049 -1.672 48 HE ARG 6 HE ARG 6 -2.244 -17.441 0.984 49 HH11 ARG 6 1HH1 ARG 6 -4.954 -16.493 -0.984 50 HH12 ARG 6 2HH1 ARG 6 -6.133 -17.213 0.062 51 HH21 ARG 6 1HH2 ARG 6 -3.786 -18.393 2.369 52 HH22 ARG 6 2HH2 ARG 6 -5.467 -18.292 1.970 53 H ASP 7 H ASP 7 1.292 -13.837 -3.255 54 HA ASP 7 HA ASP 7 3.684 -12.790 -2.232 55 HB2 ASP 7 2HB ASP 7 3.096 -15.472 -1.368 56 HB3 ASP 7 3HB ASP 7 4.525 -15.477 -2.398 57 H THR 8 H THR 8 2.332 -15.318 -4.316 58 HA THR 8 HA THR 8 3.805 -14.171 -6.569 59 HB THR 8 HB THR 8 4.459 -16.401 -7.391 60 HG1 THR 8 HG1 THR 8 3.269 -17.208 -4.949 61 HG21 THR 8 3HG2 THR 8 5.454 -15.654 -4.643 62 HG22 THR 8 1HG2 THR 8 6.138 -15.179 -6.198 63 HG23 THR 8 2HG2 THR 8 6.226 -16.860 -5.672 64 H SER 9 H SER 9 0.985 -14.234 -5.658 65 HA SER 9 HA SER 9 -0.333 -15.925 -7.624 66 HB2 SER 9 2HB SER 9 -2.378 -15.350 -6.546 67 HB3 SER 9 3HB SER 9 -1.198 -15.579 -5.256 68 HG SER 9 HG SER 9 -0.926 -13.131 -5.661 69 H PHE 10 H PHE 10 0.457 -12.567 -7.087 70 HA PHE 10 HA PHE 10 -1.071 -11.766 -9.453 71 HB2 PHE 10 2HB PHE 10 -1.380 -10.376 -7.478 72 HB3 PHE 10 3HB PHE 10 0.357 -10.111 -7.362 73 HD1 PHE 10 HD1 PHE 10 -2.159 -9.880 -10.113 74 HD2 PHE 10 HD2 PHE 10 0.941 -7.969 -7.909 75 HE1 PHE 10 HE1 PHE 10 -2.373 -7.890 -11.544 76 HE2 PHE 10 HE2 PHE 10 0.731 -5.976 -9.336 77 HZ PHE 10 HZ PHE 10 -0.928 -5.934 -11.156 78 H ASN 11 H ASN 11 -0.139 -11.122 -11.319 79 HA ASN 11 HA ASN 11 2.783 -11.365 -11.488 80 HB2 ASN 11 2HB ASN 11 0.553 -12.038 -13.286 81 HB3 ASN 11 3HB ASN 11 1.916 -11.256 -14.081 82 HD21 ASN 11 1HD2 ASN 11 3.705 -12.401 -14.487 83 HD22 ASN 11 2HD2 ASN 11 3.956 -14.040 -14.002 84 H LYS 12 H LYS 12 3.029 -9.203 -10.601 85 HA LYS 12 HA LYS 12 1.988 -6.877 -11.732 86 HB2 LYS 12 2HB LYS 12 3.891 -5.720 -10.674 87 HB3 LYS 12 3HB LYS 12 3.125 -6.867 -9.583 88 HG2 LYS 12 2HG LYS 12 5.243 -7.480 -9.170 89 HG3 LYS 12 3HG LYS 12 5.040 -8.433 -10.641 90 HD2 LYS 12 2HD LYS 12 5.876 -6.326 -11.864 91 HD3 LYS 12 3HD LYS 12 6.438 -5.803 -10.274 92 HE2 LYS 12 2HE LYS 12 7.361 -8.370 -10.386 93 HE3 LYS 12 3HE LYS 12 7.495 -7.865 -12.070 94 HZ1 LYS 12 3HZ LYS 12 8.887 -6.837 -9.705 95 HZ2 LYS 12 1HZ LYS 12 8.568 -5.764 -10.973 96 HZ3 LYS 12 2HZ LYS 12 9.486 -7.156 -11.254 97 H ASN 13 H ASN 13 4.711 -8.863 -12.690 98 HA ASN 13 HA ASN 13 6.012 -7.111 -14.420 99 HB2 ASN 13 2HB ASN 13 6.864 -9.149 -15.549 100 HB3 ASN 13 3HB ASN 13 6.992 -9.245 -13.795 101 HD21 ASN 13 1HD2 ASN 13 5.957 -10.787 -16.565 102 HD22 ASN 13 2HD2 ASN 13 4.986 -12.017 -15.836 103 H GLY 14 H GLY 14 3.255 -9.256 -14.996 104 HA2 GLY 14 2HA GLY 14 3.051 -8.867 -17.773 105 HA3 GLY 14 3HA GLY 14 1.736 -9.352 -16.713 106 H CYS 15 H CYS 15 1.665 -7.052 -15.072 107 HA CYS 15 HA CYS 15 0.053 -5.360 -16.681 108 HB2 CYS 15 2HB CYS 15 0.694 -5.653 -13.871 109 HB3 CYS 15 3HB CYS 15 0.651 -3.957 -14.335 110 HG CYS 15 HG CYS 15 -1.934 -3.793 -14.910 111 H LEU 16 H LEU 16 3.330 -5.117 -15.408 112 HA LEU 16 HA LEU 16 3.785 -2.424 -16.120 113 HB2 LEU 16 2HB LEU 16 5.237 -3.418 -14.543 114 HB3 LEU 16 3HB LEU 16 5.621 -4.751 -15.629 115 HG LEU 16 HG LEU 16 6.386 -2.166 -16.724 116 HD11 LEU 16 1HD1 LEU 16 6.941 -1.331 -14.664 117 HD12 LEU 16 2HD1 LEU 16 8.428 -2.182 -15.082 118 HD13 LEU 16 3HD1 LEU 16 7.267 -2.924 -13.981 119 HD21 LEU 16 3HD2 LEU 16 8.592 -3.444 -16.842 120 HD22 LEU 16 1HD2 LEU 16 7.230 -4.095 -17.754 121 HD23 LEU 16 2HD2 LEU 16 7.689 -4.824 -16.215 122 H VAL 17 H VAL 17 4.496 -5.473 -17.795 123 HA VAL 17 HA VAL 17 5.695 -4.258 -20.063 124 HB VAL 17 HB VAL 17 6.098 -6.607 -19.494 125 HG11 VAL 17 1HG1 VAL 17 3.237 -7.065 -20.335 126 HG12 VAL 17 2HG1 VAL 17 4.404 -8.308 -19.883 127 HG13 VAL 17 3HG1 VAL 17 3.844 -7.144 -18.682 128 HG21 VAL 17 3HG2 VAL 17 6.546 -6.003 -21.752 129 HG22 VAL 17 1HG2 VAL 17 5.724 -7.563 -21.788 130 HG23 VAL 17 2HG2 VAL 17 4.838 -6.089 -22.182 131 H PHE 18 H PHE 18 2.404 -5.207 -19.263 132 HA PHE 18 HA PHE 18 1.291 -4.916 -21.835 133 HB2 PHE 18 2HB PHE 18 0.187 -6.073 -19.918 134 HB3 PHE 18 3HB PHE 18 -0.095 -4.500 -19.180 135 HD1 PHE 18 HD1 PHE 18 -1.514 -2.824 -20.444 136 HD2 PHE 18 HD2 PHE 18 -1.301 -6.946 -21.485 137 HE1 PHE 18 HE1 PHE 18 -3.622 -2.614 -21.696 138 HE2 PHE 18 HE2 PHE 18 -3.407 -6.742 -22.740 139 HZ PHE 18 HZ PHE 18 -4.571 -4.574 -22.847 140 H VAL 19 H VAL 19 1.551 -2.655 -19.111 141 HA VAL 19 HA VAL 19 0.240 -0.506 -20.429 142 HB VAL 19 HB VAL 19 2.171 -0.421 -18.106 143 HG11 VAL 19 1HG1 VAL 19 0.802 1.726 -17.650 144 HG12 VAL 19 2HG1 VAL 19 2.084 1.772 -18.862 145 HG13 VAL 19 3HG1 VAL 19 0.398 1.637 -19.364 146 HG21 VAL 19 3HG2 VAL 19 -0.383 -1.542 -18.254 147 HG22 VAL 19 1HG2 VAL 19 0.530 -1.155 -16.796 148 HG23 VAL 19 2HG2 VAL 19 -0.605 0.019 -17.464 149 H SER 20 H SER 20 3.657 -1.321 -19.925 150 HA SER 20 HA SER 20 4.782 0.952 -21.089 151 HB2 SER 20 2HB SER 20 5.716 -1.834 -20.580 152 HB3 SER 20 3HB SER 20 6.674 -0.831 -21.669 153 HG SER 20 HG SER 20 7.458 -0.448 -19.652 154 H ARG 21 H ARG 21 3.993 -2.184 -22.571 155 HA ARG 21 HA ARG 21 4.796 -1.430 -25.185 156 HB2 ARG 21 2HB ARG 21 3.306 -3.702 -23.975 157 HB3 ARG 21 3HB ARG 21 3.110 -3.437 -25.702 158 HG2 ARG 21 2HG ARG 21 4.869 -5.051 -25.251 159 HG3 ARG 21 3HG ARG 21 5.521 -3.598 -26.012 160 HD2 ARG 21 2HD ARG 21 6.142 -2.777 -23.740 161 HD3 ARG 21 3HD ARG 21 5.638 -4.337 -23.092 162 HE ARG 21 HE ARG 21 7.428 -5.000 -25.015 163 HH11 ARG 21 1HH1 ARG 21 7.515 -2.844 -22.284 164 HH12 ARG 21 2HH1 ARG 21 9.217 -3.035 -22.022 165 HH21 ARG 21 1HH2 ARG 21 9.669 -5.260 -24.680 166 HH22 ARG 21 2HH2 ARG 21 10.441 -4.409 -23.386 167 H LEU 22 H LEU 22 1.729 -1.336 -23.457 168 HA LEU 22 HA LEU 22 0.031 -0.771 -25.601 169 HB2 LEU 22 2HB LEU 22 -1.172 -1.226 -23.732 170 HB3 LEU 22 3HB LEU 22 -0.043 -0.386 -22.671 171 HG LEU 22 HG LEU 22 -1.699 1.278 -24.485 172 HD11 LEU 22 1HD1 LEU 22 -3.523 1.240 -22.748 173 HD12 LEU 22 2HD1 LEU 22 -2.783 -0.232 -22.121 174 HD13 LEU 22 3HD1 LEU 22 -3.407 -0.193 -23.770 175 HD21 LEU 22 3HD2 LEU 22 -0.205 1.515 -21.986 176 HD22 LEU 22 1HD2 LEU 22 -1.780 2.309 -21.953 177 HD23 LEU 22 2HD2 LEU 22 -0.602 2.739 -23.194 178 H TRP 23 H TRP 23 1.903 1.404 -23.524 179 HA TRP 23 HA TRP 23 0.944 3.823 -24.579 180 HB2 TRP 23 2HB TRP 23 3.253 2.971 -22.943 181 HB3 TRP 23 3HB TRP 23 3.467 4.480 -23.826 182 HD1 TRP 23 HD1 TRP 23 1.034 2.904 -21.259 183 HE1 TRP 23 HE1 TRP 23 0.037 4.805 -19.839 184 HE3 TRP 23 HE3 TRP 23 3.105 6.901 -23.683 185 HZ2 TRP 23 HZ2 TRP 23 0.117 7.626 -19.757 186 HZ3 TRP 23 HZ3 TRP 23 2.594 9.167 -22.871 187 HH2 TRP 23 HH2 TRP 23 1.130 9.520 -20.949 188 H ASP 24 H ASP 24 3.537 1.679 -25.608 189 HA ASP 24 HA ASP 24 4.663 3.427 -27.536 190 HB2 ASP 24 2HB ASP 24 4.886 0.540 -26.871 191 HB3 ASP 24 3HB ASP 24 5.371 1.023 -28.494 192 H LEU 25 H LEU 25 2.352 0.737 -27.804 193 HA LEU 25 HA LEU 25 1.981 0.829 -30.567 194 HB2 LEU 25 2HB LEU 25 0.949 -0.620 -28.448 195 HB3 LEU 25 3HB LEU 25 -0.455 0.216 -29.107 196 HG LEU 25 HG LEU 25 1.331 -1.786 -30.464 197 HD11 LEU 25 1HD1 LEU 25 -1.635 -1.646 -29.945 198 HD12 LEU 25 2HD1 LEU 25 -0.474 -2.716 -29.160 199 HD13 LEU 25 3HD1 LEU 25 -0.827 -2.906 -30.878 200 HD21 LEU 25 3HD2 LEU 25 -0.170 0.434 -31.635 201 HD22 LEU 25 1HD2 LEU 25 -0.579 -1.144 -32.308 202 HD23 LEU 25 2HD2 LEU 25 1.092 -0.581 -32.335 203 H ASP 26 H ASP 26 0.074 2.396 -28.000 204 HA ASP 26 HA ASP 26 -1.568 3.829 -29.851 205 HB2 ASP 26 2HB ASP 26 -1.142 4.318 -26.895 206 HB3 ASP 26 3HB ASP 26 -2.454 4.966 -27.876 207 H LYS 27 H LYS 27 -0.336 5.083 -31.198 208 HA LYS 27 HA LYS 27 1.866 6.633 -30.538 209 HB2 LYS 27 2HB LYS 27 0.992 6.117 -32.850 210 HB3 LYS 27 3HB LYS 27 -0.205 7.382 -32.604 211 HG2 LYS 27 2HG LYS 27 2.578 8.176 -32.098 212 HG3 LYS 27 3HG LYS 27 2.197 7.761 -33.771 213 HD2 LYS 27 2HD LYS 27 0.778 9.527 -34.029 214 HD3 LYS 27 3HD LYS 27 0.295 9.527 -32.331 215 HE2 LYS 27 2HE LYS 27 3.042 10.153 -32.398 216 HE3 LYS 27 3HE LYS 27 2.272 11.123 -33.653 217 HZ1 LYS 27 3HZ LYS 27 1.887 11.192 -30.753 218 HZ2 LYS 27 1HZ LYS 27 0.556 11.549 -31.734 219 HZ3 LYS 27 2HZ LYS 27 1.971 12.467 -31.862 220 H LEU 28 H LEU 28 -1.533 7.271 -30.080 221 HA LEU 28 HA LEU 28 -1.389 10.050 -29.647 222 HB2 LEU 28 2HB LEU 28 -3.587 9.879 -29.340 223 HB3 LEU 28 3HB LEU 28 -3.384 8.178 -29.753 224 HG LEU 28 HG LEU 28 -2.973 7.952 -27.155 225 HD11 LEU 28 1HD1 LEU 28 -3.301 10.577 -27.119 226 HD12 LEU 28 2HD1 LEU 28 -3.858 9.550 -25.798 227 HD13 LEU 28 3HD1 LEU 28 -5.000 10.115 -27.018 228 HD21 LEU 28 3HD2 LEU 28 -5.293 7.361 -26.899 229 HD22 LEU 28 1HD2 LEU 28 -4.753 6.885 -28.509 230 HD23 LEU 28 2HD2 LEU 28 -5.736 8.335 -28.302 231 H GLY 29 H GLY 29 -0.604 7.325 -27.646 232 HA2 GLY 29 2HA GLY 29 0.749 7.415 -25.731 233 HA3 GLY 29 3HA GLY 29 0.433 9.140 -25.617 234 H MET 30 H MET 30 -1.850 9.731 -25.009 235 HA MET 30 HA MET 30 -2.534 8.345 -22.605 236 HB2 MET 30 2HB MET 30 -2.764 10.878 -23.205 237 HB3 MET 30 3HB MET 30 -4.312 10.393 -23.883 238 HG2 MET 30 2HG MET 30 -5.193 10.582 -21.867 239 HG3 MET 30 3HG MET 30 -4.202 9.219 -21.351 240 HE1 MET 30 3HE MET 30 -5.370 12.385 -20.967 241 HE2 MET 30 1HE MET 30 -4.746 12.629 -19.335 242 HE3 MET 30 2HE MET 30 -4.069 13.542 -20.684 243 H PHE 31 H PHE 31 -2.897 6.252 -23.756 244 HA PHE 31 HA PHE 31 -5.695 6.072 -24.660 245 HB2 PHE 31 2HB PHE 31 -4.103 5.690 -26.519 246 HB3 PHE 31 3HB PHE 31 -3.381 4.368 -25.607 247 HD1 PHE 31 HD2 PHE 31 -4.705 2.320 -25.155 248 HD2 PHE 31 HD1 PHE 31 -6.106 5.399 -27.738 249 HE1 PHE 31 HE2 PHE 31 -6.343 0.760 -26.121 250 HE2 PHE 31 HE1 PHE 31 -7.747 3.844 -28.707 251 HZ PHE 31 HZ PHE 31 -7.867 1.520 -27.900 252 H HIS 32 H HIS 32 -6.915 4.970 -23.291 253 HA HIS 32 HA HIS 32 -6.265 2.416 -22.299 254 HB2 HIS 32 2HB HIS 32 -6.248 3.117 -19.829 255 HB3 HIS 32 3HB HIS 32 -4.769 3.367 -20.751 256 HD1 HIS 32 HD1 HIS 32 -7.801 5.363 -19.626 257 HD2 HIS 32 HD2 HIS 32 -3.797 5.894 -20.600 258 HE1 HIS 32 HE1 HIS 32 -7.300 7.776 -19.121 259 H HIS 33 H HIS 33 -8.436 3.124 -23.609 260 HA HIS 33 HA HIS 33 -10.544 2.725 -21.666 261 HB2 HIS 33 2HB HIS 33 -10.231 5.250 -23.224 262 HB3 HIS 33 3HB HIS 33 -11.858 4.614 -22.997 263 HD1 HIS 33 HD1 HIS 33 -12.713 4.451 -20.505 264 HD2 HIS 33 HD2 HIS 33 -9.121 6.475 -21.018 265 HE1 HIS 33 HE1 HIS 33 -12.340 5.712 -18.361 266 HA PRO 34 HA PRO 34 -12.343 0.310 -24.854 267 HB2 PRO 34 2HB PRO 34 -15.000 0.685 -24.443 268 HB3 PRO 34 3HB PRO 34 -13.985 -0.272 -23.357 269 HG2 PRO 34 2HG PRO 34 -14.915 2.560 -23.077 270 HG3 PRO 34 3HG PRO 34 -14.840 1.281 -21.851 271 HD2 PRO 34 2HD PRO 34 -12.967 3.227 -22.044 272 HD3 PRO 34 3HD PRO 34 -12.583 1.583 -21.494 273 H VAL 35 H VAL 35 -12.934 0.460 -26.962 274 HA VAL 35 HA VAL 35 -13.086 3.039 -28.165 275 HB VAL 35 HB VAL 35 -13.698 0.386 -29.469 276 HG11 VAL 35 1HG1 VAL 35 -13.298 3.152 -30.426 277 HG12 VAL 35 2HG1 VAL 35 -12.533 1.873 -31.372 278 HG13 VAL 35 3HG1 VAL 35 -14.275 1.847 -31.098 279 HG21 VAL 35 3HG2 VAL 35 -11.194 0.801 -30.220 280 HG22 VAL 35 1HG2 VAL 35 -11.127 1.643 -28.672 281 HG23 VAL 35 2HG2 VAL 35 -11.583 -0.059 -28.731 282 H SER 36 H SER 36 -14.800 4.054 -29.173 283 HA SER 36 HA SER 36 -17.400 3.465 -28.091 284 HB2 SER 36 2HB SER 36 -16.512 5.575 -30.074 285 HB3 SER 36 3HB SER 36 -18.110 5.490 -29.334 286 HG SER 36 HG SER 36 -17.220 6.663 -27.834 287 H ALA 37 H ALA 37 -19.190 2.712 -29.146 288 HA ALA 37 HA ALA 37 -18.833 0.953 -31.306 289 HB1 ALA 37 1HB ALA 37 -20.735 1.207 -29.459 290 HB2 ALA 37 2HB ALA 37 -21.548 2.021 -30.796 291 HB3 ALA 37 3HB ALA 37 -20.999 0.355 -30.981 292 H GLU 38 H GLU 38 -19.862 4.307 -31.156 293 HA GLU 38 HA GLU 38 -20.980 4.657 -33.652 294 HB2 GLU 38 2HB GLU 38 -20.261 7.005 -33.495 295 HB3 GLU 38 3HB GLU 38 -20.939 6.425 -31.980 296 HG2 GLU 38 2HG GLU 38 -18.451 5.935 -31.381 297 HG3 GLU 38 3HG GLU 38 -18.118 7.105 -32.656 298 H GLU 39 H GLU 39 -17.568 4.542 -32.759 299 HA GLU 39 HA GLU 39 -16.760 4.977 -35.525 300 HB2 GLU 39 2HB GLU 39 -15.097 4.542 -33.037 301 HB3 GLU 39 3HB GLU 39 -14.464 4.941 -34.628 302 HG2 GLU 39 2HG GLU 39 -16.248 6.949 -34.254 303 HG3 GLU 39 3HG GLU 39 -15.702 6.656 -32.604 304 H LEU 40 H LEU 40 -16.993 2.424 -33.155 305 HA LEU 40 HA LEU 40 -16.136 0.507 -35.218 306 HB2 LEU 40 2HB LEU 40 -15.387 0.649 -32.324 307 HB3 LEU 40 3HB LEU 40 -15.402 -0.899 -33.166 308 HG LEU 40 HG LEU 40 -13.155 -0.016 -33.092 309 HD11 LEU 40 1HD1 LEU 40 -13.913 -1.261 -35.095 310 HD12 LEU 40 2HD1 LEU 40 -12.608 -0.123 -35.428 311 HD13 LEU 40 3HD1 LEU 40 -14.265 0.279 -35.878 312 HD21 LEU 40 3HD2 LEU 40 -13.686 2.264 -34.867 313 HD22 LEU 40 1HD2 LEU 40 -12.574 2.115 -33.506 314 HD23 LEU 40 2HD2 LEU 40 -14.282 2.447 -33.217 315 HA PRO 41 HA PRO 41 -20.425 -0.491 -33.799 316 HB2 PRO 41 2HB PRO 41 -21.353 -1.058 -36.286 317 HB3 PRO 41 3HB PRO 41 -21.327 0.580 -35.621 318 HG2 PRO 41 2HG PRO 41 -19.405 -0.730 -37.506 319 HG3 PRO 41 3HG PRO 41 -20.080 0.908 -37.557 320 HD2 PRO 41 2HD PRO 41 -17.591 0.387 -36.627 321 HD3 PRO 41 3HD PRO 41 -18.593 1.706 -35.987 322 H ASP 42 H ASP 42 -17.931 -2.101 -35.538 323 HA ASP 42 HA ASP 42 -19.259 -4.698 -35.129 324 HB2 ASP 42 2HB ASP 42 -17.994 -5.590 -36.919 325 HB3 ASP 42 3HB ASP 42 -18.545 -4.015 -37.481 326 H TYR 43 H TYR 43 -17.595 -2.951 -33.265 327 HA TYR 43 HA TYR 43 -15.096 -4.057 -32.785 328 HB2 TYR 43 2HB TYR 43 -15.190 -3.055 -30.637 329 HB3 TYR 43 3HB TYR 43 -16.142 -2.014 -31.690 330 HD1 TYR 43 HD2 TYR 43 -18.720 -2.534 -31.735 331 HD2 TYR 43 HD1 TYR 43 -16.087 -3.713 -28.608 332 HE1 TYR 43 HE2 TYR 43 -20.636 -2.730 -30.204 333 HE2 TYR 43 HE1 TYR 43 -17.995 -3.914 -27.069 334 HH TYR 43 HH TYR 43 -21.298 -3.145 -28.128 335 H HIS 44 H HIS 44 -18.282 -5.212 -31.885 336 HA HIS 44 HA HIS 44 -17.410 -7.210 -30.064 337 HB2 HIS 44 2HB HIS 44 -19.857 -6.169 -30.838 338 HB3 HIS 44 3HB HIS 44 -19.905 -7.819 -31.453 339 HD1 HIS 44 HD1 HIS 44 -21.168 -9.182 -29.831 340 HD2 HIS 44 HD2 HIS 44 -18.643 -6.482 -27.936 341 HE1 HIS 44 HE1 HIS 44 -21.408 -9.649 -27.372 342 H THR 45 H THR 45 -17.943 -7.130 -33.532 343 HA THR 45 HA THR 45 -17.505 -9.985 -33.808 344 HB THR 45 HB THR 45 -17.517 -8.183 -36.182 345 HG1 THR 45 HG1 THR 45 -19.960 -8.913 -34.958 346 HG21 THR 45 3HG2 THR 45 -18.739 -10.865 -35.531 347 HG22 THR 45 1HG2 THR 45 -17.330 -10.558 -36.546 348 HG23 THR 45 2HG2 THR 45 -18.929 -10.031 -37.073 349 H VAL 46 H VAL 46 -15.600 -7.215 -33.594 350 HA VAL 46 HA VAL 46 -13.425 -8.326 -35.205 351 HB VAL 46 HB VAL 46 -13.642 -5.668 -33.785 352 HG11 VAL 46 1HG1 VAL 46 -11.638 -5.641 -35.771 353 HG12 VAL 46 2HG1 VAL 46 -11.443 -5.476 -34.025 354 HG13 VAL 46 3HG1 VAL 46 -11.361 -7.070 -34.777 355 HG21 VAL 46 3HG2 VAL 46 -13.448 -5.840 -36.726 356 HG22 VAL 46 1HG2 VAL 46 -14.967 -6.381 -36.012 357 HG23 VAL 46 2HG2 VAL 46 -14.385 -4.743 -35.712 358 H ILE 47 H ILE 47 -13.950 -7.075 -31.910 359 HA ILE 47 HA ILE 47 -11.690 -8.745 -31.019 360 HB ILE 47 HB ILE 47 -12.739 -6.211 -29.752 361 HG12 ILE 47 2HG1 ILE 47 -10.050 -6.661 -31.047 362 HG13 ILE 47 3HG1 ILE 47 -11.428 -6.013 -31.929 363 HG21 ILE 47 1HG2 ILE 47 -10.208 -6.867 -28.746 364 HG22 ILE 47 2HG2 ILE 47 -11.750 -6.918 -27.895 365 HG23 ILE 47 3HG2 ILE 47 -11.147 -8.360 -28.710 366 HD11 ILE 47 3HD1 ILE 47 -10.737 -4.012 -31.280 367 HD12 ILE 47 1HD1 ILE 47 -11.291 -4.442 -29.662 368 HD13 ILE 47 2HD1 ILE 47 -9.606 -4.699 -30.115 369 H LYS 48 H LYS 48 -14.795 -7.383 -29.929 370 HA LYS 48 HA LYS 48 -16.466 -8.261 -28.655 371 HB2 LYS 48 2HB LYS 48 -15.633 -10.380 -30.111 372 HB3 LYS 48 3HB LYS 48 -15.283 -10.970 -28.491 373 HG2 LYS 48 2HG LYS 48 -17.589 -10.635 -27.837 374 HG3 LYS 48 3HG LYS 48 -17.960 -9.948 -29.420 375 HD2 LYS 48 2HD LYS 48 -16.736 -12.655 -29.329 376 HD3 LYS 48 3HD LYS 48 -18.427 -12.497 -28.848 377 HE2 LYS 48 2HE LYS 48 -18.895 -11.365 -30.992 378 HE3 LYS 48 3HE LYS 48 -17.217 -11.619 -31.469 379 HZ1 LYS 48 3HZ LYS 48 -18.361 -13.372 -32.443 380 HZ2 LYS 48 1HZ LYS 48 -19.347 -13.629 -31.092 381 HZ3 LYS 48 2HZ LYS 48 -17.715 -14.071 -31.044 382 H ARG 49 H ARG 49 -13.536 -7.656 -27.681 383 HA ARG 49 HA ARG 49 -14.035 -8.559 -24.923 384 HB2 ARG 49 2HB ARG 49 -11.975 -9.486 -26.437 385 HB3 ARG 49 3HB ARG 49 -11.222 -8.090 -25.677 386 HG2 ARG 49 2HG ARG 49 -11.145 -9.069 -23.665 387 HG3 ARG 49 3HG ARG 49 -12.741 -9.800 -23.847 388 HD2 ARG 49 2HD ARG 49 -11.685 -11.441 -25.436 389 HD3 ARG 49 3HD ARG 49 -10.120 -10.791 -24.950 390 HE ARG 49 HE ARG 49 -11.745 -12.614 -23.482 391 HH11 ARG 49 1HH1 ARG 49 -9.462 -10.008 -23.147 392 HH12 ARG 49 2HH1 ARG 49 -8.910 -10.518 -21.586 393 HH21 ARG 49 1HH2 ARG 49 -11.027 -13.296 -21.427 394 HH22 ARG 49 2HH2 ARG 49 -9.801 -12.389 -20.609 395 HA PRO 50 HA PRO 50 -13.936 -4.014 -24.740 396 HB2 PRO 50 2HB PRO 50 -15.418 -3.870 -22.471 397 HB3 PRO 50 3HB PRO 50 -16.134 -4.058 -24.076 398 HG2 PRO 50 2HG PRO 50 -15.597 -6.133 -21.986 399 HG3 PRO 50 3HG PRO 50 -17.028 -5.923 -23.011 400 HD2 PRO 50 2HD PRO 50 -15.108 -7.755 -23.548 401 HD3 PRO 50 3HD PRO 50 -16.034 -6.940 -24.825 402 H VAL 51 H VAL 51 -12.228 -3.003 -23.909 403 HA VAL 51 HA VAL 51 -11.202 -3.882 -21.288 404 HB VAL 51 HB VAL 51 -9.662 -4.558 -23.070 405 HG11 VAL 51 1HG1 VAL 51 -10.396 -2.568 -24.545 406 HG12 VAL 51 2HG1 VAL 51 -9.136 -1.676 -23.690 407 HG13 VAL 51 3HG1 VAL 51 -8.721 -3.113 -24.625 408 HG21 VAL 51 3HG2 VAL 51 -8.314 -2.253 -21.735 409 HG22 VAL 51 1HG2 VAL 51 -8.959 -3.571 -20.757 410 HG23 VAL 51 2HG2 VAL 51 -7.737 -3.900 -21.985 411 H ASP 52 H ASP 52 -11.033 -2.352 -19.779 412 HA ASP 52 HA ASP 52 -10.899 0.462 -20.605 413 HB2 ASP 52 2HB ASP 52 -13.245 0.020 -20.103 414 HB3 ASP 52 3HB ASP 52 -12.804 -0.664 -18.541 415 H LEU 53 H LEU 53 -10.047 1.893 -18.987 416 HA LEU 53 HA LEU 53 -7.872 0.769 -17.556 417 HB2 LEU 53 2HB LEU 53 -7.673 2.975 -18.442 418 HB3 LEU 53 3HB LEU 53 -9.095 3.519 -17.553 419 HG LEU 53 HG LEU 53 -6.829 2.523 -15.933 420 HD11 LEU 53 1HD1 LEU 53 -6.714 5.224 -17.261 421 HD12 LEU 53 2HD1 LEU 53 -5.740 3.836 -17.744 422 HD13 LEU 53 3HD1 LEU 53 -5.545 4.532 -16.136 423 HD21 LEU 53 3HD2 LEU 53 -7.927 5.119 -15.306 424 HD22 LEU 53 1HD2 LEU 53 -7.912 3.640 -14.345 425 HD23 LEU 53 2HD2 LEU 53 -9.202 3.918 -15.515 426 H SER 54 H SER 54 -10.985 2.132 -16.544 427 HA SER 54 HA SER 54 -10.532 1.822 -13.762 428 HB2 SER 54 2HB SER 54 -13.275 1.807 -14.994 429 HB3 SER 54 3HB SER 54 -12.752 2.514 -13.466 430 HG SER 54 HG SER 54 -13.118 4.051 -15.189 431 H SER 55 H SER 55 -12.015 -0.218 -16.224 432 HA SER 55 HA SER 55 -13.080 -2.172 -14.501 433 HB2 SER 55 2HB SER 55 -12.231 -2.245 -17.394 434 HB3 SER 55 3HB SER 55 -12.908 -3.657 -16.583 435 HG SER 55 HG SER 55 -14.804 -2.808 -16.826 436 H ILE 56 H ILE 56 -10.000 -2.077 -16.279 437 HA ILE 56 HA ILE 56 -9.013 -4.527 -15.297 438 HB ILE 56 HB ILE 56 -7.487 -2.122 -16.301 439 HG12 ILE 56 2HG1 ILE 56 -8.096 -4.677 -17.780 440 HG13 ILE 56 3HG1 ILE 56 -9.175 -3.288 -17.835 441 HG21 ILE 56 1HG2 ILE 56 -6.044 -3.541 -14.975 442 HG22 ILE 56 2HG2 ILE 56 -6.581 -4.964 -15.867 443 HG23 ILE 56 3HG2 ILE 56 -5.646 -3.712 -16.684 444 HD11 ILE 56 3HD1 ILE 56 -6.454 -2.523 -18.402 445 HD12 ILE 56 1HD1 ILE 56 -7.013 -3.793 -19.490 446 HD13 ILE 56 2HD1 ILE 56 -7.918 -2.285 -19.355 447 H ARG 57 H ARG 57 -8.448 -1.179 -14.239 448 HA ARG 57 HA ARG 57 -6.643 -1.680 -12.193 449 HB2 ARG 57 2HB ARG 57 -7.188 0.574 -12.981 450 HB3 ARG 57 3HB ARG 57 -8.802 0.433 -12.299 451 HG2 ARG 57 2HG ARG 57 -6.615 -0.032 -10.399 452 HG3 ARG 57 3HG ARG 57 -6.705 1.603 -11.059 453 HD2 ARG 57 2HD ARG 57 -9.299 1.195 -10.496 454 HD3 ARG 57 3HD ARG 57 -8.563 0.167 -9.266 455 HE ARG 57 HE ARG 57 -7.376 2.763 -9.362 456 HH11 ARG 57 1HH1 ARG 57 -10.102 0.958 -8.164 457 HH12 ARG 57 2HH1 ARG 57 -10.396 2.032 -6.837 458 HH21 ARG 57 1HH2 ARG 57 -7.754 4.184 -7.618 459 HH22 ARG 57 2HH2 ARG 57 -9.060 3.868 -6.528 460 H ASP 58 H ASP 58 -10.170 -1.820 -12.167 461 HA ASP 58 HA ASP 58 -10.378 -2.313 -9.361 462 HB2 ASP 58 2HB ASP 58 -12.215 -1.341 -10.738 463 HB3 ASP 58 3HB ASP 58 -12.402 -2.902 -11.531 464 H GLY 59 H GLY 59 -10.123 -4.319 -12.231 465 HA2 GLY 59 2HA GLY 59 -10.859 -6.780 -11.071 466 HA3 GLY 59 3HA GLY 59 -9.852 -6.582 -12.498 467 H ILE 60 H ILE 60 -7.642 -5.329 -11.540 468 HA ILE 60 HA ILE 60 -6.235 -7.460 -10.313 469 HB ILE 60 HB ILE 60 -5.481 -4.606 -10.902 470 HG12 ILE 60 2HG1 ILE 60 -3.760 -6.195 -12.267 471 HG13 ILE 60 3HG1 ILE 60 -5.174 -7.242 -12.209 472 HG21 ILE 60 1HG2 ILE 60 -3.943 -6.707 -9.423 473 HG22 ILE 60 2HG2 ILE 60 -3.112 -5.477 -10.373 474 HG23 ILE 60 3HG2 ILE 60 -4.156 -5.000 -9.034 475 HD11 ILE 60 3HD1 ILE 60 -5.408 -4.401 -13.105 476 HD12 ILE 60 1HD1 ILE 60 -4.877 -5.667 -14.211 477 HD13 ILE 60 2HD1 ILE 60 -6.464 -5.770 -13.449 478 H GLU 61 H GLU 61 -7.485 -4.379 -9.111 479 HA GLU 61 HA GLU 61 -6.331 -4.532 -6.538 480 HB2 GLU 61 2HB GLU 61 -7.448 -2.526 -7.743 481 HB3 GLU 61 3HB GLU 61 -8.949 -3.166 -7.088 482 HG2 GLU 61 2HG GLU 61 -6.855 -2.952 -5.087 483 HG3 GLU 61 3HG GLU 61 -7.247 -1.407 -5.840 484 H LYS 62 H LYS 62 -9.244 -5.870 -7.927 485 HA LYS 62 HA LYS 62 -10.269 -6.724 -5.349 486 HB2 LYS 62 2HB LYS 62 -11.259 -7.159 -8.171 487 HB3 LYS 62 3HB LYS 62 -12.074 -7.776 -6.740 488 HG2 LYS 62 2HG LYS 62 -11.486 -4.856 -7.097 489 HG3 LYS 62 3HG LYS 62 -12.946 -5.610 -7.742 490 HD2 LYS 62 2HD LYS 62 -13.847 -5.955 -5.672 491 HD3 LYS 62 3HD LYS 62 -12.271 -6.111 -4.892 492 HE2 LYS 62 2HE LYS 62 -11.998 -3.829 -4.691 493 HE3 LYS 62 3HE LYS 62 -13.095 -3.475 -6.026 494 HZ1 LYS 62 3HZ LYS 62 -14.955 -3.882 -4.687 495 HZ2 LYS 62 1HZ LYS 62 -13.919 -2.974 -3.705 496 HZ3 LYS 62 2HZ LYS 62 -14.047 -4.646 -3.481 497 H GLY 63 H GLY 63 -8.380 -7.990 -7.962 498 HA2 GLY 63 2HA GLY 63 -7.017 -9.902 -7.790 499 HA3 GLY 63 3HA GLY 63 -8.018 -10.468 -6.460 500 H THR 64 H THR 64 -9.423 -9.348 -9.446 501 HA THR 64 HA THR 64 -11.121 -11.428 -9.877 502 HB THR 64 HB THR 64 -11.222 -9.407 -11.225 503 HG1 THR 64 HG1 THR 64 -11.874 -10.425 -13.058 504 HG21 THR 64 3HG2 THR 64 -8.906 -10.386 -12.863 505 HG22 THR 64 1HG2 THR 64 -8.656 -9.331 -11.473 506 HG23 THR 64 2HG2 THR 64 -9.641 -8.784 -12.830 507 H TYR 65 H TYR 65 -7.720 -11.265 -10.762 508 HA TYR 65 HA TYR 65 -7.619 -13.550 -12.393 509 HB2 TYR 65 2HB TYR 65 -5.224 -13.489 -12.063 510 HB3 TYR 65 3HB TYR 65 -5.818 -11.841 -12.231 511 HD1 TYR 65 HD1 TYR 65 -5.877 -10.337 -10.293 512 HD2 TYR 65 HD2 TYR 65 -4.272 -14.266 -9.991 513 HE1 TYR 65 HE1 TYR 65 -4.798 -9.726 -8.169 514 HE2 TYR 65 HE2 TYR 65 -3.190 -13.666 -7.866 515 HH TYR 65 HH TYR 65 -3.995 -11.116 -6.046 516 H ALA 66 H ALA 66 -5.733 -15.241 -11.389 517 HA ALA 66 HA ALA 66 -6.751 -16.259 -8.843 518 HB1 ALA 66 1HB ALA 66 -6.972 -17.634 -11.476 519 HB2 ALA 66 2HB ALA 66 -6.671 -18.600 -10.031 520 HB3 ALA 66 3HB ALA 66 -8.109 -17.584 -10.128 521 H THR 67 H THR 67 -4.365 -16.465 -11.432 522 HA THR 67 HA THR 67 -2.200 -16.655 -9.605 523 HB THR 67 HB THR 67 -1.821 -19.043 -11.114 524 HG1 THR 67 HG1 THR 67 -3.954 -19.495 -11.223 525 HG21 THR 67 3HG2 THR 67 -1.946 -18.218 -8.260 526 HG22 THR 67 1HG2 THR 67 -0.639 -18.990 -9.156 527 HG23 THR 67 2HG2 THR 67 -2.024 -19.942 -8.622 528 H ASP 68 H ASP 68 -0.200 -17.661 -11.075 529 HA ASP 68 HA ASP 68 0.332 -15.664 -12.962 530 HB2 ASP 68 2HB ASP 68 2.371 -16.762 -13.366 531 HB3 ASP 68 3HB ASP 68 1.979 -17.184 -11.702 532 H VAL 69 H VAL 69 -1.126 -18.819 -13.290 533 HA VAL 69 HA VAL 69 -0.894 -19.025 -16.115 534 HB VAL 69 HB VAL 69 -2.848 -20.345 -14.226 535 HG11 VAL 69 1HG1 VAL 69 -2.443 -21.906 -16.532 536 HG12 VAL 69 2HG1 VAL 69 -3.923 -21.092 -16.020 537 HG13 VAL 69 3HG1 VAL 69 -2.786 -20.268 -17.087 538 HG21 VAL 69 3HG2 VAL 69 -0.092 -20.972 -15.137 539 HG22 VAL 69 1HG2 VAL 69 -0.860 -21.248 -13.573 540 HG23 VAL 69 2HG2 VAL 69 -1.217 -22.315 -14.932 541 H ASP 70 H ASP 70 -3.575 -18.045 -13.989 542 HA ASP 70 HA ASP 70 -5.419 -17.463 -16.019 543 HB2 ASP 70 2HB ASP 70 -5.286 -17.214 -13.179 544 HB3 ASP 70 3HB ASP 70 -5.848 -15.680 -13.838 545 H VAL 71 H VAL 71 -3.015 -15.424 -14.407 546 HA VAL 71 HA VAL 71 -3.744 -12.999 -15.650 547 HB VAL 71 HB VAL 71 -1.104 -13.888 -14.485 548 HG11 VAL 71 1HG1 VAL 71 -1.820 -11.486 -15.982 549 HG12 VAL 71 2HG1 VAL 71 -1.115 -11.149 -14.400 550 HG13 VAL 71 3HG1 VAL 71 -0.233 -12.134 -15.568 551 HG21 VAL 71 3HG2 VAL 71 -3.327 -12.159 -13.403 552 HG22 VAL 71 1HG2 VAL 71 -2.888 -13.777 -12.857 553 HG23 VAL 71 2HG2 VAL 71 -1.777 -12.430 -12.607 554 H GLN 72 H GLN 72 -1.287 -15.429 -16.474 555 HA GLN 72 HA GLN 72 -0.209 -14.111 -18.698 556 HB2 GLN 72 2HB GLN 72 0.988 -15.953 -17.781 557 HB3 GLN 72 3HB GLN 72 -0.385 -17.034 -17.981 558 HG2 GLN 72 2HG GLN 72 0.821 -15.758 -20.386 559 HG3 GLN 72 3HG GLN 72 1.640 -17.120 -19.625 560 HE21 GLN 72 1HE2 GLN 72 0.409 -16.943 -22.250 561 HE22 GLN 72 2HE2 GLN 72 -0.798 -18.178 -22.304 562 H ASN 73 H ASN 73 -2.954 -16.310 -18.402 563 HA ASN 73 HA ASN 73 -3.445 -16.562 -21.184 564 HB2 ASN 73 2HB ASN 73 -4.416 -18.245 -19.879 565 HB3 ASN 73 3HB ASN 73 -5.067 -17.098 -18.712 566 HD21 ASN 73 1HD2 ASN 73 -6.991 -16.068 -19.131 567 HD22 ASN 73 2HD2 ASN 73 -8.044 -16.540 -20.417 568 H ASP 74 H ASP 74 -4.610 -14.352 -18.698 569 HA ASP 74 HA ASP 74 -6.607 -13.092 -20.239 570 HB2 ASP 74 2HB ASP 74 -6.073 -12.970 -17.671 571 HB3 ASP 74 3HB ASP 74 -5.075 -11.598 -18.144 572 H VAL 75 H VAL 75 -3.238 -12.154 -19.573 573 HA VAL 75 HA VAL 75 -3.247 -9.837 -21.175 574 HB VAL 75 HB VAL 75 -1.523 -10.192 -19.502 575 HG11 VAL 75 1HG1 VAL 75 -0.468 -12.393 -21.273 576 HG12 VAL 75 2HG1 VAL 75 0.208 -11.852 -19.735 577 HG13 VAL 75 3HG1 VAL 75 -1.365 -12.650 -19.776 578 HG21 VAL 75 3HG2 VAL 75 -0.047 -8.969 -20.654 579 HG22 VAL 75 1HG2 VAL 75 0.240 -10.261 -21.821 580 HG23 VAL 75 2HG2 VAL 75 -1.134 -9.175 -22.027 581 H ALA 76 H ALA 76 -2.458 -13.204 -21.881 582 HA ALA 76 HA ALA 76 -1.386 -12.827 -24.449 583 HB1 ALA 76 1HB ALA 76 -2.362 -15.279 -24.704 584 HB2 ALA 76 2HB ALA 76 -0.949 -14.934 -23.705 585 HB3 ALA 76 3HB ALA 76 -2.534 -15.120 -22.956 586 H ARG 77 H ARG 77 -4.708 -13.552 -23.407 587 HA ARG 77 HA ARG 77 -5.833 -13.661 -25.983 588 HB2 ARG 77 2HB ARG 77 -6.807 -14.368 -23.668 589 HB3 ARG 77 3HB ARG 77 -7.388 -12.710 -23.602 590 HG2 ARG 77 2HG ARG 77 -9.183 -13.884 -24.478 591 HG3 ARG 77 3HG ARG 77 -8.412 -13.192 -25.907 592 HD2 ARG 77 2HD ARG 77 -8.152 -15.221 -26.766 593 HD3 ARG 77 3HD ARG 77 -7.198 -15.704 -25.364 594 HE ARG 77 HE ARG 77 -8.987 -16.919 -24.653 595 HH11 ARG 77 1HH1 ARG 77 -10.126 -14.452 -26.830 596 HH12 ARG 77 2HH1 ARG 77 -11.767 -15.009 -26.811 597 HH21 ARG 77 1HH2 ARG 77 -11.144 -17.662 -24.620 598 HH22 ARG 77 2HH2 ARG 77 -12.344 -16.834 -25.552 599 H MET 78 H MET 78 -5.464 -10.995 -23.682 600 HA MET 78 HA MET 78 -6.912 -9.062 -25.103 601 HB2 MET 78 2HB MET 78 -4.540 -8.695 -23.263 602 HB3 MET 78 3HB MET 78 -5.623 -7.411 -23.787 603 HG2 MET 78 2HG MET 78 -7.155 -9.550 -22.675 604 HG3 MET 78 3HG MET 78 -5.874 -9.095 -21.554 605 HE1 MET 78 3HE MET 78 -7.519 -6.981 -19.524 606 HE2 MET 78 1HE MET 78 -8.903 -7.911 -20.099 607 HE3 MET 78 2HE MET 78 -7.328 -8.688 -19.929 608 H ILE 79 H ILE 79 -3.485 -9.953 -25.229 609 HA ILE 79 HA ILE 79 -2.677 -7.944 -27.029 610 HB ILE 79 HB ILE 79 -1.499 -10.687 -26.574 611 HG12 ILE 79 2HG1 ILE 79 -0.299 -8.142 -25.569 612 HG13 ILE 79 3HG1 ILE 79 -1.680 -8.814 -24.710 613 HG21 ILE 79 1HG2 ILE 79 -0.873 -8.657 -28.514 614 HG22 ILE 79 2HG2 ILE 79 0.486 -8.911 -27.420 615 HG23 ILE 79 3HG2 ILE 79 -0.188 -10.271 -28.319 616 HD11 ILE 79 3HD1 ILE 79 0.425 -9.517 -23.718 617 HD12 ILE 79 1HD1 ILE 79 -0.467 -10.893 -24.367 618 HD13 ILE 79 2HD1 ILE 79 0.913 -10.240 -25.251 619 H THR 80 H THR 80 -3.666 -11.315 -27.575 620 HA THR 80 HA THR 80 -3.309 -11.390 -30.338 621 HB THR 80 HB THR 80 -4.816 -13.279 -30.379 622 HG1 THR 80 HG1 THR 80 -5.530 -12.658 -27.695 623 HG21 THR 80 3HG2 THR 80 -2.637 -13.024 -28.564 624 HG22 THR 80 1HG2 THR 80 -3.196 -14.463 -29.415 625 HG23 THR 80 2HG2 THR 80 -3.854 -14.067 -27.828 626 H ASN 81 H ASN 81 -6.178 -10.477 -28.451 627 HA ASN 81 HA ASN 81 -7.879 -10.009 -30.640 628 HB2 ASN 81 2HB ASN 81 -7.890 -9.433 -27.755 629 HB3 ASN 81 3HB ASN 81 -8.811 -8.288 -28.726 630 HD21 ASN 81 1HD2 ASN 81 -9.760 -10.226 -26.795 631 HD22 ASN 81 2HD2 ASN 81 -10.854 -11.262 -27.641 632 H ALA 82 H ALA 82 -5.711 -7.862 -28.845 633 HA ALA 82 HA ALA 82 -6.419 -5.461 -30.108 634 HB1 ALA 82 1HB ALA 82 -5.072 -5.623 -28.040 635 HB2 ALA 82 2HB ALA 82 -3.712 -6.199 -29.005 636 HB3 ALA 82 3HB ALA 82 -4.347 -4.573 -29.257 637 H LEU 83 H LEU 83 -4.071 -7.951 -30.978 638 HA LEU 83 HA LEU 83 -2.927 -6.523 -33.152 639 HB2 LEU 83 2HB LEU 83 -1.573 -8.214 -32.354 640 HB3 LEU 83 3HB LEU 83 -2.906 -9.360 -32.227 641 HG LEU 83 HG LEU 83 -2.109 -8.487 -34.950 642 HD11 LEU 83 1HD1 LEU 83 -0.366 -10.295 -34.961 643 HD12 LEU 83 2HD1 LEU 83 -0.450 -10.287 -33.199 644 HD13 LEU 83 3HD1 LEU 83 0.064 -8.838 -34.063 645 HD21 LEU 83 3HD2 LEU 83 -3.747 -10.453 -33.783 646 HD22 LEU 83 1HD2 LEU 83 -2.394 -11.303 -34.529 647 HD23 LEU 83 2HD2 LEU 83 -3.391 -10.214 -35.494 648 H GLU 84 H GLU 84 -5.584 -8.818 -32.855 649 HA GLU 84 HA GLU 84 -6.019 -9.239 -35.606 650 HB2 GLU 84 2HB GLU 84 -7.054 -10.778 -34.169 651 HB3 GLU 84 3HB GLU 84 -7.751 -9.513 -33.167 652 HG2 GLU 84 2HG GLU 84 -9.355 -8.966 -34.845 653 HG3 GLU 84 3HG GLU 84 -8.573 -10.031 -36.012 654 H TYR 85 H TYR 85 -7.115 -6.753 -33.385 655 HA TYR 85 HA TYR 85 -8.875 -5.568 -35.363 656 HB2 TYR 85 2HB TYR 85 -9.665 -5.466 -33.112 657 HB3 TYR 85 3HB TYR 85 -8.140 -4.801 -32.537 658 HD1 TYR 85 HD1 TYR 85 -10.352 -3.836 -35.390 659 HD2 TYR 85 HD2 TYR 85 -8.546 -2.678 -31.715 660 HE1 TYR 85 HE1 TYR 85 -11.243 -1.561 -35.675 661 HE2 TYR 85 HE2 TYR 85 -9.433 -0.401 -31.990 662 HH TYR 85 HH TYR 85 -10.311 1.055 -33.563 663 H ASN 86 H ASN 86 -5.679 -5.089 -34.051 664 HA ASN 86 HA ASN 86 -5.320 -2.462 -35.138 665 HB2 ASN 86 2HB ASN 86 -3.562 -4.473 -33.792 666 HB3 ASN 86 3HB ASN 86 -2.814 -3.146 -34.677 667 HD21 ASN 86 1HD2 ASN 86 -2.236 -1.580 -33.375 668 HD22 ASN 86 2HD2 ASN 86 -3.113 -1.019 -31.996 669 H ALA 87 H ALA 87 -5.514 -5.450 -36.551 670 HA ALA 87 HA ALA 87 -3.431 -5.329 -38.472 671 HB1 ALA 87 1HB ALA 87 -5.358 -6.848 -39.667 672 HB2 ALA 87 2HB ALA 87 -4.158 -7.446 -38.520 673 HB3 ALA 87 3HB ALA 87 -5.771 -7.007 -37.959 674 H LYS 88 H LYS 88 -3.357 -3.377 -39.520 675 HA LYS 88 HA LYS 88 -5.657 -2.766 -41.259 676 HB2 LYS 88 2HB LYS 88 -5.543 -1.060 -39.559 677 HB3 LYS 88 3HB LYS 88 -3.818 -0.844 -39.827 678 HG2 LYS 88 2HG LYS 88 -4.169 0.614 -41.463 679 HG3 LYS 88 3HG LYS 88 -5.328 -0.452 -42.262 680 HD2 LYS 88 2HD LYS 88 -6.560 1.470 -41.718 681 HD3 LYS 88 3HD LYS 88 -6.987 0.298 -40.469 682 HE2 LYS 88 2HE LYS 88 -5.405 1.331 -38.936 683 HE3 LYS 88 3HE LYS 88 -4.913 2.471 -40.188 684 HZ1 LYS 88 3HZ LYS 88 -7.613 2.765 -40.069 685 HZ2 LYS 88 1HZ LYS 88 -6.476 3.790 -39.347 686 HZ3 LYS 88 2HZ LYS 88 -7.186 2.547 -38.447 687 H GLY 89 H GLY 89 -2.346 -1.482 -41.017 688 HA2 GLY 89 2HA GLY 89 -0.985 -2.751 -42.947 689 HA3 GLY 89 3HA GLY 89 -2.053 -1.727 -43.895 690 H SER 90 H SER 90 -1.950 0.358 -41.739 691 HA SER 90 HA SER 90 0.175 1.881 -42.828 692 HB2 SER 90 2HB SER 90 -0.703 2.892 -40.266 693 HB3 SER 90 3HB SER 90 -0.944 3.575 -41.874 694 HG SER 90 HG SER 90 -2.637 2.028 -40.329 695 H THR 91 H THR 91 1.627 3.113 -41.089 696 HA THR 91 HA THR 91 3.618 1.343 -40.301 697 HB THR 91 HB THR 91 3.539 3.747 -38.643 698 HG1 THR 91 HG1 THR 91 3.090 5.176 -40.142 699 HG21 THR 91 3HG2 THR 91 5.502 2.218 -39.358 700 HG22 THR 91 1HG2 THR 91 5.760 3.962 -39.319 701 HG23 THR 91 2HG2 THR 91 5.472 3.148 -40.857 702 H TRP 92 H TRP 92 0.762 2.400 -38.616 703 HA TRP 92 HA TRP 92 1.502 1.740 -35.990 704 HB2 TRP 92 2HB TRP 92 -1.068 2.139 -37.436 705 HB3 TRP 92 3HB TRP 92 -1.134 1.307 -35.885 706 HD1 TRP 92 HD1 TRP 92 -1.114 2.786 -33.770 707 HE1 TRP 92 HE1 TRP 92 -0.800 5.299 -33.311 708 HE3 TRP 92 HE3 TRP 92 0.321 4.291 -38.440 709 HZ2 TRP 92 HZ2 TRP 92 -0.044 7.613 -34.740 710 HZ3 TRP 92 HZ3 TRP 92 0.821 6.671 -38.811 711 HH2 TRP 92 HH2 TRP 92 0.641 8.297 -36.998 712 H TYR 93 H TYR 93 0.145 -0.201 -38.601 713 HA TYR 93 HA TYR 93 -0.354 -2.520 -37.055 714 HB2 TYR 93 2HB TYR 93 -1.449 -2.242 -39.187 715 HB3 TYR 93 3HB TYR 93 0.097 -2.161 -40.023 716 HD1 TYR 93 HD2 TYR 93 -1.131 -4.544 -37.427 717 HD2 TYR 93 HD1 TYR 93 0.177 -3.998 -41.439 718 HE1 TYR 93 HE2 TYR 93 -1.195 -6.978 -37.773 719 HE2 TYR 93 HE1 TYR 93 0.115 -6.430 -41.797 720 HH TYR 93 HH TYR 93 -1.488 -8.519 -39.949 721 H GLN 94 H GLN 94 2.426 -1.407 -38.918 722 HA GLN 94 HA GLN 94 3.936 -3.788 -38.730 723 HB2 GLN 94 2HB GLN 94 4.410 -1.004 -39.555 724 HB3 GLN 94 3HB GLN 94 5.831 -1.833 -38.934 725 HG2 GLN 94 2HG GLN 94 6.059 -2.492 -41.061 726 HG3 GLN 94 3HG GLN 94 4.878 -3.716 -40.601 727 HE21 GLN 94 1HE2 GLN 94 4.866 -0.311 -41.614 728 HE22 GLN 94 2HE2 GLN 94 3.592 -0.483 -42.768 729 H GLU 95 H GLU 95 3.957 -0.806 -36.796 730 HA GLU 95 HA GLU 95 5.991 -1.628 -35.018 731 HB2 GLU 95 2HB GLU 95 5.196 0.206 -33.578 732 HB3 GLU 95 3HB GLU 95 5.384 0.714 -35.251 733 HG2 GLU 95 2HG GLU 95 2.961 0.463 -35.577 734 HG3 GLU 95 3HG GLU 95 2.796 0.024 -33.878 735 H ALA 96 H ALA 96 2.489 -1.983 -34.977 736 HA ALA 96 HA ALA 96 2.262 -2.944 -32.328 737 HB1 ALA 96 1HB ALA 96 0.423 -2.072 -33.891 738 HB2 ALA 96 2HB ALA 96 0.384 -3.714 -34.535 739 HB3 ALA 96 3HB ALA 96 0.036 -3.427 -32.830 740 H MET 97 H MET 97 2.599 -4.596 -35.451 741 HA MET 97 HA MET 97 2.427 -7.221 -34.395 742 HB2 MET 97 2HB MET 97 2.733 -6.013 -36.956 743 HB3 MET 97 3HB MET 97 4.006 -7.211 -36.769 744 HG2 MET 97 2HG MET 97 1.550 -8.319 -35.843 745 HG3 MET 97 3HG MET 97 1.303 -7.619 -37.441 746 HE1 MET 97 3HE MET 97 2.566 -10.216 -35.265 747 HE2 MET 97 1HE MET 97 3.348 -11.425 -36.284 748 HE3 MET 97 2HE MET 97 4.266 -10.036 -35.701 749 H SER 98 H SER 98 5.120 -5.041 -35.062 750 HA SER 98 HA SER 98 7.193 -6.900 -34.594 751 HB2 SER 98 2HB SER 98 6.955 -4.022 -35.018 752 HB3 SER 98 3HB SER 98 8.240 -4.431 -33.883 753 HG SER 98 HG SER 98 7.937 -5.689 -36.403 754 H PHE 99 H PHE 99 5.540 -4.591 -32.477 755 HA PHE 99 HA PHE 99 7.124 -5.154 -30.185 756 HB2 PHE 99 2HB PHE 99 4.788 -3.520 -30.832 757 HB3 PHE 99 3HB PHE 99 4.712 -4.212 -29.214 758 HD1 PHE 99 HD1 PHE 99 6.675 -3.829 -27.658 759 HD2 PHE 99 HD2 PHE 99 6.119 -1.660 -31.277 760 HE1 PHE 99 HE1 PHE 99 8.190 -2.073 -26.834 761 HE2 PHE 99 HE2 PHE 99 7.633 0.099 -30.460 762 HZ PHE 99 HZ PHE 99 8.671 -0.107 -28.236 763 H ARG 100 H ARG 100 4.130 -6.461 -31.476 764 HA ARG 100 HA ARG 100 3.221 -7.887 -29.271 765 HB2 ARG 100 2HB ARG 100 2.616 -7.740 -32.040 766 HB3 ARG 100 3HB ARG 100 2.793 -9.442 -31.635 767 HG2 ARG 100 2HG ARG 100 0.480 -8.679 -31.429 768 HG3 ARG 100 3HG ARG 100 1.133 -9.229 -29.884 769 HD2 ARG 100 2HD ARG 100 0.618 -7.271 -28.977 770 HD3 ARG 100 3HD ARG 100 1.698 -6.466 -30.115 771 HE ARG 100 HE ARG 100 -0.521 -6.781 -31.583 772 HH11 ARG 100 1HH1 ARG 100 -0.022 -5.560 -28.361 773 HH12 ARG 100 2HH1 ARG 100 -1.371 -4.474 -28.423 774 HH21 ARG 100 1HH2 ARG 100 -2.299 -5.355 -31.677 775 HH22 ARG 100 2HH2 ARG 100 -2.666 -4.359 -30.309 776 H LYS 101 H LYS 101 5.919 -8.484 -31.349 777 HA LYS 101 HA LYS 101 6.231 -11.256 -30.807 778 HB2 LYS 101 2HB LYS 101 8.128 -11.140 -32.091 779 HB3 LYS 101 3HB LYS 101 7.301 -9.693 -32.653 780 HG2 LYS 101 2HG LYS 101 8.643 -8.479 -30.820 781 HG3 LYS 101 3HG LYS 101 9.654 -9.926 -30.820 782 HD2 LYS 101 2HD LYS 101 9.060 -8.834 -33.482 783 HD3 LYS 101 3HD LYS 101 10.025 -7.779 -32.447 784 HE2 LYS 101 2HE LYS 101 11.569 -9.681 -32.044 785 HE3 LYS 101 3HE LYS 101 10.640 -10.635 -33.198 786 HZ1 LYS 101 3HZ LYS 101 11.543 -8.052 -34.157 787 HZ2 LYS 101 1HZ LYS 101 11.527 -9.554 -34.937 788 HZ3 LYS 101 2HZ LYS 101 12.770 -9.176 -33.854 789 H THR 102 H THR 102 6.963 -8.392 -29.050 790 HA THR 102 HA THR 102 8.555 -9.959 -27.125 791 HB THR 102 HB THR 102 9.834 -8.109 -28.101 792 HG1 THR 102 HG1 THR 102 10.463 -7.205 -26.106 793 HG21 THR 102 3HG2 THR 102 7.543 -6.451 -27.070 794 HG22 THR 102 1HG2 THR 102 8.192 -6.520 -28.708 795 HG23 THR 102 2HG2 THR 102 9.128 -5.761 -27.419 796 H TYR 103 H TYR 103 5.593 -8.489 -27.644 797 HA TYR 103 HA TYR 103 4.980 -7.350 -25.164 798 HB2 TYR 103 2HB TYR 103 3.649 -7.386 -27.417 799 HB3 TYR 103 3HB TYR 103 2.908 -8.834 -26.744 800 HD1 TYR 103 HD1 TYR 103 2.337 -8.372 -24.052 801 HD2 TYR 103 HD2 TYR 103 2.316 -5.525 -27.214 802 HE1 TYR 103 HE1 TYR 103 0.761 -6.978 -22.778 803 HE2 TYR 103 HE2 TYR 103 0.741 -4.123 -25.948 804 HH TYR 103 HH TYR 103 -0.922 -4.375 -24.162 805 H LEU 104 H LEU 104 4.242 -10.631 -26.352 806 HA LEU 104 HA LEU 104 3.315 -11.537 -23.812 807 HB2 LEU 104 2HB LEU 104 3.406 -13.787 -24.873 808 HB3 LEU 104 3HB LEU 104 2.462 -12.594 -25.764 809 HG LEU 104 HG LEU 104 5.226 -12.748 -26.672 810 HD11 LEU 104 1HD1 LEU 104 4.830 -15.109 -25.940 811 HD12 LEU 104 2HD1 LEU 104 5.162 -14.910 -27.660 812 HD13 LEU 104 3HD1 LEU 104 3.510 -15.182 -27.107 813 HD21 LEU 104 3HD2 LEU 104 3.204 -11.650 -27.757 814 HD22 LEU 104 1HD2 LEU 104 2.695 -13.279 -28.202 815 HD23 LEU 104 2HD2 LEU 104 4.228 -12.640 -28.797 816 H ASP 105 H ASP 105 6.378 -11.681 -25.529 817 HA ASP 105 HA ASP 105 7.712 -13.555 -23.957 818 HB2 ASP 105 2HB ASP 105 8.442 -12.307 -26.137 819 HB3 ASP 105 3HB ASP 105 9.142 -11.141 -25.017 820 H LEU 106 H LEU 106 7.276 -10.080 -23.489 821 HA LEU 106 HA LEU 106 8.774 -10.167 -20.991 822 HB2 LEU 106 2HB LEU 106 7.657 -8.012 -22.721 823 HB3 LEU 106 3HB LEU 106 7.976 -7.664 -21.023 824 HG LEU 106 HG LEU 106 9.809 -6.949 -22.494 825 HD11 LEU 106 1HD1 LEU 106 10.987 -9.215 -20.997 826 HD12 LEU 106 2HD1 LEU 106 10.019 -8.058 -20.085 827 HD13 LEU 106 3HD1 LEU 106 11.421 -7.506 -21.001 828 HD21 LEU 106 3HD2 LEU 106 9.332 -9.126 -23.969 829 HD22 LEU 106 1HD2 LEU 106 10.659 -9.740 -22.982 830 HD23 LEU 106 2HD2 LEU 106 10.888 -8.293 -23.965 831 H ALA 107 H ALA 107 5.979 -11.347 -21.587 832 HA ALA 107 HA ALA 107 4.697 -10.219 -19.186 833 HB1 ALA 107 1HB ALA 107 3.639 -9.690 -21.502 834 HB2 ALA 107 2HB ALA 107 3.052 -11.351 -21.408 835 HB3 ALA 107 3HB ALA 107 2.606 -10.186 -20.161 836 H ARG 108 H ARG 108 6.397 -12.314 -18.916 837 HA ARG 108 HA ARG 108 4.849 -14.258 -17.645 838 HB2 ARG 108 2HB ARG 108 5.042 -14.667 -20.453 839 HB3 ARG 108 3HB ARG 108 6.019 -15.900 -19.666 840 HG2 ARG 108 2HG ARG 108 3.105 -15.327 -19.177 841 HG3 ARG 108 3HG ARG 108 3.789 -16.728 -20.004 842 HD2 ARG 108 2HD ARG 108 5.051 -17.155 -17.812 843 HD3 ARG 108 3HD ARG 108 3.914 -16.016 -17.092 844 HE ARG 108 HE ARG 108 2.347 -17.668 -17.118 845 HH11 ARG 108 1HH1 ARG 108 4.793 -18.430 -19.476 846 HH12 ARG 108 2HH1 ARG 108 4.114 -19.974 -19.873 847 HH21 ARG 108 1HH2 ARG 108 1.444 -19.699 -17.632 848 HH22 ARG 108 2HH2 ARG 108 2.209 -20.694 -18.825 849 H GLN 109 H GLN 109 7.857 -13.829 -19.485 850 HA GLN 109 HA GLN 109 9.392 -15.568 -17.839 851 HB2 GLN 109 2HB GLN 109 10.111 -15.127 -20.098 852 HB3 GLN 109 3HB GLN 109 10.207 -13.400 -19.778 853 HG2 GLN 109 2HG GLN 109 12.033 -13.795 -18.202 854 HG3 GLN 109 3HG GLN 109 11.939 -15.524 -18.533 855 HE21 GLN 109 1HE2 GLN 109 13.648 -16.077 -19.675 856 HE22 GLN 109 2HE2 GLN 109 14.270 -15.235 -21.049 857 H SER 110 H SER 110 8.690 -12.133 -17.797 858 HA SER 110 HA SER 110 10.669 -11.417 -15.889 859 HB2 SER 110 2HB SER 110 9.794 -9.656 -17.221 860 HB3 SER 110 3HB SER 110 8.129 -10.079 -16.822 861 HG SER 110 HG SER 110 9.313 -8.231 -15.677 862 H GLY 111 H GLY 111 7.500 -12.803 -15.667 863 HA2 GLY 111 2HA GLY 111 7.009 -12.109 -12.937 864 HA3 GLY 111 3HA GLY 111 6.155 -13.329 -13.870 Start of MODEL 7 1 H1 MET 1 H MET 1 -0.231 -5.835 1.995 2 HA MET 1 HA MET 1 -1.842 -7.253 1.201 3 HB2 MET 1 2HB MET 1 -1.715 -5.292 -1.051 4 HB3 MET 1 3HB MET 1 -2.543 -6.822 -1.304 5 HG2 MET 1 2HG MET 1 -3.702 -6.136 0.978 6 HG3 MET 1 3HG MET 1 -3.275 -4.523 0.411 7 HE1 MET 1 3HE MET 1 -7.164 -5.257 -0.269 8 HE2 MET 1 1HE MET 1 -6.360 -6.556 0.612 9 HE3 MET 1 2HE MET 1 -6.016 -4.874 1.015 10 H SER 2 H SER 2 0.484 -6.458 -1.384 11 HA SER 2 HA SER 2 0.979 -9.348 -1.685 12 HB2 SER 2 2HB SER 2 1.799 -7.744 -3.971 13 HB3 SER 2 3HB SER 2 0.761 -9.169 -3.915 14 HG SER 2 HG SER 2 -0.930 -7.923 -3.987 15 H LYS 3 H LYS 3 3.215 -9.503 -3.052 16 HA LYS 3 HA LYS 3 5.479 -9.519 -2.789 17 HB2 LYS 3 2HB LYS 3 4.829 -6.595 -2.472 18 HB3 LYS 3 3HB LYS 3 6.486 -7.184 -2.461 19 HG2 LYS 3 2HG LYS 3 5.509 -8.355 -4.714 20 HG3 LYS 3 3HG LYS 3 4.629 -6.825 -4.691 21 HD2 LYS 3 2HD LYS 3 7.619 -7.036 -4.376 22 HD3 LYS 3 3HD LYS 3 6.816 -6.780 -5.927 23 HE2 LYS 3 2HE LYS 3 5.649 -4.823 -4.569 24 HE3 LYS 3 3HE LYS 3 7.124 -4.944 -3.610 25 HZ1 LYS 3 3HZ LYS 3 8.435 -4.342 -5.398 26 HZ2 LYS 3 1HZ LYS 3 7.073 -3.361 -5.614 27 HZ3 LYS 3 2HZ LYS 3 7.267 -4.758 -6.548 28 H ASN 4 H ASN 4 3.862 -10.047 -0.421 29 HA ASN 4 HA ASN 4 5.949 -9.602 1.570 30 HB2 ASN 4 2HB ASN 4 4.310 -8.912 3.279 31 HB3 ASN 4 3HB ASN 4 4.382 -7.764 1.945 32 HD21 ASN 4 1HD2 ASN 4 2.310 -8.960 3.994 33 HD22 ASN 4 2HD2 ASN 4 0.887 -9.090 3.023 34 H GLU 5 H GLU 5 2.831 -11.124 0.830 35 HA GLU 5 HA GLU 5 3.276 -13.230 2.761 36 HB2 GLU 5 2HB GLU 5 1.098 -12.761 0.723 37 HB3 GLU 5 3HB GLU 5 1.136 -14.149 1.802 38 HG2 GLU 5 2HG GLU 5 0.785 -12.835 3.699 39 HG3 GLU 5 3HG GLU 5 1.228 -11.349 2.860 40 H ARG 6 H ARG 6 3.613 -12.735 -0.677 41 HA ARG 6 HA ARG 6 4.478 -14.014 -2.347 42 HB2 ARG 6 2HB ARG 6 5.951 -14.740 0.067 43 HB3 ARG 6 3HB ARG 6 5.941 -16.023 -1.135 44 HG2 ARG 6 2HG ARG 6 7.781 -14.908 -1.834 45 HG3 ARG 6 3HG ARG 6 6.566 -14.001 -2.737 46 HD2 ARG 6 2HD ARG 6 7.188 -12.136 -1.707 47 HD3 ARG 6 3HD ARG 6 6.774 -12.854 -0.151 48 HE ARG 6 HE ARG 6 9.278 -13.822 -0.872 49 HH11 ARG 6 1HH1 ARG 6 7.791 -10.776 -0.081 50 HH12 ARG 6 2HH1 ARG 6 9.243 -10.088 0.569 51 HH21 ARG 6 1HH2 ARG 6 11.195 -12.928 -0.019 52 HH22 ARG 6 2HH2 ARG 6 11.178 -11.312 0.603 53 H ASP 7 H ASP 7 2.630 -14.935 -3.164 54 HA ASP 7 HA ASP 7 2.269 -17.764 -2.549 55 HB2 ASP 7 2HB ASP 7 0.638 -16.283 -1.197 56 HB3 ASP 7 3HB ASP 7 -0.160 -16.000 -2.742 57 H THR 8 H THR 8 3.308 -16.095 -4.783 58 HA THR 8 HA THR 8 3.045 -15.784 -7.054 59 HB THR 8 HB THR 8 3.931 -18.058 -6.891 60 HG1 THR 8 HG1 THR 8 3.684 -18.157 -8.984 61 HG21 THR 8 3HG2 THR 8 1.023 -18.802 -6.684 62 HG22 THR 8 1HG2 THR 8 2.342 -19.223 -5.592 63 HG23 THR 8 2HG2 THR 8 2.256 -19.955 -7.194 64 H SER 9 H SER 9 0.775 -14.824 -5.803 65 HA SER 9 HA SER 9 -1.443 -15.825 -7.454 66 HB2 SER 9 2HB SER 9 -1.327 -15.215 -4.729 67 HB3 SER 9 3HB SER 9 -2.204 -13.865 -5.451 68 HG SER 9 HG SER 9 -3.149 -16.237 -4.877 69 H PHE 10 H PHE 10 0.583 -13.090 -6.824 70 HA PHE 10 HA PHE 10 -0.912 -11.551 -8.844 71 HB2 PHE 10 2HB PHE 10 -1.197 -10.420 -6.752 72 HB3 PHE 10 3HB PHE 10 0.515 -10.568 -6.371 73 HD1 PHE 10 HD2 PHE 10 -1.151 -9.459 -9.506 74 HD2 PHE 10 HD1 PHE 10 1.310 -8.405 -6.197 75 HE1 PHE 10 HE2 PHE 10 -0.740 -7.255 -10.518 76 HE2 PHE 10 HE1 PHE 10 1.724 -6.199 -7.204 77 HZ PHE 10 HZ PHE 10 0.700 -5.622 -9.368 78 H ASN 11 H ASN 11 0.187 -11.121 -10.635 79 HA ASN 11 HA ASN 11 3.105 -11.452 -10.600 80 HB2 ASN 11 2HB ASN 11 1.461 -12.747 -12.194 81 HB3 ASN 11 3HB ASN 11 1.513 -11.256 -13.130 82 HD21 ASN 11 1HD2 ASN 11 3.064 -11.079 -14.575 83 HD22 ASN 11 2HD2 ASN 11 4.525 -12.001 -14.614 84 H LYS 12 H LYS 12 3.352 -9.306 -9.677 85 HA LYS 12 HA LYS 12 2.460 -6.935 -10.812 86 HB2 LYS 12 2HB LYS 12 3.760 -7.363 -8.609 87 HB3 LYS 12 3HB LYS 12 5.200 -7.170 -9.601 88 HG2 LYS 12 2HG LYS 12 4.001 -4.956 -10.344 89 HG3 LYS 12 3HG LYS 12 3.157 -5.160 -8.808 90 HD2 LYS 12 2HD LYS 12 4.980 -3.878 -8.192 91 HD3 LYS 12 3HD LYS 12 5.547 -5.513 -7.844 92 HE2 LYS 12 2HE LYS 12 7.054 -5.498 -9.546 93 HE3 LYS 12 3HE LYS 12 6.056 -4.463 -10.566 94 HZ1 LYS 12 3HZ LYS 12 7.695 -3.604 -8.244 95 HZ2 LYS 12 1HZ LYS 12 6.652 -2.590 -9.107 96 HZ3 LYS 12 2HZ LYS 12 7.998 -3.268 -9.874 97 H ASN 13 H ASN 13 5.154 -8.992 -11.711 98 HA ASN 13 HA ASN 13 6.542 -7.246 -13.387 99 HB2 ASN 13 2HB ASN 13 6.796 -9.892 -12.646 100 HB3 ASN 13 3HB ASN 13 6.449 -10.001 -14.370 101 HD21 ASN 13 1HD2 ASN 13 7.763 -8.512 -15.758 102 HD22 ASN 13 2HD2 ASN 13 9.434 -8.336 -15.355 103 H GLY 14 H GLY 14 3.816 -9.404 -14.082 104 HA2 GLY 14 2HA GLY 14 3.714 -8.929 -16.862 105 HA3 GLY 14 3HA GLY 14 2.385 -9.517 -15.874 106 H CYS 15 H CYS 15 2.271 -7.230 -14.134 107 HA CYS 15 HA CYS 15 0.560 -5.581 -15.687 108 HB2 CYS 15 2HB CYS 15 0.170 -5.971 -13.298 109 HB3 CYS 15 3HB CYS 15 1.676 -5.147 -12.909 110 HG CYS 15 HG CYS 15 0.476 -2.922 -12.499 111 H LEU 16 H LEU 16 3.820 -5.166 -14.380 112 HA LEU 16 HA LEU 16 4.136 -2.467 -15.159 113 HB2 LEU 16 2HB LEU 16 5.617 -3.249 -13.526 114 HB3 LEU 16 3HB LEU 16 6.044 -4.674 -14.471 115 HG LEU 16 HG LEU 16 6.794 -2.225 -15.827 116 HD11 LEU 16 1HD1 LEU 16 8.619 -1.623 -14.288 117 HD12 LEU 16 2HD1 LEU 16 7.947 -2.725 -13.087 118 HD13 LEU 16 3HD1 LEU 16 7.025 -1.313 -13.601 119 HD21 LEU 16 3HD2 LEU 16 9.046 -3.447 -15.659 120 HD22 LEU 16 1HD2 LEU 16 7.752 -4.213 -16.580 121 HD23 LEU 16 2HD2 LEU 16 8.118 -4.768 -14.947 122 H VAL 17 H VAL 17 5.066 -5.521 -16.713 123 HA VAL 17 HA VAL 17 6.284 -4.326 -18.976 124 HB VAL 17 HB VAL 17 6.711 -6.661 -18.288 125 HG11 VAL 17 1HG1 VAL 17 4.399 -7.236 -17.674 126 HG12 VAL 17 2HG1 VAL 17 3.954 -7.215 -19.381 127 HG13 VAL 17 3HG1 VAL 17 5.107 -8.409 -18.783 128 HG21 VAL 17 3HG2 VAL 17 5.928 -5.878 -21.032 129 HG22 VAL 17 1HG2 VAL 17 7.477 -6.449 -20.412 130 HG23 VAL 17 2HG2 VAL 17 6.180 -7.599 -20.738 131 H PHE 18 H PHE 18 3.002 -5.361 -18.256 132 HA PHE 18 HA PHE 18 1.971 -5.174 -20.876 133 HB2 PHE 18 2HB PHE 18 0.801 -6.362 -19.072 134 HB3 PHE 18 3HB PHE 18 0.541 -4.838 -18.231 135 HD1 PHE 18 HD2 PHE 18 -0.955 -3.123 -19.238 136 HD2 PHE 18 HD1 PHE 18 -0.615 -7.058 -20.823 137 HE1 PHE 18 HE2 PHE 18 -3.066 -2.808 -20.462 138 HE2 PHE 18 HE1 PHE 18 -2.725 -6.750 -22.051 139 HZ PHE 18 HZ PHE 18 -3.954 -4.623 -21.870 140 H VAL 19 H VAL 19 1.603 -2.908 -18.143 141 HA VAL 19 HA VAL 19 0.431 -0.838 -19.619 142 HB VAL 19 HB VAL 19 1.105 0.650 -17.766 143 HG11 VAL 19 1HG1 VAL 19 -0.796 -0.182 -16.953 144 HG12 VAL 19 2HG1 VAL 19 -0.416 -1.808 -17.523 145 HG13 VAL 19 3HG1 VAL 19 0.205 -1.250 -15.969 146 HG21 VAL 19 3HG2 VAL 19 2.179 -0.765 -15.794 147 HG22 VAL 19 1HG2 VAL 19 2.879 -1.648 -17.151 148 HG23 VAL 19 2HG2 VAL 19 3.169 0.084 -16.981 149 H SER 20 H SER 20 3.807 -1.613 -18.980 150 HA SER 20 HA SER 20 4.942 0.769 -19.954 151 HB2 SER 20 2HB SER 20 6.331 -0.669 -18.661 152 HB3 SER 20 3HB SER 20 6.021 -2.042 -19.723 153 HG SER 20 HG SER 20 7.568 -1.384 -20.978 154 H ARG 21 H ARG 21 4.375 -2.355 -21.561 155 HA ARG 21 HA ARG 21 5.320 -1.490 -24.096 156 HB2 ARG 21 2HB ARG 21 3.532 -3.803 -23.328 157 HB3 ARG 21 3HB ARG 21 4.197 -3.557 -24.937 158 HG2 ARG 21 2HG ARG 21 5.930 -3.802 -22.498 159 HG3 ARG 21 3HG ARG 21 5.406 -5.198 -23.443 160 HD2 ARG 21 2HD ARG 21 7.044 -4.842 -24.897 161 HD3 ARG 21 3HD ARG 21 6.405 -3.235 -25.237 162 HE ARG 21 HE ARG 21 7.792 -2.890 -22.934 163 HH11 ARG 21 1HH1 ARG 21 8.578 -4.248 -26.041 164 HH12 ARG 21 2HH1 ARG 21 10.251 -3.806 -25.957 165 HH21 ARG 21 1HH2 ARG 21 9.993 -2.303 -22.811 166 HH22 ARG 21 2HH2 ARG 21 11.055 -2.701 -24.118 167 H LEU 22 H LEU 22 2.136 -1.625 -22.589 168 HA LEU 22 HA LEU 22 0.578 -1.058 -24.843 169 HB2 LEU 22 2HB LEU 22 -0.731 -1.693 -23.098 170 HB3 LEU 22 3HB LEU 22 0.244 -0.829 -21.911 171 HG LEU 22 HG LEU 22 -1.379 0.798 -23.790 172 HD11 LEU 22 1HD1 LEU 22 -2.531 -0.892 -21.587 173 HD12 LEU 22 2HD1 LEU 22 -3.029 -0.814 -23.277 174 HD13 LEU 22 3HD1 LEU 22 -3.325 0.556 -22.206 175 HD21 LEU 22 3HD2 LEU 22 -1.711 1.647 -21.178 176 HD22 LEU 22 1HD2 LEU 22 -0.576 2.302 -22.358 177 HD23 LEU 22 2HD2 LEU 22 -0.049 1.057 -21.226 178 H TRP 23 H TRP 23 2.139 1.105 -22.512 179 HA TRP 23 HA TRP 23 1.113 3.520 -23.492 180 HB2 TRP 23 2HB TRP 23 3.603 2.807 -21.966 181 HB3 TRP 23 3HB TRP 23 3.309 4.463 -22.486 182 HD1 TRP 23 HD1 TRP 23 0.095 4.360 -21.894 183 HE1 TRP 23 HE1 TRP 23 -0.676 4.518 -19.444 184 HE3 TRP 23 HE3 TRP 23 4.433 2.949 -19.586 185 HZ2 TRP 23 HZ2 TRP 23 0.411 4.102 -16.872 186 HZ3 TRP 23 HZ3 TRP 23 4.484 2.856 -17.127 187 HH2 TRP 23 HH2 TRP 23 2.514 3.421 -15.801 188 H ASP 24 H ASP 24 3.883 1.593 -24.489 189 HA ASP 24 HA ASP 24 4.982 3.525 -26.260 190 HB2 ASP 24 2HB ASP 24 5.872 1.166 -25.244 191 HB3 ASP 24 3HB ASP 24 5.447 0.677 -26.882 192 H LEU 25 H LEU 25 3.064 0.579 -26.858 193 HA LEU 25 HA LEU 25 2.793 0.892 -29.616 194 HB2 LEU 25 2HB LEU 25 2.231 -1.144 -28.295 195 HB3 LEU 25 3HB LEU 25 0.772 -0.325 -27.741 196 HG LEU 25 HG LEU 25 0.530 -2.013 -29.635 197 HD11 LEU 25 1HD1 LEU 25 -0.607 0.408 -30.754 198 HD12 LEU 25 2HD1 LEU 25 -0.838 0.303 -29.009 199 HD13 LEU 25 3HD1 LEU 25 -1.406 -1.000 -30.053 200 HD21 LEU 25 3HD2 LEU 25 1.705 0.273 -31.214 201 HD22 LEU 25 1HD2 LEU 25 1.007 -1.206 -31.875 202 HD23 LEU 25 2HD2 LEU 25 2.489 -1.280 -30.921 203 H ASP 26 H ASP 26 1.076 2.381 -26.969 204 HA ASP 26 HA ASP 26 -1.087 3.391 -28.542 205 HB2 ASP 26 2HB ASP 26 -1.424 3.103 -26.176 206 HB3 ASP 26 3HB ASP 26 -0.052 4.143 -25.804 207 H LYS 27 H LYS 27 0.263 4.246 -30.301 208 HA LYS 27 HA LYS 27 2.030 6.412 -29.949 209 HB2 LYS 27 2HB LYS 27 0.709 5.063 -32.198 210 HB3 LYS 27 3HB LYS 27 1.041 6.766 -32.482 211 HG2 LYS 27 2HG LYS 27 3.226 5.095 -31.369 212 HG3 LYS 27 3HG LYS 27 2.792 4.879 -33.067 213 HD2 LYS 27 2HD LYS 27 2.904 7.526 -33.049 214 HD3 LYS 27 3HD LYS 27 3.987 7.228 -31.688 215 HE2 LYS 27 2HE LYS 27 5.609 6.375 -33.001 216 HE3 LYS 27 3HE LYS 27 4.463 5.561 -34.065 217 HZ1 LYS 27 3HZ LYS 27 5.545 8.275 -34.226 218 HZ2 LYS 27 1HZ LYS 27 3.962 8.026 -34.769 219 HZ3 LYS 27 2HZ LYS 27 5.239 7.160 -35.461 220 H LEU 28 H LEU 28 -1.447 6.231 -30.331 221 HA LEU 28 HA LEU 28 -2.073 8.832 -31.012 222 HB2 LEU 28 2HB LEU 28 -3.760 7.130 -30.898 223 HB3 LEU 28 3HB LEU 28 -3.505 6.931 -29.165 224 HG LEU 28 HG LEU 28 -4.231 9.499 -29.177 225 HD11 LEU 28 1HD1 LEU 28 -5.949 8.413 -31.377 226 HD12 LEU 28 2HD1 LEU 28 -4.464 9.297 -31.730 227 HD13 LEU 28 3HD1 LEU 28 -5.762 10.079 -30.827 228 HD21 LEU 28 3HD2 LEU 28 -6.628 7.917 -29.379 229 HD22 LEU 28 1HD2 LEU 28 -5.885 8.654 -27.959 230 HD23 LEU 28 2HD2 LEU 28 -5.380 7.048 -28.484 231 H GLY 29 H GLY 29 -0.958 7.559 -27.962 232 HA2 GLY 29 2HA GLY 29 -0.111 8.684 -26.133 233 HA3 GLY 29 3HA GLY 29 -0.370 10.192 -26.998 234 H MET 30 H MET 30 -3.074 8.094 -26.710 235 HA MET 30 HA MET 30 -4.058 8.936 -24.204 236 HB2 MET 30 2HB MET 30 -4.140 11.071 -25.676 237 HB3 MET 30 3HB MET 30 -5.504 10.289 -26.463 238 HG2 MET 30 2HG MET 30 -6.592 10.093 -24.235 239 HG3 MET 30 3HG MET 30 -5.270 11.045 -23.563 240 HE1 MET 30 3HE MET 30 -8.890 11.733 -25.644 241 HE2 MET 30 1HE MET 30 -8.459 10.949 -24.124 242 HE3 MET 30 2HE MET 30 -8.954 12.642 -24.133 243 H PHE 31 H PHE 31 -3.892 6.498 -25.492 244 HA PHE 31 HA PHE 31 -6.689 5.887 -26.178 245 HB2 PHE 31 2HB PHE 31 -4.601 5.362 -27.739 246 HB3 PHE 31 3HB PHE 31 -4.501 3.933 -26.715 247 HD1 PHE 31 HD1 PHE 31 -7.168 5.869 -28.475 248 HD2 PHE 31 HD2 PHE 31 -5.513 2.059 -27.545 249 HE1 PHE 31 HE1 PHE 31 -8.912 4.784 -29.829 250 HE2 PHE 31 HE2 PHE 31 -7.253 0.968 -28.898 251 HZ PHE 31 HZ PHE 31 -8.956 2.331 -30.043 252 H HIS 32 H HIS 32 -7.824 4.923 -24.642 253 HA HIS 32 HA HIS 32 -7.044 2.620 -23.272 254 HB2 HIS 32 2HB HIS 32 -6.951 3.702 -20.933 255 HB3 HIS 32 3HB HIS 32 -5.512 3.796 -21.943 256 HD1 HIS 32 HD1 HIS 32 -8.204 5.896 -20.440 257 HD2 HIS 32 HD2 HIS 32 -4.846 6.372 -22.840 258 HE1 HIS 32 HE1 HIS 32 -7.770 8.372 -20.506 259 H HIS 33 H HIS 33 -9.305 3.363 -24.620 260 HA HIS 33 HA HIS 33 -11.318 2.990 -22.574 261 HB2 HIS 33 2HB HIS 33 -11.058 5.502 -24.153 262 HB3 HIS 33 3HB HIS 33 -12.680 4.874 -23.880 263 HD1 HIS 33 HD1 HIS 33 -13.582 4.927 -21.461 264 HD2 HIS 33 HD2 HIS 33 -9.768 6.519 -21.885 265 HE1 HIS 33 HE1 HIS 33 -13.115 6.138 -19.306 266 HA PRO 34 HA PRO 34 -13.275 0.548 -25.647 267 HB2 PRO 34 2HB PRO 34 -15.908 0.934 -25.108 268 HB3 PRO 34 3HB PRO 34 -14.843 -0.015 -24.065 269 HG2 PRO 34 2HG PRO 34 -15.752 2.821 -23.765 270 HG3 PRO 34 3HG PRO 34 -15.619 1.553 -22.533 271 HD2 PRO 34 2HD PRO 34 -13.753 3.492 -22.836 272 HD3 PRO 34 3HD PRO 34 -13.346 1.852 -22.290 273 H VAL 35 H VAL 35 -14.114 0.640 -27.698 274 HA VAL 35 HA VAL 35 -14.299 3.236 -28.914 275 HB VAL 35 HB VAL 35 -14.906 0.569 -30.192 276 HG11 VAL 35 1HG1 VAL 35 -15.494 1.924 -31.875 277 HG12 VAL 35 2HG1 VAL 35 -14.722 3.330 -31.139 278 HG13 VAL 35 3HG1 VAL 35 -13.762 2.185 -32.078 279 HG21 VAL 35 3HG2 VAL 35 -12.266 1.997 -29.890 280 HG22 VAL 35 1HG2 VAL 35 -12.711 0.432 -29.208 281 HG23 VAL 35 2HG2 VAL 35 -12.545 0.619 -30.954 282 H SER 36 H SER 36 -16.080 4.198 -29.861 283 HA SER 36 HA SER 36 -18.613 3.560 -28.661 284 HB2 SER 36 2HB SER 36 -17.770 5.905 -29.100 285 HB3 SER 36 3HB SER 36 -18.077 5.615 -30.812 286 HG SER 36 HG SER 36 -19.888 5.898 -28.695 287 H ALA 37 H ALA 37 -20.430 2.751 -29.626 288 HA ALA 37 HA ALA 37 -20.153 0.936 -31.731 289 HB1 ALA 37 1HB ALA 37 -22.828 2.110 -31.170 290 HB2 ALA 37 2HB ALA 37 -22.358 0.427 -31.407 291 HB3 ALA 37 3HB ALA 37 -22.005 1.234 -29.880 292 H GLU 38 H GLU 38 -21.118 4.312 -31.713 293 HA GLU 38 HA GLU 38 -22.266 4.576 -34.206 294 HB2 GLU 38 2HB GLU 38 -21.533 6.911 -34.157 295 HB3 GLU 38 3HB GLU 38 -22.147 6.406 -32.589 296 HG2 GLU 38 2HG GLU 38 -19.677 5.942 -32.020 297 HG3 GLU 38 3HG GLU 38 -19.329 6.957 -33.419 298 H GLU 39 H GLU 39 -18.845 4.431 -33.357 299 HA GLU 39 HA GLU 39 -18.071 4.728 -36.151 300 HB2 GLU 39 2HB GLU 39 -16.843 5.826 -34.197 301 HB3 GLU 39 3HB GLU 39 -16.229 4.222 -33.822 302 HG2 GLU 39 2HG GLU 39 -15.172 4.089 -36.001 303 HG3 GLU 39 3HG GLU 39 -15.829 5.667 -36.431 304 H LEU 40 H LEU 40 -17.984 2.324 -33.563 305 HA LEU 40 HA LEU 40 -17.414 0.273 -35.598 306 HB2 LEU 40 2HB LEU 40 -16.435 0.392 -32.751 307 HB3 LEU 40 3HB LEU 40 -16.261 -1.008 -33.807 308 HG LEU 40 HG LEU 40 -14.956 1.691 -34.128 309 HD11 LEU 40 1HD1 LEU 40 -13.391 -0.797 -34.076 310 HD12 LEU 40 2HD1 LEU 40 -14.181 -0.367 -32.560 311 HD13 LEU 40 3HD1 LEU 40 -13.070 0.767 -33.327 312 HD21 LEU 40 3HD2 LEU 40 -15.115 -0.664 -35.986 313 HD22 LEU 40 1HD2 LEU 40 -13.792 0.501 -36.057 314 HD23 LEU 40 2HD2 LEU 40 -15.452 1.034 -36.326 315 HA PRO 41 HA PRO 41 -21.471 -0.666 -33.595 316 HB2 PRO 41 2HB PRO 41 -22.674 -1.452 -35.899 317 HB3 PRO 41 3HB PRO 41 -22.604 0.236 -35.379 318 HG2 PRO 41 2HG PRO 41 -20.890 -1.207 -37.365 319 HG3 PRO 41 3HG PRO 41 -21.602 0.414 -37.470 320 HD2 PRO 41 2HD PRO 41 -19.010 0.001 -36.803 321 HD3 PRO 41 3HD PRO 41 -19.957 1.358 -36.160 322 H ASP 42 H ASP 42 -19.166 -2.390 -35.480 323 HA ASP 42 HA ASP 42 -20.370 -4.955 -34.676 324 HB2 ASP 42 2HB ASP 42 -19.443 -5.980 -36.564 325 HB3 ASP 42 3HB ASP 42 -19.962 -4.410 -37.171 326 H TYR 43 H TYR 43 -18.405 -2.966 -33.340 327 HA TYR 43 HA TYR 43 -15.874 -4.042 -33.107 328 HB2 TYR 43 2HB TYR 43 -15.642 -2.804 -31.102 329 HB3 TYR 43 3HB TYR 43 -16.777 -1.888 -32.087 330 HD1 TYR 43 HD1 TYR 43 -19.336 -2.620 -31.671 331 HD2 TYR 43 HD2 TYR 43 -16.159 -3.039 -28.872 332 HE1 TYR 43 HE1 TYR 43 -20.969 -2.658 -29.833 333 HE2 TYR 43 HE2 TYR 43 -17.784 -3.078 -27.025 334 HH TYR 43 HH TYR 43 -21.044 -2.206 -27.427 335 H HIS 44 H HIS 44 -18.867 -5.079 -31.604 336 HA HIS 44 HA HIS 44 -17.749 -6.838 -29.699 337 HB2 HIS 44 2HB HIS 44 -20.213 -5.928 -30.038 338 HB3 HIS 44 3HB HIS 44 -20.401 -7.431 -30.937 339 HD1 HIS 44 HD1 HIS 44 -21.030 -9.403 -29.579 340 HD2 HIS 44 HD2 HIS 44 -19.235 -6.446 -27.279 341 HE1 HIS 44 HE1 HIS 44 -21.162 -10.224 -27.206 342 H THR 45 H THR 45 -18.627 -7.214 -33.079 343 HA THR 45 HA THR 45 -18.091 -10.064 -33.048 344 HB THR 45 HB THR 45 -18.376 -8.644 -35.636 345 HG1 THR 45 HG1 THR 45 -20.595 -8.985 -33.881 346 HG21 THR 45 3HG2 THR 45 -20.076 -10.584 -35.859 347 HG22 THR 45 1HG2 THR 45 -19.328 -11.198 -34.386 348 HG23 THR 45 2HG2 THR 45 -18.355 -10.965 -35.838 349 H VAL 46 H VAL 46 -16.313 -7.211 -33.422 350 HA VAL 46 HA VAL 46 -14.247 -8.474 -35.063 351 HB VAL 46 HB VAL 46 -14.457 -5.642 -34.030 352 HG11 VAL 46 1HG1 VAL 46 -12.184 -5.908 -34.283 353 HG12 VAL 46 2HG1 VAL 46 -12.357 -7.078 -35.593 354 HG13 VAL 46 3HG1 VAL 46 -12.651 -5.365 -35.894 355 HG21 VAL 46 3HG2 VAL 46 -14.515 -6.109 -36.913 356 HG22 VAL 46 1HG2 VAL 46 -15.885 -6.814 -36.053 357 HG23 VAL 46 2HG2 VAL 46 -15.545 -5.089 -35.908 358 H ILE 47 H ILE 47 -14.949 -7.621 -31.792 359 HA ILE 47 HA ILE 47 -12.325 -8.665 -30.989 360 HB ILE 47 HB ILE 47 -13.636 -6.216 -29.803 361 HG12 ILE 47 2HG1 ILE 47 -10.927 -6.401 -31.113 362 HG13 ILE 47 3HG1 ILE 47 -12.381 -6.028 -32.032 363 HG21 ILE 47 1HG2 ILE 47 -11.839 -8.108 -28.656 364 HG22 ILE 47 2HG2 ILE 47 -10.999 -6.572 -28.861 365 HG23 ILE 47 3HG2 ILE 47 -12.503 -6.638 -27.944 366 HD11 ILE 47 3HD1 ILE 47 -10.764 -4.326 -30.357 367 HD12 ILE 47 1HD1 ILE 47 -11.995 -3.903 -31.546 368 HD13 ILE 47 2HD1 ILE 47 -12.464 -4.280 -29.888 369 H LYS 48 H LYS 48 -15.513 -7.647 -29.764 370 HA LYS 48 HA LYS 48 -16.974 -8.640 -28.329 371 HB2 LYS 48 2HB LYS 48 -15.978 -10.711 -29.815 372 HB3 LYS 48 3HB LYS 48 -15.598 -11.236 -28.180 373 HG2 LYS 48 2HG LYS 48 -17.891 -11.143 -27.537 374 HG3 LYS 48 3HG LYS 48 -18.341 -10.361 -29.054 375 HD2 LYS 48 2HD LYS 48 -16.955 -12.968 -29.259 376 HD3 LYS 48 3HD LYS 48 -18.604 -12.994 -28.628 377 HE2 LYS 48 2HE LYS 48 -19.256 -11.610 -30.641 378 HE3 LYS 48 3HE LYS 48 -17.649 -11.944 -31.284 379 HZ1 LYS 48 3HZ LYS 48 -19.120 -13.541 -32.188 380 HZ2 LYS 48 1HZ LYS 48 -19.788 -13.904 -30.677 381 HZ3 LYS 48 2HZ LYS 48 -18.195 -14.351 -31.026 382 H ARG 49 H ARG 49 -14.096 -7.697 -27.574 383 HA ARG 49 HA ARG 49 -14.252 -8.658 -24.795 384 HB2 ARG 49 2HB ARG 49 -12.026 -8.790 -26.665 385 HB3 ARG 49 3HB ARG 49 -11.597 -7.938 -25.187 386 HG2 ARG 49 2HG ARG 49 -13.065 -10.451 -24.795 387 HG3 ARG 49 3HG ARG 49 -11.459 -10.615 -25.507 388 HD2 ARG 49 2HD ARG 49 -11.069 -10.743 -23.211 389 HD3 ARG 49 3HD ARG 49 -10.679 -9.071 -23.613 390 HE ARG 49 HE ARG 49 -13.395 -9.375 -22.795 391 HH11 ARG 49 1HH1 ARG 49 -10.126 -9.098 -21.630 392 HH12 ARG 49 2HH1 ARG 49 -10.590 -8.441 -20.096 393 HH21 ARG 49 1HH2 ARG 49 -14.018 -8.510 -20.778 394 HH22 ARG 49 2HH2 ARG 49 -12.804 -8.108 -19.612 395 HA PRO 50 HA PRO 50 -14.722 -4.137 -24.576 396 HB2 PRO 50 2HB PRO 50 -16.033 -4.185 -22.199 397 HB3 PRO 50 3HB PRO 50 -16.840 -4.463 -23.747 398 HG2 PRO 50 2HG PRO 50 -15.885 -6.453 -21.725 399 HG3 PRO 50 3HG PRO 50 -17.406 -6.426 -22.637 400 HD2 PRO 50 2HD PRO 50 -15.315 -7.999 -23.336 401 HD3 PRO 50 3HD PRO 50 -16.431 -7.307 -24.531 402 H VAL 51 H VAL 51 -12.926 -3.089 -24.003 403 HA VAL 51 HA VAL 51 -11.773 -3.637 -21.347 404 HB VAL 51 HB VAL 51 -10.300 -4.558 -23.076 405 HG11 VAL 51 1HG1 VAL 51 -9.818 -1.784 -24.102 406 HG12 VAL 51 2HG1 VAL 51 -9.407 -3.333 -24.842 407 HG13 VAL 51 3HG1 VAL 51 -11.087 -2.798 -24.788 408 HG21 VAL 51 3HG2 VAL 51 -8.353 -3.794 -22.133 409 HG22 VAL 51 1HG2 VAL 51 -8.877 -2.110 -22.151 410 HG23 VAL 51 2HG2 VAL 51 -9.525 -3.223 -20.946 411 H ASP 52 H ASP 52 -11.544 -1.914 -20.071 412 HA ASP 52 HA ASP 52 -11.429 0.757 -21.276 413 HB2 ASP 52 2HB ASP 52 -13.761 0.435 -20.678 414 HB3 ASP 52 3HB ASP 52 -13.306 -0.077 -19.055 415 H LEU 53 H LEU 53 -10.531 2.389 -19.889 416 HA LEU 53 HA LEU 53 -8.280 1.539 -18.454 417 HB2 LEU 53 2HB LEU 53 -8.245 3.696 -19.410 418 HB3 LEU 53 3HB LEU 53 -9.733 4.165 -18.589 419 HG LEU 53 HG LEU 53 -8.570 4.269 -16.468 420 HD11 LEU 53 1HD1 LEU 53 -6.461 2.898 -17.999 421 HD12 LEU 53 2HD1 LEU 53 -6.881 2.790 -16.290 422 HD13 LEU 53 3HD1 LEU 53 -5.912 4.142 -16.875 423 HD21 LEU 53 3HD2 LEU 53 -7.636 6.301 -16.836 424 HD22 LEU 53 1HD2 LEU 53 -8.396 6.089 -18.413 425 HD23 LEU 53 2HD2 LEU 53 -6.680 5.739 -18.208 426 H SER 54 H SER 54 -11.445 2.679 -17.337 427 HA SER 54 HA SER 54 -10.829 2.556 -14.573 428 HB2 SER 54 2HB SER 54 -13.592 2.281 -15.756 429 HB3 SER 54 3HB SER 54 -13.143 2.954 -14.189 430 HG SER 54 HG SER 54 -13.641 4.478 -15.973 431 H SER 55 H SER 55 -12.220 0.260 -16.853 432 HA SER 55 HA SER 55 -13.061 -1.687 -15.023 433 HB2 SER 55 2HB SER 55 -13.846 -1.982 -17.213 434 HB3 SER 55 3HB SER 55 -12.240 -1.787 -17.915 435 HG SER 55 HG SER 55 -12.380 -3.908 -17.946 436 H ILE 56 H ILE 56 -9.988 -1.398 -16.794 437 HA ILE 56 HA ILE 56 -8.776 -3.673 -15.654 438 HB ILE 56 HB ILE 56 -7.491 -1.201 -16.819 439 HG12 ILE 56 2HG1 ILE 56 -8.931 -2.415 -18.396 440 HG13 ILE 56 3HG1 ILE 56 -7.234 -2.573 -18.837 441 HG21 ILE 56 1HG2 ILE 56 -5.491 -2.617 -17.084 442 HG22 ILE 56 2HG2 ILE 56 -5.919 -2.360 -15.393 443 HG23 ILE 56 3HG2 ILE 56 -6.299 -3.894 -16.176 444 HD11 ILE 56 3HD1 ILE 56 -8.905 -4.637 -17.423 445 HD12 ILE 56 1HD1 ILE 56 -8.391 -4.676 -19.110 446 HD13 ILE 56 2HD1 ILE 56 -7.194 -4.799 -17.820 447 H ARG 57 H ARG 57 -8.566 -0.226 -14.811 448 HA ARG 57 HA ARG 57 -6.738 -0.446 -12.717 449 HB2 ARG 57 2HB ARG 57 -7.459 1.694 -13.725 450 HB3 ARG 57 3HB ARG 57 -9.032 1.508 -12.962 451 HG2 ARG 57 2HG ARG 57 -6.626 1.428 -11.226 452 HG3 ARG 57 3HG ARG 57 -7.125 2.984 -11.893 453 HD2 ARG 57 2HD ARG 57 -9.497 2.159 -11.037 454 HD3 ARG 57 3HD ARG 57 -8.493 1.222 -9.931 455 HE ARG 57 HE ARG 57 -7.594 3.873 -9.919 456 HH11 ARG 57 1HH1 ARG 57 -10.364 2.000 -8.948 457 HH12 ARG 57 2HH1 ARG 57 -10.792 3.064 -7.650 458 HH21 ARG 57 1HH2 ARG 57 -8.147 5.281 -8.212 459 HH22 ARG 57 2HH2 ARG 57 -9.531 4.930 -7.232 460 H ASP 58 H ASP 58 -10.247 -0.822 -12.742 461 HA ASP 58 HA ASP 58 -10.500 -1.094 -9.914 462 HB2 ASP 58 2HB ASP 58 -12.383 -0.383 -11.324 463 HB3 ASP 58 3HB ASP 58 -12.384 -1.954 -12.120 464 H GLY 59 H GLY 59 -10.185 -3.357 -12.608 465 HA2 GLY 59 2HA GLY 59 -10.671 -5.726 -11.165 466 HA3 GLY 59 3HA GLY 59 -9.756 -5.611 -12.661 467 H ILE 60 H ILE 60 -7.730 -3.847 -11.640 468 HA ILE 60 HA ILE 60 -5.942 -5.773 -10.588 469 HB ILE 60 HB ILE 60 -5.705 -2.775 -10.827 470 HG12 ILE 60 2HG1 ILE 60 -5.811 -4.026 -12.947 471 HG13 ILE 60 3HG1 ILE 60 -4.225 -3.302 -12.703 472 HG21 ILE 60 1HG2 ILE 60 -3.658 -4.802 -9.949 473 HG22 ILE 60 2HG2 ILE 60 -3.266 -3.160 -10.457 474 HG23 ILE 60 3HG2 ILE 60 -4.270 -3.426 -9.031 475 HD11 ILE 60 3HD1 ILE 60 -3.262 -5.275 -12.924 476 HD12 ILE 60 1HD1 ILE 60 -4.233 -5.936 -11.609 477 HD13 ILE 60 2HD1 ILE 60 -4.842 -5.981 -13.264 478 H GLU 61 H GLU 61 -7.463 -2.904 -9.125 479 HA GLU 61 HA GLU 61 -6.372 -3.312 -6.548 480 HB2 GLU 61 2HB GLU 61 -7.596 -1.479 -5.895 481 HB3 GLU 61 3HB GLU 61 -7.540 -1.219 -7.633 482 HG2 GLU 61 2HG GLU 61 -9.751 -0.858 -7.247 483 HG3 GLU 61 3HG GLU 61 -9.780 -2.588 -7.583 484 H LYS 62 H LYS 62 -9.111 -4.641 -8.200 485 HA LYS 62 HA LYS 62 -10.430 -5.595 -5.827 486 HB2 LYS 62 2HB LYS 62 -10.834 -6.087 -8.772 487 HB3 LYS 62 3HB LYS 62 -11.766 -6.940 -7.548 488 HG2 LYS 62 2HG LYS 62 -11.641 -3.945 -7.634 489 HG3 LYS 62 3HG LYS 62 -12.803 -4.863 -8.594 490 HD2 LYS 62 2HD LYS 62 -12.506 -5.086 -5.600 491 HD3 LYS 62 3HD LYS 62 -13.702 -4.073 -6.412 492 HE2 LYS 62 2HE LYS 62 -13.772 -6.744 -7.470 493 HE3 LYS 62 3HE LYS 62 -13.931 -6.782 -5.715 494 HZ1 LYS 62 3HZ LYS 62 -16.096 -6.561 -6.529 495 HZ2 LYS 62 1HZ LYS 62 -15.657 -5.397 -7.677 496 HZ3 LYS 62 2HZ LYS 62 -15.679 -4.998 -6.033 497 H GLY 63 H GLY 63 -7.916 -6.705 -7.900 498 HA2 GLY 63 2HA GLY 63 -6.453 -8.469 -7.358 499 HA3 GLY 63 3HA GLY 63 -7.679 -9.126 -6.284 500 H THR 64 H THR 64 -8.473 -8.170 -9.534 501 HA THR 64 HA THR 64 -9.771 -10.460 -10.269 502 HB THR 64 HB THR 64 -8.174 -8.672 -12.115 503 HG1 THR 64 HG1 THR 64 -10.929 -8.577 -11.381 504 HG21 THR 64 3HG2 THR 64 -9.832 -11.015 -12.587 505 HG22 THR 64 1HG2 THR 64 -8.752 -10.159 -13.686 506 HG23 THR 64 2HG2 THR 64 -10.408 -9.595 -13.460 507 H TYR 65 H TYR 65 -6.372 -9.689 -11.021 508 HA TYR 65 HA TYR 65 -5.662 -11.971 -12.371 509 HB2 TYR 65 2HB TYR 65 -3.350 -11.586 -11.294 510 HB3 TYR 65 3HB TYR 65 -4.031 -10.291 -12.273 511 HD1 TYR 65 HD2 TYR 65 -3.359 -11.399 -8.818 512 HD2 TYR 65 HD1 TYR 65 -4.576 -8.176 -11.315 513 HE1 TYR 65 HE2 TYR 65 -3.105 -9.846 -6.928 514 HE2 TYR 65 HE1 TYR 65 -4.324 -6.614 -9.432 515 HH TYR 65 HH TYR 65 -3.480 -6.368 -7.344 516 H ALA 66 H ALA 66 -5.650 -14.055 -11.881 517 HA ALA 66 HA ALA 66 -5.847 -14.855 -9.071 518 HB1 ALA 66 1HB ALA 66 -6.753 -16.002 -11.633 519 HB2 ALA 66 2HB ALA 66 -6.226 -17.156 -10.407 520 HB3 ALA 66 3HB ALA 66 -7.521 -16.015 -10.045 521 H THR 67 H THR 67 -3.814 -15.183 -11.901 522 HA THR 67 HA THR 67 -1.516 -15.817 -10.407 523 HB THR 67 HB THR 67 -1.557 -18.186 -11.893 524 HG1 THR 67 HG1 THR 67 -3.863 -17.974 -11.986 525 HG21 THR 67 3HG2 THR 67 -1.700 -17.450 -9.006 526 HG22 THR 67 1HG2 THR 67 -0.426 -18.287 -9.892 527 HG23 THR 67 2HG2 THR 67 -1.908 -19.141 -9.463 528 H ASP 68 H ASP 68 0.181 -16.924 -12.060 529 HA ASP 68 HA ASP 68 0.643 -15.010 -14.050 530 HB2 ASP 68 2HB ASP 68 2.374 -16.482 -12.982 531 HB3 ASP 68 3HB ASP 68 1.779 -17.810 -13.974 532 H VAL 69 H VAL 69 -1.184 -17.952 -14.088 533 HA VAL 69 HA VAL 69 -1.225 -18.324 -16.913 534 HB VAL 69 HB VAL 69 -3.146 -19.320 -14.804 535 HG11 VAL 69 1HG1 VAL 69 -4.174 -19.323 -17.011 536 HG12 VAL 69 2HG1 VAL 69 -2.785 -20.189 -17.671 537 HG13 VAL 69 3HG1 VAL 69 -3.829 -20.970 -16.482 538 HG21 VAL 69 3HG2 VAL 69 -1.126 -20.313 -14.267 539 HG22 VAL 69 1HG2 VAL 69 -1.836 -21.494 -15.368 540 HG23 VAL 69 2HG2 VAL 69 -0.595 -20.383 -15.947 541 H ASP 70 H ASP 70 -3.566 -16.950 -14.611 542 HA ASP 70 HA ASP 70 -5.490 -16.224 -16.535 543 HB2 ASP 70 2HB ASP 70 -5.310 -16.147 -13.768 544 HB3 ASP 70 3HB ASP 70 -5.405 -14.448 -14.224 545 H VAL 71 H VAL 71 -2.803 -14.428 -15.088 546 HA VAL 71 HA VAL 71 -3.358 -11.958 -16.343 547 HB VAL 71 HB VAL 71 -0.759 -13.064 -15.276 548 HG11 VAL 71 1HG1 VAL 71 -1.457 -10.329 -16.314 549 HG12 VAL 71 2HG1 VAL 71 -0.095 -10.621 -15.230 550 HG13 VAL 71 3HG1 VAL 71 -0.138 -11.386 -16.818 551 HG21 VAL 71 3HG2 VAL 71 -1.914 -12.774 -13.358 552 HG22 VAL 71 1HG2 VAL 71 -1.483 -11.080 -13.598 553 HG23 VAL 71 2HG2 VAL 71 -3.070 -11.666 -14.096 554 H GLN 72 H GLN 72 -1.275 -14.680 -17.240 555 HA GLN 72 HA GLN 72 -0.096 -13.513 -19.502 556 HB2 GLN 72 2HB GLN 72 0.861 -15.505 -18.602 557 HB3 GLN 72 3HB GLN 72 -0.647 -16.390 -18.786 558 HG2 GLN 72 2HG GLN 72 0.564 -15.264 -21.238 559 HG3 GLN 72 3HG GLN 72 1.384 -16.629 -20.482 560 HE21 GLN 72 1HE2 GLN 72 0.069 -16.542 -23.041 561 HE22 GLN 72 2HE2 GLN 72 -1.193 -17.720 -22.995 562 H ASN 73 H ASN 73 -2.989 -15.555 -19.199 563 HA ASN 73 HA ASN 73 -3.625 -15.616 -21.939 564 HB2 ASN 73 2HB ASN 73 -4.741 -17.235 -20.703 565 HB3 ASN 73 3HB ASN 73 -5.159 -16.111 -19.414 566 HD21 ASN 73 1HD2 ASN 73 -6.977 -14.852 -19.594 567 HD22 ASN 73 2HD2 ASN 73 -8.171 -15.098 -20.819 568 H ASP 74 H ASP 74 -4.599 -13.425 -19.338 569 HA ASP 74 HA ASP 74 -6.489 -11.930 -20.761 570 HB2 ASP 74 2HB ASP 74 -5.926 -11.892 -18.244 571 HB3 ASP 74 3HB ASP 74 -4.680 -10.725 -18.679 572 H VAL 75 H VAL 75 -3.011 -11.345 -20.289 573 HA VAL 75 HA VAL 75 -2.862 -8.985 -21.803 574 HB VAL 75 HB VAL 75 -0.712 -11.052 -21.316 575 HG11 VAL 75 1HG1 VAL 75 0.632 -8.754 -21.600 576 HG12 VAL 75 2HG1 VAL 75 0.307 -9.851 -22.944 577 HG13 VAL 75 3HG1 VAL 75 -0.716 -8.436 -22.692 578 HG21 VAL 75 3HG2 VAL 75 -1.984 -9.128 -19.602 579 HG22 VAL 75 1HG2 VAL 75 -0.759 -10.336 -19.213 580 HG23 VAL 75 2HG2 VAL 75 -0.273 -8.742 -19.790 581 H ALA 76 H ALA 76 -2.433 -12.380 -22.716 582 HA ALA 76 HA ALA 76 -1.590 -11.978 -25.355 583 HB1 ALA 76 1HB ALA 76 -2.817 -14.224 -23.855 584 HB2 ALA 76 2HB ALA 76 -2.822 -14.312 -25.617 585 HB3 ALA 76 3HB ALA 76 -1.297 -14.151 -24.746 586 H ARG 77 H ARG 77 -4.835 -12.220 -23.971 587 HA ARG 77 HA ARG 77 -6.205 -12.163 -26.461 588 HB2 ARG 77 2HB ARG 77 -6.951 -12.740 -23.927 589 HB3 ARG 77 3HB ARG 77 -7.586 -11.106 -24.068 590 HG2 ARG 77 2HG ARG 77 -9.390 -12.103 -24.923 591 HG3 ARG 77 3HG ARG 77 -8.431 -12.221 -26.401 592 HD2 ARG 77 2HD ARG 77 -7.567 -14.434 -25.324 593 HD3 ARG 77 3HD ARG 77 -9.034 -14.313 -24.353 594 HE ARG 77 HE ARG 77 -9.614 -13.998 -27.112 595 HH11 ARG 77 1HH1 ARG 77 -8.816 -16.392 -24.714 596 HH12 ARG 77 2HH1 ARG 77 -9.614 -17.684 -25.548 597 HH21 ARG 77 1HH2 ARG 77 -10.668 -15.690 -28.221 598 HH22 ARG 77 2HH2 ARG 77 -10.667 -17.283 -27.544 599 H MET 78 H MET 78 -5.167 -9.695 -24.175 600 HA MET 78 HA MET 78 -6.583 -7.529 -25.289 601 HB2 MET 78 2HB MET 78 -3.961 -7.532 -23.783 602 HB3 MET 78 3HB MET 78 -4.949 -6.112 -24.097 603 HG2 MET 78 2HG MET 78 -6.514 -8.179 -22.854 604 HG3 MET 78 3HG MET 78 -5.075 -7.822 -21.901 605 HE1 MET 78 3HE MET 78 -7.738 -6.361 -19.985 606 HE2 MET 78 1HE MET 78 -6.292 -7.363 -20.104 607 HE3 MET 78 2HE MET 78 -6.150 -5.657 -19.679 608 H ILE 79 H ILE 79 -3.264 -8.684 -25.831 609 HA ILE 79 HA ILE 79 -2.608 -6.715 -27.759 610 HB ILE 79 HB ILE 79 -0.723 -8.204 -28.355 611 HG12 ILE 79 2HG1 ILE 79 -2.074 -10.078 -26.406 612 HG13 ILE 79 3HG1 ILE 79 -1.760 -10.370 -28.113 613 HG21 ILE 79 1HG2 ILE 79 -1.100 -7.941 -25.377 614 HG22 ILE 79 2HG2 ILE 79 0.429 -8.035 -26.248 615 HG23 ILE 79 3HG2 ILE 79 -0.614 -6.627 -26.448 616 HD11 ILE 79 3HD1 ILE 79 0.736 -9.832 -27.071 617 HD12 ILE 79 1HD1 ILE 79 -0.055 -10.781 -25.813 618 HD13 ILE 79 2HD1 ILE 79 0.075 -11.422 -27.452 619 H THR 80 H THR 80 -3.965 -9.960 -27.978 620 HA THR 80 HA THR 80 -3.765 -10.301 -30.755 621 HB THR 80 HB THR 80 -5.808 -11.417 -28.826 622 HG1 THR 80 HG1 THR 80 -3.383 -12.453 -29.910 623 HG21 THR 80 3HG2 THR 80 -5.341 -11.882 -31.740 624 HG22 THR 80 1HG2 THR 80 -6.860 -11.769 -30.852 625 HG23 THR 80 2HG2 THR 80 -5.870 -13.222 -30.723 626 H ASN 81 H ASN 81 -6.396 -8.972 -28.769 627 HA ASN 81 HA ASN 81 -8.117 -8.439 -30.966 628 HB2 ASN 81 2HB ASN 81 -9.603 -7.916 -29.363 629 HB3 ASN 81 3HB ASN 81 -8.370 -8.418 -28.210 630 HD21 ASN 81 1HD2 ASN 81 -7.565 -6.961 -26.846 631 HD22 ASN 81 2HD2 ASN 81 -7.896 -5.266 -26.894 632 H ALA 82 H ALA 82 -5.694 -6.559 -29.238 633 HA ALA 82 HA ALA 82 -6.280 -4.045 -30.365 634 HB1 ALA 82 1HB ALA 82 -4.016 -5.243 -28.895 635 HB2 ALA 82 2HB ALA 82 -3.657 -3.812 -29.862 636 HB3 ALA 82 3HB ALA 82 -4.893 -3.740 -28.606 637 H LEU 83 H LEU 83 -4.247 -6.712 -31.448 638 HA LEU 83 HA LEU 83 -3.144 -5.258 -33.663 639 HB2 LEU 83 2HB LEU 83 -2.978 -8.009 -32.593 640 HB3 LEU 83 3HB LEU 83 -2.672 -7.816 -34.318 641 HG LEU 83 HG LEU 83 -0.791 -6.423 -33.915 642 HD11 LEU 83 1HD1 LEU 83 -1.704 -5.081 -32.104 643 HD12 LEU 83 2HD1 LEU 83 -0.117 -5.717 -31.672 644 HD13 LEU 83 3HD1 LEU 83 -1.574 -6.453 -31.004 645 HD21 LEU 83 3HD2 LEU 83 -0.692 -8.633 -31.867 646 HD22 LEU 83 1HD2 LEU 83 0.672 -7.888 -32.700 647 HD23 LEU 83 2HD2 LEU 83 -0.483 -8.868 -33.603 648 H GLU 84 H GLU 84 -5.755 -7.582 -33.194 649 HA GLU 84 HA GLU 84 -6.354 -7.965 -35.931 650 HB2 GLU 84 2HB GLU 84 -7.203 -9.589 -34.452 651 HB3 GLU 84 3HB GLU 84 -7.910 -8.378 -33.392 652 HG2 GLU 84 2HG GLU 84 -9.582 -7.852 -35.071 653 HG3 GLU 84 3HG GLU 84 -8.857 -9.017 -36.177 654 H TYR 85 H TYR 85 -7.345 -5.578 -33.567 655 HA TYR 85 HA TYR 85 -9.368 -4.440 -35.285 656 HB2 TYR 85 2HB TYR 85 -9.846 -4.277 -32.973 657 HB3 TYR 85 3HB TYR 85 -8.237 -3.668 -32.601 658 HD1 TYR 85 HD1 TYR 85 -10.635 -2.554 -35.225 659 HD2 TYR 85 HD2 TYR 85 -8.597 -1.587 -31.618 660 HE1 TYR 85 HE1 TYR 85 -11.480 -0.249 -35.373 661 HE2 TYR 85 HE2 TYR 85 -9.438 0.720 -31.755 662 HH TYR 85 HH TYR 85 -10.791 2.126 -32.831 663 H ASN 86 H ASN 86 -6.081 -3.662 -34.262 664 HA ASN 86 HA ASN 86 -6.025 -1.171 -35.702 665 HB2 ASN 86 2HB ASN 86 -4.662 -1.868 -33.588 666 HB3 ASN 86 3HB ASN 86 -3.565 -2.606 -34.752 667 HD21 ASN 86 1HD2 ASN 86 -4.637 0.287 -33.300 668 HD22 ASN 86 2HD2 ASN 86 -3.591 1.371 -34.148 669 H ALA 87 H ALA 87 -5.786 -4.385 -36.591 670 HA ALA 87 HA ALA 87 -3.774 -4.258 -38.587 671 HB1 ALA 87 1HB ALA 87 -5.249 -6.284 -39.471 672 HB2 ALA 87 2HB ALA 87 -4.190 -6.431 -38.069 673 HB3 ALA 87 3HB ALA 87 -5.918 -6.164 -37.844 674 H LYS 88 H LYS 88 -3.988 -2.622 -40.034 675 HA LYS 88 HA LYS 88 -6.444 -2.610 -41.664 676 HB2 LYS 88 2HB LYS 88 -6.306 -0.578 -40.315 677 HB3 LYS 88 3HB LYS 88 -4.687 -0.263 -40.924 678 HG2 LYS 88 2HG LYS 88 -5.733 -0.172 -43.234 679 HG3 LYS 88 3HG LYS 88 -7.292 -0.125 -42.407 680 HD2 LYS 88 2HD LYS 88 -7.019 2.011 -41.765 681 HD3 LYS 88 3HD LYS 88 -5.316 1.774 -41.367 682 HE2 LYS 88 2HE LYS 88 -5.361 3.311 -43.160 683 HE3 LYS 88 3HE LYS 88 -4.868 1.767 -43.853 684 HZ1 LYS 88 3HZ LYS 88 -7.641 1.874 -43.985 685 HZ2 LYS 88 1HZ LYS 88 -6.541 1.947 -45.269 686 HZ3 LYS 88 2HZ LYS 88 -7.078 3.372 -44.534 687 H GLY 89 H GLY 89 -2.960 -1.897 -41.659 688 HA2 GLY 89 2HA GLY 89 -1.805 -3.194 -43.522 689 HA3 GLY 89 3HA GLY 89 -2.947 -2.369 -44.572 690 H SER 90 H SER 90 -0.531 -1.626 -42.060 691 HA SER 90 HA SER 90 0.936 0.112 -43.748 692 HB2 SER 90 2HB SER 90 -1.162 1.479 -43.222 693 HB3 SER 90 3HB SER 90 -0.562 1.562 -41.565 694 HG SER 90 HG SER 90 0.069 3.353 -42.919 695 H THR 91 H THR 91 2.176 1.759 -41.985 696 HA THR 91 HA THR 91 4.032 0.129 -40.727 697 HB THR 91 HB THR 91 3.708 2.717 -39.396 698 HG1 THR 91 HG1 THR 91 3.699 3.976 -41.137 699 HG21 THR 91 3HG2 THR 91 6.008 2.199 -41.155 700 HG22 THR 91 1HG2 THR 91 5.753 0.998 -39.890 701 HG23 THR 91 2HG2 THR 91 5.963 2.696 -39.464 702 H TRP 92 H TRP 92 0.975 1.325 -39.569 703 HA TRP 92 HA TRP 92 1.375 0.950 -36.807 704 HB2 TRP 92 2HB TRP 92 -0.837 1.556 -38.574 705 HB3 TRP 92 3HB TRP 92 -1.333 0.432 -37.312 706 HD1 TRP 92 HD1 TRP 92 -2.674 2.004 -35.750 707 HE1 TRP 92 HE1 TRP 92 -2.111 4.118 -34.394 708 HE3 TRP 92 HE3 TRP 92 1.974 2.969 -37.646 709 HZ2 TRP 92 HZ2 TRP 92 0.022 5.952 -34.160 710 HZ3 TRP 92 HZ3 TRP 92 3.209 4.923 -36.803 711 HH2 TRP 92 HH2 TRP 92 2.251 6.383 -35.096 712 H TYR 93 H TYR 93 0.306 -1.228 -39.364 713 HA TYR 93 HA TYR 93 -0.484 -3.368 -37.708 714 HB2 TYR 93 2HB TYR 93 -1.099 -3.174 -40.097 715 HB3 TYR 93 3HB TYR 93 0.577 -3.480 -40.540 716 HD1 TYR 93 HD1 TYR 93 -1.844 -5.085 -38.177 717 HD2 TYR 93 HD2 TYR 93 0.857 -5.584 -41.426 718 HE1 TYR 93 HE1 TYR 93 -2.291 -7.503 -38.169 719 HE2 TYR 93 HE2 TYR 93 0.417 -8.004 -41.428 720 HH TYR 93 HH TYR 93 -0.816 -9.652 -40.575 721 H GLN 94 H GLN 94 2.599 -2.581 -39.262 722 HA GLN 94 HA GLN 94 3.950 -4.930 -38.431 723 HB2 GLN 94 2HB GLN 94 4.543 -2.635 -39.984 724 HB3 GLN 94 3HB GLN 94 5.776 -2.745 -38.734 725 HG2 GLN 94 2HG GLN 94 6.362 -4.962 -39.422 726 HG3 GLN 94 3HG GLN 94 5.018 -5.010 -40.561 727 HE21 GLN 94 1HE2 GLN 94 8.267 -4.441 -40.211 728 HE22 GLN 94 2HE2 GLN 94 8.560 -3.598 -41.689 729 H GLU 95 H GLU 95 3.551 -1.731 -37.015 730 HA GLU 95 HA GLU 95 5.440 -2.032 -34.936 731 HB2 GLU 95 2HB GLU 95 3.844 0.012 -35.853 732 HB3 GLU 95 3HB GLU 95 3.116 -0.365 -34.297 733 HG2 GLU 95 2HG GLU 95 5.994 0.363 -34.793 734 HG3 GLU 95 3HG GLU 95 4.760 1.388 -34.061 735 H ALA 96 H ALA 96 1.952 -2.636 -35.097 736 HA ALA 96 HA ALA 96 1.662 -3.393 -32.381 737 HB1 ALA 96 1HB ALA 96 -0.199 -4.571 -34.340 738 HB2 ALA 96 2HB ALA 96 -0.525 -3.660 -32.865 739 HB3 ALA 96 3HB ALA 96 -0.082 -2.811 -34.346 740 H MET 97 H MET 97 2.207 -5.232 -35.359 741 HA MET 97 HA MET 97 2.056 -7.788 -34.122 742 HB2 MET 97 2HB MET 97 2.639 -6.717 -36.773 743 HB3 MET 97 3HB MET 97 3.626 -8.118 -36.380 744 HG2 MET 97 2HG MET 97 0.953 -8.671 -35.603 745 HG3 MET 97 3HG MET 97 0.937 -8.036 -37.246 746 HE1 MET 97 3HE MET 97 3.573 -10.706 -35.356 747 HE2 MET 97 1HE MET 97 1.905 -10.593 -34.791 748 HE3 MET 97 2HE MET 97 2.432 -12.005 -35.708 749 H SER 98 H SER 98 4.672 -5.535 -34.795 750 HA SER 98 HA SER 98 6.794 -7.305 -34.148 751 HB2 SER 98 2HB SER 98 7.231 -5.329 -35.482 752 HB3 SER 98 3HB SER 98 6.673 -4.280 -34.178 753 HG SER 98 HG SER 98 9.043 -4.655 -34.441 754 H PHE 99 H PHE 99 4.981 -4.900 -32.292 755 HA PHE 99 HA PHE 99 6.511 -5.164 -29.916 756 HB2 PHE 99 2HB PHE 99 4.196 -3.679 -30.799 757 HB3 PHE 99 3HB PHE 99 3.929 -4.336 -29.187 758 HD1 PHE 99 HD1 PHE 99 6.416 -4.178 -27.842 759 HD2 PHE 99 HD2 PHE 99 4.763 -1.464 -30.674 760 HE1 PHE 99 HE1 PHE 99 7.760 -2.357 -26.876 761 HE2 PHE 99 HE2 PHE 99 6.104 0.361 -29.713 762 HZ PHE 99 HZ PHE 99 7.606 -0.084 -27.813 763 H ARG 100 H ARG 100 3.428 -6.566 -30.977 764 HA ARG 100 HA ARG 100 2.772 -7.958 -28.664 765 HB2 ARG 100 2HB ARG 100 1.240 -7.714 -30.557 766 HB3 ARG 100 3HB ARG 100 2.267 -8.753 -31.537 767 HG2 ARG 100 2HG ARG 100 1.592 -10.114 -29.119 768 HG3 ARG 100 3HG ARG 100 0.123 -9.493 -29.875 769 HD2 ARG 100 2HD ARG 100 0.323 -11.522 -30.928 770 HD3 ARG 100 3HD ARG 100 1.194 -10.479 -32.052 771 HE ARG 100 HE ARG 100 3.009 -11.503 -30.176 772 HH11 ARG 100 1HH1 ARG 100 1.026 -12.568 -32.832 773 HH12 ARG 100 2HH1 ARG 100 2.076 -13.878 -33.261 774 HH21 ARG 100 1HH2 ARG 100 4.400 -13.224 -30.732 775 HH22 ARG 100 2HH2 ARG 100 3.995 -14.250 -32.066 776 H LYS 101 H LYS 101 5.213 -8.598 -31.026 777 HA LYS 101 HA LYS 101 5.573 -11.364 -30.516 778 HB2 LYS 101 2HB LYS 101 6.646 -9.476 -32.271 779 HB3 LYS 101 3HB LYS 101 8.012 -9.996 -31.293 780 HG2 LYS 101 2HG LYS 101 8.157 -11.907 -32.401 781 HG3 LYS 101 3HG LYS 101 6.453 -12.266 -32.113 782 HD2 LYS 101 2HD LYS 101 6.556 -12.176 -34.425 783 HD3 LYS 101 3HD LYS 101 6.036 -10.541 -34.010 784 HE2 LYS 101 2HE LYS 101 8.247 -9.689 -34.305 785 HE3 LYS 101 3HE LYS 101 8.913 -11.314 -34.460 786 HZ1 LYS 101 3HZ LYS 101 7.368 -9.748 -36.404 787 HZ2 LYS 101 1HZ LYS 101 7.266 -11.436 -36.452 788 HZ3 LYS 101 2HZ LYS 101 8.764 -10.673 -36.636 789 H THR 102 H THR 102 6.531 -8.499 -28.849 790 HA THR 102 HA THR 102 8.242 -10.103 -27.062 791 HB THR 102 HB THR 102 9.453 -8.275 -28.207 792 HG1 THR 102 HG1 THR 102 10.550 -8.225 -26.408 793 HG21 THR 102 3HG2 THR 102 7.691 -6.661 -28.501 794 HG22 THR 102 1HG2 THR 102 8.955 -5.934 -27.510 795 HG23 THR 102 2HG2 THR 102 7.471 -6.519 -26.757 796 H TYR 103 H TYR 103 5.291 -8.555 -27.321 797 HA TYR 103 HA TYR 103 4.988 -7.425 -24.752 798 HB2 TYR 103 2HB TYR 103 3.501 -7.220 -26.896 799 HB3 TYR 103 3HB TYR 103 2.680 -8.631 -26.238 800 HD1 TYR 103 HD2 TYR 103 2.330 -8.274 -23.500 801 HD2 TYR 103 HD1 TYR 103 2.387 -5.252 -26.494 802 HE1 TYR 103 HE2 TYR 103 0.986 -6.816 -22.045 803 HE2 TYR 103 HE1 TYR 103 1.044 -3.785 -25.047 804 HH TYR 103 HH TYR 103 -0.164 -3.662 -23.162 805 H LEU 104 H LEU 104 3.905 -10.568 -26.039 806 HA LEU 104 HA LEU 104 3.034 -11.532 -23.507 807 HB2 LEU 104 2HB LEU 104 3.023 -13.757 -24.702 808 HB3 LEU 104 3HB LEU 104 2.007 -12.489 -25.385 809 HG LEU 104 HG LEU 104 4.525 -12.373 -26.688 810 HD11 LEU 104 1HD1 LEU 104 4.658 -14.589 -27.676 811 HD12 LEU 104 2HD1 LEU 104 3.333 -15.143 -26.653 812 HD13 LEU 104 3HD1 LEU 104 4.871 -14.675 -25.927 813 HD21 LEU 104 3HD2 LEU 104 2.304 -11.705 -27.559 814 HD22 LEU 104 1HD2 LEU 104 1.876 -13.411 -27.687 815 HD23 LEU 104 2HD2 LEU 104 3.196 -12.758 -28.658 816 H ASP 105 H ASP 105 5.960 -12.006 -25.442 817 HA ASP 105 HA ASP 105 7.209 -13.947 -23.893 818 HB2 ASP 105 2HB ASP 105 8.248 -11.755 -25.662 819 HB3 ASP 105 3HB ASP 105 9.366 -12.775 -24.760 820 H LEU 106 H LEU 106 7.450 -10.407 -23.634 821 HA LEU 106 HA LEU 106 9.164 -10.431 -21.379 822 HB2 LEU 106 2HB LEU 106 7.319 -8.316 -22.469 823 HB3 LEU 106 3HB LEU 106 8.436 -8.047 -21.133 824 HG LEU 106 HG LEU 106 9.323 -8.891 -23.886 825 HD11 LEU 106 1HD1 LEU 106 9.208 -6.110 -22.728 826 HD12 LEU 106 2HD1 LEU 106 8.170 -6.734 -24.010 827 HD13 LEU 106 3HD1 LEU 106 9.904 -6.567 -24.283 828 HD21 LEU 106 3HD2 LEU 106 11.045 -9.386 -22.416 829 HD22 LEU 106 1HD2 LEU 106 10.690 -8.007 -21.374 830 HD23 LEU 106 2HD2 LEU 106 11.449 -7.752 -22.946 831 H ALA 107 H ALA 107 5.741 -10.746 -21.766 832 HA ALA 107 HA ALA 107 5.341 -10.454 -18.867 833 HB1 ALA 107 1HB ALA 107 3.940 -9.203 -20.700 834 HB2 ALA 107 2HB ALA 107 3.059 -10.730 -20.762 835 HB3 ALA 107 3HB ALA 107 3.166 -9.835 -19.246 836 H ARG 108 H ARG 108 6.520 -12.644 -18.915 837 HA ARG 108 HA ARG 108 4.720 -14.658 -18.212 838 HB2 ARG 108 2HB ARG 108 5.005 -14.458 -20.998 839 HB3 ARG 108 3HB ARG 108 5.974 -15.848 -20.526 840 HG2 ARG 108 2HG ARG 108 3.053 -15.408 -19.945 841 HG3 ARG 108 3HG ARG 108 3.748 -16.562 -21.086 842 HD2 ARG 108 2HD ARG 108 4.837 -17.735 -19.239 843 HD3 ARG 108 3HD ARG 108 4.159 -16.575 -18.098 844 HE ARG 108 HE ARG 108 2.171 -17.700 -18.194 845 HH11 ARG 108 1HH1 ARG 108 4.145 -18.650 -20.900 846 HH12 ARG 108 2HH1 ARG 108 3.070 -19.910 -21.409 847 HH21 ARG 108 1HH2 ARG 108 0.748 -19.356 -18.854 848 HH22 ARG 108 2HH2 ARG 108 1.138 -20.310 -20.245 849 H GLN 109 H GLN 109 7.825 -14.537 -19.973 850 HA GLN 109 HA GLN 109 9.020 -16.535 -18.334 851 HB2 GLN 109 2HB GLN 109 9.820 -16.269 -20.576 852 HB3 GLN 109 3HB GLN 109 10.177 -14.568 -20.309 853 HG2 GLN 109 2HG GLN 109 11.913 -15.214 -18.689 854 HG3 GLN 109 3HG GLN 109 11.582 -16.909 -19.042 855 HE21 GLN 109 1HE2 GLN 109 13.948 -16.754 -19.521 856 HE22 GLN 109 2HE2 GLN 109 14.401 -16.349 -21.138 857 H SER 110 H SER 110 8.963 -13.029 -18.298 858 HA SER 110 HA SER 110 11.038 -12.716 -16.369 859 HB2 SER 110 2HB SER 110 10.261 -10.934 -17.973 860 HB3 SER 110 3HB SER 110 8.810 -10.765 -16.985 861 HG SER 110 HG SER 110 10.150 -10.198 -15.234 862 H GLY 111 H GLY 111 7.627 -13.351 -16.211 863 HA2 GLY 111 2HA GLY 111 7.396 -12.631 -13.417 864 HA3 GLY 111 3HA GLY 111 6.149 -13.363 -14.415 Start of MODEL 8 1 H1 MET 1 H MET 1 2.048 0.062 -2.069 2 HA MET 1 HA MET 1 1.279 0.415 0.122 3 HB2 MET 1 2HB MET 1 -0.689 1.802 -1.705 4 HB3 MET 1 3HB MET 1 -0.461 2.182 -0.003 5 HG2 MET 1 2HG MET 1 2.063 2.242 -1.344 6 HG3 MET 1 3HG MET 1 0.901 3.242 -2.213 7 HE1 MET 1 3HE MET 1 2.323 2.692 1.618 8 HE2 MET 1 1HE MET 1 3.428 2.986 0.275 9 HE3 MET 1 2HE MET 1 3.167 4.236 1.490 10 H SER 2 H SER 2 0.174 -2.086 -1.036 11 HA SER 2 HA SER 2 -2.209 -2.243 0.674 12 HB2 SER 2 2HB SER 2 -2.436 -4.034 -1.588 13 HB3 SER 2 3HB SER 2 -3.574 -2.816 -1.012 14 HG SER 2 HG SER 2 -2.787 -2.418 -3.154 15 H LYS 3 H LYS 3 -2.832 -4.853 0.467 16 HA LYS 3 HA LYS 3 -0.353 -6.315 1.073 17 HB2 LYS 3 2HB LYS 3 -2.318 -5.546 2.946 18 HB3 LYS 3 3HB LYS 3 -2.533 -7.273 2.690 19 HG2 LYS 3 2HG LYS 3 -0.151 -7.622 3.195 20 HG3 LYS 3 3HG LYS 3 0.014 -5.894 3.515 21 HD2 LYS 3 2HD LYS 3 -1.036 -6.030 5.515 22 HD3 LYS 3 3HD LYS 3 -2.158 -7.275 4.960 23 HE2 LYS 3 2HE LYS 3 -0.698 -8.991 5.436 24 HE3 LYS 3 3HE LYS 3 0.725 -7.961 5.297 25 HZ1 LYS 3 3HZ LYS 3 -0.238 -6.824 7.378 26 HZ2 LYS 3 1HZ LYS 3 0.552 -8.309 7.556 27 HZ3 LYS 3 2HZ LYS 3 -1.138 -8.245 7.561 28 H ASN 4 H ASN 4 -0.337 -7.524 -0.776 29 HA ASN 4 HA ASN 4 -2.673 -8.781 -1.834 30 HB2 ASN 4 2HB ASN 4 -0.968 -10.023 -3.258 31 HB3 ASN 4 3HB ASN 4 -0.961 -8.267 -3.396 32 HD21 ASN 4 1HD2 ASN 4 0.815 -7.137 -2.796 33 HD22 ASN 4 2HD2 ASN 4 2.285 -7.868 -2.258 34 H GLU 5 H GLU 5 -3.638 -10.517 -1.036 35 HA GLU 5 HA GLU 5 -2.703 -12.050 1.088 36 HB2 GLU 5 2HB GLU 5 -4.724 -12.786 -1.037 37 HB3 GLU 5 3HB GLU 5 -4.489 -13.664 0.468 38 HG2 GLU 5 2HG GLU 5 -4.989 -11.459 1.639 39 HG3 GLU 5 3HG GLU 5 -5.567 -10.896 0.072 40 H ARG 6 H ARG 6 -2.576 -12.703 -2.395 41 HA ARG 6 HA ARG 6 -1.132 -15.179 -1.975 42 HB2 ARG 6 2HB ARG 6 -1.175 -15.381 -4.409 43 HB3 ARG 6 3HB ARG 6 -2.779 -15.018 -3.787 44 HG2 ARG 6 2HG ARG 6 -1.911 -12.527 -4.293 45 HG3 ARG 6 3HG ARG 6 -1.010 -13.423 -5.518 46 HD2 ARG 6 2HD ARG 6 -2.974 -12.908 -6.626 47 HD3 ARG 6 3HD ARG 6 -3.296 -14.534 -6.026 48 HE ARG 6 HE ARG 6 -4.923 -13.675 -4.658 49 HH11 ARG 6 1HH1 ARG 6 -2.955 -11.078 -5.883 50 HH12 ARG 6 2HH1 ARG 6 -3.992 -9.831 -5.276 51 HH21 ARG 6 1HH2 ARG 6 -6.298 -12.042 -3.854 52 HH22 ARG 6 2HH2 ARG 6 -5.893 -10.380 -4.121 53 H ASP 7 H ASP 7 0.728 -15.312 -3.883 54 HA ASP 7 HA ASP 7 2.415 -13.051 -4.120 55 HB2 ASP 7 2HB ASP 7 4.286 -13.935 -2.681 56 HB3 ASP 7 3HB ASP 7 2.895 -13.321 -1.792 57 H THR 8 H THR 8 1.335 -15.174 -5.741 58 HA THR 8 HA THR 8 3.641 -15.815 -7.257 59 HB THR 8 HB THR 8 3.978 -17.501 -5.504 60 HG1 THR 8 HG1 THR 8 4.690 -18.239 -7.435 61 HG21 THR 8 3HG2 THR 8 2.400 -18.989 -4.794 62 HG22 THR 8 1HG2 THR 8 1.570 -19.021 -6.350 63 HG23 THR 8 2HG2 THR 8 1.331 -17.663 -5.250 64 H SER 9 H SER 9 1.167 -14.590 -7.768 65 HA SER 9 HA SER 9 0.101 -16.424 -9.798 66 HB2 SER 9 2HB SER 9 -1.510 -14.768 -7.849 67 HB3 SER 9 3HB SER 9 -2.193 -15.456 -9.322 68 HG SER 9 HG SER 9 -1.557 -16.670 -6.951 69 H PHE 10 H PHE 10 0.182 -13.070 -8.630 70 HA PHE 10 HA PHE 10 -0.119 -12.138 -11.396 71 HB2 PHE 10 2HB PHE 10 -0.664 -9.964 -10.450 72 HB3 PHE 10 3HB PHE 10 -1.670 -11.203 -9.708 73 HD1 PHE 10 HD1 PHE 10 -1.248 -11.922 -7.397 74 HD2 PHE 10 HD2 PHE 10 0.910 -8.714 -9.176 75 HE1 PHE 10 HE1 PHE 10 -0.520 -11.180 -5.167 76 HE2 PHE 10 HE2 PHE 10 1.642 -7.967 -6.949 77 HZ PHE 10 HZ PHE 10 0.928 -9.201 -4.941 78 H ASN 11 H ASN 11 1.553 -11.325 -12.479 79 HA ASN 11 HA ASN 11 4.051 -10.846 -11.011 80 HB2 ASN 11 2HB ASN 11 4.127 -12.544 -12.807 81 HB3 ASN 11 3HB ASN 11 3.631 -11.318 -13.971 82 HD21 ASN 11 1HD2 ASN 11 5.828 -12.506 -14.640 83 HD22 ASN 11 2HD2 ASN 11 7.234 -11.559 -14.309 84 H LYS 12 H LYS 12 4.241 -8.769 -10.461 85 HA LYS 12 HA LYS 12 2.992 -6.585 -11.607 86 HB2 LYS 12 2HB LYS 12 4.172 -6.600 -9.412 87 HB3 LYS 12 3HB LYS 12 5.705 -6.579 -10.273 88 HG2 LYS 12 2HG LYS 12 5.528 -4.392 -10.822 89 HG3 LYS 12 3HG LYS 12 3.769 -4.453 -10.955 90 HD2 LYS 12 2HD LYS 12 3.651 -4.604 -8.472 91 HD3 LYS 12 3HD LYS 12 5.400 -4.368 -8.418 92 HE2 LYS 12 2HE LYS 12 5.252 -2.176 -9.173 93 HE3 LYS 12 3HE LYS 12 3.651 -2.421 -9.870 94 HZ1 LYS 12 3HZ LYS 12 4.399 -1.720 -7.165 95 HZ2 LYS 12 1HZ LYS 12 3.185 -2.894 -7.278 96 HZ3 LYS 12 2HZ LYS 12 2.976 -1.387 -8.017 97 H ASN 13 H ASN 13 5.971 -8.182 -12.532 98 HA ASN 13 HA ASN 13 7.070 -6.247 -14.204 99 HB2 ASN 13 2HB ASN 13 8.122 -8.437 -13.483 100 HB3 ASN 13 3HB ASN 13 7.158 -9.219 -14.732 101 HD21 ASN 13 1HD2 ASN 13 7.435 -8.387 -16.944 102 HD22 ASN 13 2HD2 ASN 13 9.011 -7.871 -17.429 103 H GLY 14 H GLY 14 4.722 -8.809 -14.949 104 HA2 GLY 14 2HA GLY 14 4.499 -8.361 -17.696 105 HA3 GLY 14 3HA GLY 14 3.234 -9.038 -16.681 106 H CYS 15 H CYS 15 2.885 -6.753 -15.002 107 HA CYS 15 HA CYS 15 1.053 -5.289 -16.600 108 HB2 CYS 15 2HB CYS 15 0.907 -5.761 -14.092 109 HB3 CYS 15 3HB CYS 15 2.058 -4.447 -13.885 110 HG CYS 15 HG CYS 15 -1.210 -4.322 -14.711 111 H LEU 16 H LEU 16 4.193 -4.481 -15.160 112 HA LEU 16 HA LEU 16 4.307 -1.805 -15.952 113 HB2 LEU 16 2HB LEU 16 5.881 -2.558 -14.370 114 HB3 LEU 16 3HB LEU 16 6.433 -3.858 -15.423 115 HG LEU 16 HG LEU 16 6.906 -1.332 -16.692 116 HD11 LEU 16 1HD1 LEU 16 7.504 -1.478 -13.803 117 HD12 LEU 16 2HD1 LEU 16 7.209 -0.079 -14.836 118 HD13 LEU 16 3HD1 LEU 16 8.787 -0.867 -14.849 119 HD21 LEU 16 3HD2 LEU 16 8.243 -3.043 -17.422 120 HD22 LEU 16 1HD2 LEU 16 8.453 -3.717 -15.806 121 HD23 LEU 16 2HD2 LEU 16 9.330 -2.261 -16.275 122 H VAL 17 H VAL 17 5.487 -4.720 -17.607 123 HA VAL 17 HA VAL 17 6.497 -3.351 -19.875 124 HB VAL 17 HB VAL 17 7.236 -5.616 -19.286 125 HG11 VAL 17 1HG1 VAL 17 4.495 -6.500 -20.182 126 HG12 VAL 17 2HG1 VAL 17 5.824 -7.547 -19.680 127 HG13 VAL 17 3HG1 VAL 17 5.060 -6.468 -18.512 128 HG21 VAL 17 3HG2 VAL 17 5.953 -5.299 -21.993 129 HG22 VAL 17 1HG2 VAL 17 7.619 -4.943 -21.539 130 HG23 VAL 17 2HG2 VAL 17 7.055 -6.613 -21.582 131 H PHE 18 H PHE 18 3.380 -4.782 -19.092 132 HA PHE 18 HA PHE 18 2.218 -4.760 -21.628 133 HB2 PHE 18 2HB PHE 18 1.131 -5.896 -19.801 134 HB3 PHE 18 3HB PHE 18 0.966 -4.391 -18.903 135 HD1 PHE 18 HD1 PHE 18 0.245 -5.164 -22.471 136 HD2 PHE 18 HD2 PHE 18 -1.300 -4.016 -18.675 137 HE1 PHE 18 HE1 PHE 18 -1.968 -4.807 -23.484 138 HE2 PHE 18 HE2 PHE 18 -3.517 -3.658 -19.681 139 HZ PHE 18 HZ PHE 18 -3.853 -4.055 -22.089 140 H VAL 19 H VAL 19 1.702 -2.341 -19.055 141 HA VAL 19 HA VAL 19 0.448 -0.454 -20.717 142 HB VAL 19 HB VAL 19 0.234 -0.366 -18.289 143 HG11 VAL 19 1HG1 VAL 19 1.945 -0.204 -16.829 144 HG12 VAL 19 2HG1 VAL 19 2.884 -0.857 -18.173 145 HG13 VAL 19 3HG1 VAL 19 2.870 0.880 -17.867 146 HG21 VAL 19 3HG2 VAL 19 0.215 1.724 -19.889 147 HG22 VAL 19 1HG2 VAL 19 0.077 1.917 -18.142 148 HG23 VAL 19 2HG2 VAL 19 1.627 2.187 -18.939 149 H SER 20 H SER 20 3.824 -0.971 -19.877 150 HA SER 20 HA SER 20 4.915 1.414 -20.814 151 HB2 SER 20 2HB SER 20 5.965 -1.367 -20.473 152 HB3 SER 20 3HB SER 20 6.950 -0.186 -21.335 153 HG SER 20 HG SER 20 6.669 1.187 -19.457 154 H ARG 21 H ARG 21 4.322 -1.628 -22.551 155 HA ARG 21 HA ARG 21 5.321 -0.707 -25.040 156 HB2 ARG 21 2HB ARG 21 3.463 -2.979 -24.330 157 HB3 ARG 21 3HB ARG 21 4.050 -2.683 -25.961 158 HG2 ARG 21 2HG ARG 21 5.852 -3.153 -23.599 159 HG3 ARG 21 3HG ARG 21 5.300 -4.426 -24.690 160 HD2 ARG 21 2HD ARG 21 6.395 -3.396 -26.551 161 HD3 ARG 21 3HD ARG 21 6.775 -1.962 -25.598 162 HE ARG 21 HE ARG 21 7.885 -4.408 -24.556 163 HH11 ARG 21 1HH1 ARG 21 8.360 -1.711 -26.705 164 HH12 ARG 21 2HH1 ARG 21 10.087 -1.843 -26.699 165 HH21 ARG 21 1HH2 ARG 21 10.159 -4.591 -24.539 166 HH22 ARG 21 2HH2 ARG 21 11.110 -3.482 -25.468 167 H LEU 22 H LEU 22 2.127 -0.725 -23.557 168 HA LEU 22 HA LEU 22 0.602 -0.030 -25.793 169 HB2 LEU 22 2HB LEU 22 0.286 0.118 -22.866 170 HB3 LEU 22 3HB LEU 22 -0.736 1.207 -23.802 171 HG LEU 22 HG LEU 22 -1.922 -0.841 -23.273 172 HD11 LEU 22 1HD1 LEU 22 -1.610 -1.473 -26.059 173 HD12 LEU 22 2HD1 LEU 22 -1.618 0.274 -25.817 174 HD13 LEU 22 3HD1 LEU 22 -2.962 -0.704 -25.227 175 HD21 LEU 22 3HD2 LEU 22 0.510 -2.112 -24.449 176 HD22 LEU 22 1HD2 LEU 22 -1.047 -2.933 -24.559 177 HD23 LEU 22 2HD2 LEU 22 -0.376 -2.524 -22.980 178 H TRP 23 H TRP 23 2.332 1.994 -23.464 179 HA TRP 23 HA TRP 23 1.426 4.481 -24.417 180 HB2 TRP 23 2HB TRP 23 3.675 3.540 -22.717 181 HB3 TRP 23 3HB TRP 23 3.824 5.149 -23.420 182 HD1 TRP 23 HD1 TRP 23 0.743 3.399 -21.818 183 HE1 TRP 23 HE1 TRP 23 -0.193 4.966 -20.003 184 HE3 TRP 23 HE3 TRP 23 4.189 7.162 -22.137 185 HZ2 TRP 23 HZ2 TRP 23 0.445 7.466 -18.858 186 HZ3 TRP 23 HZ3 TRP 23 3.954 9.106 -20.648 187 HH2 TRP 23 HH2 TRP 23 2.120 9.254 -19.043 188 H ASP 24 H ASP 24 4.091 2.405 -25.391 189 HA ASP 24 HA ASP 24 5.339 4.285 -27.117 190 HB2 ASP 24 2HB ASP 24 5.519 1.320 -26.732 191 HB3 ASP 24 3HB ASP 24 6.272 2.057 -28.144 192 H LEU 25 H LEU 25 3.396 1.389 -27.882 193 HA LEU 25 HA LEU 25 3.136 1.892 -30.614 194 HB2 LEU 25 2HB LEU 25 1.829 0.061 -30.653 195 HB3 LEU 25 3HB LEU 25 2.443 -0.138 -29.013 196 HG LEU 25 HG LEU 25 0.276 1.267 -28.422 197 HD11 LEU 25 1HD1 LEU 25 -0.092 1.133 -31.095 198 HD12 LEU 25 2HD1 LEU 25 -1.398 1.292 -29.921 199 HD13 LEU 25 3HD1 LEU 25 -0.984 -0.295 -30.569 200 HD21 LEU 25 3HD2 LEU 25 -0.536 -1.459 -28.998 201 HD22 LEU 25 1HD2 LEU 25 -0.334 -0.642 -27.448 202 HD23 LEU 25 2HD2 LEU 25 1.057 -1.378 -28.244 203 H ASP 26 H ASP 26 1.487 3.262 -27.894 204 HA ASP 26 HA ASP 26 -0.752 4.284 -29.360 205 HB2 ASP 26 2HB ASP 26 0.341 4.681 -26.599 206 HB3 ASP 26 3HB ASP 26 -0.877 5.794 -27.216 207 H LYS 27 H LYS 27 0.545 5.211 -31.128 208 HA LYS 27 HA LYS 27 2.341 7.319 -30.842 209 HB2 LYS 27 2HB LYS 27 0.733 6.169 -32.998 210 HB3 LYS 27 3HB LYS 27 1.017 7.893 -33.196 211 HG2 LYS 27 2HG LYS 27 3.495 6.895 -32.488 212 HG3 LYS 27 3HG LYS 27 2.824 5.660 -33.556 213 HD2 LYS 27 2HD LYS 27 2.738 7.076 -35.362 214 HD3 LYS 27 3HD LYS 27 2.601 8.521 -34.358 215 HE2 LYS 27 2HE LYS 27 4.760 8.820 -34.905 216 HE3 LYS 27 3HE LYS 27 5.057 7.627 -33.642 217 HZ1 LYS 27 3HZ LYS 27 5.813 6.188 -35.132 218 HZ2 LYS 27 1HZ LYS 27 5.787 7.434 -36.276 219 HZ3 LYS 27 2HZ LYS 27 4.466 6.387 -36.136 220 H LEU 28 H LEU 28 -1.139 7.273 -30.678 221 HA LEU 28 HA LEU 28 -1.652 10.006 -31.065 222 HB2 LEU 28 2HB LEU 28 -3.545 8.701 -31.141 223 HB3 LEU 28 3HB LEU 28 -3.080 7.760 -29.725 224 HG LEU 28 HG LEU 28 -3.708 10.605 -29.242 225 HD11 LEU 28 1HD1 LEU 28 -6.199 9.441 -29.118 226 HD12 LEU 28 2HD1 LEU 28 -5.546 8.841 -30.642 227 HD13 LEU 28 3HD1 LEU 28 -5.643 10.577 -30.347 228 HD21 LEU 28 3HD2 LEU 28 -5.004 8.441 -27.737 229 HD22 LEU 28 1HD2 LEU 28 -4.138 9.866 -27.164 230 HD23 LEU 28 2HD2 LEU 28 -3.241 8.439 -27.682 231 H GLY 29 H GLY 29 -0.409 8.244 -28.342 232 HA2 GLY 29 2HA GLY 29 0.921 9.557 -26.755 233 HA3 GLY 29 3HA GLY 29 -0.347 10.772 -26.813 234 H MET 30 H MET 30 -2.270 10.441 -25.673 235 HA MET 30 HA MET 30 -2.032 8.458 -23.530 236 HB2 MET 30 2HB MET 30 -3.884 10.838 -23.733 237 HB3 MET 30 3HB MET 30 -3.663 9.809 -22.324 238 HG2 MET 30 2HG MET 30 -1.130 10.831 -23.169 239 HG3 MET 30 3HG MET 30 -2.279 12.155 -22.992 240 HE1 MET 30 3HE MET 30 0.457 11.286 -20.327 241 HE2 MET 30 1HE MET 30 0.035 12.323 -21.691 242 HE3 MET 30 2HE MET 30 -0.424 12.791 -20.053 243 H PHE 31 H PHE 31 -2.672 6.794 -25.144 244 HA PHE 31 HA PHE 31 -5.584 6.754 -25.578 245 HB2 PHE 31 2HB PHE 31 -3.709 6.504 -27.485 246 HB3 PHE 31 3HB PHE 31 -3.843 4.817 -27.003 247 HD1 PHE 31 HD2 PHE 31 -6.540 4.253 -26.558 248 HD2 PHE 31 HD1 PHE 31 -4.883 6.963 -29.390 249 HE1 PHE 31 HE2 PHE 31 -8.549 4.012 -27.958 250 HE2 PHE 31 HE1 PHE 31 -6.889 6.728 -30.795 251 HZ PHE 31 HZ PHE 31 -8.725 5.250 -30.080 252 H HIS 32 H HIS 32 -6.694 5.470 -24.276 253 HA HIS 32 HA HIS 32 -6.009 2.778 -23.769 254 HB2 HIS 32 2HB HIS 32 -5.791 3.101 -21.224 255 HB3 HIS 32 3HB HIS 32 -4.383 3.462 -22.218 256 HD1 HIS 32 HD1 HIS 32 -7.230 5.885 -21.899 257 HD2 HIS 32 HD2 HIS 32 -3.373 5.354 -20.449 258 HE1 HIS 32 HE1 HIS 32 -6.638 8.045 -20.755 259 H HIS 33 H HIS 33 -8.249 3.284 -24.745 260 HA HIS 33 HA HIS 33 -10.183 2.906 -22.621 261 HB2 HIS 33 2HB HIS 33 -9.941 5.421 -24.088 262 HB3 HIS 33 3HB HIS 33 -11.551 4.718 -24.202 263 HD1 HIS 33 HD1 HIS 33 -13.066 5.093 -22.259 264 HD2 HIS 33 HD2 HIS 33 -9.087 5.832 -21.317 265 HE1 HIS 33 HE1 HIS 33 -13.092 6.054 -19.936 266 HA PRO 34 HA PRO 34 -12.022 0.202 -25.549 267 HB2 PRO 34 2HB PRO 34 -14.625 0.289 -24.783 268 HB3 PRO 34 3HB PRO 34 -13.373 -0.532 -23.843 269 HG2 PRO 34 2HG PRO 34 -14.567 2.184 -23.444 270 HG3 PRO 34 3HG PRO 34 -14.186 0.941 -22.238 271 HD2 PRO 34 2HD PRO 34 -12.584 3.078 -22.684 272 HD3 PRO 34 3HD PRO 34 -11.950 1.496 -22.189 273 H VAL 35 H VAL 35 -13.110 0.169 -27.497 274 HA VAL 35 HA VAL 35 -13.554 2.678 -28.770 275 HB VAL 35 HB VAL 35 -12.728 0.645 -29.953 276 HG11 VAL 35 1HG1 VAL 35 -13.897 -1.258 -30.117 277 HG12 VAL 35 2HG1 VAL 35 -14.840 -0.623 -28.768 278 HG13 VAL 35 3HG1 VAL 35 -15.413 -0.411 -30.423 279 HG21 VAL 35 3HG2 VAL 35 -14.180 2.695 -30.918 280 HG22 VAL 35 1HG2 VAL 35 -13.499 1.420 -31.930 281 HG23 VAL 35 2HG2 VAL 35 -15.188 1.339 -31.427 282 H SER 36 H SER 36 -15.456 3.615 -29.479 283 HA SER 36 HA SER 36 -17.774 3.076 -27.867 284 HB2 SER 36 2HB SER 36 -16.869 5.370 -28.755 285 HB3 SER 36 3HB SER 36 -17.800 4.965 -30.197 286 HG SER 36 HG SER 36 -18.676 5.960 -27.890 287 H ALA 37 H ALA 37 -19.722 2.240 -28.488 288 HA ALA 37 HA ALA 37 -19.752 0.368 -30.601 289 HB1 ALA 37 1HB ALA 37 -22.312 1.367 -29.466 290 HB2 ALA 37 2HB ALA 37 -21.792 -0.284 -29.808 291 HB3 ALA 37 3HB ALA 37 -21.176 0.558 -28.387 292 H GLU 38 H GLU 38 -20.906 3.674 -30.324 293 HA GLU 38 HA GLU 38 -22.577 3.865 -32.508 294 HB2 GLU 38 2HB GLU 38 -21.928 6.253 -32.608 295 HB3 GLU 38 3HB GLU 38 -22.285 5.713 -30.974 296 HG2 GLU 38 2HG GLU 38 -19.684 5.311 -30.905 297 HG3 GLU 38 3HG GLU 38 -19.699 6.522 -32.185 298 H GLU 39 H GLU 39 -19.045 4.013 -32.421 299 HA GLU 39 HA GLU 39 -18.933 4.305 -35.319 300 HB2 GLU 39 2HB GLU 39 -16.878 4.406 -33.128 301 HB3 GLU 39 3HB GLU 39 -16.398 4.260 -34.812 302 HG2 GLU 39 2HG GLU 39 -17.888 6.329 -35.183 303 HG3 GLU 39 3HG GLU 39 -17.770 6.530 -33.436 304 H LEU 40 H LEU 40 -18.563 1.896 -32.858 305 HA LEU 40 HA LEU 40 -17.750 -0.051 -34.915 306 HB2 LEU 40 2HB LEU 40 -16.902 0.305 -32.088 307 HB3 LEU 40 3HB LEU 40 -17.007 -1.335 -32.723 308 HG LEU 40 HG LEU 40 -14.727 -0.324 -32.803 309 HD11 LEU 40 1HD1 LEU 40 -14.224 -1.554 -34.618 310 HD12 LEU 40 2HD1 LEU 40 -15.405 -0.733 -35.637 311 HD13 LEU 40 3HD1 LEU 40 -15.926 -2.008 -34.536 312 HD21 LEU 40 3HD2 LEU 40 -15.573 1.291 -35.154 313 HD22 LEU 40 1HD2 LEU 40 -14.207 1.512 -34.061 314 HD23 LEU 40 2HD2 LEU 40 -15.833 1.954 -33.539 315 HA PRO 41 HA PRO 41 -21.971 -1.231 -33.470 316 HB2 PRO 41 2HB PRO 41 -22.829 -2.006 -35.926 317 HB3 PRO 41 3HB PRO 41 -22.903 -0.331 -35.367 318 HG2 PRO 41 2HG PRO 41 -20.884 -1.647 -37.142 319 HG3 PRO 41 3HG PRO 41 -21.649 -0.056 -37.306 320 HD2 PRO 41 2HD PRO 41 -19.149 -0.376 -36.316 321 HD3 PRO 41 3HD PRO 41 -20.231 0.922 -35.773 322 H ASP 42 H ASP 42 -19.364 -2.805 -35.069 323 HA ASP 42 HA ASP 42 -20.538 -5.438 -34.459 324 HB2 ASP 42 2HB ASP 42 -19.175 -6.390 -36.195 325 HB3 ASP 42 3HB ASP 42 -20.011 -4.994 -36.870 326 H TYR 43 H TYR 43 -18.986 -3.519 -32.733 327 HA TYR 43 HA TYR 43 -16.384 -4.320 -32.273 328 HB2 TYR 43 2HB TYR 43 -16.582 -3.358 -30.101 329 HB3 TYR 43 3HB TYR 43 -17.624 -2.417 -31.163 330 HD1 TYR 43 HD1 TYR 43 -20.133 -3.084 -31.198 331 HD2 TYR 43 HD2 TYR 43 -17.430 -4.211 -28.112 332 HE1 TYR 43 HE1 TYR 43 -22.033 -3.472 -29.685 333 HE2 TYR 43 HE2 TYR 43 -19.323 -4.604 -26.590 334 HH TYR 43 HH TYR 43 -22.525 -3.611 -27.347 335 H HIS 44 H HIS 44 -19.378 -5.884 -31.355 336 HA HIS 44 HA HIS 44 -18.300 -7.720 -29.497 337 HB2 HIS 44 2HB HIS 44 -20.819 -7.071 -30.283 338 HB3 HIS 44 3HB HIS 44 -20.614 -8.622 -31.093 339 HD1 HIS 44 HD1 HIS 44 -22.340 -7.703 -28.404 340 HD2 HIS 44 HD2 HIS 44 -19.049 -10.221 -28.696 341 HE1 HIS 44 HE1 HIS 44 -22.435 -9.172 -26.365 342 H THR 45 H THR 45 -18.591 -7.738 -32.987 343 HA THR 45 HA THR 45 -17.728 -10.500 -33.195 344 HB THR 45 HB THR 45 -18.203 -8.452 -35.369 345 HG1 THR 45 HG1 THR 45 -20.226 -8.927 -35.013 346 HG21 THR 45 3HG2 THR 45 -16.930 -9.979 -36.492 347 HG22 THR 45 1HG2 THR 45 -18.493 -10.786 -36.618 348 HG23 THR 45 2HG2 THR 45 -17.335 -11.293 -35.387 349 H VAL 46 H VAL 46 -16.459 -7.280 -33.985 350 HA VAL 46 HA VAL 46 -13.970 -8.217 -34.986 351 HB VAL 46 HB VAL 46 -14.725 -5.494 -33.914 352 HG11 VAL 46 1HG1 VAL 46 -12.176 -6.578 -34.659 353 HG12 VAL 46 2HG1 VAL 46 -12.636 -5.293 -35.778 354 HG13 VAL 46 3HG1 VAL 46 -12.570 -4.973 -34.044 355 HG21 VAL 46 3HG2 VAL 46 -14.512 -6.470 -36.761 356 HG22 VAL 46 1HG2 VAL 46 -16.023 -6.262 -35.874 357 HG23 VAL 46 2HG2 VAL 46 -15.009 -4.863 -36.229 358 H ILE 47 H ILE 47 -14.871 -6.701 -31.888 359 HA ILE 47 HA ILE 47 -12.493 -7.967 -30.693 360 HB ILE 47 HB ILE 47 -13.674 -5.283 -29.970 361 HG12 ILE 47 2HG1 ILE 47 -12.331 -5.356 -32.080 362 HG13 ILE 47 3HG1 ILE 47 -11.635 -4.329 -30.832 363 HG21 ILE 47 1HG2 ILE 47 -11.240 -5.492 -28.719 364 HG22 ILE 47 2HG2 ILE 47 -12.813 -5.712 -27.955 365 HG23 ILE 47 3HG2 ILE 47 -11.914 -7.112 -28.540 366 HD11 ILE 47 3HD1 ILE 47 -9.992 -5.981 -30.305 367 HD12 ILE 47 1HD1 ILE 47 -10.758 -7.152 -31.378 368 HD13 ILE 47 2HD1 ILE 47 -9.984 -5.716 -32.048 369 H LYS 48 H LYS 48 -13.931 -9.746 -30.188 370 HA LYS 48 HA LYS 48 -16.268 -9.624 -28.722 371 HB2 LYS 48 2HB LYS 48 -15.617 -11.912 -27.879 372 HB3 LYS 48 3HB LYS 48 -15.592 -11.718 -29.626 373 HG2 LYS 48 2HG LYS 48 -13.231 -11.631 -29.678 374 HG3 LYS 48 3HG LYS 48 -13.130 -11.451 -27.925 375 HD2 LYS 48 2HD LYS 48 -12.632 -13.685 -28.172 376 HD3 LYS 48 3HD LYS 48 -14.378 -13.754 -27.920 377 HE2 LYS 48 2HE LYS 48 -14.155 -15.113 -29.755 378 HE3 LYS 48 3HE LYS 48 -14.449 -13.558 -30.533 379 HZ1 LYS 48 3HZ LYS 48 -12.051 -15.185 -30.498 380 HZ2 LYS 48 1HZ LYS 48 -11.794 -13.524 -30.309 381 HZ3 LYS 48 2HZ LYS 48 -12.610 -14.103 -31.672 382 H ARG 49 H ARG 49 -12.982 -9.170 -27.667 383 HA ARG 49 HA ARG 49 -13.977 -8.683 -24.938 384 HB2 ARG 49 2HB ARG 49 -11.932 -10.515 -25.821 385 HB3 ARG 49 3HB ARG 49 -11.241 -9.304 -24.749 386 HG2 ARG 49 2HG ARG 49 -12.356 -10.068 -22.939 387 HG3 ARG 49 3HG ARG 49 -13.773 -10.545 -23.876 388 HD2 ARG 49 2HD ARG 49 -13.075 -12.650 -23.821 389 HD3 ARG 49 3HD ARG 49 -11.635 -12.178 -24.722 390 HE ARG 49 HE ARG 49 -10.417 -12.325 -22.789 391 HH11 ARG 49 1HH1 ARG 49 -13.808 -12.274 -22.005 392 HH12 ARG 49 2HH1 ARG 49 -13.560 -12.634 -20.329 393 HH21 ARG 49 1HH2 ARG 49 -10.077 -12.799 -20.584 394 HH22 ARG 49 2HH2 ARG 49 -11.437 -12.932 -19.521 395 HA PRO 50 HA PRO 50 -12.226 -4.719 -26.323 396 HB2 PRO 50 2HB PRO 50 -13.709 -3.231 -24.604 397 HB3 PRO 50 3HB PRO 50 -14.328 -3.807 -26.156 398 HG2 PRO 50 2HG PRO 50 -14.742 -4.936 -23.414 399 HG3 PRO 50 3HG PRO 50 -15.918 -4.715 -24.723 400 HD2 PRO 50 2HD PRO 50 -14.775 -7.109 -24.181 401 HD3 PRO 50 3HD PRO 50 -15.241 -6.623 -25.823 402 H VAL 51 H VAL 51 -10.990 -3.086 -25.203 403 HA VAL 51 HA VAL 51 -9.982 -3.991 -22.583 404 HB VAL 51 HB VAL 51 -8.306 -4.320 -24.340 405 HG11 VAL 51 1HG1 VAL 51 -8.112 -1.363 -24.728 406 HG12 VAL 51 2HG1 VAL 51 -7.541 -2.670 -25.767 407 HG13 VAL 51 3HG1 VAL 51 -9.265 -2.304 -25.674 408 HG21 VAL 51 3HG2 VAL 51 -6.571 -3.612 -23.055 409 HG22 VAL 51 1HG2 VAL 51 -7.223 -1.982 -22.879 410 HG23 VAL 51 2HG2 VAL 51 -7.878 -3.303 -21.912 411 H ASP 52 H ASP 52 -10.067 -2.571 -20.962 412 HA ASP 52 HA ASP 52 -10.441 0.277 -21.610 413 HB2 ASP 52 2HB ASP 52 -11.694 -0.707 -19.120 414 HB3 ASP 52 3HB ASP 52 -12.279 0.476 -20.288 415 H LEU 53 H LEU 53 -9.706 1.770 -19.995 416 HA LEU 53 HA LEU 53 -7.270 0.902 -18.743 417 HB2 LEU 53 2HB LEU 53 -7.177 3.036 -19.704 418 HB3 LEU 53 3HB LEU 53 -8.700 3.528 -18.967 419 HG LEU 53 HG LEU 53 -7.558 3.534 -16.755 420 HD11 LEU 53 1HD1 LEU 53 -5.625 2.067 -18.005 421 HD12 LEU 53 2HD1 LEU 53 -5.440 2.887 -16.455 422 HD13 LEU 53 3HD1 LEU 53 -4.890 3.669 -17.937 423 HD21 LEU 53 3HD2 LEU 53 -6.917 5.332 -19.013 424 HD22 LEU 53 1HD2 LEU 53 -5.937 5.506 -17.557 425 HD23 LEU 53 2HD2 LEU 53 -7.690 5.679 -17.465 426 H SER 54 H SER 54 -10.414 2.100 -17.622 427 HA SER 54 HA SER 54 -9.776 1.997 -14.860 428 HB2 SER 54 2HB SER 54 -12.549 1.790 -16.040 429 HB3 SER 54 3HB SER 54 -12.089 2.432 -14.463 430 HG SER 54 HG SER 54 -12.152 4.260 -15.525 431 H SER 55 H SER 55 -11.231 -0.289 -17.109 432 HA SER 55 HA SER 55 -12.116 -2.196 -15.261 433 HB2 SER 55 2HB SER 55 -12.883 -2.445 -17.482 434 HB3 SER 55 3HB SER 55 -11.248 -2.398 -18.141 435 HG SER 55 HG SER 55 -11.159 -4.472 -17.897 436 H ILE 56 H ILE 56 -9.032 -1.994 -17.024 437 HA ILE 56 HA ILE 56 -7.863 -4.286 -15.901 438 HB ILE 56 HB ILE 56 -6.517 -1.799 -16.960 439 HG12 ILE 56 2HG1 ILE 56 -6.873 -4.448 -18.355 440 HG13 ILE 56 3HG1 ILE 56 -8.060 -3.155 -18.490 441 HG21 ILE 56 1HG2 ILE 56 -4.546 -3.264 -17.252 442 HG22 ILE 56 2HG2 ILE 56 -4.985 -3.025 -15.561 443 HG23 ILE 56 3HG2 ILE 56 -5.397 -4.535 -16.373 444 HD11 ILE 56 3HD1 ILE 56 -6.883 -2.317 -20.158 445 HD12 ILE 56 1HD1 ILE 56 -5.563 -1.997 -19.033 446 HD13 ILE 56 2HD1 ILE 56 -5.619 -3.522 -19.918 447 H ARG 57 H ARG 57 -7.618 -0.865 -14.963 448 HA ARG 57 HA ARG 57 -5.831 -1.121 -12.861 449 HB2 ARG 57 2HB ARG 57 -6.597 1.039 -13.763 450 HB3 ARG 57 3HB ARG 57 -8.183 0.768 -13.053 451 HG2 ARG 57 2HG ARG 57 -5.824 0.683 -11.256 452 HG3 ARG 57 3HG ARG 57 -6.354 2.252 -11.866 453 HD2 ARG 57 2HD ARG 57 -8.697 1.524 -11.096 454 HD3 ARG 57 3HD ARG 57 -7.853 0.286 -10.167 455 HE ARG 57 HE ARG 57 -7.179 1.903 -8.694 456 HH11 ARG 57 1HH1 ARG 57 -8.311 3.421 -11.615 457 HH12 ARG 57 2HH1 ARG 57 -8.241 5.025 -10.963 458 HH21 ARG 57 1HH2 ARG 57 -7.081 4.009 -7.825 459 HH22 ARG 57 2HH2 ARG 57 -7.540 5.358 -8.808 460 H ASP 58 H ASP 58 -9.326 -1.604 -12.905 461 HA ASP 58 HA ASP 58 -9.563 -2.010 -10.089 462 HB2 ASP 58 2HB ASP 58 -11.461 -1.284 -11.496 463 HB3 ASP 58 3HB ASP 58 -11.440 -2.845 -12.311 464 H GLY 59 H GLY 59 -9.032 -4.094 -12.867 465 HA2 GLY 59 2HA GLY 59 -9.542 -6.569 -11.623 466 HA3 GLY 59 3HA GLY 59 -8.517 -6.324 -13.030 467 H ILE 60 H ILE 60 -6.477 -4.813 -12.065 468 HA ILE 60 HA ILE 60 -4.896 -6.736 -10.718 469 HB ILE 60 HB ILE 60 -4.425 -3.837 -11.379 470 HG12 ILE 60 2HG1 ILE 60 -2.517 -5.280 -12.659 471 HG13 ILE 60 3HG1 ILE 60 -3.823 -6.460 -12.607 472 HG21 ILE 60 1HG2 ILE 60 -2.711 -5.736 -9.819 473 HG22 ILE 60 2HG2 ILE 60 -1.997 -4.436 -10.771 474 HG23 ILE 60 3HG2 ILE 60 -3.119 -4.057 -9.465 475 HD11 ILE 60 3HD1 ILE 60 -4.337 -3.682 -13.573 476 HD12 ILE 60 1HD1 ILE 60 -3.614 -4.887 -14.638 477 HD13 ILE 60 2HD1 ILE 60 -5.206 -5.173 -13.934 478 H GLU 61 H GLU 61 -6.499 -3.766 -9.666 479 HA GLU 61 HA GLU 61 -5.418 -3.698 -7.062 480 HB2 GLU 61 2HB GLU 61 -6.736 -1.886 -8.379 481 HB3 GLU 61 3HB GLU 61 -8.162 -2.669 -7.712 482 HG2 GLU 61 2HG GLU 61 -7.193 -2.330 -5.440 483 HG3 GLU 61 3HG GLU 61 -5.914 -1.378 -6.190 484 H LYS 62 H LYS 62 -8.136 -5.395 -8.463 485 HA LYS 62 HA LYS 62 -9.152 -6.261 -5.895 486 HB2 LYS 62 2HB LYS 62 -9.922 -6.979 -8.727 487 HB3 LYS 62 3HB LYS 62 -10.729 -7.616 -7.300 488 HG2 LYS 62 2HG LYS 62 -10.495 -4.666 -7.766 489 HG3 LYS 62 3HG LYS 62 -11.784 -5.620 -8.504 490 HD2 LYS 62 2HD LYS 62 -12.838 -5.981 -6.520 491 HD3 LYS 62 3HD LYS 62 -11.333 -5.983 -5.598 492 HE2 LYS 62 2HE LYS 62 -11.240 -3.474 -6.115 493 HE3 LYS 62 3HE LYS 62 -12.932 -3.640 -6.581 494 HZ1 LYS 62 3HZ LYS 62 -11.745 -4.180 -3.918 495 HZ2 LYS 62 1HZ LYS 62 -13.329 -4.601 -4.336 496 HZ3 LYS 62 2HZ LYS 62 -12.863 -2.976 -4.319 497 H GLY 63 H GLY 63 -6.993 -7.422 -8.348 498 HA2 GLY 63 2HA GLY 63 -5.405 -9.125 -7.999 499 HA3 GLY 63 3HA GLY 63 -6.381 -9.733 -6.671 500 H THR 64 H THR 64 -7.802 -8.995 -9.763 501 HA THR 64 HA THR 64 -9.185 -11.313 -10.110 502 HB THR 64 HB THR 64 -9.528 -9.414 -11.580 503 HG1 THR 64 HG1 THR 64 -10.294 -10.932 -12.836 504 HG21 THR 64 3HG2 THR 64 -7.003 -8.952 -11.749 505 HG22 THR 64 1HG2 THR 64 -7.993 -8.653 -13.176 506 HG23 THR 64 2HG2 THR 64 -7.018 -10.119 -13.071 507 H TYR 65 H TYR 65 -5.821 -10.712 -10.979 508 HA TYR 65 HA TYR 65 -5.288 -12.968 -12.495 509 HB2 TYR 65 2HB TYR 65 -3.499 -11.516 -10.537 510 HB3 TYR 65 3HB TYR 65 -2.932 -12.721 -11.688 511 HD1 TYR 65 HD2 TYR 65 -4.574 -11.963 -14.064 512 HD2 TYR 65 HD1 TYR 65 -2.437 -9.562 -11.277 513 HE1 TYR 65 HE2 TYR 65 -4.321 -10.214 -15.775 514 HE2 TYR 65 HE1 TYR 65 -2.179 -7.805 -12.980 515 HH TYR 65 HH TYR 65 -3.224 -8.304 -16.307 516 H ALA 66 H ALA 66 -5.719 -15.010 -12.007 517 HA ALA 66 HA ALA 66 -5.767 -15.908 -9.248 518 HB1 ALA 66 1HB ALA 66 -6.513 -18.076 -10.288 519 HB2 ALA 66 2HB ALA 66 -7.565 -16.691 -10.583 520 HB3 ALA 66 3HB ALA 66 -6.471 -17.253 -11.847 521 H THR 67 H THR 67 -3.838 -16.370 -12.153 522 HA THR 67 HA THR 67 -1.538 -17.131 -10.695 523 HB THR 67 HB THR 67 -1.795 -19.459 -12.261 524 HG1 THR 67 HG1 THR 67 -4.110 -18.998 -12.109 525 HG21 THR 67 3HG2 THR 67 -1.840 -20.555 -9.976 526 HG22 THR 67 1HG2 THR 67 -1.879 -18.929 -9.296 527 HG23 THR 67 2HG2 THR 67 -0.503 -19.444 -10.272 528 H ASP 68 H ASP 68 0.031 -18.354 -12.430 529 HA ASP 68 HA ASP 68 0.624 -16.416 -14.359 530 HB2 ASP 68 2HB ASP 68 1.502 -19.290 -14.567 531 HB3 ASP 68 3HB ASP 68 2.368 -17.843 -15.077 532 H VAL 69 H VAL 69 -1.350 -19.293 -14.508 533 HA VAL 69 HA VAL 69 -1.532 -19.468 -17.334 534 HB VAL 69 HB VAL 69 -3.423 -20.472 -15.203 535 HG11 VAL 69 1HG1 VAL 69 -4.590 -20.267 -17.315 536 HG12 VAL 69 2HG1 VAL 69 -3.289 -21.122 -18.146 537 HG13 VAL 69 3HG1 VAL 69 -4.287 -21.967 -16.961 538 HG21 VAL 69 3HG2 VAL 69 -1.040 -21.643 -16.587 539 HG22 VAL 69 1HG2 VAL 69 -1.428 -21.613 -14.867 540 HG23 VAL 69 2HG2 VAL 69 -2.313 -22.685 -15.953 541 H ASP 70 H ASP 70 -3.720 -18.098 -14.883 542 HA ASP 70 HA ASP 70 -5.666 -17.156 -16.672 543 HB2 ASP 70 2HB ASP 70 -5.833 -17.381 -14.134 544 HB3 ASP 70 3HB ASP 70 -4.987 -15.838 -14.046 545 H VAL 71 H VAL 71 -2.771 -15.614 -15.347 546 HA VAL 71 HA VAL 71 -3.222 -13.058 -16.466 547 HB VAL 71 HB VAL 71 -0.649 -14.396 -15.627 548 HG11 VAL 71 1HG1 VAL 71 -1.212 -11.634 -16.635 549 HG12 VAL 71 2HG1 VAL 71 0.107 -11.928 -15.501 550 HG13 VAL 71 3HG1 VAL 71 0.095 -12.735 -17.069 551 HG21 VAL 71 3HG2 VAL 71 -2.805 -13.308 -14.156 552 HG22 VAL 71 1HG2 VAL 71 -1.259 -13.903 -13.551 553 HG23 VAL 71 2HG2 VAL 71 -1.441 -12.204 -13.987 554 H GLN 72 H GLN 72 -1.508 -15.918 -17.635 555 HA GLN 72 HA GLN 72 -0.355 -14.749 -19.917 556 HB2 GLN 72 2HB GLN 72 0.345 -16.927 -19.019 557 HB3 GLN 72 3HB GLN 72 -1.206 -17.617 -19.479 558 HG2 GLN 72 2HG GLN 72 0.183 -16.316 -21.685 559 HG3 GLN 72 3HG GLN 72 1.076 -17.663 -20.982 560 HE21 GLN 72 1HE2 GLN 72 -0.331 -19.644 -20.574 561 HE22 GLN 72 2HE2 GLN 72 -1.405 -20.086 -21.853 562 H ASN 73 H ASN 73 -3.407 -16.521 -19.495 563 HA ASN 73 HA ASN 73 -4.229 -16.385 -22.182 564 HB2 ASN 73 2HB ASN 73 -6.099 -16.444 -19.814 565 HB3 ASN 73 3HB ASN 73 -6.362 -17.115 -21.421 566 HD21 ASN 73 1HD2 ASN 73 -6.657 -18.530 -19.008 567 HD22 ASN 73 2HD2 ASN 73 -5.482 -19.796 -18.983 568 H ASP 74 H ASP 74 -4.913 -14.283 -19.408 569 HA ASP 74 HA ASP 74 -6.685 -12.532 -20.680 570 HB2 ASP 74 2HB ASP 74 -6.068 -12.715 -18.181 571 HB3 ASP 74 3HB ASP 74 -4.734 -11.633 -18.572 572 H VAL 75 H VAL 75 -3.154 -12.403 -20.370 573 HA VAL 75 HA VAL 75 -2.791 -9.926 -21.658 574 HB VAL 75 HB VAL 75 -0.911 -12.277 -21.420 575 HG11 VAL 75 1HG1 VAL 75 0.266 -11.209 -23.003 576 HG12 VAL 75 2HG1 VAL 75 -0.654 -9.714 -22.818 577 HG13 VAL 75 3HG1 VAL 75 0.670 -10.079 -21.711 578 HG21 VAL 75 3HG2 VAL 75 -0.349 -9.846 -19.908 579 HG22 VAL 75 1HG2 VAL 75 -1.874 -10.613 -19.462 580 HG23 VAL 75 2HG2 VAL 75 -0.369 -11.530 -19.381 581 H ALA 76 H ALA 76 -2.823 -13.245 -22.893 582 HA ALA 76 HA ALA 76 -2.073 -12.679 -25.535 583 HB1 ALA 76 1HB ALA 76 -3.510 -14.841 -25.956 584 HB2 ALA 76 2HB ALA 76 -1.976 -14.921 -25.088 585 HB3 ALA 76 3HB ALA 76 -3.497 -14.923 -24.194 586 H ARG 77 H ARG 77 -5.246 -12.729 -23.972 587 HA ARG 77 HA ARG 77 -6.731 -12.288 -26.357 588 HB2 ARG 77 2HB ARG 77 -7.280 -12.656 -23.557 589 HB3 ARG 77 3HB ARG 77 -8.206 -11.292 -24.170 590 HG2 ARG 77 2HG ARG 77 -9.616 -13.111 -24.477 591 HG3 ARG 77 3HG ARG 77 -8.898 -12.864 -26.070 592 HD2 ARG 77 2HD ARG 77 -7.173 -14.597 -25.405 593 HD3 ARG 77 3HD ARG 77 -8.206 -14.956 -24.022 594 HE ARG 77 HE ARG 77 -9.831 -15.105 -26.244 595 HH11 ARG 77 1HH1 ARG 77 -6.956 -16.693 -25.089 596 HH12 ARG 77 2HH1 ARG 77 -7.309 -18.193 -25.882 597 HH21 ARG 77 1HH2 ARG 77 -10.306 -17.075 -27.292 598 HH22 ARG 77 2HH2 ARG 77 -9.214 -18.409 -27.135 599 H MET 78 H MET 78 -5.311 -10.187 -23.920 600 HA MET 78 HA MET 78 -6.562 -7.790 -24.732 601 HB2 MET 78 2HB MET 78 -3.926 -8.252 -23.329 602 HB3 MET 78 3HB MET 78 -4.685 -6.678 -23.519 603 HG2 MET 78 2HG MET 78 -6.580 -8.486 -22.401 604 HG3 MET 78 3HG MET 78 -5.081 -8.580 -21.481 605 HE1 MET 78 3HE MET 78 -6.979 -6.579 -19.104 606 HE2 MET 78 1HE MET 78 -6.126 -8.053 -19.565 607 HE3 MET 78 2HE MET 78 -5.215 -6.616 -19.101 608 H ILE 79 H ILE 79 -3.420 -9.221 -25.569 609 HA ILE 79 HA ILE 79 -2.635 -7.129 -27.317 610 HB ILE 79 HB ILE 79 -0.934 -8.711 -28.146 611 HG12 ILE 79 2HG1 ILE 79 -2.407 -10.669 -26.374 612 HG13 ILE 79 3HG1 ILE 79 -2.184 -10.778 -28.117 613 HG21 ILE 79 1HG2 ILE 79 -0.607 -7.399 -26.070 614 HG22 ILE 79 2HG2 ILE 79 -1.188 -8.781 -25.144 615 HG23 ILE 79 3HG2 ILE 79 0.296 -8.913 -26.088 616 HD11 ILE 79 3HD1 ILE 79 0.389 -10.627 -27.163 617 HD12 ILE 79 1HD1 ILE 79 -0.439 -11.614 -25.959 618 HD13 ILE 79 2HD1 ILE 79 -0.458 -12.093 -27.656 619 H THR 80 H THR 80 -4.351 -10.168 -27.781 620 HA THR 80 HA THR 80 -4.302 -10.217 -30.595 621 HB THR 80 HB THR 80 -6.336 -11.376 -28.682 622 HG1 THR 80 HG1 THR 80 -4.427 -12.861 -30.121 623 HG21 THR 80 3HG2 THR 80 -7.561 -11.570 -30.579 624 HG22 THR 80 1HG2 THR 80 -6.491 -12.941 -30.869 625 HG23 THR 80 2HG2 THR 80 -6.158 -11.385 -31.631 626 H ASN 81 H ASN 81 -6.707 -8.925 -28.318 627 HA ASN 81 HA ASN 81 -8.487 -8.003 -30.328 628 HB2 ASN 81 2HB ASN 81 -8.180 -7.417 -27.391 629 HB3 ASN 81 3HB ASN 81 -9.367 -6.563 -28.374 630 HD21 ASN 81 1HD2 ASN 81 -9.023 -9.026 -26.310 631 HD22 ASN 81 2HD2 ASN 81 -10.301 -10.061 -26.842 632 H ALA 82 H ALA 82 -6.026 -6.375 -28.350 633 HA ALA 82 HA ALA 82 -6.402 -3.781 -29.302 634 HB1 ALA 82 1HB ALA 82 -4.185 -3.302 -28.471 635 HB2 ALA 82 2HB ALA 82 -5.020 -4.372 -27.344 636 HB3 ALA 82 3HB ALA 82 -3.795 -5.022 -28.433 637 H LEU 83 H LEU 83 -4.512 -6.452 -30.614 638 HA LEU 83 HA LEU 83 -3.255 -4.910 -32.659 639 HB2 LEU 83 2HB LEU 83 -2.080 -6.825 -32.151 640 HB3 LEU 83 3HB LEU 83 -3.535 -7.813 -32.042 641 HG LEU 83 HG LEU 83 -2.798 -6.756 -34.716 642 HD11 LEU 83 1HD1 LEU 83 -1.300 -8.958 -33.310 643 HD12 LEU 83 2HD1 LEU 83 -0.638 -7.461 -33.966 644 HD13 LEU 83 3HD1 LEU 83 -1.276 -8.694 -35.054 645 HD21 LEU 83 3HD2 LEU 83 -3.410 -9.549 -34.544 646 HD22 LEU 83 1HD2 LEU 83 -4.309 -8.256 -35.338 647 HD23 LEU 83 2HD2 LEU 83 -4.604 -8.619 -33.638 648 H GLU 84 H GLU 84 -6.065 -7.070 -32.562 649 HA GLU 84 HA GLU 84 -6.663 -6.886 -35.325 650 HB2 GLU 84 2HB GLU 84 -7.594 -8.728 -34.187 651 HB3 GLU 84 3HB GLU 84 -8.252 -7.715 -32.910 652 HG2 GLU 84 2HG GLU 84 -9.947 -6.866 -34.343 653 HG3 GLU 84 3HG GLU 84 -9.203 -7.609 -35.758 654 H TYR 85 H TYR 85 -7.382 -4.879 -32.581 655 HA TYR 85 HA TYR 85 -9.409 -3.358 -33.994 656 HB2 TYR 85 2HB TYR 85 -9.786 -3.658 -31.648 657 HB3 TYR 85 3HB TYR 85 -8.172 -3.079 -31.252 658 HD1 TYR 85 HD1 TYR 85 -11.161 -1.845 -33.142 659 HD2 TYR 85 HD2 TYR 85 -8.063 -0.961 -30.362 660 HE1 TYR 85 HE1 TYR 85 -12.048 0.434 -32.887 661 HE2 TYR 85 HE2 TYR 85 -8.942 1.320 -30.099 662 HH TYR 85 HH TYR 85 -10.807 2.814 -32.102 663 H ASN 86 H ASN 86 -6.054 -3.007 -32.978 664 HA ASN 86 HA ASN 86 -5.860 -0.285 -33.894 665 HB2 ASN 86 2HB ASN 86 -4.491 -1.137 -32.013 666 HB3 ASN 86 3HB ASN 86 -3.663 -2.220 -33.128 667 HD21 ASN 86 1HD2 ASN 86 -1.691 -1.490 -33.432 668 HD22 ASN 86 2HD2 ASN 86 -1.251 0.151 -33.746 669 H ALA 87 H ALA 87 -5.658 -3.365 -35.326 670 HA ALA 87 HA ALA 87 -3.809 -2.814 -37.404 671 HB1 ALA 87 1HB ALA 87 -4.860 -4.794 -38.513 672 HB2 ALA 87 2HB ALA 87 -4.285 -5.089 -36.872 673 HB3 ALA 87 3HB ALA 87 -6.007 -4.860 -37.175 674 H LYS 88 H LYS 88 -4.266 -0.895 -38.430 675 HA LYS 88 HA LYS 88 -6.007 -0.928 -40.607 676 HB2 LYS 88 2HB LYS 88 -7.438 -0.496 -38.289 677 HB3 LYS 88 3HB LYS 88 -7.158 1.136 -38.881 678 HG2 LYS 88 2HG LYS 88 -7.972 0.082 -41.155 679 HG3 LYS 88 3HG LYS 88 -8.752 -1.070 -40.068 680 HD2 LYS 88 2HD LYS 88 -10.415 0.420 -39.941 681 HD3 LYS 88 3HD LYS 88 -9.331 1.361 -38.915 682 HE2 LYS 88 2HE LYS 88 -10.002 2.893 -40.530 683 HE3 LYS 88 3HE LYS 88 -8.439 2.337 -41.125 684 HZ1 LYS 88 3HZ LYS 88 -11.085 1.346 -42.039 685 HZ2 LYS 88 1HZ LYS 88 -9.583 0.818 -42.613 686 HZ3 LYS 88 2HZ LYS 88 -10.083 2.410 -42.891 687 H GLY 89 H GLY 89 -3.327 -0.152 -39.876 688 HA2 GLY 89 2HA GLY 89 -3.344 2.506 -41.086 689 HA3 GLY 89 3HA GLY 89 -2.569 2.357 -39.516 690 H SER 90 H SER 90 -2.335 -0.435 -41.440 691 HA SER 90 HA SER 90 -0.617 -1.437 -42.546 692 HB2 SER 90 2HB SER 90 -0.776 0.363 -44.160 693 HB3 SER 90 3HB SER 90 0.166 1.430 -43.119 694 HG SER 90 HG SER 90 1.962 0.168 -43.474 695 H THR 91 H THR 91 1.229 1.405 -41.540 696 HA THR 91 HA THR 91 3.341 -0.132 -40.465 697 HB THR 91 HB THR 91 2.940 2.681 -39.552 698 HG1 THR 91 HG1 THR 91 3.885 3.229 -41.725 699 HG21 THR 91 3HG2 THR 91 5.445 2.110 -40.811 700 HG22 THR 91 1HG2 THR 91 5.061 0.819 -39.673 701 HG23 THR 91 2HG2 THR 91 5.117 2.493 -39.122 702 H TRP 92 H TRP 92 0.552 1.455 -39.006 703 HA TRP 92 HA TRP 92 1.249 1.286 -36.324 704 HB2 TRP 92 2HB TRP 92 -1.186 1.680 -37.858 705 HB3 TRP 92 3HB TRP 92 -1.491 0.763 -36.385 706 HD1 TRP 92 HD1 TRP 92 -1.608 2.097 -34.170 707 HE1 TRP 92 HE1 TRP 92 -1.259 4.563 -33.521 708 HE3 TRP 92 HE3 TRP 92 0.336 3.827 -38.570 709 HZ2 TRP 92 HZ2 TRP 92 -0.289 6.929 -34.716 710 HZ3 TRP 92 HZ3 TRP 92 0.949 6.204 -38.735 711 HH2 TRP 92 HH2 TRP 92 0.641 7.722 -36.847 712 H TYR 93 H TYR 93 -0.481 -1.100 -38.317 713 HA TYR 93 HA TYR 93 -0.912 -3.026 -36.363 714 HB2 TYR 93 2HB TYR 93 -1.986 -3.264 -38.482 715 HB3 TYR 93 3HB TYR 93 -0.446 -3.297 -39.333 716 HD1 TYR 93 HD1 TYR 93 -2.297 -5.194 -36.697 717 HD2 TYR 93 HD2 TYR 93 0.402 -5.346 -39.983 718 HE1 TYR 93 HE1 TYR 93 -2.285 -7.650 -36.567 719 HE2 TYR 93 HE2 TYR 93 0.420 -7.802 -39.862 720 HH TYR 93 HH TYR 93 -1.136 -9.524 -37.242 721 H GLN 94 H GLN 94 1.839 -2.721 -38.601 722 HA GLN 94 HA GLN 94 3.284 -4.939 -37.745 723 HB2 GLN 94 2HB GLN 94 3.711 -2.718 -39.461 724 HB3 GLN 94 3HB GLN 94 5.104 -2.833 -38.393 725 HG2 GLN 94 2HG GLN 94 5.277 -5.247 -39.026 726 HG3 GLN 94 3HG GLN 94 4.032 -4.949 -40.238 727 HE21 GLN 94 1HE2 GLN 94 7.125 -5.478 -40.064 728 HE22 GLN 94 2HE2 GLN 94 7.740 -4.423 -41.285 729 H GLU 95 H GLU 95 3.284 -1.619 -36.520 730 HA GLU 95 HA GLU 95 5.384 -1.893 -34.683 731 HB2 GLU 95 2HB GLU 95 4.296 0.257 -35.418 732 HB3 GLU 95 3HB GLU 95 2.957 -0.130 -34.347 733 HG2 GLU 95 2HG GLU 95 4.668 1.460 -33.433 734 HG3 GLU 95 3HG GLU 95 4.304 0.061 -32.425 735 H ALA 96 H ALA 96 1.886 -2.344 -34.275 736 HA ALA 96 HA ALA 96 1.920 -2.942 -31.535 737 HB1 ALA 96 1HB ALA 96 -0.005 -3.787 -33.694 738 HB2 ALA 96 2HB ALA 96 -0.278 -4.027 -31.968 739 HB3 ALA 96 3HB ALA 96 -0.145 -2.394 -32.620 740 H MET 97 H MET 97 2.216 -5.031 -34.379 741 HA MET 97 HA MET 97 2.230 -7.478 -32.961 742 HB2 MET 97 2HB MET 97 1.750 -7.440 -35.330 743 HB3 MET 97 3HB MET 97 3.332 -6.755 -35.680 744 HG2 MET 97 2HG MET 97 3.249 -9.123 -36.217 745 HG3 MET 97 3HG MET 97 4.407 -8.796 -34.929 746 HE1 MET 97 3HE MET 97 3.500 -12.141 -34.660 747 HE2 MET 97 1HE MET 97 1.806 -12.061 -35.145 748 HE3 MET 97 2HE MET 97 3.039 -11.254 -36.114 749 H SER 98 H SER 98 4.759 -5.226 -33.911 750 HA SER 98 HA SER 98 6.959 -6.886 -33.270 751 HB2 SER 98 2HB SER 98 7.377 -5.009 -34.676 752 HB3 SER 98 3HB SER 98 6.668 -3.890 -33.513 753 HG SER 98 HG SER 98 9.177 -4.477 -33.728 754 H PHE 99 H PHE 99 5.172 -4.447 -31.427 755 HA PHE 99 HA PHE 99 6.810 -4.597 -29.113 756 HB2 PHE 99 2HB PHE 99 4.064 -3.507 -29.665 757 HB3 PHE 99 3HB PHE 99 4.698 -3.556 -28.023 758 HD1 PHE 99 HD1 PHE 99 7.443 -2.813 -28.250 759 HD2 PHE 99 HD2 PHE 99 4.093 -1.345 -30.428 760 HE1 PHE 99 HE1 PHE 99 8.632 -0.696 -28.646 761 HE2 PHE 99 HE2 PHE 99 5.278 0.774 -30.828 762 HZ PHE 99 HZ PHE 99 7.550 1.101 -29.938 763 H ARG 100 H ARG 100 3.880 -6.255 -30.142 764 HA ARG 100 HA ARG 100 3.360 -7.545 -27.669 765 HB2 ARG 100 2HB ARG 100 1.561 -7.369 -29.214 766 HB3 ARG 100 3HB ARG 100 2.499 -8.117 -30.500 767 HG2 ARG 100 2HG ARG 100 2.037 -9.723 -28.058 768 HG3 ARG 100 3HG ARG 100 0.655 -9.432 -29.116 769 HD2 ARG 100 2HD ARG 100 2.239 -10.178 -31.011 770 HD3 ARG 100 3HD ARG 100 3.226 -10.849 -29.714 771 HE ARG 100 HE ARG 100 0.603 -11.738 -29.358 772 HH11 ARG 100 1HH1 ARG 100 3.230 -12.099 -31.614 773 HH12 ARG 100 2HH1 ARG 100 2.764 -13.695 -32.103 774 HH21 ARG 100 1HH2 ARG 100 -0.021 -13.838 -29.993 775 HH22 ARG 100 2HH2 ARG 100 0.913 -14.683 -31.181 776 H LYS 101 H LYS 101 5.523 -8.183 -30.289 777 HA LYS 101 HA LYS 101 5.917 -10.955 -29.834 778 HB2 LYS 101 2HB LYS 101 7.206 -8.828 -31.419 779 HB3 LYS 101 3HB LYS 101 8.269 -10.144 -30.939 780 HG2 LYS 101 2HG LYS 101 6.909 -11.753 -32.042 781 HG3 LYS 101 3HG LYS 101 5.636 -10.565 -32.329 782 HD2 LYS 101 2HD LYS 101 6.853 -10.883 -34.373 783 HD3 LYS 101 3HD LYS 101 7.240 -9.282 -33.738 784 HE2 LYS 101 2HE LYS 101 9.287 -10.317 -32.696 785 HE3 LYS 101 3HE LYS 101 8.928 -11.774 -33.620 786 HZ1 LYS 101 3HZ LYS 101 9.497 -9.081 -34.735 787 HZ2 LYS 101 1HZ LYS 101 9.059 -10.432 -35.654 788 HZ3 LYS 101 2HZ LYS 101 10.516 -10.429 -34.795 789 H THR 102 H THR 102 7.002 -8.130 -28.216 790 HA THR 102 HA THR 102 9.019 -9.689 -26.742 791 HB THR 102 HB THR 102 9.912 -7.675 -27.836 792 HG1 THR 102 HG1 THR 102 9.783 -7.388 -25.001 793 HG21 THR 102 3HG2 THR 102 8.006 -6.232 -27.885 794 HG22 THR 102 1HG2 THR 102 9.235 -5.446 -26.896 795 HG23 THR 102 2HG2 THR 102 7.870 -6.257 -26.127 796 H TYR 103 H TYR 103 6.052 -7.930 -26.489 797 HA TYR 103 HA TYR 103 6.064 -7.435 -23.709 798 HB2 TYR 103 2HB TYR 103 4.488 -6.217 -24.969 799 HB3 TYR 103 3HB TYR 103 3.871 -7.665 -25.758 800 HD1 TYR 103 HD2 TYR 103 4.462 -7.129 -22.128 801 HD2 TYR 103 HD1 TYR 103 1.588 -7.600 -25.230 802 HE1 TYR 103 HE2 TYR 103 2.677 -7.282 -20.443 803 HE2 TYR 103 HE1 TYR 103 -0.205 -7.753 -23.553 804 HH TYR 103 HH TYR 103 -0.722 -7.469 -21.379 805 H LEU 104 H LEU 104 4.507 -10.022 -25.602 806 HA LEU 104 HA LEU 104 3.644 -11.472 -23.315 807 HB2 LEU 104 2HB LEU 104 2.935 -13.146 -24.818 808 HB3 LEU 104 3HB LEU 104 2.665 -11.602 -25.624 809 HG LEU 104 HG LEU 104 5.112 -12.245 -26.587 810 HD11 LEU 104 1HD1 LEU 104 4.607 -14.732 -27.313 811 HD12 LEU 104 2HD1 LEU 104 3.770 -14.763 -25.762 812 HD13 LEU 104 3HD1 LEU 104 5.486 -14.362 -25.829 813 HD21 LEU 104 3HD2 LEU 104 2.892 -11.614 -27.720 814 HD22 LEU 104 1HD2 LEU 104 2.637 -13.354 -27.864 815 HD23 LEU 104 2HD2 LEU 104 4.040 -12.603 -28.624 816 H ASP 105 H ASP 105 6.510 -11.574 -25.339 817 HA ASP 105 HA ASP 105 7.556 -14.021 -24.407 818 HB2 ASP 105 2HB ASP 105 8.270 -12.346 -26.378 819 HB3 ASP 105 3HB ASP 105 9.446 -11.855 -25.161 820 H LEU 106 H LEU 106 7.847 -10.709 -23.238 821 HA LEU 106 HA LEU 106 9.640 -11.534 -21.098 822 HB2 LEU 106 2HB LEU 106 8.680 -8.942 -22.191 823 HB3 LEU 106 3HB LEU 106 9.214 -8.989 -20.513 824 HG LEU 106 HG LEU 106 10.987 -8.228 -22.015 825 HD11 LEU 106 1HD1 LEU 106 12.073 -10.845 -21.299 826 HD12 LEU 106 2HD1 LEU 106 11.201 -10.045 -19.991 827 HD13 LEU 106 3HD1 LEU 106 12.555 -9.231 -20.776 828 HD21 LEU 106 3HD2 LEU 106 10.344 -9.397 -24.036 829 HD22 LEU 106 1HD2 LEU 106 10.693 -10.951 -23.278 830 HD23 LEU 106 2HD2 LEU 106 12.002 -9.815 -23.601 831 H ALA 107 H ALA 107 6.367 -11.503 -21.619 832 HA ALA 107 HA ALA 107 5.756 -11.067 -18.772 833 HB1 ALA 107 1HB ALA 107 4.037 -10.841 -21.228 834 HB2 ALA 107 2HB ALA 107 3.370 -10.885 -19.595 835 HB3 ALA 107 3HB ALA 107 4.460 -9.581 -20.068 836 H ARG 108 H ARG 108 6.927 -13.500 -19.729 837 HA ARG 108 HA ARG 108 5.244 -15.383 -18.493 838 HB2 ARG 108 2HB ARG 108 4.155 -14.965 -20.830 839 HB3 ARG 108 3HB ARG 108 5.475 -15.963 -21.426 840 HG2 ARG 108 2HG ARG 108 3.622 -17.392 -21.108 841 HG3 ARG 108 3HG ARG 108 4.749 -17.723 -19.790 842 HD2 ARG 108 2HD ARG 108 3.331 -15.938 -18.517 843 HD3 ARG 108 3HD ARG 108 2.111 -16.323 -19.730 844 HE ARG 108 HE ARG 108 1.703 -18.256 -18.601 845 HH11 ARG 108 1HH1 ARG 108 4.914 -17.172 -17.802 846 HH12 ARG 108 2HH1 ARG 108 5.189 -18.428 -16.640 847 HH21 ARG 108 1HH2 ARG 108 2.054 -19.914 -17.075 848 HH22 ARG 108 2HH2 ARG 108 3.562 -19.988 -16.229 849 H GLN 109 H GLN 109 7.413 -15.543 -21.323 850 HA GLN 109 HA GLN 109 8.853 -17.768 -20.360 851 HB2 GLN 109 2HB GLN 109 8.847 -17.315 -22.712 852 HB3 GLN 109 3HB GLN 109 9.509 -15.705 -22.463 853 HG2 GLN 109 2HG GLN 109 11.614 -16.643 -21.736 854 HG3 GLN 109 3HG GLN 109 10.958 -18.274 -21.866 855 HE21 GLN 109 1HE2 GLN 109 13.226 -16.887 -23.214 856 HE22 GLN 109 2HE2 GLN 109 12.947 -17.118 -24.902 857 H SER 110 H SER 110 9.114 -14.382 -19.750 858 HA SER 110 HA SER 110 11.827 -14.310 -18.928 859 HB2 SER 110 2HB SER 110 11.079 -12.175 -19.310 860 HB3 SER 110 3HB SER 110 9.466 -12.512 -18.680 861 HG SER 110 HG SER 110 11.831 -12.179 -17.143 862 H GLY 111 H GLY 111 8.887 -15.315 -17.390 863 HA2 GLY 111 2HA GLY 111 10.105 -15.302 -14.736 864 HA3 GLY 111 3HA GLY 111 8.438 -15.711 -15.114 Start of MODEL 9 1 H1 MET 1 H MET 1 1.530 -5.819 6.305 2 HA MET 1 HA MET 1 1.155 -6.468 3.833 3 HB2 MET 1 2HB MET 1 2.843 -3.995 3.753 4 HB3 MET 1 3HB MET 1 3.033 -5.218 2.504 5 HG2 MET 1 2HG MET 1 1.026 -4.771 1.561 6 HG3 MET 1 3HG MET 1 0.279 -4.331 3.095 7 HE1 MET 1 3HE MET 1 -0.630 -2.344 3.361 8 HE2 MET 1 1HE MET 1 -0.182 -0.777 2.686 9 HE3 MET 1 2HE MET 1 -0.921 -2.001 1.654 10 H SER 2 H SER 2 1.960 -8.407 4.489 11 HA SER 2 HA SER 2 4.667 -8.995 4.022 12 HB2 SER 2 2HB SER 2 3.928 -8.329 6.816 13 HB3 SER 2 3HB SER 2 4.920 -9.770 6.593 14 HG SER 2 HG SER 2 5.640 -7.426 5.245 15 H LYS 3 H LYS 3 2.531 -10.233 6.580 16 HA LYS 3 HA LYS 3 2.599 -12.858 5.290 17 HB2 LYS 3 2HB LYS 3 1.645 -13.665 7.447 18 HB3 LYS 3 3HB LYS 3 3.207 -12.875 7.618 19 HG2 LYS 3 2HG LYS 3 0.837 -11.150 7.944 20 HG3 LYS 3 3HG LYS 3 1.105 -12.365 9.197 21 HD2 LYS 3 2HD LYS 3 3.606 -11.373 8.923 22 HD3 LYS 3 3HD LYS 3 2.648 -9.941 8.539 23 HE2 LYS 3 2HE LYS 3 2.022 -11.594 10.956 24 HE3 LYS 3 3HE LYS 3 3.318 -10.400 11.000 25 HZ1 LYS 3 3HZ LYS 3 1.837 -8.786 11.227 26 HZ2 LYS 3 1HZ LYS 3 0.617 -9.950 11.364 27 HZ3 LYS 3 2HZ LYS 3 0.983 -9.282 9.854 28 H ASN 4 H ASN 4 1.116 -11.583 3.675 29 HA ASN 4 HA ASN 4 -1.432 -12.723 3.798 30 HB2 ASN 4 2HB ASN 4 -1.193 -10.205 5.203 31 HB3 ASN 4 3HB ASN 4 -2.322 -10.062 3.859 32 HD21 ASN 4 1HD2 ASN 4 -2.772 -10.044 6.758 33 HD22 ASN 4 2HD2 ASN 4 -3.918 -11.301 7.060 34 H GLU 5 H GLU 5 0.135 -9.718 2.690 35 HA GLU 5 HA GLU 5 -1.216 -9.492 0.259 36 HB2 GLU 5 2HB GLU 5 0.815 -8.161 -0.461 37 HB3 GLU 5 3HB GLU 5 0.022 -7.619 1.011 38 HG2 GLU 5 2HG GLU 5 1.725 -8.490 2.376 39 HG3 GLU 5 3HG GLU 5 2.402 -9.443 1.057 40 H ARG 6 H ARG 6 1.292 -11.639 1.235 41 HA ARG 6 HA ARG 6 2.348 -13.358 0.185 42 HB2 ARG 6 2HB ARG 6 -0.185 -13.321 -0.882 43 HB3 ARG 6 3HB ARG 6 0.827 -13.248 -2.318 44 HG2 ARG 6 2HG ARG 6 0.783 -15.483 -2.145 45 HG3 ARG 6 3HG ARG 6 2.064 -15.219 -0.960 46 HD2 ARG 6 2HD ARG 6 -0.683 -15.023 0.077 47 HD3 ARG 6 3HD ARG 6 -0.198 -16.625 -0.478 48 HE ARG 6 HE ARG 6 1.872 -15.855 1.086 49 HH11 ARG 6 1HH1 ARG 6 -1.573 -15.999 1.568 50 HH12 ARG 6 2HH1 ARG 6 -1.453 -16.298 3.271 51 HH21 ARG 6 1HH2 ARG 6 2.042 -16.249 3.326 52 HH22 ARG 6 2HH2 ARG 6 0.603 -16.439 4.270 53 H ASP 7 H ASP 7 3.711 -13.903 -1.716 54 HA ASP 7 HA ASP 7 4.442 -11.582 -3.348 55 HB2 ASP 7 2HB ASP 7 5.898 -11.858 -1.225 56 HB3 ASP 7 3HB ASP 7 6.585 -13.250 -2.057 57 H THR 8 H THR 8 3.069 -14.171 -3.813 58 HA THR 8 HA THR 8 4.559 -14.926 -6.175 59 HB THR 8 HB THR 8 4.254 -17.423 -5.513 60 HG1 THR 8 HG1 THR 8 3.968 -17.835 -3.429 61 HG21 THR 8 3HG2 THR 8 6.421 -15.974 -4.021 62 HG22 THR 8 1HG2 THR 8 6.409 -16.049 -5.782 63 HG23 THR 8 2HG2 THR 8 6.496 -17.535 -4.837 64 H SER 9 H SER 9 1.917 -13.783 -5.353 65 HA SER 9 HA SER 9 0.169 -15.784 -6.629 66 HB2 SER 9 2HB SER 9 -0.166 -14.476 -4.185 67 HB3 SER 9 3HB SER 9 -1.251 -13.631 -5.289 68 HG SER 9 HG SER 9 -1.542 -16.048 -4.170 69 H PHE 10 H PHE 10 1.411 -12.559 -6.736 70 HA PHE 10 HA PHE 10 -0.237 -12.018 -9.119 71 HB2 PHE 10 2HB PHE 10 0.148 -9.586 -8.598 72 HB3 PHE 10 3HB PHE 10 -0.847 -10.440 -7.423 73 HD1 PHE 10 HD2 PHE 10 2.602 -9.239 -8.058 74 HD2 PHE 10 HD1 PHE 10 -0.270 -10.464 -5.165 75 HE1 PHE 10 HE2 PHE 10 4.109 -8.505 -6.257 76 HE2 PHE 10 HE1 PHE 10 1.231 -9.731 -3.359 77 HZ PHE 10 HZ PHE 10 3.424 -8.751 -3.904 78 H ASN 11 H ASN 11 0.762 -11.205 -10.940 79 HA ASN 11 HA ASN 11 3.690 -11.435 -10.953 80 HB2 ASN 11 2HB ASN 11 2.038 -12.769 -12.528 81 HB3 ASN 11 3HB ASN 11 2.083 -11.281 -13.469 82 HD21 ASN 11 1HD2 ASN 11 3.538 -11.264 -15.006 83 HD22 ASN 11 2HD2 ASN 11 5.043 -12.113 -15.002 84 H LYS 12 H LYS 12 3.895 -9.286 -10.040 85 HA LYS 12 HA LYS 12 2.897 -6.938 -11.104 86 HB2 LYS 12 2HB LYS 12 5.657 -7.322 -9.931 87 HB3 LYS 12 3HB LYS 12 4.768 -5.808 -10.037 88 HG2 LYS 12 2HG LYS 12 2.982 -7.133 -8.640 89 HG3 LYS 12 3HG LYS 12 4.383 -8.113 -8.199 90 HD2 LYS 12 2HD LYS 12 4.263 -6.457 -6.539 91 HD3 LYS 12 3HD LYS 12 5.533 -5.904 -7.634 92 HE2 LYS 12 2HE LYS 12 3.183 -4.842 -8.678 93 HE3 LYS 12 3HE LYS 12 3.020 -4.654 -6.933 94 HZ1 LYS 12 3HZ LYS 12 5.194 -3.624 -8.664 95 HZ2 LYS 12 1HZ LYS 12 5.294 -3.646 -6.975 96 HZ3 LYS 12 2HZ LYS 12 4.095 -2.730 -7.739 97 H ASN 13 H ASN 13 5.570 -8.919 -12.205 98 HA ASN 13 HA ASN 13 6.819 -7.130 -13.938 99 HB2 ASN 13 2HB ASN 13 7.756 -9.328 -13.348 100 HB3 ASN 13 3HB ASN 13 6.484 -10.119 -14.273 101 HD21 ASN 13 1HD2 ASN 13 6.673 -10.299 -16.440 102 HD22 ASN 13 2HD2 ASN 13 8.042 -9.751 -17.341 103 H GLY 14 H GLY 14 3.938 -9.101 -14.369 104 HA2 GLY 14 2HA GLY 14 3.672 -8.693 -17.167 105 HA3 GLY 14 3HA GLY 14 2.399 -9.215 -16.073 106 H CYS 15 H CYS 15 2.473 -6.932 -14.355 107 HA CYS 15 HA CYS 15 0.755 -5.207 -15.823 108 HB2 CYS 15 2HB CYS 15 0.748 -5.734 -13.294 109 HB3 CYS 15 3HB CYS 15 1.999 -4.502 -13.176 110 HG CYS 15 HG CYS 15 -0.604 -3.539 -12.441 111 H LEU 16 H LEU 16 4.050 -4.858 -14.555 112 HA LEU 16 HA LEU 16 4.436 -2.196 -15.394 113 HB2 LEU 16 2HB LEU 16 5.911 -3.037 -13.769 114 HB3 LEU 16 3HB LEU 16 6.315 -4.445 -14.748 115 HG LEU 16 HG LEU 16 7.063 -1.961 -16.051 116 HD11 LEU 16 1HD1 LEU 16 9.020 -1.612 -14.467 117 HD12 LEU 16 2HD1 LEU 16 8.079 -2.516 -13.281 118 HD13 LEU 16 3HD1 LEU 16 7.449 -1.008 -13.942 119 HD21 LEU 16 3HD2 LEU 16 9.261 -3.173 -16.108 120 HD22 LEU 16 1HD2 LEU 16 7.907 -4.043 -16.829 121 HD23 LEU 16 2HD2 LEU 16 8.482 -4.484 -15.221 122 H VAL 17 H VAL 17 5.248 -5.292 -16.928 123 HA VAL 17 HA VAL 17 6.456 -4.158 -19.227 124 HB VAL 17 HB VAL 17 6.752 -6.530 -18.442 125 HG11 VAL 17 1HG1 VAL 17 4.084 -6.939 -19.790 126 HG12 VAL 17 2HG1 VAL 17 5.122 -8.195 -19.112 127 HG13 VAL 17 3HG1 VAL 17 4.367 -7.005 -18.051 128 HG21 VAL 17 3HG2 VAL 17 6.099 -5.826 -21.278 129 HG22 VAL 17 1HG2 VAL 17 7.673 -6.098 -20.529 130 HG23 VAL 17 2HG2 VAL 17 6.601 -7.461 -20.851 131 H PHE 18 H PHE 18 3.161 -5.061 -18.419 132 HA PHE 18 HA PHE 18 2.070 -4.916 -21.013 133 HB2 PHE 18 2HB PHE 18 0.808 -5.995 -19.285 134 HB3 PHE 18 3HB PHE 18 0.823 -4.543 -18.288 135 HD1 PHE 18 HD1 PHE 18 -0.065 -5.251 -21.845 136 HD2 PHE 18 HD2 PHE 18 -1.269 -3.636 -18.095 137 HE1 PHE 18 HE1 PHE 18 -2.207 -4.556 -22.836 138 HE2 PHE 18 HE2 PHE 18 -3.413 -2.939 -19.080 139 HZ PHE 18 HZ PHE 18 -3.885 -3.400 -21.453 140 H VAL 19 H VAL 19 1.937 -2.524 -18.368 141 HA VAL 19 HA VAL 19 0.818 -0.461 -19.921 142 HB VAL 19 HB VAL 19 0.740 -0.407 -17.486 143 HG11 VAL 19 1HG1 VAL 19 3.154 -1.343 -17.342 144 HG12 VAL 19 2HG1 VAL 19 3.630 0.355 -17.378 145 HG13 VAL 19 3HG1 VAL 19 2.580 -0.241 -16.092 146 HG21 VAL 19 3HG2 VAL 19 0.580 1.700 -18.754 147 HG22 VAL 19 1HG2 VAL 19 1.281 1.933 -17.152 148 HG23 VAL 19 2HG2 VAL 19 2.321 1.921 -18.577 149 H SER 20 H SER 20 4.153 -1.371 -19.247 150 HA SER 20 HA SER 20 5.410 0.912 -20.290 151 HB2 SER 20 2HB SER 20 6.264 -1.919 -19.811 152 HB3 SER 20 3HB SER 20 7.323 -0.842 -20.722 153 HG SER 20 HG SER 20 7.927 -0.122 -18.853 154 H ARG 21 H ARG 21 4.650 -2.205 -21.829 155 HA ARG 21 HA ARG 21 5.629 -1.455 -24.386 156 HB2 ARG 21 2HB ARG 21 3.726 -3.637 -23.526 157 HB3 ARG 21 3HB ARG 21 4.322 -3.456 -25.170 158 HG2 ARG 21 2HG ARG 21 6.038 -3.913 -22.738 159 HG3 ARG 21 3HG ARG 21 5.561 -5.148 -23.905 160 HD2 ARG 21 2HD ARG 21 7.197 -2.683 -24.495 161 HD3 ARG 21 3HD ARG 21 7.818 -4.326 -24.351 162 HE ARG 21 HE ARG 21 5.778 -4.173 -26.319 163 HH11 ARG 21 1HH1 ARG 21 9.127 -3.421 -25.739 164 HH12 ARG 21 2HH1 ARG 21 9.576 -3.532 -27.408 165 HH21 ARG 21 1HH2 ARG 21 6.356 -4.321 -28.520 166 HH22 ARG 21 2HH2 ARG 21 7.999 -4.043 -28.990 167 H LEU 22 H LEU 22 2.460 -1.330 -22.854 168 HA LEU 22 HA LEU 22 0.914 -0.727 -25.103 169 HB2 LEU 22 2HB LEU 22 -0.407 -1.201 -23.315 170 HB3 LEU 22 3HB LEU 22 0.645 -0.361 -22.177 171 HG LEU 22 HG LEU 22 -0.868 1.318 -24.094 172 HD11 LEU 22 1HD1 LEU 22 -2.640 -0.143 -23.561 173 HD12 LEU 22 2HD1 LEU 22 -2.828 1.250 -22.496 174 HD13 LEU 22 3HD1 LEU 22 -2.146 -0.252 -21.871 175 HD21 LEU 22 3HD2 LEU 22 0.488 1.551 -21.552 176 HD22 LEU 22 1HD2 LEU 22 -1.142 2.220 -21.479 177 HD23 LEU 22 2HD2 LEU 22 0.000 2.808 -22.689 178 H TRP 23 H TRP 23 2.608 1.421 -22.843 179 HA TRP 23 HA TRP 23 1.763 3.854 -23.938 180 HB2 TRP 23 2HB TRP 23 4.149 3.020 -22.322 181 HB3 TRP 23 3HB TRP 23 4.050 4.658 -22.961 182 HD1 TRP 23 HD1 TRP 23 0.810 4.893 -22.463 183 HE1 TRP 23 HE1 TRP 23 0.011 5.325 -20.055 184 HE3 TRP 23 HE3 TRP 23 4.961 3.308 -19.934 185 HZ2 TRP 23 HZ2 TRP 23 1.008 5.033 -17.430 186 HZ3 TRP 23 HZ3 TRP 23 4.957 3.418 -17.476 187 HH2 TRP 23 HH2 TRP 23 3.021 4.263 -16.252 188 H ASP 24 H ASP 24 4.391 1.697 -24.832 189 HA ASP 24 HA ASP 24 5.661 3.465 -26.650 190 HB2 ASP 24 2HB ASP 24 5.817 0.569 -26.013 191 HB3 ASP 24 3HB ASP 24 6.406 1.065 -27.597 192 H LEU 25 H LEU 25 3.539 0.655 -27.226 193 HA LEU 25 HA LEU 25 3.295 0.982 -29.987 194 HB2 LEU 25 2HB LEU 25 1.807 -0.718 -29.902 195 HB3 LEU 25 3HB LEU 25 2.495 -0.895 -28.289 196 HG LEU 25 HG LEU 25 0.475 0.715 -27.666 197 HD11 LEU 25 1HD1 LEU 25 -1.166 -0.809 -29.479 198 HD12 LEU 25 2HD1 LEU 25 -0.038 0.220 -30.360 199 HD13 LEU 25 3HD1 LEU 25 -1.136 0.929 -29.177 200 HD21 LEU 25 3HD2 LEU 25 -0.038 -2.206 -28.163 201 HD22 LEU 25 1HD2 LEU 25 -0.680 -1.182 -26.878 202 HD23 LEU 25 2HD2 LEU 25 1.026 -1.632 -26.878 203 H ASP 26 H ASP 26 1.775 2.657 -27.364 204 HA ASP 26 HA ASP 26 -0.404 3.731 -28.870 205 HB2 ASP 26 2HB ASP 26 -0.671 3.603 -26.499 206 HB3 ASP 26 3HB ASP 26 0.825 4.491 -26.219 207 H LYS 27 H LYS 27 0.764 4.477 -30.748 208 HA LYS 27 HA LYS 27 2.719 6.531 -30.590 209 HB2 LYS 27 2HB LYS 27 2.142 4.897 -32.541 210 HB3 LYS 27 3HB LYS 27 0.967 6.125 -32.991 211 HG2 LYS 27 2HG LYS 27 2.621 7.037 -34.166 212 HG3 LYS 27 3HG LYS 27 3.246 7.597 -32.614 213 HD2 LYS 27 2HD LYS 27 4.184 5.015 -32.762 214 HD3 LYS 27 3HD LYS 27 4.289 5.570 -34.435 215 HE2 LYS 27 2HE LYS 27 5.254 7.714 -33.007 216 HE3 LYS 27 3HE LYS 27 5.865 6.331 -32.100 217 HZ1 LYS 27 3HZ LYS 27 7.067 7.363 -34.252 218 HZ2 LYS 27 1HZ LYS 27 6.150 6.138 -34.974 219 HZ3 LYS 27 2HZ LYS 27 7.252 5.759 -33.748 220 H LEU 28 H LEU 28 -0.764 6.505 -30.692 221 HA LEU 28 HA LEU 28 -1.294 9.103 -31.527 222 HB2 LEU 28 2HB LEU 28 -3.061 7.507 -31.268 223 HB3 LEU 28 3HB LEU 28 -2.736 7.357 -29.542 224 HG LEU 28 HG LEU 28 -3.342 9.928 -29.559 225 HD11 LEU 28 1HD1 LEU 28 -3.574 9.969 -32.035 226 HD12 LEU 28 2HD1 LEU 28 -5.014 10.507 -31.171 227 HD13 LEU 28 3HD1 LEU 28 -4.962 8.892 -31.878 228 HD21 LEU 28 3HD2 LEU 28 -5.587 7.953 -29.817 229 HD22 LEU 28 1HD2 LEU 28 -5.462 9.358 -28.758 230 HD23 LEU 28 2HD2 LEU 28 -4.482 7.926 -28.442 231 H GLY 29 H GLY 29 -0.104 7.915 -28.473 232 HA2 GLY 29 2HA GLY 29 1.200 9.430 -27.102 233 HA3 GLY 29 3HA GLY 29 0.077 10.708 -27.542 234 H MET 30 H MET 30 -2.339 9.319 -27.128 235 HA MET 30 HA MET 30 -2.282 8.445 -24.348 236 HB2 MET 30 2HB MET 30 -2.630 11.023 -24.600 237 HB3 MET 30 3HB MET 30 -4.255 10.573 -25.100 238 HG2 MET 30 2HG MET 30 -3.885 9.108 -22.806 239 HG3 MET 30 3HG MET 30 -3.057 10.623 -22.454 240 HE1 MET 30 3HE MET 30 -4.803 11.440 -20.487 241 HE2 MET 30 1HE MET 30 -6.504 10.998 -20.630 242 HE3 MET 30 2HE MET 30 -5.262 9.748 -20.683 243 H PHE 31 H PHE 31 -2.789 6.484 -25.648 244 HA PHE 31 HA PHE 31 -5.636 6.377 -26.391 245 HB2 PHE 31 2HB PHE 31 -4.157 5.835 -28.251 246 HB3 PHE 31 3HB PHE 31 -3.342 4.615 -27.277 247 HD1 PHE 31 HD2 PHE 31 -6.567 5.495 -28.859 248 HD2 PHE 31 HD1 PHE 31 -4.177 2.429 -27.126 249 HE1 PHE 31 HE2 PHE 31 -8.174 3.805 -29.643 250 HE2 PHE 31 HE1 PHE 31 -5.780 0.733 -27.907 251 HZ PHE 31 HZ PHE 31 -7.782 1.421 -29.167 252 H HIS 32 H HIS 32 -6.914 5.400 -24.982 253 HA HIS 32 HA HIS 32 -6.406 2.858 -23.887 254 HB2 HIS 32 2HB HIS 32 -4.826 4.281 -22.510 255 HB3 HIS 32 3HB HIS 32 -6.249 5.068 -21.835 256 HD1 HIS 32 HD1 HIS 32 -5.691 4.174 -19.472 257 HD2 HIS 32 HD2 HIS 32 -6.351 1.207 -22.304 258 HE1 HIS 32 HE1 HIS 32 -5.953 2.042 -18.163 259 H HIS 33 H HIS 33 -8.537 3.424 -25.185 260 HA HIS 33 HA HIS 33 -10.652 3.379 -23.211 261 HB2 HIS 33 2HB HIS 33 -11.957 5.119 -24.592 262 HB3 HIS 33 3HB HIS 33 -10.711 5.708 -23.496 263 HD1 HIS 33 HD1 HIS 33 -8.694 6.879 -24.525 264 HD2 HIS 33 HD2 HIS 33 -11.324 5.337 -27.348 265 HE1 HIS 33 HE1 HIS 33 -7.960 7.846 -26.727 266 HA PRO 34 HA PRO 34 -12.500 0.582 -26.040 267 HB2 PRO 34 2HB PRO 34 -15.145 1.013 -25.601 268 HB3 PRO 34 3HB PRO 34 -14.100 0.187 -24.439 269 HG2 PRO 34 2HG PRO 34 -15.021 3.036 -24.469 270 HG3 PRO 34 3HG PRO 34 -14.911 1.910 -23.104 271 HD2 PRO 34 2HD PRO 34 -13.044 3.812 -23.577 272 HD3 PRO 34 3HD PRO 34 -12.645 2.243 -22.848 273 H VAL 35 H VAL 35 -13.352 0.434 -28.094 274 HA VAL 35 HA VAL 35 -13.438 2.849 -29.628 275 HB VAL 35 HB VAL 35 -12.517 0.853 -30.635 276 HG11 VAL 35 1HG1 VAL 35 -14.952 -0.351 -29.602 277 HG12 VAL 35 2HG1 VAL 35 -14.637 -0.789 -31.282 278 HG13 VAL 35 3HG1 VAL 35 -13.419 -1.101 -30.044 279 HG21 VAL 35 3HG2 VAL 35 -13.767 0.831 -32.741 280 HG22 VAL 35 1HG2 VAL 35 -15.120 1.634 -31.945 281 HG23 VAL 35 2HG2 VAL 35 -13.577 2.471 -32.122 282 H SER 36 H SER 36 -15.172 3.798 -30.664 283 HA SER 36 HA SER 36 -17.723 3.460 -29.378 284 HB2 SER 36 2HB SER 36 -18.423 5.316 -30.929 285 HB3 SER 36 3HB SER 36 -17.043 5.705 -29.902 286 HG SER 36 HG SER 36 -15.704 5.542 -31.616 287 H ALA 37 H ALA 37 -19.489 2.442 -30.124 288 HA ALA 37 HA ALA 37 -19.275 0.579 -32.235 289 HB1 ALA 37 1HB ALA 37 -20.937 0.863 -30.113 290 HB2 ALA 37 2HB ALA 37 -21.995 1.348 -31.439 291 HB3 ALA 37 3HB ALA 37 -21.221 -0.236 -31.464 292 H GLU 38 H GLU 38 -20.355 3.880 -32.097 293 HA GLU 38 HA GLU 38 -22.000 4.080 -34.300 294 HB2 GLU 38 2HB GLU 38 -21.307 6.416 -34.454 295 HB3 GLU 38 3HB GLU 38 -21.543 5.946 -32.776 296 HG2 GLU 38 2HG GLU 38 -18.966 5.476 -32.875 297 HG3 GLU 38 3HG GLU 38 -19.034 6.606 -34.227 298 H GLU 39 H GLU 39 -18.483 3.919 -34.183 299 HA GLU 39 HA GLU 39 -18.301 4.186 -37.079 300 HB2 GLU 39 2HB GLU 39 -16.680 5.228 -35.340 301 HB3 GLU 39 3HB GLU 39 -15.982 3.617 -35.258 302 HG2 GLU 39 2HG GLU 39 -14.653 4.435 -36.876 303 HG3 GLU 39 3HG GLU 39 -15.993 3.940 -37.909 304 H LEU 40 H LEU 40 -17.350 1.838 -34.575 305 HA LEU 40 HA LEU 40 -17.384 -0.250 -36.654 306 HB2 LEU 40 2HB LEU 40 -15.677 0.105 -34.217 307 HB3 LEU 40 3HB LEU 40 -15.913 -1.488 -34.933 308 HG LEU 40 HG LEU 40 -13.825 -0.561 -35.693 309 HD11 LEU 40 1HD1 LEU 40 -15.309 -0.113 -38.166 310 HD12 LEU 40 2HD1 LEU 40 -15.772 -1.587 -37.316 311 HD13 LEU 40 3HD1 LEU 40 -14.090 -1.326 -37.775 312 HD21 LEU 40 3HD2 LEU 40 -15.127 1.666 -37.155 313 HD22 LEU 40 1HD2 LEU 40 -13.503 1.547 -36.478 314 HD23 LEU 40 2HD2 LEU 40 -14.877 1.864 -35.419 315 HA PRO 41 HA PRO 41 -20.874 -1.210 -33.799 316 HB2 PRO 41 2HB PRO 41 -22.507 -2.129 -35.763 317 HB3 PRO 41 3HB PRO 41 -22.380 -0.417 -35.342 318 HG2 PRO 41 2HG PRO 41 -21.077 -1.918 -37.580 319 HG3 PRO 41 3HG PRO 41 -21.843 -0.319 -37.602 320 HD2 PRO 41 2HD PRO 41 -19.158 -0.647 -37.478 321 HD3 PRO 41 3HD PRO 41 -19.989 0.720 -36.708 322 H ASP 42 H ASP 42 -18.963 -2.974 -36.052 323 HA ASP 42 HA ASP 42 -19.928 -5.529 -34.954 324 HB2 ASP 42 2HB ASP 42 -19.303 -6.595 -36.931 325 HB3 ASP 42 3HB ASP 42 -19.905 -5.042 -37.505 326 H TYR 43 H TYR 43 -17.890 -3.496 -33.910 327 HA TYR 43 HA TYR 43 -15.313 -4.584 -34.062 328 HB2 TYR 43 2HB TYR 43 -14.735 -3.131 -32.303 329 HB3 TYR 43 3HB TYR 43 -16.050 -2.307 -33.134 330 HD1 TYR 43 HD2 TYR 43 -18.464 -2.894 -32.157 331 HD2 TYR 43 HD1 TYR 43 -14.811 -3.222 -30.001 332 HE1 TYR 43 HE2 TYR 43 -19.706 -2.735 -30.041 333 HE2 TYR 43 HE1 TYR 43 -16.043 -3.065 -27.878 334 HH TYR 43 HH TYR 43 -18.575 -1.909 -27.301 335 H HIS 44 H HIS 44 -18.045 -5.356 -32.005 336 HA HIS 44 HA HIS 44 -16.812 -6.845 -30.020 337 HB2 HIS 44 2HB HIS 44 -19.284 -6.203 -30.259 338 HB3 HIS 44 3HB HIS 44 -19.441 -7.647 -31.255 339 HD1 HIS 44 HD1 HIS 44 -17.246 -7.638 -28.220 340 HD2 HIS 44 HD2 HIS 44 -21.010 -8.971 -29.368 341 HE1 HIS 44 HE1 HIS 44 -18.018 -9.151 -26.366 342 H THR 45 H THR 45 -17.761 -7.809 -33.280 343 HA THR 45 HA THR 45 -16.860 -10.534 -32.861 344 HB THR 45 HB THR 45 -17.456 -9.600 -35.609 345 HG1 THR 45 HG1 THR 45 -19.548 -9.185 -35.236 346 HG21 THR 45 3HG2 THR 45 -18.908 -11.719 -35.428 347 HG22 THR 45 1HG2 THR 45 -18.071 -11.991 -33.900 348 HG23 THR 45 2HG2 THR 45 -17.155 -11.911 -35.405 349 H VAL 46 H VAL 46 -15.454 -7.599 -33.705 350 HA VAL 46 HA VAL 46 -13.425 -8.717 -35.454 351 HB VAL 46 HB VAL 46 -13.709 -5.938 -34.304 352 HG11 VAL 46 1HG1 VAL 46 -12.031 -5.314 -36.015 353 HG12 VAL 46 2HG1 VAL 46 -11.388 -6.392 -34.775 354 HG13 VAL 46 3HG1 VAL 46 -11.799 -7.026 -36.369 355 HG21 VAL 46 3HG2 VAL 46 -13.999 -6.372 -37.191 356 HG22 VAL 46 1HG2 VAL 46 -15.265 -7.105 -36.205 357 HG23 VAL 46 2HG2 VAL 46 -14.950 -5.374 -36.091 358 H ILE 47 H ILE 47 -13.498 -7.109 -32.273 359 HA ILE 47 HA ILE 47 -10.798 -8.073 -31.725 360 HB ILE 47 HB ILE 47 -10.788 -6.631 -29.818 361 HG12 ILE 47 2HG1 ILE 47 -13.727 -6.172 -30.372 362 HG13 ILE 47 3HG1 ILE 47 -13.059 -7.068 -29.012 363 HG21 ILE 47 1HG2 ILE 47 -10.571 -4.717 -30.977 364 HG22 ILE 47 2HG2 ILE 47 -10.936 -5.737 -32.368 365 HG23 ILE 47 3HG2 ILE 47 -12.216 -4.791 -31.607 366 HD11 ILE 47 3HD1 ILE 47 -12.571 -4.146 -29.532 367 HD12 ILE 47 1HD1 ILE 47 -13.797 -4.784 -28.437 368 HD13 ILE 47 2HD1 ILE 47 -12.088 -5.070 -28.110 369 H LYS 48 H LYS 48 -14.010 -8.981 -31.170 370 HA LYS 48 HA LYS 48 -14.903 -10.772 -30.072 371 HB2 LYS 48 2HB LYS 48 -12.173 -11.415 -28.975 372 HB3 LYS 48 3HB LYS 48 -13.520 -12.511 -29.259 373 HG2 LYS 48 2HG LYS 48 -11.802 -11.173 -31.336 374 HG3 LYS 48 3HG LYS 48 -11.843 -12.889 -30.924 375 HD2 LYS 48 2HD LYS 48 -14.126 -11.303 -32.101 376 HD3 LYS 48 3HD LYS 48 -13.087 -12.424 -32.984 377 HE2 LYS 48 2HE LYS 48 -13.849 -14.254 -31.545 378 HE3 LYS 48 3HE LYS 48 -14.889 -13.131 -30.669 379 HZ1 LYS 48 3HZ LYS 48 -16.272 -14.176 -32.214 380 HZ2 LYS 48 1HZ LYS 48 -15.141 -14.053 -33.467 381 HZ3 LYS 48 2HZ LYS 48 -15.940 -12.671 -32.911 382 H ARG 49 H ARG 49 -12.230 -9.799 -27.920 383 HA ARG 49 HA ARG 49 -14.176 -9.479 -25.756 384 HB2 ARG 49 2HB ARG 49 -11.170 -9.744 -25.775 385 HB3 ARG 49 3HB ARG 49 -12.082 -9.338 -24.327 386 HG2 ARG 49 2HG ARG 49 -11.945 -11.582 -24.047 387 HG3 ARG 49 3HG ARG 49 -13.423 -11.517 -25.011 388 HD2 ARG 49 2HD ARG 49 -11.798 -11.706 -27.030 389 HD3 ARG 49 3HD ARG 49 -10.657 -12.309 -25.829 390 HE ARG 49 HE ARG 49 -12.922 -13.783 -25.432 391 HH11 ARG 49 1HH1 ARG 49 -10.832 -13.147 -28.142 392 HH12 ARG 49 2HH1 ARG 49 -11.119 -14.683 -28.891 393 HH21 ARG 49 1HH2 ARG 49 -13.308 -15.809 -26.408 394 HH22 ARG 49 2HH2 ARG 49 -12.528 -16.196 -27.904 395 HA PRO 50 HA PRO 50 -14.000 -5.080 -26.037 396 HB2 PRO 50 2HB PRO 50 -14.961 -4.496 -23.566 397 HB3 PRO 50 3HB PRO 50 -15.985 -5.087 -24.880 398 HG2 PRO 50 2HG PRO 50 -14.793 -6.593 -22.584 399 HG3 PRO 50 3HG PRO 50 -16.427 -6.701 -23.265 400 HD2 PRO 50 2HD PRO 50 -14.489 -8.503 -23.837 401 HD3 PRO 50 3HD PRO 50 -15.749 -8.054 -25.004 402 H VAL 51 H VAL 51 -13.104 -3.197 -24.837 403 HA VAL 51 HA VAL 51 -10.995 -3.819 -22.923 404 HB VAL 51 HB VAL 51 -9.858 -4.009 -25.074 405 HG11 VAL 51 1HG1 VAL 51 -10.534 -1.127 -25.598 406 HG12 VAL 51 2HG1 VAL 51 -9.789 -2.295 -26.691 407 HG13 VAL 51 3HG1 VAL 51 -11.489 -2.459 -26.248 408 HG21 VAL 51 3HG2 VAL 51 -8.020 -2.988 -24.290 409 HG22 VAL 51 1HG2 VAL 51 -8.797 -1.405 -24.262 410 HG23 VAL 51 2HG2 VAL 51 -9.041 -2.531 -22.927 411 H ASP 52 H ASP 52 -10.900 -2.320 -21.380 412 HA ASP 52 HA ASP 52 -11.595 0.447 -21.972 413 HB2 ASP 52 2HB ASP 52 -12.892 -0.827 -19.585 414 HB3 ASP 52 3HB ASP 52 -13.341 0.647 -20.438 415 H LEU 53 H LEU 53 -10.917 1.938 -20.325 416 HA LEU 53 HA LEU 53 -8.474 1.111 -19.058 417 HB2 LEU 53 2HB LEU 53 -8.277 3.445 -18.385 418 HB3 LEU 53 3HB LEU 53 -8.640 3.293 -20.103 419 HG LEU 53 HG LEU 53 -11.129 3.632 -19.130 420 HD11 LEU 53 1HD1 LEU 53 -9.741 5.650 -17.485 421 HD12 LEU 53 2HD1 LEU 53 -9.760 4.004 -16.855 422 HD13 LEU 53 3HD1 LEU 53 -11.277 4.824 -17.220 423 HD21 LEU 53 3HD2 LEU 53 -10.390 4.940 -20.923 424 HD22 LEU 53 1HD2 LEU 53 -9.062 5.631 -19.990 425 HD23 LEU 53 2HD2 LEU 53 -10.725 6.107 -19.642 426 H SER 54 H SER 54 -11.671 2.179 -17.965 427 HA SER 54 HA SER 54 -11.072 2.095 -15.197 428 HB2 SER 54 2HB SER 54 -13.443 2.337 -14.843 429 HB3 SER 54 3HB SER 54 -13.001 3.330 -16.231 430 HG SER 54 HG SER 54 -14.587 1.072 -16.097 431 H SER 55 H SER 55 -12.335 -0.270 -17.476 432 HA SER 55 HA SER 55 -13.167 -2.228 -15.663 433 HB2 SER 55 2HB SER 55 -13.625 -2.226 -18.127 434 HB3 SER 55 3HB SER 55 -11.954 -2.722 -18.391 435 HG SER 55 HG SER 55 -12.681 -4.455 -16.736 436 H ILE 56 H ILE 56 -10.027 -1.835 -17.291 437 HA ILE 56 HA ILE 56 -8.784 -4.047 -16.056 438 HB ILE 56 HB ILE 56 -7.526 -1.552 -17.203 439 HG12 ILE 56 2HG1 ILE 56 -7.533 -4.207 -18.569 440 HG13 ILE 56 3HG1 ILE 56 -9.008 -3.247 -18.605 441 HG21 ILE 56 1HG2 ILE 56 -5.484 -2.909 -17.375 442 HG22 ILE 56 2HG2 ILE 56 -5.993 -2.683 -15.703 443 HG23 ILE 56 3HG2 ILE 56 -6.296 -4.218 -16.516 444 HD11 ILE 56 3HD1 ILE 56 -6.320 -2.599 -19.752 445 HD12 ILE 56 1HD1 ILE 56 -7.883 -2.684 -20.564 446 HD13 ILE 56 2HD1 ILE 56 -7.532 -1.351 -19.463 447 H ARG 57 H ARG 57 -8.725 -0.576 -15.286 448 HA ARG 57 HA ARG 57 -6.976 -0.637 -13.138 449 HB2 ARG 57 2HB ARG 57 -7.694 1.466 -14.035 450 HB3 ARG 57 3HB ARG 57 -9.375 1.119 -13.654 451 HG2 ARG 57 2HG ARG 57 -8.464 2.723 -12.091 452 HG3 ARG 57 3HG ARG 57 -8.846 1.211 -11.264 453 HD2 ARG 57 2HD ARG 57 -6.570 0.591 -11.143 454 HD3 ARG 57 3HD ARG 57 -6.093 1.835 -12.297 455 HE ARG 57 HE ARG 57 -6.486 2.154 -9.473 456 HH11 ARG 57 1HH1 ARG 57 -6.513 3.773 -12.555 457 HH12 ARG 57 2HH1 ARG 57 -6.201 5.339 -11.881 458 HH21 ARG 57 1HH2 ARG 57 -6.074 4.210 -8.575 459 HH22 ARG 57 2HH2 ARG 57 -5.950 5.586 -9.618 460 H ASP 58 H ASP 58 -10.440 -1.306 -13.227 461 HA ASP 58 HA ASP 58 -10.721 -1.584 -10.401 462 HB2 ASP 58 2HB ASP 58 -12.615 -1.037 -11.905 463 HB3 ASP 58 3HB ASP 58 -12.501 -2.650 -12.603 464 H GLY 59 H GLY 59 -10.017 -3.773 -13.056 465 HA2 GLY 59 2HA GLY 59 -10.419 -6.205 -11.691 466 HA3 GLY 59 3HA GLY 59 -9.386 -5.980 -13.095 467 H ILE 60 H ILE 60 -7.456 -4.294 -12.167 468 HA ILE 60 HA ILE 60 -5.788 -6.060 -10.709 469 HB ILE 60 HB ILE 60 -5.482 -3.187 -11.541 470 HG12 ILE 60 2HG1 ILE 60 -3.478 -4.419 -12.735 471 HG13 ILE 60 3HG1 ILE 60 -4.466 -5.848 -12.455 472 HG21 ILE 60 1HG2 ILE 60 -3.638 -4.846 -9.844 473 HG22 ILE 60 2HG2 ILE 60 -3.077 -3.465 -10.785 474 HG23 ILE 60 3HG2 ILE 60 -4.279 -3.237 -9.515 475 HD11 ILE 60 3HD1 ILE 60 -5.363 -3.382 -13.927 476 HD12 ILE 60 1HD1 ILE 60 -4.808 -4.879 -14.678 477 HD13 ILE 60 2HD1 ILE 60 -6.284 -4.871 -13.711 478 H GLU 61 H GLU 61 -7.595 -3.156 -9.825 479 HA GLU 61 HA GLU 61 -6.562 -2.854 -7.227 480 HB2 GLU 61 2HB GLU 61 -8.056 -1.266 -8.654 481 HB3 GLU 61 3HB GLU 61 -9.392 -2.139 -7.917 482 HG2 GLU 61 2HG GLU 61 -7.891 -1.544 -5.739 483 HG3 GLU 61 3HG GLU 61 -7.573 -0.151 -6.770 484 H LYS 62 H LYS 62 -9.284 -4.718 -8.480 485 HA LYS 62 HA LYS 62 -10.144 -5.589 -5.881 486 HB2 LYS 62 2HB LYS 62 -11.784 -6.885 -7.029 487 HB3 LYS 62 3HB LYS 62 -11.648 -5.354 -7.885 488 HG2 LYS 62 2HG LYS 62 -10.479 -6.334 -9.672 489 HG3 LYS 62 3HG LYS 62 -10.156 -7.808 -8.756 490 HD2 LYS 62 2HD LYS 62 -11.884 -8.398 -10.224 491 HD3 LYS 62 3HD LYS 62 -12.697 -8.103 -8.685 492 HE2 LYS 62 2HE LYS 62 -12.626 -5.624 -9.965 493 HE3 LYS 62 3HE LYS 62 -13.031 -6.782 -11.231 494 HZ1 LYS 62 3HZ LYS 62 -14.447 -6.562 -8.630 495 HZ2 LYS 62 1HZ LYS 62 -14.867 -7.570 -9.922 496 HZ3 LYS 62 2HZ LYS 62 -14.993 -5.891 -10.084 497 H GLY 63 H GLY 63 -7.845 -6.648 -8.222 498 HA2 GLY 63 2HA GLY 63 -6.133 -8.201 -7.769 499 HA3 GLY 63 3HA GLY 63 -7.107 -8.860 -6.463 500 H THR 64 H THR 64 -8.455 -8.316 -9.628 501 HA THR 64 HA THR 64 -9.618 -10.757 -9.962 502 HB THR 64 HB THR 64 -10.072 -8.916 -11.483 503 HG1 THR 64 HG1 THR 64 -10.504 -10.256 -13.095 504 HG21 THR 64 3HG2 THR 64 -7.668 -9.380 -13.132 505 HG22 THR 64 1HG2 THR 64 -7.407 -8.522 -11.614 506 HG23 THR 64 2HG2 THR 64 -8.545 -7.887 -12.803 507 H TYR 65 H TYR 65 -6.297 -9.866 -10.746 508 HA TYR 65 HA TYR 65 -5.540 -12.141 -12.165 509 HB2 TYR 65 2HB TYR 65 -3.212 -11.597 -11.237 510 HB3 TYR 65 3HB TYR 65 -4.019 -10.343 -12.173 511 HD1 TYR 65 HD2 TYR 65 -3.136 -11.417 -8.747 512 HD2 TYR 65 HD1 TYR 65 -4.566 -8.247 -11.199 513 HE1 TYR 65 HE2 TYR 65 -2.853 -9.848 -6.874 514 HE2 TYR 65 HE1 TYR 65 -4.287 -6.670 -9.333 515 HH TYR 65 HH TYR 65 -3.292 -6.393 -7.289 516 H ALA 66 H ALA 66 -5.239 -14.198 -11.621 517 HA ALA 66 HA ALA 66 -5.407 -14.933 -8.791 518 HB1 ALA 66 1HB ALA 66 -6.062 -16.293 -11.344 519 HB2 ALA 66 2HB ALA 66 -5.546 -17.299 -9.990 520 HB3 ALA 66 3HB ALA 66 -6.952 -16.247 -9.822 521 H THR 67 H THR 67 -3.297 -15.144 -11.580 522 HA THR 67 HA THR 67 -0.988 -15.530 -9.982 523 HB THR 67 HB THR 67 -0.814 -17.847 -11.602 524 HG1 THR 67 HG1 THR 67 -3.081 -17.962 -11.590 525 HG21 THR 67 3HG2 THR 67 -0.861 -18.918 -9.224 526 HG22 THR 67 1HG2 THR 67 -0.882 -17.244 -8.672 527 HG23 THR 67 2HG2 THR 67 0.454 -17.829 -9.664 528 H ASP 68 H ASP 68 0.852 -16.469 -11.635 529 HA ASP 68 HA ASP 68 1.243 -14.425 -13.507 530 HB2 ASP 68 2HB ASP 68 3.204 -15.616 -14.196 531 HB3 ASP 68 3HB ASP 68 3.031 -15.852 -12.459 532 H VAL 69 H VAL 69 -0.207 -17.595 -13.809 533 HA VAL 69 HA VAL 69 -0.209 -17.730 -16.640 534 HB VAL 69 HB VAL 69 -2.062 -19.070 -14.664 535 HG11 VAL 69 1HG1 VAL 69 -2.524 -20.657 -16.463 536 HG12 VAL 69 2HG1 VAL 69 -3.001 -19.021 -16.919 537 HG13 VAL 69 3HG1 VAL 69 -1.512 -19.717 -17.559 538 HG21 VAL 69 3HG2 VAL 69 0.588 -19.848 -15.843 539 HG22 VAL 69 1HG2 VAL 69 0.104 -19.799 -14.148 540 HG23 VAL 69 2HG2 VAL 69 -0.537 -21.050 -15.213 541 H ASP 70 H ASP 70 -2.704 -16.756 -14.297 542 HA ASP 70 HA ASP 70 -4.695 -16.128 -16.172 543 HB2 ASP 70 2HB ASP 70 -4.604 -16.228 -13.463 544 HB3 ASP 70 3HB ASP 70 -4.610 -14.485 -13.716 545 H VAL 71 H VAL 71 -2.165 -14.134 -14.701 546 HA VAL 71 HA VAL 71 -2.960 -11.682 -15.845 547 HB VAL 71 HB VAL 71 -0.250 -12.611 -14.894 548 HG11 VAL 71 1HG1 VAL 71 -0.103 -9.932 -14.745 549 HG12 VAL 71 2HG1 VAL 71 0.480 -10.862 -16.126 550 HG13 VAL 71 3HG1 VAL 71 -1.109 -10.099 -16.183 551 HG21 VAL 71 3HG2 VAL 71 -2.616 -11.394 -13.619 552 HG22 VAL 71 1HG2 VAL 71 -1.382 -12.459 -12.945 553 HG23 VAL 71 2HG2 VAL 71 -1.052 -10.737 -13.138 554 H GLN 72 H GLN 72 -0.678 -14.170 -16.921 555 HA GLN 72 HA GLN 72 0.308 -12.819 -19.172 556 HB2 GLN 72 2HB GLN 72 0.327 -15.567 -18.148 557 HB3 GLN 72 3HB GLN 72 0.395 -15.466 -19.903 558 HG2 GLN 72 2HG GLN 72 2.614 -15.559 -18.824 559 HG3 GLN 72 3HG GLN 72 2.369 -14.121 -19.814 560 HE21 GLN 72 1HE2 GLN 72 2.093 -12.116 -18.799 561 HE22 GLN 72 2HE2 GLN 72 2.590 -11.852 -17.165 562 H ASN 73 H ASN 73 -2.380 -15.125 -18.860 563 HA ASN 73 HA ASN 73 -3.111 -15.150 -21.572 564 HB2 ASN 73 2HB ASN 73 -4.044 -16.886 -20.332 565 HB3 ASN 73 3HB ASN 73 -4.530 -15.819 -19.017 566 HD21 ASN 73 1HD2 ASN 73 -6.633 -15.636 -18.867 567 HD22 ASN 73 2HD2 ASN 73 -7.755 -15.609 -20.180 568 H ASP 74 H ASP 74 -4.141 -13.101 -18.883 569 HA ASP 74 HA ASP 74 -6.192 -11.723 -20.207 570 HB2 ASP 74 2HB ASP 74 -5.862 -11.636 -17.770 571 HB3 ASP 74 3HB ASP 74 -4.372 -10.727 -18.005 572 H VAL 75 H VAL 75 -2.759 -10.885 -19.801 573 HA VAL 75 HA VAL 75 -2.821 -8.471 -21.225 574 HB VAL 75 HB VAL 75 -0.484 -10.375 -21.023 575 HG11 VAL 75 1HG1 VAL 75 -0.004 -7.492 -20.991 576 HG12 VAL 75 2HG1 VAL 75 0.807 -8.769 -21.900 577 HG13 VAL 75 3HG1 VAL 75 -0.703 -8.082 -22.499 578 HG21 VAL 75 3HG2 VAL 75 -0.315 -8.232 -19.166 579 HG22 VAL 75 1HG2 VAL 75 -1.883 -9.014 -18.964 580 HG23 VAL 75 2HG2 VAL 75 -0.401 -9.963 -18.842 581 H ALA 76 H ALA 76 -2.254 -11.792 -22.299 582 HA ALA 76 HA ALA 76 -1.521 -11.229 -24.946 583 HB1 ALA 76 1HB ALA 76 -2.535 -13.604 -23.493 584 HB2 ALA 76 2HB ALA 76 -2.639 -13.624 -25.254 585 HB3 ALA 76 3HB ALA 76 -1.077 -13.404 -24.465 586 H ARG 77 H ARG 77 -4.708 -11.951 -23.541 587 HA ARG 77 HA ARG 77 -6.157 -11.803 -25.947 588 HB2 ARG 77 2HB ARG 77 -6.956 -11.438 -23.064 589 HB3 ARG 77 3HB ARG 77 -8.120 -11.333 -24.378 590 HG2 ARG 77 2HG ARG 77 -7.233 -13.655 -25.056 591 HG3 ARG 77 3HG ARG 77 -6.570 -13.703 -23.421 592 HD2 ARG 77 2HD ARG 77 -8.674 -13.648 -22.432 593 HD3 ARG 77 3HD ARG 77 -9.442 -12.997 -23.879 594 HE ARG 77 HE ARG 77 -8.362 -15.606 -24.306 595 HH11 ARG 77 1HH1 ARG 77 -11.076 -13.865 -22.993 596 HH12 ARG 77 2HH1 ARG 77 -12.188 -15.176 -23.208 597 HH21 ARG 77 1HH2 ARG 77 -9.817 -17.340 -24.593 598 HH22 ARG 77 2HH2 ARG 77 -11.470 -17.152 -24.117 599 H MET 78 H MET 78 -5.230 -9.354 -23.592 600 HA MET 78 HA MET 78 -6.822 -7.259 -24.624 601 HB2 MET 78 2HB MET 78 -5.475 -7.470 -22.378 602 HB3 MET 78 3HB MET 78 -4.184 -6.728 -23.313 603 HG2 MET 78 2HG MET 78 -5.208 -4.720 -23.397 604 HG3 MET 78 3HG MET 78 -6.823 -5.422 -23.463 605 HE1 MET 78 3HE MET 78 -7.815 -6.107 -19.921 606 HE2 MET 78 1HE MET 78 -7.847 -6.674 -21.591 607 HE3 MET 78 2HE MET 78 -6.643 -7.307 -20.468 608 H ILE 79 H ILE 79 -3.520 -8.321 -25.304 609 HA ILE 79 HA ILE 79 -2.844 -6.179 -27.025 610 HB ILE 79 HB ILE 79 -1.727 -8.985 -26.952 611 HG12 ILE 79 2HG1 ILE 79 -0.268 -6.638 -25.851 612 HG13 ILE 79 3HG1 ILE 79 -1.636 -7.239 -24.920 613 HG21 ILE 79 1HG2 ILE 79 -1.210 -7.925 -29.057 614 HG22 ILE 79 2HG2 ILE 79 -0.659 -6.471 -28.227 615 HG23 ILE 79 3HG2 ILE 79 0.241 -7.978 -28.057 616 HD11 ILE 79 3HD1 ILE 79 0.424 -8.230 -24.146 617 HD12 ILE 79 1HD1 ILE 79 -0.609 -9.461 -24.873 618 HD13 ILE 79 2HD1 ILE 79 0.773 -8.827 -25.767 619 H THR 80 H THR 80 -4.223 -9.384 -27.600 620 HA THR 80 HA THR 80 -4.170 -9.267 -30.422 621 HB THR 80 HB THR 80 -6.231 -10.803 -28.855 622 HG1 THR 80 HG1 THR 80 -3.515 -11.543 -29.319 623 HG21 THR 80 3HG2 THR 80 -6.688 -11.371 -30.992 624 HG22 THR 80 1HG2 THR 80 -5.296 -12.437 -30.804 625 HG23 THR 80 2HG2 THR 80 -5.104 -10.862 -31.575 626 H ASN 81 H ASN 81 -6.729 -8.529 -28.068 627 HA ASN 81 HA ASN 81 -8.691 -7.822 -29.968 628 HB2 ASN 81 2HB ASN 81 -10.016 -7.446 -28.170 629 HB3 ASN 81 3HB ASN 81 -8.696 -8.193 -27.273 630 HD21 ASN 81 1HD2 ASN 81 -10.154 -5.159 -28.222 631 HD22 ASN 81 2HD2 ASN 81 -9.444 -4.206 -26.968 632 H ALA 82 H ALA 82 -6.160 -5.991 -28.357 633 HA ALA 82 HA ALA 82 -7.042 -3.420 -29.178 634 HB1 ALA 82 1HB ALA 82 -4.779 -2.680 -28.545 635 HB2 ALA 82 2HB ALA 82 -5.538 -3.673 -27.300 636 HB3 ALA 82 3HB ALA 82 -4.302 -4.367 -28.349 637 H LEU 83 H LEU 83 -4.812 -5.787 -30.558 638 HA LEU 83 HA LEU 83 -3.908 -4.111 -32.673 639 HB2 LEU 83 2HB LEU 83 -2.472 -5.862 -32.152 640 HB3 LEU 83 3HB LEU 83 -3.778 -7.044 -32.099 641 HG LEU 83 HG LEU 83 -3.173 -5.788 -34.721 642 HD11 LEU 83 1HD1 LEU 83 -1.018 -6.332 -34.672 643 HD12 LEU 83 2HD1 LEU 83 -1.536 -8.017 -34.657 644 HD13 LEU 83 3HD1 LEU 83 -1.191 -7.188 -33.139 645 HD21 LEU 83 3HD2 LEU 83 -4.783 -7.843 -33.795 646 HD22 LEU 83 1HD2 LEU 83 -3.423 -8.670 -34.555 647 HD23 LEU 83 2HD2 LEU 83 -4.373 -7.504 -35.477 648 H GLU 84 H GLU 84 -6.580 -6.333 -32.272 649 HA GLU 84 HA GLU 84 -7.283 -6.625 -34.983 650 HB2 GLU 84 2HB GLU 84 -8.424 -7.287 -32.402 651 HB3 GLU 84 3HB GLU 84 -9.664 -6.749 -33.527 652 HG2 GLU 84 2HG GLU 84 -9.307 -9.195 -33.523 653 HG3 GLU 84 3HG GLU 84 -9.071 -8.444 -35.100 654 H TYR 85 H TYR 85 -7.895 -4.110 -32.648 655 HA TYR 85 HA TYR 85 -9.861 -2.795 -34.327 656 HB2 TYR 85 2HB TYR 85 -10.260 -2.640 -31.976 657 HB3 TYR 85 3HB TYR 85 -8.619 -2.083 -31.669 658 HD1 TYR 85 HD1 TYR 85 -11.257 -0.984 -34.081 659 HD2 TYR 85 HD2 TYR 85 -8.677 0.080 -30.870 660 HE1 TYR 85 HE1 TYR 85 -12.024 1.347 -34.245 661 HE2 TYR 85 HE2 TYR 85 -9.438 2.414 -31.024 662 HH TYR 85 HH TYR 85 -10.446 3.914 -32.692 663 H ASN 86 H ASN 86 -6.468 -2.763 -33.844 664 HA ASN 86 HA ASN 86 -5.988 -0.090 -34.741 665 HB2 ASN 86 2HB ASN 86 -4.218 -2.504 -34.373 666 HB3 ASN 86 3HB ASN 86 -3.605 -0.986 -35.024 667 HD21 ASN 86 1HD2 ASN 86 -4.795 0.899 -33.554 668 HD22 ASN 86 2HD2 ASN 86 -4.371 0.744 -31.886 669 H ALA 87 H ALA 87 -6.620 -3.094 -36.280 670 HA ALA 87 HA ALA 87 -5.336 -2.603 -38.761 671 HB1 ALA 87 1HB ALA 87 -6.393 -4.791 -37.708 672 HB2 ALA 87 2HB ALA 87 -7.783 -4.281 -38.667 673 HB3 ALA 87 3HB ALA 87 -6.232 -4.580 -39.452 674 H LYS 88 H LYS 88 -5.814 -0.600 -39.584 675 HA LYS 88 HA LYS 88 -8.192 -0.335 -41.089 676 HB2 LYS 88 2HB LYS 88 -8.973 1.786 -39.887 677 HB3 LYS 88 3HB LYS 88 -9.360 0.245 -39.133 678 HG2 LYS 88 2HG LYS 88 -7.943 0.585 -37.381 679 HG3 LYS 88 3HG LYS 88 -6.850 1.606 -38.319 680 HD2 LYS 88 2HD LYS 88 -9.102 3.115 -38.331 681 HD3 LYS 88 3HD LYS 88 -9.244 2.318 -36.762 682 HE2 LYS 88 2HE LYS 88 -8.061 4.320 -36.365 683 HE3 LYS 88 3HE LYS 88 -6.855 3.035 -36.334 684 HZ1 LYS 88 3HZ LYS 88 -5.983 4.821 -37.605 685 HZ2 LYS 88 1HZ LYS 88 -7.387 4.945 -38.540 686 HZ3 LYS 88 2HZ LYS 88 -6.382 3.594 -38.699 687 H GLY 89 H GLY 89 -5.294 -0.121 -41.347 688 HA2 GLY 89 2HA GLY 89 -5.241 2.356 -42.850 689 HA3 GLY 89 3HA GLY 89 -4.122 2.296 -41.496 690 H SER 90 H SER 90 -2.335 0.932 -41.580 691 HA SER 90 HA SER 90 -1.846 -1.002 -43.545 692 HB2 SER 90 2HB SER 90 -1.767 0.620 -45.245 693 HB3 SER 90 3HB SER 90 -0.943 1.791 -44.215 694 HG SER 90 HG SER 90 0.710 1.039 -45.332 695 H THR 91 H THR 91 0.301 1.627 -42.492 696 HA THR 91 HA THR 91 2.347 -0.125 -41.648 697 HB THR 91 HB THR 91 2.274 2.554 -40.399 698 HG1 THR 91 HG1 THR 91 2.325 2.178 -43.224 699 HG21 THR 91 3HG2 THR 91 4.505 2.347 -40.530 700 HG22 THR 91 1HG2 THR 91 4.448 1.850 -42.221 701 HG23 THR 91 2HG2 THR 91 4.190 0.661 -40.943 702 H TRP 92 H TRP 92 -0.415 1.240 -40.027 703 HA TRP 92 HA TRP 92 0.442 0.841 -37.362 704 HB2 TRP 92 2HB TRP 92 -1.844 1.865 -38.649 705 HB3 TRP 92 3HB TRP 92 -2.413 0.546 -37.629 706 HD1 TRP 92 HD1 TRP 92 -1.556 4.127 -37.479 707 HE1 TRP 92 HE1 TRP 92 -1.430 4.931 -35.037 708 HE3 TRP 92 HE3 TRP 92 -1.514 -0.414 -35.132 709 HZ2 TRP 92 HZ2 TRP 92 -1.326 3.790 -32.457 710 HZ3 TRP 92 HZ3 TRP 92 -1.400 -0.471 -32.675 711 HH2 TRP 92 HH2 TRP 92 -1.307 1.589 -31.367 712 H TYR 93 H TYR 93 -1.178 -1.224 -39.700 713 HA TYR 93 HA TYR 93 -1.898 -3.294 -37.919 714 HB2 TYR 93 2HB TYR 93 -2.788 -2.962 -40.253 715 HB3 TYR 93 3HB TYR 93 -1.261 -3.594 -40.858 716 HD1 TYR 93 HD2 TYR 93 -3.938 -4.537 -38.421 717 HD2 TYR 93 HD1 TYR 93 -1.178 -5.835 -41.388 718 HE1 TYR 93 HE2 TYR 93 -4.815 -6.827 -38.227 719 HE2 TYR 93 HE1 TYR 93 -2.049 -8.128 -41.203 720 HH TYR 93 HH TYR 93 -4.758 -8.987 -40.146 721 H GLN 94 H GLN 94 0.913 -2.890 -40.059 722 HA GLN 94 HA GLN 94 2.175 -5.311 -39.357 723 HB2 GLN 94 2HB GLN 94 2.684 -3.162 -41.100 724 HB3 GLN 94 3HB GLN 94 4.086 -3.265 -40.044 725 HG2 GLN 94 2HG GLN 94 4.269 -5.671 -40.607 726 HG3 GLN 94 3HG GLN 94 2.952 -5.460 -41.760 727 HE21 GLN 94 1HE2 GLN 94 4.137 -5.948 -43.559 728 HE22 GLN 94 2HE2 GLN 94 5.406 -4.943 -44.162 729 H GLU 95 H GLU 95 2.471 -2.021 -38.085 730 HA GLU 95 HA GLU 95 4.606 -2.484 -36.328 731 HB2 GLU 95 2HB GLU 95 3.975 -0.232 -36.817 732 HB3 GLU 95 3HB GLU 95 2.336 -0.499 -36.240 733 HG2 GLU 95 2HG GLU 95 3.731 0.814 -34.686 734 HG3 GLU 95 3HG GLU 95 3.091 -0.668 -33.976 735 H ALA 96 H ALA 96 1.099 -2.674 -35.804 736 HA ALA 96 HA ALA 96 1.235 -3.365 -33.069 737 HB1 ALA 96 1HB ALA 96 -1.119 -4.305 -33.568 738 HB2 ALA 96 2HB ALA 96 -0.837 -2.572 -33.745 739 HB3 ALA 96 3HB ALA 96 -0.882 -3.609 -35.171 740 H MET 97 H MET 97 1.188 -5.294 -36.024 741 HA MET 97 HA MET 97 0.928 -7.810 -34.734 742 HB2 MET 97 2HB MET 97 0.582 -7.120 -37.243 743 HB3 MET 97 3HB MET 97 2.290 -7.512 -37.382 744 HG2 MET 97 2HG MET 97 0.441 -9.474 -36.117 745 HG3 MET 97 3HG MET 97 0.465 -9.306 -37.871 746 HE1 MET 97 3HE MET 97 4.130 -10.019 -38.763 747 HE2 MET 97 1HE MET 97 2.593 -10.613 -39.392 748 HE3 MET 97 2HE MET 97 2.784 -8.904 -39.000 749 H SER 98 H SER 98 3.713 -5.985 -35.957 750 HA SER 98 HA SER 98 5.668 -7.921 -35.370 751 HB2 SER 98 2HB SER 98 5.839 -5.749 -36.791 752 HB3 SER 98 3HB SER 98 6.240 -4.971 -35.259 753 HG SER 98 HG SER 98 8.121 -5.664 -36.311 754 H PHE 99 H PHE 99 4.317 -5.276 -33.463 755 HA PHE 99 HA PHE 99 6.097 -5.549 -31.270 756 HB2 PHE 99 2HB PHE 99 3.752 -3.965 -31.936 757 HB3 PHE 99 3HB PHE 99 3.739 -4.473 -30.250 758 HD1 PHE 99 HD2 PHE 99 6.619 -3.599 -32.431 759 HD2 PHE 99 HD1 PHE 99 4.254 -2.562 -29.047 760 HE1 PHE 99 HE2 PHE 99 8.202 -1.799 -31.880 761 HE2 PHE 99 HE1 PHE 99 5.833 -0.759 -28.492 762 HZ PHE 99 HZ PHE 99 7.811 -0.376 -29.908 763 H ARG 100 H ARG 100 2.837 -6.784 -31.912 764 HA ARG 100 HA ARG 100 2.345 -7.995 -29.458 765 HB2 ARG 100 2HB ARG 100 0.631 -7.748 -31.183 766 HB3 ARG 100 3HB ARG 100 1.478 -8.897 -32.210 767 HG2 ARG 100 2HG ARG 100 0.991 -10.092 -29.661 768 HG3 ARG 100 3HG ARG 100 -0.511 -9.418 -30.296 769 HD2 ARG 100 2HD ARG 100 -0.533 -11.514 -31.238 770 HD3 ARG 100 3HD ARG 100 0.250 -10.578 -32.510 771 HE ARG 100 HE ARG 100 2.191 -11.639 -30.758 772 HH11 ARG 100 1HH1 ARG 100 -0.031 -12.597 -33.261 773 HH12 ARG 100 2HH1 ARG 100 0.923 -13.950 -33.771 774 HH21 ARG 100 1HH2 ARG 100 3.456 -13.418 -31.419 775 HH22 ARG 100 2HH2 ARG 100 2.906 -14.417 -32.722 776 H LYS 101 H LYS 101 4.473 -8.928 -32.015 777 HA LYS 101 HA LYS 101 4.706 -11.683 -31.381 778 HB2 LYS 101 2HB LYS 101 5.837 -9.859 -33.263 779 HB3 LYS 101 3HB LYS 101 7.151 -10.727 -32.479 780 HG2 LYS 101 2HG LYS 101 6.442 -12.781 -33.271 781 HG3 LYS 101 3HG LYS 101 4.794 -12.216 -33.553 782 HD2 LYS 101 2HD LYS 101 5.534 -12.214 -35.705 783 HD3 LYS 101 3HD LYS 101 6.062 -10.595 -35.241 784 HE2 LYS 101 2HE LYS 101 8.289 -11.314 -34.914 785 HE3 LYS 101 3HE LYS 101 7.827 -13.014 -34.963 786 HZ1 LYS 101 3HZ LYS 101 7.426 -11.253 -37.300 787 HZ2 LYS 101 1HZ LYS 101 7.518 -12.942 -37.251 788 HZ3 LYS 101 2HZ LYS 101 8.912 -12.012 -37.023 789 H THR 102 H THR 102 6.017 -8.808 -29.994 790 HA THR 102 HA THR 102 7.807 -10.430 -28.305 791 HB THR 102 HB THR 102 8.995 -8.747 -29.675 792 HG1 THR 102 HG1 THR 102 9.958 -7.654 -27.738 793 HG21 THR 102 3HG2 THR 102 7.291 -6.796 -28.126 794 HG22 THR 102 1HG2 THR 102 7.318 -7.033 -29.873 795 HG23 THR 102 2HG2 THR 102 8.721 -6.345 -29.054 796 H TYR 103 H TYR 103 4.951 -8.686 -28.347 797 HA TYR 103 HA TYR 103 4.999 -7.421 -25.824 798 HB2 TYR 103 2HB TYR 103 3.291 -7.305 -27.861 799 HB3 TYR 103 3HB TYR 103 2.435 -8.502 -26.895 800 HD1 TYR 103 HD1 TYR 103 2.901 -7.584 -24.162 801 HD2 TYR 103 HD2 TYR 103 2.079 -5.334 -27.678 802 HE1 TYR 103 HE1 TYR 103 1.942 -5.789 -22.782 803 HE2 TYR 103 HE2 TYR 103 1.119 -3.531 -26.307 804 HH TYR 103 HH TYR 103 0.056 -3.331 -24.014 805 H LEU 104 H LEU 104 3.569 -10.530 -26.825 806 HA LEU 104 HA LEU 104 2.903 -11.311 -24.172 807 HB2 LEU 104 2HB LEU 104 2.619 -13.582 -25.235 808 HB3 LEU 104 3HB LEU 104 1.634 -12.278 -25.895 809 HG LEU 104 HG LEU 104 4.005 -12.402 -27.435 810 HD11 LEU 104 1HD1 LEU 104 4.294 -14.588 -28.066 811 HD12 LEU 104 2HD1 LEU 104 2.683 -15.070 -27.537 812 HD13 LEU 104 3HD1 LEU 104 3.952 -14.782 -26.347 813 HD21 LEU 104 3HD2 LEU 104 2.466 -12.844 -29.239 814 HD22 LEU 104 1HD2 LEU 104 1.754 -11.661 -28.141 815 HD23 LEU 104 2HD2 LEU 104 1.216 -13.340 -28.097 816 H ASP 105 H ASP 105 5.585 -12.075 -26.352 817 HA ASP 105 HA ASP 105 6.853 -14.026 -24.831 818 HB2 ASP 105 2HB ASP 105 7.679 -12.123 -26.944 819 HB3 ASP 105 3HB ASP 105 8.976 -12.794 -25.959 820 H LEU 106 H LEU 106 7.250 -10.499 -24.733 821 HA LEU 106 HA LEU 106 9.204 -10.545 -22.662 822 HB2 LEU 106 2HB LEU 106 8.942 -8.690 -24.268 823 HB3 LEU 106 3HB LEU 106 7.392 -8.295 -23.528 824 HG LEU 106 HG LEU 106 8.645 -7.861 -21.388 825 HD11 LEU 106 1HD1 LEU 106 10.701 -8.819 -21.454 826 HD12 LEU 106 2HD1 LEU 106 11.136 -7.218 -22.050 827 HD13 LEU 106 3HD1 LEU 106 10.899 -8.546 -23.185 828 HD21 LEU 106 3HD2 LEU 106 9.502 -6.126 -23.696 829 HD22 LEU 106 1HD2 LEU 106 9.265 -5.649 -22.014 830 HD23 LEU 106 2HD2 LEU 106 7.879 -6.106 -23.005 831 H ALA 107 H ALA 107 5.733 -10.548 -22.740 832 HA ALA 107 HA ALA 107 5.649 -10.187 -19.820 833 HB1 ALA 107 1HB ALA 107 4.249 -8.772 -21.561 834 HB2 ALA 107 2HB ALA 107 3.160 -10.154 -21.440 835 HB3 ALA 107 3HB ALA 107 3.584 -9.237 -19.995 836 H ARG 108 H ARG 108 6.556 -12.578 -20.288 837 HA ARG 108 HA ARG 108 4.627 -14.334 -19.241 838 HB2 ARG 108 2HB ARG 108 3.701 -14.304 -21.499 839 HB3 ARG 108 3HB ARG 108 5.269 -14.737 -22.167 840 HG2 ARG 108 2HG ARG 108 4.809 -16.885 -21.927 841 HG3 ARG 108 3HG ARG 108 4.547 -16.664 -20.196 842 HD2 ARG 108 2HD ARG 108 2.257 -15.622 -21.287 843 HD3 ARG 108 3HD ARG 108 2.617 -16.968 -22.368 844 HE ARG 108 HE ARG 108 1.614 -17.145 -19.726 845 HH11 ARG 108 1HH1 ARG 108 3.786 -18.709 -21.952 846 HH12 ARG 108 2HH1 ARG 108 3.614 -20.272 -21.225 847 HH21 ARG 108 1HH2 ARG 108 1.379 -19.198 -18.760 848 HH22 ARG 108 2HH2 ARG 108 2.244 -20.549 -19.410 849 H GLN 109 H GLN 109 7.490 -14.296 -21.356 850 HA GLN 109 HA GLN 109 8.619 -16.652 -20.224 851 HB2 GLN 109 2HB GLN 109 9.253 -16.074 -22.451 852 HB3 GLN 109 3HB GLN 109 9.764 -14.466 -21.957 853 HG2 GLN 109 2HG GLN 109 11.591 -15.464 -20.656 854 HG3 GLN 109 3HG GLN 109 11.092 -17.061 -21.210 855 HE21 GLN 109 1HE2 GLN 109 12.605 -14.067 -22.074 856 HE22 GLN 109 2HE2 GLN 109 13.242 -14.587 -23.593 857 H SER 110 H SER 110 8.927 -13.218 -19.583 858 HA SER 110 HA SER 110 11.093 -13.615 -17.698 859 HB2 SER 110 2HB SER 110 9.592 -11.217 -18.713 860 HB3 SER 110 3HB SER 110 10.618 -11.090 -17.284 861 HG SER 110 HG SER 110 11.563 -10.672 -19.483 862 H GLY 111 H GLY 111 7.659 -13.497 -17.673 863 HA2 GLY 111 2HA GLY 111 7.290 -12.662 -14.975 864 HA3 GLY 111 3HA GLY 111 6.103 -13.483 -15.978 Start of MODEL 10 1 H1 MET 1 H MET 1 -8.203 -1.381 -1.439 2 HA MET 1 HA MET 1 -7.013 0.778 -1.850 3 HB2 MET 1 2HB MET 1 -8.612 1.449 0.617 4 HB3 MET 1 3HB MET 1 -7.210 2.384 0.114 5 HG2 MET 1 2HG MET 1 -9.231 1.935 -1.969 6 HG3 MET 1 3HG MET 1 -9.752 2.925 -0.608 7 HE1 MET 1 3HE MET 1 -8.494 4.636 0.377 8 HE2 MET 1 1HE MET 1 -7.096 5.491 -0.276 9 HE3 MET 1 2HE MET 1 -8.725 5.974 -0.750 10 H SER 2 H SER 2 -5.844 -1.403 -1.423 11 HA SER 2 HA SER 2 -4.224 -1.029 0.997 12 HB2 SER 2 2HB SER 2 -5.591 -3.548 0.090 13 HB3 SER 2 3HB SER 2 -4.110 -3.626 1.043 14 HG SER 2 HG SER 2 -6.648 -2.678 1.762 15 H LYS 3 H LYS 3 -2.177 -2.404 0.861 16 HA LYS 3 HA LYS 3 -1.245 -2.733 -1.897 17 HB2 LYS 3 2HB LYS 3 0.389 -1.275 0.179 18 HB3 LYS 3 3HB LYS 3 0.751 -1.465 -1.531 19 HG2 LYS 3 2HG LYS 3 -1.289 -0.115 -2.033 20 HG3 LYS 3 3HG LYS 3 -1.436 0.194 -0.302 21 HD2 LYS 3 2HD LYS 3 0.848 1.165 -0.333 22 HD3 LYS 3 3HD LYS 3 0.877 0.952 -2.085 23 HE2 LYS 3 2HE LYS 3 -1.383 2.439 -0.825 24 HE3 LYS 3 3HE LYS 3 0.173 3.244 -1.025 25 HZ1 LYS 3 3HZ LYS 3 -1.766 3.097 -2.905 26 HZ2 LYS 3 1HZ LYS 3 -0.712 1.862 -3.384 27 HZ3 LYS 3 2HZ LYS 3 -0.138 3.444 -3.209 28 H ASN 4 H ASN 4 0.664 -4.056 -2.094 29 HA ASN 4 HA ASN 4 1.806 -5.981 -1.676 30 HB2 ASN 4 2HB ASN 4 2.495 -4.152 0.277 31 HB3 ASN 4 3HB ASN 4 2.081 -5.587 1.210 32 HD21 ASN 4 1HD2 ASN 4 3.049 -7.654 0.292 33 HD22 ASN 4 2HD2 ASN 4 4.705 -7.564 -0.193 34 H GLU 5 H GLU 5 -1.089 -6.052 -1.422 35 HA GLU 5 HA GLU 5 -1.936 -7.551 0.794 36 HB2 GLU 5 2HB GLU 5 -3.911 -8.061 -0.491 37 HB3 GLU 5 3HB GLU 5 -3.450 -6.393 -0.801 38 HG2 GLU 5 2HG GLU 5 -2.147 -7.608 -2.809 39 HG3 GLU 5 3HG GLU 5 -3.506 -8.713 -2.612 40 H ARG 6 H ARG 6 -0.244 -8.452 -2.096 41 HA ARG 6 HA ARG 6 0.192 -11.108 -1.054 42 HB2 ARG 6 2HB ARG 6 -1.644 -10.585 -3.315 43 HB3 ARG 6 3HB ARG 6 -0.482 -11.883 -3.555 44 HG2 ARG 6 2HG ARG 6 -1.274 -12.944 -1.480 45 HG3 ARG 6 3HG ARG 6 -2.477 -11.664 -1.311 46 HD2 ARG 6 2HD ARG 6 -2.870 -12.539 -3.885 47 HD3 ARG 6 3HD ARG 6 -2.473 -14.026 -3.025 48 HE ARG 6 HE ARG 6 -4.883 -12.518 -2.816 49 HH11 ARG 6 1HH1 ARG 6 -2.700 -14.566 -1.040 50 HH12 ARG 6 2HH1 ARG 6 -3.910 -15.114 0.072 51 HH21 ARG 6 1HH2 ARG 6 -6.486 -13.231 -1.359 52 HH22 ARG 6 2HH2 ARG 6 -6.064 -14.355 -0.111 53 H ASP 7 H ASP 7 1.670 -12.368 -2.547 54 HA ASP 7 HA ASP 7 3.115 -11.144 -4.610 55 HB2 ASP 7 2HB ASP 7 3.766 -9.891 -2.317 56 HB3 ASP 7 3HB ASP 7 4.918 -11.222 -2.255 57 H THR 8 H THR 8 2.004 -13.690 -3.886 58 HA THR 8 HA THR 8 4.289 -15.347 -4.527 59 HB THR 8 HB THR 8 3.588 -17.020 -2.699 60 HG1 THR 8 HG1 THR 8 1.904 -16.272 -1.628 61 HG21 THR 8 3HG2 THR 8 5.633 -15.348 -2.830 62 HG22 THR 8 1HG2 THR 8 5.319 -16.297 -1.378 63 HG23 THR 8 2HG2 THR 8 4.815 -14.609 -1.454 64 H SER 9 H SER 9 1.831 -14.541 -5.843 65 HA SER 9 HA SER 9 0.868 -17.194 -6.539 66 HB2 SER 9 2HB SER 9 -0.808 -15.095 -5.234 67 HB3 SER 9 3HB SER 9 -1.542 -16.082 -6.498 68 HG SER 9 HG SER 9 -1.676 -16.880 -4.250 69 H PHE 10 H PHE 10 0.673 -13.706 -7.111 70 HA PHE 10 HA PHE 10 0.052 -14.200 -9.930 71 HB2 PHE 10 2HB PHE 10 -0.503 -11.848 -10.069 72 HB3 PHE 10 3HB PHE 10 -1.314 -12.546 -8.670 73 HD1 PHE 10 HD1 PHE 10 1.332 -10.286 -9.798 74 HD2 PHE 10 HD2 PHE 10 -0.697 -11.916 -6.430 75 HE1 PHE 10 HE1 PHE 10 2.328 -8.553 -8.364 76 HE2 PHE 10 HE2 PHE 10 0.295 -10.184 -4.991 77 HZ PHE 10 HZ PHE 10 1.809 -8.499 -5.957 78 H ASN 11 H ASN 11 1.224 -12.985 -11.582 79 HA ASN 11 HA ASN 11 4.076 -12.818 -10.914 80 HB2 ASN 11 2HB ASN 11 3.039 -14.285 -12.838 81 HB3 ASN 11 3HB ASN 11 3.054 -12.765 -13.727 82 HD21 ASN 11 1HD2 ASN 11 4.612 -13.281 -15.176 83 HD22 ASN 11 2HD2 ASN 11 6.260 -13.580 -14.752 84 H LYS 12 H LYS 12 4.215 -10.747 -10.086 85 HA LYS 12 HA LYS 12 3.028 -8.441 -11.044 86 HB2 LYS 12 2HB LYS 12 4.248 -8.543 -8.923 87 HB3 LYS 12 3HB LYS 12 5.765 -8.739 -9.792 88 HG2 LYS 12 2HG LYS 12 5.952 -6.549 -10.203 89 HG3 LYS 12 3HG LYS 12 4.236 -6.371 -10.575 90 HD2 LYS 12 2HD LYS 12 3.899 -6.653 -8.025 91 HD3 LYS 12 3HD LYS 12 5.618 -6.265 -7.917 92 HE2 LYS 12 2HE LYS 12 3.971 -4.486 -9.606 93 HE3 LYS 12 3HE LYS 12 3.668 -4.415 -7.870 94 HZ1 LYS 12 3HZ LYS 12 6.118 -4.102 -7.598 95 HZ2 LYS 12 1HZ LYS 12 5.323 -2.820 -8.363 96 HZ3 LYS 12 2HZ LYS 12 6.230 -3.917 -9.276 97 H ASN 13 H ASN 13 5.861 -10.136 -12.215 98 HA ASN 13 HA ASN 13 6.985 -8.170 -13.833 99 HB2 ASN 13 2HB ASN 13 7.848 -10.539 -13.276 100 HB3 ASN 13 3HB ASN 13 6.882 -11.065 -14.652 101 HD21 ASN 13 1HD2 ASN 13 8.076 -11.330 -16.380 102 HD22 ASN 13 2HD2 ASN 13 9.406 -10.342 -16.868 103 H GLY 14 H GLY 14 4.224 -10.269 -14.381 104 HA2 GLY 14 2HA GLY 14 3.948 -9.763 -17.160 105 HA3 GLY 14 3HA GLY 14 2.694 -10.379 -16.093 106 H CYS 15 H CYS 15 2.631 -8.178 -14.291 107 HA CYS 15 HA CYS 15 0.868 -6.464 -15.717 108 HB2 CYS 15 2HB CYS 15 0.747 -7.079 -13.250 109 HB3 CYS 15 3HB CYS 15 2.047 -5.922 -12.993 110 HG CYS 15 HG CYS 15 -0.009 -4.181 -14.641 111 H LEU 16 H LEU 16 4.122 -6.032 -14.369 112 HA LEU 16 HA LEU 16 4.411 -3.321 -15.063 113 HB2 LEU 16 2HB LEU 16 5.873 -4.326 -13.453 114 HB3 LEU 16 3HB LEU 16 6.449 -5.497 -14.637 115 HG LEU 16 HG LEU 16 7.083 -3.061 -15.778 116 HD11 LEU 16 1HD1 LEU 16 7.886 -2.918 -12.885 117 HD12 LEU 16 2HD1 LEU 16 6.486 -2.062 -13.532 118 HD13 LEU 16 3HD1 LEU 16 8.100 -1.701 -14.144 119 HD21 LEU 16 3HD2 LEU 16 8.810 -4.454 -16.042 120 HD22 LEU 16 1HD2 LEU 16 8.441 -5.334 -14.559 121 HD23 LEU 16 2HD2 LEU 16 9.379 -3.842 -14.488 122 H VAL 17 H VAL 17 5.364 -6.291 -16.759 123 HA VAL 17 HA VAL 17 6.537 -4.979 -18.981 124 HB VAL 17 HB VAL 17 6.928 -7.378 -18.320 125 HG11 VAL 17 1HG1 VAL 17 4.583 -8.002 -17.982 126 HG12 VAL 17 2HG1 VAL 17 4.283 -7.803 -19.710 127 HG13 VAL 17 3HG1 VAL 17 5.377 -9.066 -19.142 128 HG21 VAL 17 3HG2 VAL 17 7.789 -7.666 -20.358 129 HG22 VAL 17 1HG2 VAL 17 6.194 -7.685 -21.111 130 HG23 VAL 17 2HG2 VAL 17 7.004 -6.150 -20.799 131 H PHE 18 H PHE 18 3.279 -6.059 -18.248 132 HA PHE 18 HA PHE 18 2.194 -5.837 -20.836 133 HB2 PHE 18 2HB PHE 18 0.953 -7.029 -19.177 134 HB3 PHE 18 3HB PHE 18 0.934 -5.637 -18.100 135 HD1 PHE 18 HD1 PHE 18 -0.046 -6.389 -21.626 136 HD2 PHE 18 HD2 PHE 18 -1.080 -4.573 -17.918 137 HE1 PHE 18 HE1 PHE 18 -2.209 -5.695 -22.572 138 HE2 PHE 18 HE2 PHE 18 -3.244 -3.877 -18.858 139 HZ PHE 18 HZ PHE 18 -3.812 -4.438 -21.188 140 H VAL 19 H VAL 19 2.011 -3.557 -18.098 141 HA VAL 19 HA VAL 19 0.800 -1.472 -19.552 142 HB VAL 19 HB VAL 19 0.748 -1.502 -17.123 143 HG11 VAL 19 1HG1 VAL 19 3.653 -0.753 -17.067 144 HG12 VAL 19 2HG1 VAL 19 2.620 -1.281 -15.737 145 HG13 VAL 19 3HG1 VAL 19 3.128 -2.434 -16.972 146 HG21 VAL 19 3HG2 VAL 19 1.323 0.841 -16.695 147 HG22 VAL 19 1HG2 VAL 19 2.253 0.884 -18.193 148 HG23 VAL 19 2HG2 VAL 19 0.506 0.650 -18.245 149 H SER 20 H SER 20 4.182 -2.256 -18.909 150 HA SER 20 HA SER 20 5.340 0.092 -19.902 151 HB2 SER 20 2HB SER 20 6.740 -1.367 -18.661 152 HB3 SER 20 3HB SER 20 6.359 -2.741 -19.700 153 HG SER 20 HG SER 20 7.857 -2.125 -21.040 154 H ARG 21 H ARG 21 4.676 -2.996 -21.539 155 HA ARG 21 HA ARG 21 5.626 -2.178 -24.071 156 HB2 ARG 21 2HB ARG 21 3.832 -4.394 -23.130 157 HB3 ARG 21 3HB ARG 21 4.079 -4.114 -24.849 158 HG2 ARG 21 2HG ARG 21 6.342 -4.536 -22.918 159 HG3 ARG 21 3HG ARG 21 5.555 -5.851 -23.792 160 HD2 ARG 21 2HD ARG 21 6.659 -5.382 -25.673 161 HD3 ARG 21 3HD ARG 21 6.291 -3.663 -25.545 162 HE ARG 21 HE ARG 21 8.349 -4.526 -23.740 163 HH11 ARG 21 1HH1 ARG 21 7.661 -3.446 -26.977 164 HH12 ARG 21 2HH1 ARG 21 9.263 -2.848 -27.258 165 HH21 ARG 21 1HH2 ARG 21 10.461 -3.742 -24.097 166 HH22 ARG 21 2HH2 ARG 21 10.855 -3.018 -25.619 167 H LEU 22 H LEU 22 2.453 -2.051 -22.543 168 HA LEU 22 HA LEU 22 0.936 -1.336 -24.784 169 HB2 LEU 22 2HB LEU 22 -0.422 -1.867 -23.045 170 HB3 LEU 22 3HB LEU 22 0.637 -1.120 -21.850 171 HG LEU 22 HG LEU 22 -0.821 0.700 -23.680 172 HD11 LEU 22 1HD1 LEU 22 -2.618 -0.773 -23.227 173 HD12 LEU 22 2HD1 LEU 22 -2.799 0.594 -22.127 174 HD13 LEU 22 3HD1 LEU 22 -2.151 -0.935 -21.534 175 HD21 LEU 22 3HD2 LEU 22 -1.094 1.481 -21.035 176 HD22 LEU 22 1HD2 LEU 22 0.093 2.081 -22.193 177 HD23 LEU 22 2HD2 LEU 22 0.512 0.754 -21.110 178 H TRP 23 H TRP 23 2.647 0.679 -22.419 179 HA TRP 23 HA TRP 23 1.837 3.179 -23.332 180 HB2 TRP 23 2HB TRP 23 4.279 2.190 -21.902 181 HB3 TRP 23 3HB TRP 23 4.208 3.863 -22.447 182 HD1 TRP 23 HD1 TRP 23 1.107 4.377 -21.762 183 HE1 TRP 23 HE1 TRP 23 0.410 4.625 -19.297 184 HE3 TRP 23 HE3 TRP 23 5.086 2.046 -19.555 185 HZ2 TRP 23 HZ2 TRP 23 1.414 3.927 -16.753 186 HZ3 TRP 23 HZ3 TRP 23 5.141 1.879 -17.100 187 HH2 TRP 23 HH2 TRP 23 3.343 2.801 -15.730 188 H ASP 24 H ASP 24 4.401 1.058 -24.487 189 HA ASP 24 HA ASP 24 5.511 2.950 -26.313 190 HB2 ASP 24 2HB ASP 24 6.221 0.419 -25.350 191 HB3 ASP 24 3HB ASP 24 5.967 0.194 -27.079 192 H LEU 25 H LEU 25 3.255 0.233 -26.636 193 HA LEU 25 HA LEU 25 2.946 0.302 -29.410 194 HB2 LEU 25 2HB LEU 25 2.124 -1.471 -27.848 195 HB3 LEU 25 3HB LEU 25 0.809 -0.386 -27.401 196 HG LEU 25 HG LEU 25 0.276 -2.217 -29.075 197 HD11 LEU 25 1HD1 LEU 25 -0.661 0.378 -28.796 198 HD12 LEU 25 2HD1 LEU 25 -1.466 -0.953 -29.626 199 HD13 LEU 25 3HD1 LEU 25 -0.454 0.170 -30.535 200 HD21 LEU 25 3HD2 LEU 25 2.320 -2.004 -30.412 201 HD22 LEU 25 1HD2 LEU 25 1.820 -0.388 -30.911 202 HD23 LEU 25 2HD2 LEU 25 0.870 -1.793 -31.395 203 H ASP 26 H ASP 26 1.438 2.209 -26.878 204 HA ASP 26 HA ASP 26 -0.513 3.423 -28.579 205 HB2 ASP 26 2HB ASP 26 0.516 4.508 -25.956 206 HB3 ASP 26 3HB ASP 26 -1.045 4.816 -26.710 207 H LYS 27 H LYS 27 1.010 3.976 -30.325 208 HA LYS 27 HA LYS 27 3.060 5.872 -30.033 209 HB2 LYS 27 2HB LYS 27 2.005 4.363 -32.112 210 HB3 LYS 27 3HB LYS 27 1.688 6.022 -32.599 211 HG2 LYS 27 2HG LYS 27 4.345 5.906 -31.630 212 HG3 LYS 27 3HG LYS 27 4.113 4.558 -32.745 213 HD2 LYS 27 2HD LYS 27 3.907 5.912 -34.536 214 HD3 LYS 27 3HD LYS 27 2.993 7.127 -33.639 215 HE2 LYS 27 2HE LYS 27 5.655 7.065 -32.631 216 HE3 LYS 27 3HE LYS 27 5.727 7.168 -34.389 217 HZ1 LYS 27 3HZ LYS 27 4.902 9.237 -34.382 218 HZ2 LYS 27 1HZ LYS 27 5.409 9.272 -32.768 219 HZ3 LYS 27 2HZ LYS 27 3.796 8.923 -33.141 220 H LEU 28 H LEU 28 -0.394 6.206 -30.346 221 HA LEU 28 HA LEU 28 -0.561 8.876 -31.152 222 HB2 LEU 28 2HB LEU 28 -2.791 8.764 -30.627 223 HB3 LEU 28 3HB LEU 28 -2.391 7.059 -30.825 224 HG LEU 28 HG LEU 28 -2.012 7.296 -28.179 225 HD11 LEU 28 1HD1 LEU 28 -3.968 9.435 -28.952 226 HD12 LEU 28 2HD1 LEU 28 -2.590 9.538 -27.856 227 HD13 LEU 28 3HD1 LEU 28 -4.031 8.640 -27.379 228 HD21 LEU 28 3HD2 LEU 28 -4.743 6.930 -29.396 229 HD22 LEU 28 1HD2 LEU 28 -4.122 6.229 -27.901 230 HD23 LEU 28 2HD2 LEU 28 -3.471 5.709 -29.456 231 H GLY 29 H GLY 29 0.258 7.466 -28.088 232 HA2 GLY 29 2HA GLY 29 1.628 9.168 -26.767 233 HA3 GLY 29 3HA GLY 29 0.158 10.129 -26.824 234 H MET 30 H MET 30 -1.794 8.293 -26.325 235 HA MET 30 HA MET 30 -1.128 6.705 -24.017 236 HB2 MET 30 2HB MET 30 -1.280 8.994 -23.070 237 HB3 MET 30 3HB MET 30 -2.931 9.106 -23.665 238 HG2 MET 30 2HG MET 30 -3.572 8.310 -21.702 239 HG3 MET 30 3HG MET 30 -2.914 6.758 -22.215 240 HE1 MET 30 3HE MET 30 -2.336 8.782 -18.663 241 HE2 MET 30 1HE MET 30 -1.486 9.996 -19.620 242 HE3 MET 30 2HE MET 30 -3.109 9.484 -20.085 243 H PHE 31 H PHE 31 -2.078 4.967 -25.001 244 HA PHE 31 HA PHE 31 -4.948 5.199 -25.617 245 HB2 PHE 31 2HB PHE 31 -3.207 4.511 -27.434 246 HB3 PHE 31 3HB PHE 31 -3.227 2.952 -26.616 247 HD1 PHE 31 HD1 PHE 31 -5.896 5.411 -27.483 248 HD2 PHE 31 HD2 PHE 31 -4.422 1.434 -27.849 249 HE1 PHE 31 HE1 PHE 31 -7.914 4.782 -28.743 250 HE2 PHE 31 HE2 PHE 31 -6.437 0.800 -29.110 251 HZ PHE 31 HZ PHE 31 -8.186 2.475 -29.560 252 H HIS 32 H HIS 32 -6.259 4.282 -24.196 253 HA HIS 32 HA HIS 32 -5.951 1.653 -23.231 254 HB2 HIS 32 2HB HIS 32 -4.231 3.090 -21.870 255 HB3 HIS 32 3HB HIS 32 -5.660 3.619 -20.987 256 HD1 HIS 32 HD1 HIS 32 -3.968 2.265 -19.151 257 HD2 HIS 32 HD2 HIS 32 -6.335 0.052 -21.751 258 HE1 HIS 32 HE1 HIS 32 -4.159 -0.016 -18.109 259 H HIS 33 H HIS 33 -8.074 2.380 -24.396 260 HA HIS 33 HA HIS 33 -10.098 2.517 -22.331 261 HB2 HIS 33 2HB HIS 33 -11.324 4.364 -23.538 262 HB3 HIS 33 3HB HIS 33 -9.859 4.864 -22.699 263 HD1 HIS 33 HD1 HIS 33 -7.999 5.868 -24.092 264 HD2 HIS 33 HD2 HIS 33 -11.099 4.324 -26.387 265 HE1 HIS 33 HE1 HIS 33 -7.550 6.647 -26.440 266 HA PRO 34 HA PRO 34 -12.252 -0.166 -25.054 267 HB2 PRO 34 2HB PRO 34 -14.833 0.402 -24.431 268 HB3 PRO 34 3HB PRO 34 -13.759 -0.494 -23.350 269 HG2 PRO 34 2HG PRO 34 -14.521 2.401 -23.291 270 HG3 PRO 34 3HG PRO 34 -14.381 1.253 -21.947 271 HD2 PRO 34 2HD PRO 34 -12.448 3.057 -22.529 272 HD3 PRO 34 3HD PRO 34 -12.088 1.459 -21.844 273 H VAL 35 H VAL 35 -13.265 -0.243 -27.041 274 HA VAL 35 HA VAL 35 -13.269 2.154 -28.580 275 HB VAL 35 HB VAL 35 -13.988 0.788 -30.440 276 HG11 VAL 35 1HG1 VAL 35 -11.629 0.650 -29.632 277 HG12 VAL 35 2HG1 VAL 35 -12.066 -0.830 -28.775 278 HG13 VAL 35 3HG1 VAL 35 -12.172 -0.763 -30.535 279 HG21 VAL 35 3HG2 VAL 35 -14.924 -0.993 -28.284 280 HG22 VAL 35 1HG2 VAL 35 -15.594 -0.700 -29.889 281 HG23 VAL 35 2HG2 VAL 35 -14.222 -1.790 -29.692 282 H SER 36 H SER 36 -14.975 3.288 -29.470 283 HA SER 36 HA SER 36 -17.408 3.267 -27.937 284 HB2 SER 36 2HB SER 36 -16.067 5.264 -29.113 285 HB3 SER 36 3HB SER 36 -17.200 4.903 -30.416 286 HG SER 36 HG SER 36 -17.948 5.404 -27.724 287 H ALA 37 H ALA 37 -19.372 2.511 -28.505 288 HA ALA 37 HA ALA 37 -19.589 0.564 -30.539 289 HB1 ALA 37 1HB ALA 37 -22.034 1.842 -29.426 290 HB2 ALA 37 2HB ALA 37 -21.679 0.138 -29.716 291 HB3 ALA 37 3HB ALA 37 -20.968 0.963 -28.329 292 H GLU 38 H GLU 38 -20.443 3.970 -30.388 293 HA GLU 38 HA GLU 38 -22.102 4.214 -32.581 294 HB2 GLU 38 2HB GLU 38 -21.253 6.538 -32.767 295 HB3 GLU 38 3HB GLU 38 -21.674 6.089 -31.121 296 HG2 GLU 38 2HG GLU 38 -19.074 5.450 -31.101 297 HG3 GLU 38 3HG GLU 38 -19.053 6.743 -32.298 298 H GLU 39 H GLU 39 -18.570 4.083 -32.487 299 HA GLU 39 HA GLU 39 -18.433 4.262 -35.394 300 HB2 GLU 39 2HB GLU 39 -16.823 5.433 -33.758 301 HB3 GLU 39 3HB GLU 39 -16.094 3.847 -33.548 302 HG2 GLU 39 2HG GLU 39 -14.829 5.033 -35.174 303 HG3 GLU 39 3HG GLU 39 -15.722 3.758 -36.002 304 H LEU 40 H LEU 40 -18.254 1.922 -32.846 305 HA LEU 40 HA LEU 40 -17.748 -0.171 -34.852 306 HB2 LEU 40 2HB LEU 40 -16.624 0.068 -32.073 307 HB3 LEU 40 3HB LEU 40 -16.640 -1.451 -32.968 308 HG LEU 40 HG LEU 40 -15.435 0.304 -34.723 309 HD11 LEU 40 1HD1 LEU 40 -14.319 1.912 -33.671 310 HD12 LEU 40 2HD1 LEU 40 -13.744 0.800 -32.430 311 HD13 LEU 40 3HD1 LEU 40 -15.321 1.572 -32.260 312 HD21 LEU 40 3HD2 LEU 40 -13.757 -1.240 -32.813 313 HD22 LEU 40 1HD2 LEU 40 -13.665 -1.133 -34.571 314 HD23 LEU 40 2HD2 LEU 40 -14.918 -2.116 -33.812 315 HA PRO 41 HA PRO 41 -21.769 -0.966 -32.718 316 HB2 PRO 41 2HB PRO 41 -23.058 -1.758 -34.973 317 HB3 PRO 41 3HB PRO 41 -22.928 -0.064 -34.486 318 HG2 PRO 41 2HG PRO 41 -21.311 -1.587 -36.493 319 HG3 PRO 41 3HG PRO 41 -21.982 0.051 -36.607 320 HD2 PRO 41 2HD PRO 41 -19.384 -0.421 -36.006 321 HD3 PRO 41 3HD PRO 41 -20.275 0.972 -35.361 322 H ASP 42 H ASP 42 -19.565 -2.783 -34.635 323 HA ASP 42 HA ASP 42 -20.798 -5.298 -33.719 324 HB2 ASP 42 2HB ASP 42 -19.940 -6.404 -35.623 325 HB3 ASP 42 3HB ASP 42 -20.590 -4.884 -36.230 326 H TYR 43 H TYR 43 -18.814 -3.412 -32.413 327 HA TYR 43 HA TYR 43 -16.249 -4.444 -32.350 328 HB2 TYR 43 2HB TYR 43 -15.955 -3.305 -30.286 329 HB3 TYR 43 3HB TYR 43 -17.109 -2.349 -31.209 330 HD1 TYR 43 HD2 TYR 43 -19.637 -2.879 -30.733 331 HD2 TYR 43 HD1 TYR 43 -16.446 -3.840 -28.087 332 HE1 TYR 43 HE2 TYR 43 -21.228 -2.983 -28.861 333 HE2 TYR 43 HE1 TYR 43 -18.029 -3.948 -26.208 334 HH TYR 43 HH TYR 43 -20.149 -3.799 -25.575 335 H HIS 44 H HIS 44 -19.154 -5.594 -30.761 336 HA HIS 44 HA HIS 44 -17.909 -7.419 -28.994 337 HB2 HIS 44 2HB HIS 44 -20.616 -6.750 -29.818 338 HB3 HIS 44 3HB HIS 44 -20.416 -8.484 -29.580 339 HD1 HIS 44 HD1 HIS 44 -21.746 -5.949 -27.764 340 HD2 HIS 44 HD2 HIS 44 -18.634 -8.564 -26.907 341 HE1 HIS 44 HE1 HIS 44 -21.560 -5.974 -25.257 342 H THR 45 H THR 45 -19.037 -7.671 -32.317 343 HA THR 45 HA THR 45 -18.445 -10.508 -32.442 344 HB THR 45 HB THR 45 -19.308 -10.478 -34.659 345 HG1 THR 45 HG1 THR 45 -19.418 -8.683 -35.880 346 HG21 THR 45 3HG2 THR 45 -21.511 -9.571 -34.362 347 HG22 THR 45 1HG2 THR 45 -20.938 -8.451 -33.128 348 HG23 THR 45 2HG2 THR 45 -20.959 -10.185 -32.804 349 H VAL 46 H VAL 46 -16.730 -7.634 -32.780 350 HA VAL 46 HA VAL 46 -14.819 -8.720 -34.703 351 HB VAL 46 HB VAL 46 -14.894 -6.018 -33.352 352 HG11 VAL 46 1HG1 VAL 46 -13.056 -7.198 -35.416 353 HG12 VAL 46 2HG1 VAL 46 -13.259 -5.456 -35.221 354 HG13 VAL 46 3HG1 VAL 46 -12.640 -6.429 -33.885 355 HG21 VAL 46 3HG2 VAL 46 -16.538 -6.963 -35.340 356 HG22 VAL 46 1HG2 VAL 46 -16.183 -5.266 -35.017 357 HG23 VAL 46 2HG2 VAL 46 -15.264 -6.142 -36.242 358 H ILE 47 H ILE 47 -14.791 -7.346 -31.414 359 HA ILE 47 HA ILE 47 -12.338 -8.896 -30.894 360 HB ILE 47 HB ILE 47 -11.927 -7.194 -29.058 361 HG12 ILE 47 2HG1 ILE 47 -13.987 -5.648 -30.647 362 HG13 ILE 47 3HG1 ILE 47 -14.192 -6.242 -29.002 363 HG21 ILE 47 1HG2 ILE 47 -11.883 -6.047 -31.839 364 HG22 ILE 47 2HG2 ILE 47 -10.771 -5.716 -30.511 365 HG23 ILE 47 3HG2 ILE 47 -10.769 -7.298 -31.290 366 HD11 ILE 47 3HD1 ILE 47 -13.176 -3.768 -29.833 367 HD12 ILE 47 1HD1 ILE 47 -13.271 -4.407 -28.193 368 HD13 ILE 47 2HD1 ILE 47 -11.817 -4.664 -29.157 369 H LYS 48 H LYS 48 -15.497 -7.950 -29.728 370 HA LYS 48 HA LYS 48 -16.896 -8.962 -28.233 371 HB2 LYS 48 2HB LYS 48 -15.139 -11.016 -28.953 372 HB3 LYS 48 3HB LYS 48 -15.153 -11.031 -27.194 373 HG2 LYS 48 2HG LYS 48 -17.103 -12.070 -27.192 374 HG3 LYS 48 3HG LYS 48 -17.831 -10.763 -28.128 375 HD2 LYS 48 2HD LYS 48 -18.081 -12.906 -29.270 376 HD3 LYS 48 3HD LYS 48 -17.054 -11.811 -30.198 377 HE2 LYS 48 2HE LYS 48 -15.106 -12.980 -29.634 378 HE3 LYS 48 3HE LYS 48 -15.887 -13.809 -28.288 379 HZ1 LYS 48 3HZ LYS 48 -16.938 -15.279 -29.688 380 HZ2 LYS 48 1HZ LYS 48 -15.463 -15.065 -30.490 381 HZ3 LYS 48 2HZ LYS 48 -16.846 -14.258 -31.033 382 H ARG 49 H ARG 49 -13.609 -9.439 -26.922 383 HA ARG 49 HA ARG 49 -14.493 -8.099 -24.460 384 HB2 ARG 49 2HB ARG 49 -13.145 -10.504 -24.839 385 HB3 ARG 49 3HB ARG 49 -11.890 -9.386 -24.323 386 HG2 ARG 49 2HG ARG 49 -12.544 -9.631 -22.227 387 HG3 ARG 49 3HG ARG 49 -14.128 -8.975 -22.647 388 HD2 ARG 49 2HD ARG 49 -14.487 -11.441 -23.555 389 HD3 ARG 49 3HD ARG 49 -13.250 -11.797 -22.351 390 HE ARG 49 HE ARG 49 -15.980 -11.094 -21.860 391 HH11 ARG 49 1HH1 ARG 49 -12.751 -10.984 -20.564 392 HH12 ARG 49 2HH1 ARG 49 -13.275 -10.909 -18.914 393 HH21 ARG 49 1HH2 ARG 49 -16.683 -10.995 -19.692 394 HH22 ARG 49 2HH2 ARG 49 -15.512 -10.916 -18.420 395 HA PRO 50 HA PRO 50 -11.897 -4.825 -26.256 396 HB2 PRO 50 2HB PRO 50 -13.051 -2.837 -24.812 397 HB3 PRO 50 3HB PRO 50 -13.755 -3.474 -26.303 398 HG2 PRO 50 2HG PRO 50 -14.449 -4.106 -23.461 399 HG3 PRO 50 3HG PRO 50 -15.527 -3.819 -24.839 400 HD2 PRO 50 2HD PRO 50 -14.939 -6.305 -23.941 401 HD3 PRO 50 3HD PRO 50 -15.262 -5.959 -25.652 402 H VAL 51 H VAL 51 -10.995 -2.787 -24.830 403 HA VAL 51 HA VAL 51 -9.905 -3.870 -22.325 404 HB VAL 51 HB VAL 51 -8.184 -4.243 -23.986 405 HG11 VAL 51 1HG1 VAL 51 -7.792 -2.880 -25.699 406 HG12 VAL 51 2HG1 VAL 51 -9.168 -1.917 -25.159 407 HG13 VAL 51 3HG1 VAL 51 -7.537 -1.504 -24.626 408 HG21 VAL 51 3HG2 VAL 51 -6.395 -3.286 -22.844 409 HG22 VAL 51 1HG2 VAL 51 -7.284 -1.802 -22.500 410 HG23 VAL 51 2HG2 VAL 51 -7.685 -3.289 -21.642 411 H ASP 52 H ASP 52 -9.797 -2.444 -20.685 412 HA ASP 52 HA ASP 52 -10.044 0.418 -21.275 413 HB2 ASP 52 2HB ASP 52 -12.308 -0.329 -20.803 414 HB3 ASP 52 3HB ASP 52 -11.770 -1.114 -19.320 415 H LEU 53 H LEU 53 -9.350 1.809 -19.550 416 HA LEU 53 HA LEU 53 -7.081 0.758 -18.154 417 HB2 LEU 53 2HB LEU 53 -6.843 3.061 -17.299 418 HB3 LEU 53 3HB LEU 53 -6.965 2.974 -19.055 419 HG LEU 53 HG LEU 53 -9.550 3.429 -18.410 420 HD11 LEU 53 1HD1 LEU 53 -9.851 4.734 -16.560 421 HD12 LEU 53 2HD1 LEU 53 -8.175 5.280 -16.532 422 HD13 LEU 53 3HD1 LEU 53 -8.582 3.658 -15.974 423 HD21 LEU 53 3HD2 LEU 53 -9.049 5.029 -19.863 424 HD22 LEU 53 1HD2 LEU 53 -7.333 4.899 -19.477 425 HD23 LEU 53 2HD2 LEU 53 -8.369 5.974 -18.538 426 H SER 54 H SER 54 -10.264 1.991 -17.202 427 HA SER 54 HA SER 54 -9.853 1.731 -14.412 428 HB2 SER 54 2HB SER 54 -12.554 1.563 -15.733 429 HB3 SER 54 3HB SER 54 -12.136 2.260 -14.168 430 HG SER 54 HG SER 54 -12.457 3.910 -15.660 431 H SER 55 H SER 55 -11.128 -0.428 -16.882 432 HA SER 55 HA SER 55 -12.184 -2.412 -15.215 433 HB2 SER 55 2HB SER 55 -12.717 -2.493 -17.539 434 HB3 SER 55 3HB SER 55 -11.015 -2.544 -17.998 435 HG SER 55 HG SER 55 -12.377 -4.566 -16.541 436 H ILE 56 H ILE 56 -8.951 -2.158 -16.679 437 HA ILE 56 HA ILE 56 -7.903 -4.511 -15.557 438 HB ILE 56 HB ILE 56 -6.467 -1.993 -16.403 439 HG12 ILE 56 2HG1 ILE 56 -7.760 -3.144 -18.181 440 HG13 ILE 56 3HG1 ILE 56 -6.025 -3.185 -18.473 441 HG21 ILE 56 1HG2 ILE 56 -5.383 -4.735 -15.777 442 HG22 ILE 56 2HG2 ILE 56 -4.464 -3.437 -16.537 443 HG23 ILE 56 3HG2 ILE 56 -5.066 -3.244 -14.891 444 HD11 ILE 56 3HD1 ILE 56 -5.937 -5.476 -17.657 445 HD12 ILE 56 1HD1 ILE 56 -7.673 -5.436 -17.347 446 HD13 ILE 56 2HD1 ILE 56 -7.069 -5.313 -19.000 447 H ARG 57 H ARG 57 -7.749 -1.139 -14.445 448 HA ARG 57 HA ARG 57 -6.143 -1.471 -12.218 449 HB2 ARG 57 2HB ARG 57 -6.866 0.720 -13.047 450 HB3 ARG 57 3HB ARG 57 -8.512 0.381 -12.532 451 HG2 ARG 57 2HG ARG 57 -7.433 1.842 -10.948 452 HG3 ARG 57 3HG ARG 57 -7.742 0.273 -10.201 453 HD2 ARG 57 2HD ARG 57 -5.534 -0.248 -10.058 454 HD3 ARG 57 3HD ARG 57 -5.119 0.641 -11.523 455 HE ARG 57 HE ARG 57 -5.795 2.577 -9.726 456 HH11 ARG 57 1HH1 ARG 57 -3.518 -0.056 -9.760 457 HH12 ARG 57 2HH1 ARG 57 -2.377 0.745 -8.732 458 HH21 ARG 57 1HH2 ARG 57 -4.300 3.642 -8.371 459 HH22 ARG 57 2HH2 ARG 57 -2.823 2.848 -7.942 460 H ASP 58 H ASP 58 -9.615 -2.012 -12.562 461 HA ASP 58 HA ASP 58 -10.057 -2.578 -9.799 462 HB2 ASP 58 2HB ASP 58 -11.854 -1.804 -11.312 463 HB3 ASP 58 3HB ASP 58 -11.744 -3.322 -12.198 464 H GLY 59 H GLY 59 -9.280 -4.496 -12.638 465 HA2 GLY 59 2HA GLY 59 -9.832 -7.044 -11.574 466 HA3 GLY 59 3HA GLY 59 -8.708 -6.705 -12.882 467 H ILE 60 H ILE 60 -6.796 -5.191 -11.649 468 HA ILE 60 HA ILE 60 -5.263 -7.165 -10.319 469 HB ILE 60 HB ILE 60 -4.847 -4.223 -10.775 470 HG12 ILE 60 2HG1 ILE 60 -2.797 -5.338 -11.985 471 HG13 ILE 60 3HG1 ILE 60 -3.798 -6.785 -11.921 472 HG21 ILE 60 1HG2 ILE 60 -3.725 -4.424 -8.762 473 HG22 ILE 60 2HG2 ILE 60 -3.261 -6.097 -9.070 474 HG23 ILE 60 3HG2 ILE 60 -2.459 -4.786 -9.935 475 HD11 ILE 60 3HD1 ILE 60 -5.553 -5.642 -13.147 476 HD12 ILE 60 1HD1 ILE 60 -4.585 -4.168 -13.181 477 HD13 ILE 60 2HD1 ILE 60 -4.032 -5.607 -14.040 478 H GLU 61 H GLU 61 -7.067 -4.345 -9.193 479 HA GLU 61 HA GLU 61 -6.194 -4.384 -6.522 480 HB2 GLU 61 2HB GLU 61 -7.623 -2.634 -7.876 481 HB3 GLU 61 3HB GLU 61 -8.977 -3.538 -7.213 482 HG2 GLU 61 2HG GLU 61 -7.259 -3.075 -5.059 483 HG3 GLU 61 3HG GLU 61 -7.313 -1.563 -5.965 484 H LYS 62 H LYS 62 -8.877 -6.008 -8.145 485 HA LYS 62 HA LYS 62 -9.888 -7.180 -5.723 486 HB2 LYS 62 2HB LYS 62 -11.488 -8.284 -7.114 487 HB3 LYS 62 3HB LYS 62 -11.294 -6.650 -7.733 488 HG2 LYS 62 2HG LYS 62 -10.020 -7.396 -9.577 489 HG3 LYS 62 3HG LYS 62 -9.822 -9.006 -8.879 490 HD2 LYS 62 2HD LYS 62 -12.590 -8.041 -9.352 491 HD3 LYS 62 3HD LYS 62 -11.627 -8.483 -10.763 492 HE2 LYS 62 2HE LYS 62 -11.499 -10.693 -10.152 493 HE3 LYS 62 3HE LYS 62 -11.696 -10.341 -8.436 494 HZ1 LYS 62 3HZ LYS 62 -13.913 -10.461 -8.586 495 HZ2 LYS 62 1HZ LYS 62 -13.627 -11.321 -10.015 496 HZ3 LYS 62 2HZ LYS 62 -13.977 -9.668 -10.078 497 H GLY 63 H GLY 63 -7.530 -8.015 -8.112 498 HA2 GLY 63 2HA GLY 63 -5.871 -9.657 -7.800 499 HA3 GLY 63 3HA GLY 63 -6.897 -10.434 -6.602 500 H THR 64 H THR 64 -8.137 -9.491 -9.719 501 HA THR 64 HA THR 64 -9.352 -11.847 -10.358 502 HB THR 64 HB THR 64 -8.038 -10.190 -12.502 503 HG1 THR 64 HG1 THR 64 -10.033 -8.897 -12.298 504 HG21 THR 64 3HG2 THR 64 -9.608 -11.041 -13.908 505 HG22 THR 64 1HG2 THR 64 -10.842 -11.131 -12.652 506 HG23 THR 64 2HG2 THR 64 -9.587 -12.366 -12.744 507 H TYR 65 H TYR 65 -5.982 -10.984 -10.871 508 HA TYR 65 HA TYR 65 -5.288 -13.164 -12.522 509 HB2 TYR 65 2HB TYR 65 -3.624 -11.460 -10.662 510 HB3 TYR 65 3HB TYR 65 -2.943 -12.662 -11.752 511 HD1 TYR 65 HD2 TYR 65 -4.642 -12.229 -14.154 512 HD2 TYR 65 HD1 TYR 65 -2.812 -9.439 -11.514 513 HE1 TYR 65 HE2 TYR 65 -4.588 -10.562 -15.962 514 HE2 TYR 65 HE1 TYR 65 -2.753 -7.764 -13.315 515 HH TYR 65 HH TYR 65 -4.283 -8.360 -16.428 516 H ALA 66 H ALA 66 -5.423 -15.236 -12.004 517 HA ALA 66 HA ALA 66 -5.370 -16.091 -9.236 518 HB1 ALA 66 1HB ALA 66 -7.004 -17.034 -10.819 519 HB2 ALA 66 2HB ALA 66 -5.676 -17.743 -11.740 520 HB3 ALA 66 3HB ALA 66 -5.984 -18.271 -10.085 521 H THR 67 H THR 67 -3.362 -16.352 -12.116 522 HA THR 67 HA THR 67 -1.017 -16.830 -10.566 523 HB THR 67 HB THR 67 -0.889 -19.064 -12.269 524 HG1 THR 67 HG1 THR 67 -3.199 -19.021 -12.313 525 HG21 THR 67 3HG2 THR 67 -1.209 -18.746 -9.290 526 HG22 THR 67 1HG2 THR 67 0.277 -19.012 -10.202 527 HG23 THR 67 2HG2 THR 67 -0.914 -20.305 -10.059 528 H ASP 68 H ASP 68 0.784 -17.694 -12.270 529 HA ASP 68 HA ASP 68 1.174 -15.584 -14.065 530 HB2 ASP 68 2HB ASP 68 2.449 -18.328 -14.020 531 HB3 ASP 68 3HB ASP 68 3.034 -16.965 -14.970 532 H VAL 69 H VAL 69 -0.359 -18.695 -14.462 533 HA VAL 69 HA VAL 69 -0.377 -18.744 -17.297 534 HB VAL 69 HB VAL 69 -2.240 -20.097 -15.341 535 HG11 VAL 69 1HG1 VAL 69 -2.768 -21.613 -17.198 536 HG12 VAL 69 2HG1 VAL 69 -3.244 -19.951 -17.552 537 HG13 VAL 69 3HG1 VAL 69 -1.783 -20.624 -18.276 538 HG21 VAL 69 3HG2 VAL 69 -0.130 -20.958 -14.882 539 HG22 VAL 69 1HG2 VAL 69 -0.774 -22.098 -16.063 540 HG23 VAL 69 2HG2 VAL 69 0.383 -20.866 -16.566 541 H ASP 70 H ASP 70 -2.846 -17.799 -14.914 542 HA ASP 70 HA ASP 70 -4.804 -17.032 -16.780 543 HB2 ASP 70 2HB ASP 70 -4.785 -17.315 -14.096 544 HB3 ASP 70 3HB ASP 70 -4.702 -15.559 -14.211 545 H VAL 71 H VAL 71 -2.166 -15.252 -15.263 546 HA VAL 71 HA VAL 71 -2.912 -12.686 -16.200 547 HB VAL 71 HB VAL 71 -0.205 -13.754 -15.389 548 HG11 VAL 71 1HG1 VAL 71 0.463 -11.904 -16.536 549 HG12 VAL 71 2HG1 VAL 71 -1.086 -11.082 -16.336 550 HG13 VAL 71 3HG1 VAL 71 0.062 -11.143 -14.997 551 HG21 VAL 71 3HG2 VAL 71 -1.394 -11.818 -13.624 552 HG22 VAL 71 1HG2 VAL 71 -2.489 -13.177 -13.879 553 HG23 VAL 71 2HG2 VAL 71 -0.854 -13.462 -13.282 554 H GLN 72 H GLN 72 -0.741 -15.177 -17.480 555 HA GLN 72 HA GLN 72 0.240 -13.698 -19.661 556 HB2 GLN 72 2HB GLN 72 1.368 -15.705 -18.969 557 HB3 GLN 72 3HB GLN 72 -0.072 -16.674 -19.259 558 HG2 GLN 72 2HG GLN 72 0.598 -15.314 -21.664 559 HG3 GLN 72 3HG GLN 72 2.047 -16.093 -21.032 560 HE21 GLN 72 1HE2 GLN 72 -1.359 -17.043 -20.895 561 HE22 GLN 72 2HE2 GLN 72 -1.148 -18.563 -21.689 562 H ASN 73 H ASN 73 -2.493 -15.949 -19.403 563 HA ASN 73 HA ASN 73 -3.268 -15.831 -22.106 564 HB2 ASN 73 2HB ASN 73 -4.178 -17.104 -19.749 565 HB3 ASN 73 3HB ASN 73 -5.551 -16.217 -20.405 566 HD21 ASN 73 1HD2 ASN 73 -5.060 -19.092 -20.234 567 HD22 ASN 73 2HD2 ASN 73 -5.174 -19.689 -21.851 568 H ASP 74 H ASP 74 -4.322 -13.975 -19.275 569 HA ASP 74 HA ASP 74 -6.326 -12.475 -20.520 570 HB2 ASP 74 2HB ASP 74 -5.770 -12.650 -18.024 571 HB3 ASP 74 3HB ASP 74 -4.561 -11.405 -18.325 572 H VAL 75 H VAL 75 -2.888 -11.707 -20.025 573 HA VAL 75 HA VAL 75 -2.909 -9.194 -21.264 574 HB VAL 75 HB VAL 75 -0.634 -11.176 -21.090 575 HG11 VAL 75 1HG1 VAL 75 0.226 -9.705 -22.596 576 HG12 VAL 75 2HG1 VAL 75 -0.821 -8.384 -22.073 577 HG13 VAL 75 3HG1 VAL 75 0.597 -8.819 -21.117 578 HG21 VAL 75 3HG2 VAL 75 -1.980 -9.852 -19.048 579 HG22 VAL 75 1HG2 VAL 75 -0.395 -10.619 -18.947 580 HG23 VAL 75 2HG2 VAL 75 -0.520 -8.898 -19.312 581 H ALA 76 H ALA 76 -2.348 -12.430 -22.584 582 HA ALA 76 HA ALA 76 -1.611 -11.663 -25.179 583 HB1 ALA 76 1HB ALA 76 -2.570 -14.142 -23.891 584 HB2 ALA 76 2HB ALA 76 -2.753 -14.042 -25.643 585 HB3 ALA 76 3HB ALA 76 -1.159 -13.862 -24.912 586 H ARG 77 H ARG 77 -4.779 -12.281 -23.736 587 HA ARG 77 HA ARG 77 -6.245 -12.038 -26.159 588 HB2 ARG 77 2HB ARG 77 -6.807 -12.719 -23.491 589 HB3 ARG 77 3HB ARG 77 -7.793 -11.304 -23.836 590 HG2 ARG 77 2HG ARG 77 -9.257 -12.611 -24.851 591 HG3 ARG 77 3HG ARG 77 -8.034 -13.009 -26.059 592 HD2 ARG 77 2HD ARG 77 -7.303 -14.900 -24.811 593 HD3 ARG 77 3HD ARG 77 -8.269 -14.426 -23.414 594 HE ARG 77 HE ARG 77 -10.072 -15.444 -24.375 595 HH11 ARG 77 1HH1 ARG 77 -7.667 -14.872 -26.826 596 HH12 ARG 77 2HH1 ARG 77 -8.522 -15.746 -28.054 597 HH21 ARG 77 1HH2 ARG 77 -11.207 -16.597 -25.983 598 HH22 ARG 77 2HH2 ARG 77 -10.536 -16.726 -27.573 599 H MET 78 H MET 78 -5.242 -9.772 -23.665 600 HA MET 78 HA MET 78 -6.841 -7.595 -24.500 601 HB2 MET 78 2HB MET 78 -5.365 -8.013 -22.328 602 HB3 MET 78 3HB MET 78 -4.178 -7.106 -23.255 603 HG2 MET 78 2HG MET 78 -5.312 -5.546 -21.905 604 HG3 MET 78 3HG MET 78 -5.917 -5.322 -23.545 605 HE1 MET 78 3HE MET 78 -8.163 -7.318 -20.070 606 HE2 MET 78 1HE MET 78 -7.142 -8.336 -21.086 607 HE3 MET 78 2HE MET 78 -6.430 -7.006 -20.173 608 H ILE 79 H ILE 79 -3.471 -8.478 -25.205 609 HA ILE 79 HA ILE 79 -2.955 -6.267 -26.896 610 HB ILE 79 HB ILE 79 -1.006 -7.561 -27.686 611 HG12 ILE 79 2HG1 ILE 79 -2.208 -9.747 -25.975 612 HG13 ILE 79 3HG1 ILE 79 -1.953 -9.792 -27.716 613 HG21 ILE 79 1HG2 ILE 79 -1.391 -7.667 -24.697 614 HG22 ILE 79 2HG2 ILE 79 0.151 -7.666 -25.551 615 HG23 ILE 79 3HG2 ILE 79 -0.894 -6.247 -25.617 616 HD11 ILE 79 3HD1 ILE 79 -0.061 -10.851 -27.245 617 HD12 ILE 79 1HD1 ILE 79 0.559 -9.279 -26.741 618 HD13 ILE 79 2HD1 ILE 79 -0.122 -10.384 -25.546 619 H THR 80 H THR 80 -4.175 -9.518 -27.478 620 HA THR 80 HA THR 80 -4.021 -9.472 -30.295 621 HB THR 80 HB THR 80 -5.896 -11.020 -28.497 622 HG1 THR 80 HG1 THR 80 -4.183 -12.207 -28.181 623 HG21 THR 80 3HG2 THR 80 -6.150 -12.529 -30.446 624 HG22 THR 80 1HG2 THR 80 -5.257 -11.368 -31.428 625 HG23 THR 80 2HG2 THR 80 -6.816 -10.921 -30.735 626 H ASN 81 H ASN 81 -6.677 -8.690 -28.065 627 HA ASN 81 HA ASN 81 -8.560 -8.048 -30.071 628 HB2 ASN 81 2HB ASN 81 -8.345 -7.433 -27.137 629 HB3 ASN 81 3HB ASN 81 -9.631 -6.724 -28.109 630 HD21 ASN 81 1HD2 ASN 81 -8.111 -9.928 -28.082 631 HD22 ASN 81 2HD2 ASN 81 -9.580 -10.810 -27.856 632 H ALA 82 H ALA 82 -6.235 -6.104 -28.253 633 HA ALA 82 HA ALA 82 -7.073 -3.580 -29.187 634 HB1 ALA 82 1HB ALA 82 -4.397 -4.517 -28.167 635 HB2 ALA 82 2HB ALA 82 -4.798 -2.831 -28.494 636 HB3 ALA 82 3HB ALA 82 -5.675 -3.721 -27.250 637 H LEU 83 H LEU 83 -4.676 -5.883 -30.408 638 HA LEU 83 HA LEU 83 -3.750 -4.209 -32.514 639 HB2 LEU 83 2HB LEU 83 -2.891 -6.528 -31.381 640 HB3 LEU 83 3HB LEU 83 -3.551 -7.112 -32.906 641 HG LEU 83 HG LEU 83 -1.231 -6.766 -33.239 642 HD11 LEU 83 1HD1 LEU 83 -2.349 -4.241 -34.380 643 HD12 LEU 83 2HD1 LEU 83 -2.965 -5.804 -34.916 644 HD13 LEU 83 3HD1 LEU 83 -1.255 -5.417 -35.111 645 HD21 LEU 83 3HD2 LEU 83 -1.597 -3.979 -32.144 646 HD22 LEU 83 1HD2 LEU 83 -0.095 -4.678 -32.750 647 HD23 LEU 83 2HD2 LEU 83 -0.843 -5.324 -31.288 648 H GLU 84 H GLU 84 -6.366 -6.493 -32.179 649 HA GLU 84 HA GLU 84 -6.911 -6.925 -34.907 650 HB2 GLU 84 2HB GLU 84 -7.946 -8.414 -33.418 651 HB3 GLU 84 3HB GLU 84 -8.567 -7.115 -32.409 652 HG2 GLU 84 2HG GLU 84 -10.347 -6.708 -33.778 653 HG3 GLU 84 3HG GLU 84 -9.516 -7.295 -35.217 654 H TYR 85 H TYR 85 -8.067 -4.481 -32.626 655 HA TYR 85 HA TYR 85 -9.692 -3.209 -34.666 656 HB2 TYR 85 2HB TYR 85 -10.651 -3.210 -32.485 657 HB3 TYR 85 3HB TYR 85 -9.171 -2.594 -31.757 658 HD1 TYR 85 HD2 TYR 85 -11.434 -1.536 -34.547 659 HD2 TYR 85 HD1 TYR 85 -9.343 -0.427 -31.012 660 HE1 TYR 85 HE2 TYR 85 -12.287 0.760 -34.770 661 HE2 TYR 85 HE1 TYR 85 -10.191 1.872 -31.224 662 HH TYR 85 HH TYR 85 -12.555 2.841 -32.593 663 H ASN 86 H ASN 86 -6.636 -2.719 -33.023 664 HA ASN 86 HA ASN 86 -6.238 -0.093 -34.163 665 HB2 ASN 86 2HB ASN 86 -5.362 -0.899 -31.891 666 HB3 ASN 86 3HB ASN 86 -4.135 -1.771 -32.805 667 HD21 ASN 86 1HD2 ASN 86 -5.225 1.284 -31.676 668 HD22 ASN 86 2HD2 ASN 86 -3.876 2.214 -32.224 669 H ALA 87 H ALA 87 -6.194 -3.046 -35.486 670 HA ALA 87 HA ALA 87 -3.732 -3.140 -36.877 671 HB1 ALA 87 1HB ALA 87 -6.367 -4.499 -37.150 672 HB2 ALA 87 2HB ALA 87 -5.211 -4.609 -38.479 673 HB3 ALA 87 3HB ALA 87 -4.765 -5.184 -36.872 674 H LYS 88 H LYS 88 -3.239 -1.227 -37.885 675 HA LYS 88 HA LYS 88 -5.147 0.034 -39.663 676 HB2 LYS 88 2HB LYS 88 -3.076 0.993 -38.146 677 HB3 LYS 88 3HB LYS 88 -2.361 0.963 -39.752 678 HG2 LYS 88 2HG LYS 88 -3.339 2.907 -40.148 679 HG3 LYS 88 3HG LYS 88 -4.898 2.080 -40.093 680 HD2 LYS 88 2HD LYS 88 -4.744 2.391 -37.548 681 HD3 LYS 88 3HD LYS 88 -3.476 3.565 -37.904 682 HE2 LYS 88 2HE LYS 88 -5.716 4.054 -39.609 683 HE3 LYS 88 3HE LYS 88 -6.275 3.945 -37.940 684 HZ1 LYS 88 3HZ LYS 88 -4.119 5.722 -38.947 685 HZ2 LYS 88 1HZ LYS 88 -4.596 5.592 -37.329 686 HZ3 LYS 88 2HZ LYS 88 -5.673 6.203 -38.482 687 H GLY 89 H GLY 89 -3.485 0.966 -41.684 688 HA2 GLY 89 2HA GLY 89 -2.735 -1.531 -43.076 689 HA3 GLY 89 3HA GLY 89 -3.619 -0.239 -43.874 690 H SER 90 H SER 90 -1.299 0.884 -41.672 691 HA SER 90 HA SER 90 0.636 1.304 -43.856 692 HB2 SER 90 2HB SER 90 -0.753 3.340 -43.083 693 HB3 SER 90 3HB SER 90 0.230 3.281 -41.620 694 HG SER 90 HG SER 90 1.173 4.664 -43.136 695 H THR 91 H THR 91 2.583 2.594 -42.314 696 HA THR 91 HA THR 91 4.112 0.504 -41.368 697 HB THR 91 HB THR 91 4.282 3.343 -40.343 698 HG1 THR 91 HG1 THR 91 5.644 2.253 -42.588 699 HG21 THR 91 3HG2 THR 91 5.892 0.959 -39.984 700 HG22 THR 91 1HG2 THR 91 5.986 2.514 -39.158 701 HG23 THR 91 2HG2 THR 91 6.825 2.278 -40.692 702 H TRP 92 H TRP 92 1.607 2.282 -39.744 703 HA TRP 92 HA TRP 92 2.258 1.703 -37.078 704 HB2 TRP 92 2HB TRP 92 0.403 3.248 -38.135 705 HB3 TRP 92 3HB TRP 92 -0.601 1.811 -37.956 706 HD1 TRP 92 HD1 TRP 92 0.036 0.729 -35.192 707 HE1 TRP 92 HE1 TRP 92 -0.378 2.089 -33.046 708 HE3 TRP 92 HE3 TRP 92 -0.005 5.429 -37.203 709 HZ2 TRP 92 HZ2 TRP 92 -0.683 4.795 -32.304 710 HZ3 TRP 92 HZ3 TRP 92 -0.364 7.349 -35.707 711 HH2 TRP 92 HH2 TRP 92 -0.697 7.037 -33.309 712 H TYR 93 H TYR 93 0.430 -0.122 -39.485 713 HA TYR 93 HA TYR 93 -0.454 -2.161 -37.730 714 HB2 TYR 93 2HB TYR 93 -1.436 -1.664 -39.980 715 HB3 TYR 93 3HB TYR 93 -0.003 -2.377 -40.712 716 HD1 TYR 93 HD1 TYR 93 -1.924 -3.543 -37.745 717 HD2 TYR 93 HD2 TYR 93 -0.807 -4.290 -41.782 718 HE1 TYR 93 HE1 TYR 93 -2.970 -5.765 -37.616 719 HE2 TYR 93 HE2 TYR 93 -1.851 -6.514 -41.664 720 HH TYR 93 HH TYR 93 -3.806 -7.488 -38.964 721 H GLN 94 H GLN 94 2.406 -1.785 -39.757 722 HA GLN 94 HA GLN 94 3.410 -4.404 -39.430 723 HB2 GLN 94 2HB GLN 94 4.382 -1.850 -40.495 724 HB3 GLN 94 3HB GLN 94 5.647 -2.859 -39.807 725 HG2 GLN 94 2HG GLN 94 4.829 -4.727 -41.244 726 HG3 GLN 94 3HG GLN 94 3.744 -3.575 -42.021 727 HE21 GLN 94 1HE2 GLN 94 4.543 -3.273 -43.984 728 HE22 GLN 94 2HE2 GLN 94 6.176 -2.847 -44.352 729 H GLU 95 H GLU 95 4.108 -1.371 -37.715 730 HA GLU 95 HA GLU 95 6.000 -2.477 -35.933 731 HB2 GLU 95 2HB GLU 95 5.670 -0.427 -34.619 732 HB3 GLU 95 3HB GLU 95 5.868 -0.077 -36.330 733 HG2 GLU 95 2HG GLU 95 3.457 0.198 -36.561 734 HG3 GLU 95 3HG GLU 95 3.249 -0.167 -34.849 735 H ALA 96 H ALA 96 2.504 -2.089 -35.780 736 HA ALA 96 HA ALA 96 2.180 -2.796 -33.066 737 HB1 ALA 96 1HB ALA 96 0.507 -1.712 -34.722 738 HB2 ALA 96 2HB ALA 96 0.092 -3.378 -35.126 739 HB3 ALA 96 3HB ALA 96 -0.098 -2.799 -33.471 740 H MET 97 H MET 97 1.981 -4.717 -36.052 741 HA MET 97 HA MET 97 1.390 -7.164 -34.750 742 HB2 MET 97 2HB MET 97 1.227 -6.404 -37.291 743 HB3 MET 97 3HB MET 97 2.817 -7.151 -37.366 744 HG2 MET 97 2HG MET 97 1.393 -9.053 -36.052 745 HG3 MET 97 3HG MET 97 0.169 -8.367 -37.117 746 HE1 MET 97 3HE MET 97 3.411 -10.572 -36.887 747 HE2 MET 97 1HE MET 97 4.101 -10.337 -38.493 748 HE3 MET 97 2HE MET 97 4.013 -8.984 -37.365 749 H SER 98 H SER 98 4.403 -5.699 -35.897 750 HA SER 98 HA SER 98 6.104 -7.861 -35.373 751 HB2 SER 98 2HB SER 98 6.459 -4.928 -35.744 752 HB3 SER 98 3HB SER 98 7.797 -5.821 -35.020 753 HG SER 98 HG SER 98 7.226 -7.310 -36.968 754 H PHE 99 H PHE 99 5.082 -5.165 -33.321 755 HA PHE 99 HA PHE 99 6.715 -5.875 -31.107 756 HB2 PHE 99 2HB PHE 99 4.430 -4.009 -31.560 757 HB3 PHE 99 3HB PHE 99 4.855 -4.418 -29.901 758 HD1 PHE 99 HD2 PHE 99 6.981 -3.839 -32.904 759 HD2 PHE 99 HD1 PHE 99 5.895 -2.579 -28.986 760 HE1 PHE 99 HE2 PHE 99 8.773 -2.155 -32.953 761 HE2 PHE 99 HE1 PHE 99 7.686 -0.892 -29.029 762 HZ PHE 99 HZ PHE 99 9.128 -0.679 -31.014 763 H ARG 100 H ARG 100 3.396 -6.614 -32.037 764 HA ARG 100 HA ARG 100 2.496 -7.772 -29.674 765 HB2 ARG 100 2HB ARG 100 1.143 -7.260 -31.748 766 HB3 ARG 100 3HB ARG 100 1.791 -8.739 -32.445 767 HG2 ARG 100 2HG ARG 100 0.860 -9.740 -30.157 768 HG3 ARG 100 3HG ARG 100 -0.233 -8.364 -30.325 769 HD2 ARG 100 2HD ARG 100 -1.421 -9.879 -31.527 770 HD3 ARG 100 3HD ARG 100 -0.370 -9.294 -32.816 771 HE ARG 100 HE ARG 100 0.649 -11.345 -32.871 772 HH11 ARG 100 1HH1 ARG 100 -1.211 -11.066 -29.941 773 HH12 ARG 100 2HH1 ARG 100 -0.999 -12.727 -29.495 774 HH21 ARG 100 1HH2 ARG 100 0.935 -13.533 -32.294 775 HH22 ARG 100 2HH2 ARG 100 0.222 -14.129 -30.833 776 H LYS 101 H LYS 101 4.734 -8.956 -32.030 777 HA LYS 101 HA LYS 101 4.549 -11.720 -31.340 778 HB2 LYS 101 2HB LYS 101 6.122 -12.064 -32.953 779 HB3 LYS 101 3HB LYS 101 5.605 -10.455 -33.442 780 HG2 LYS 101 2HG LYS 101 7.509 -9.651 -31.870 781 HG3 LYS 101 3HG LYS 101 8.111 -11.299 -32.059 782 HD2 LYS 101 2HD LYS 101 8.222 -11.036 -34.451 783 HD3 LYS 101 3HD LYS 101 7.453 -9.450 -34.351 784 HE2 LYS 101 2HE LYS 101 9.723 -8.964 -34.593 785 HE3 LYS 101 3HE LYS 101 9.434 -8.798 -32.862 786 HZ1 LYS 101 3HZ LYS 101 11.474 -10.040 -33.388 787 HZ2 LYS 101 1HZ LYS 101 10.546 -11.228 -34.156 788 HZ3 LYS 101 2HZ LYS 101 10.371 -10.961 -32.495 789 H THR 102 H THR 102 6.207 -8.984 -30.031 790 HA THR 102 HA THR 102 7.805 -10.736 -28.289 791 HB THR 102 HB THR 102 9.109 -9.082 -29.566 792 HG1 THR 102 HG1 THR 102 10.292 -9.198 -27.822 793 HG21 THR 102 3HG2 THR 102 7.370 -7.102 -28.101 794 HG22 THR 102 1HG2 THR 102 7.554 -7.293 -29.844 795 HG23 THR 102 2HG2 THR 102 8.892 -6.670 -28.879 796 H TYR 103 H TYR 103 5.018 -8.891 -28.336 797 HA TYR 103 HA TYR 103 5.046 -7.669 -25.802 798 HB2 TYR 103 2HB TYR 103 3.365 -7.495 -27.841 799 HB3 TYR 103 3HB TYR 103 2.491 -8.724 -26.933 800 HD1 TYR 103 HD1 TYR 103 2.811 -7.939 -24.174 801 HD2 TYR 103 HD2 TYR 103 2.237 -5.490 -27.606 802 HE1 TYR 103 HE1 TYR 103 1.822 -6.191 -22.754 803 HE2 TYR 103 HE2 TYR 103 1.248 -3.735 -26.195 804 HH TYR 103 HH TYR 103 -0.031 -3.993 -23.566 805 H LEU 104 H LEU 104 3.592 -10.756 -26.835 806 HA LEU 104 HA LEU 104 2.905 -11.547 -24.189 807 HB2 LEU 104 2HB LEU 104 2.591 -13.806 -25.276 808 HB3 LEU 104 3HB LEU 104 1.618 -12.482 -25.912 809 HG LEU 104 HG LEU 104 4.051 -12.715 -27.420 810 HD11 LEU 104 1HD1 LEU 104 2.374 -15.217 -27.310 811 HD12 LEU 104 2HD1 LEU 104 3.999 -15.054 -26.646 812 HD13 LEU 104 3HD1 LEU 104 3.739 -14.906 -28.384 813 HD21 LEU 104 3HD2 LEU 104 1.222 -13.308 -28.262 814 HD22 LEU 104 1HD2 LEU 104 2.559 -12.746 -29.265 815 HD23 LEU 104 2HD2 LEU 104 1.852 -11.673 -28.058 816 H ASP 105 H ASP 105 5.602 -12.266 -26.352 817 HA ASP 105 HA ASP 105 6.837 -14.285 -24.895 818 HB2 ASP 105 2HB ASP 105 7.445 -12.766 -27.161 819 HB3 ASP 105 3HB ASP 105 8.780 -12.468 -26.052 820 H LEU 106 H LEU 106 7.342 -10.769 -24.686 821 HA LEU 106 HA LEU 106 9.248 -10.879 -22.606 822 HB2 LEU 106 2HB LEU 106 7.621 -8.810 -23.925 823 HB3 LEU 106 3HB LEU 106 8.125 -8.438 -22.278 824 HG LEU 106 HG LEU 106 9.617 -7.535 -24.067 825 HD11 LEU 106 1HD1 LEU 106 10.242 -8.347 -21.622 826 HD12 LEU 106 2HD1 LEU 106 11.455 -7.731 -22.743 827 HD13 LEU 106 3HD1 LEU 106 11.256 -9.470 -22.529 828 HD21 LEU 106 3HD2 LEU 106 10.787 -10.238 -24.428 829 HD22 LEU 106 1HD2 LEU 106 10.777 -8.851 -25.517 830 HD23 LEU 106 2HD2 LEU 106 9.329 -9.844 -25.340 831 H ALA 107 H ALA 107 5.859 -11.292 -22.625 832 HA ALA 107 HA ALA 107 5.752 -10.945 -19.700 833 HB1 ALA 107 1HB ALA 107 3.215 -11.159 -21.185 834 HB2 ALA 107 2HB ALA 107 3.667 -10.099 -19.848 835 HB3 ALA 107 3HB ALA 107 4.169 -9.707 -21.492 836 H ARG 108 H ARG 108 6.875 -13.266 -20.625 837 HA ARG 108 HA ARG 108 5.309 -15.239 -19.374 838 HB2 ARG 108 2HB ARG 108 3.997 -15.075 -21.464 839 HB3 ARG 108 3HB ARG 108 5.441 -15.472 -22.385 840 HG2 ARG 108 2HG ARG 108 3.917 -17.386 -22.073 841 HG3 ARG 108 3HG ARG 108 5.530 -17.664 -21.411 842 HD2 ARG 108 2HD ARG 108 4.790 -17.708 -19.268 843 HD3 ARG 108 3HD ARG 108 3.526 -16.515 -19.568 844 HE ARG 108 HE ARG 108 2.075 -18.242 -19.866 845 HH11 ARG 108 1HH1 ARG 108 5.301 -19.405 -20.466 846 HH12 ARG 108 2HH1 ARG 108 4.804 -21.047 -20.708 847 HH21 ARG 108 1HH2 ARG 108 1.408 -20.400 -20.183 848 HH22 ARG 108 2HH2 ARG 108 2.589 -21.612 -20.548 849 H GLN 109 H GLN 109 7.753 -14.727 -21.899 850 HA GLN 109 HA GLN 109 9.212 -17.093 -21.333 851 HB2 GLN 109 2HB GLN 109 9.476 -16.092 -23.485 852 HB3 GLN 109 3HB GLN 109 9.943 -14.550 -22.780 853 HG2 GLN 109 2HG GLN 109 11.999 -15.584 -21.923 854 HG3 GLN 109 3HG GLN 109 11.536 -17.101 -22.692 855 HE21 GLN 109 1HE2 GLN 109 11.848 -17.368 -24.846 856 HE22 GLN 109 2HE2 GLN 109 12.629 -16.205 -25.857 857 H SER 110 H SER 110 9.356 -13.802 -20.133 858 HA SER 110 HA SER 110 11.825 -14.204 -18.707 859 HB2 SER 110 2HB SER 110 10.538 -11.979 -19.592 860 HB3 SER 110 3HB SER 110 10.073 -11.968 -17.890 861 HG SER 110 HG SER 110 12.741 -12.191 -18.834 862 H GLY 111 H GLY 111 8.457 -14.662 -18.087 863 HA2 GLY 111 2HA GLY 111 8.807 -14.752 -15.198 864 HA3 GLY 111 3HA GLY 111 7.304 -14.993 -16.076 Start of MODEL 11 1 H1 MET 1 H MET 1 3.850 0.517 -1.245 2 HA MET 1 HA MET 1 3.481 -0.210 -3.856 3 HB2 MET 1 2HB MET 1 5.220 2.198 -3.580 4 HB3 MET 1 3HB MET 1 5.665 0.983 -4.771 5 HG2 MET 1 2HG MET 1 4.225 1.868 -6.187 6 HG3 MET 1 3HG MET 1 2.910 1.460 -5.087 7 HE1 MET 1 3HE MET 1 2.619 4.198 -7.040 8 HE2 MET 1 1HE MET 1 3.777 5.437 -6.554 9 HE3 MET 1 2HE MET 1 4.350 3.872 -7.131 10 H SER 2 H SER 2 4.030 -2.198 -3.023 11 HA SER 2 HA SER 2 6.894 -2.584 -2.452 12 HB2 SER 2 2HB SER 2 5.203 -4.584 -1.192 13 HB3 SER 2 3HB SER 2 6.461 -3.573 -0.481 14 HG SER 2 HG SER 2 4.001 -3.358 0.061 15 H LYS 3 H LYS 3 7.198 -5.192 -2.426 16 HA LYS 3 HA LYS 3 5.763 -6.460 -4.600 17 HB2 LYS 3 2HB LYS 3 7.832 -6.947 -5.878 18 HB3 LYS 3 3HB LYS 3 7.431 -5.235 -5.850 19 HG2 LYS 3 2HG LYS 3 9.061 -5.215 -3.792 20 HG3 LYS 3 3HG LYS 3 9.685 -6.679 -4.555 21 HD2 LYS 3 2HD LYS 3 10.842 -5.432 -5.985 22 HD3 LYS 3 3HD LYS 3 9.337 -4.730 -6.585 23 HE2 LYS 3 2HE LYS 3 10.247 -2.802 -5.859 24 HE3 LYS 3 3HE LYS 3 9.648 -3.340 -4.291 25 HZ1 LYS 3 3HZ LYS 3 11.721 -3.344 -3.557 26 HZ2 LYS 3 1HZ LYS 3 12.300 -2.874 -5.076 27 HZ3 LYS 3 2HZ LYS 3 12.145 -4.516 -4.701 28 H ASN 4 H ASN 4 7.065 -8.663 -5.083 29 HA ASN 4 HA ASN 4 7.567 -10.734 -4.291 30 HB2 ASN 4 2HB ASN 4 9.566 -9.242 -3.446 31 HB3 ASN 4 3HB ASN 4 8.858 -9.550 -1.863 32 HD21 ASN 4 1HD2 ASN 4 10.784 -10.669 -1.326 33 HD22 ASN 4 2HD2 ASN 4 11.043 -12.289 -1.867 34 H GLU 5 H GLU 5 5.106 -9.361 -3.421 35 HA GLU 5 HA GLU 5 4.646 -10.324 -0.724 36 HB2 GLU 5 2HB GLU 5 2.647 -9.115 -2.638 37 HB3 GLU 5 3HB GLU 5 2.483 -9.283 -0.896 38 HG2 GLU 5 2HG GLU 5 4.742 -7.830 -1.014 39 HG3 GLU 5 3HG GLU 5 3.935 -7.274 -2.479 40 H ARG 6 H ARG 6 4.028 -11.302 -3.998 41 HA ARG 6 HA ARG 6 2.983 -13.842 -3.028 42 HB2 ARG 6 2HB ARG 6 1.463 -11.908 -4.733 43 HB3 ARG 6 3HB ARG 6 1.236 -13.634 -4.979 44 HG2 ARG 6 2HG ARG 6 -0.358 -13.425 -3.428 45 HG3 ARG 6 3HG ARG 6 0.983 -13.446 -2.282 46 HD2 ARG 6 2HD ARG 6 0.328 -11.439 -1.587 47 HD3 ARG 6 3HD ARG 6 0.799 -10.801 -3.162 48 HE ARG 6 HE ARG 6 -1.844 -11.943 -3.095 49 HH11 ARG 6 1HH1 ARG 6 0.067 -9.076 -2.594 50 HH12 ARG 6 2HH1 ARG 6 -1.261 -7.991 -2.842 51 HH21 ARG 6 1HH2 ARG 6 -3.599 -10.524 -3.424 52 HH22 ARG 6 2HH2 ARG 6 -3.346 -8.815 -3.313 53 H ASP 7 H ASP 7 2.491 -15.240 -5.154 54 HA ASP 7 HA ASP 7 4.125 -14.747 -7.422 55 HB2 ASP 7 2HB ASP 7 5.764 -16.584 -7.044 56 HB3 ASP 7 3HB ASP 7 5.964 -15.234 -5.930 57 H THR 8 H THR 8 2.613 -17.210 -5.381 58 HA THR 8 HA THR 8 1.915 -18.776 -7.752 59 HB THR 8 HB THR 8 2.845 -19.990 -5.819 60 HG1 THR 8 HG1 THR 8 1.610 -21.460 -6.717 61 HG21 THR 8 3HG2 THR 8 0.601 -20.064 -4.094 62 HG22 THR 8 1HG2 THR 8 0.996 -18.368 -4.369 63 HG23 THR 8 2HG2 THR 8 2.224 -19.469 -3.745 64 H SER 9 H SER 9 0.661 -16.197 -7.230 65 HA SER 9 HA SER 9 -2.061 -16.979 -7.623 66 HB2 SER 9 2HB SER 9 -1.743 -17.014 -5.084 67 HB3 SER 9 3HB SER 9 -1.568 -15.263 -5.190 68 HG SER 9 HG SER 9 -3.819 -16.864 -5.634 69 H PHE 10 H PHE 10 -0.063 -14.215 -6.586 70 HA PHE 10 HA PHE 10 -1.207 -12.676 -8.819 71 HB2 PHE 10 2HB PHE 10 -0.706 -11.771 -5.985 72 HB3 PHE 10 3HB PHE 10 -0.927 -10.641 -7.316 73 HD1 PHE 10 HD2 PHE 10 -2.589 -13.581 -5.740 74 HD2 PHE 10 HD1 PHE 10 -3.043 -9.870 -7.775 75 HE1 PHE 10 HE2 PHE 10 -5.028 -13.725 -5.451 76 HE2 PHE 10 HE1 PHE 10 -5.483 -10.009 -7.489 77 HZ PHE 10 HZ PHE 10 -6.479 -11.938 -6.327 78 H ASN 11 H ASN 11 0.312 -12.159 -10.234 79 HA ASN 11 HA ASN 11 3.095 -11.949 -9.319 80 HB2 ASN 11 2HB ASN 11 2.265 -13.523 -11.253 81 HB3 ASN 11 3HB ASN 11 2.325 -12.048 -12.212 82 HD21 ASN 11 1HD2 ASN 11 4.035 -12.429 -13.480 83 HD22 ASN 11 2HD2 ASN 11 5.637 -12.731 -12.910 84 H LYS 12 H LYS 12 3.149 -9.843 -8.585 85 HA LYS 12 HA LYS 12 2.029 -7.599 -9.748 86 HB2 LYS 12 2HB LYS 12 3.105 -7.647 -7.519 87 HB3 LYS 12 3HB LYS 12 4.679 -7.751 -8.297 88 HG2 LYS 12 2HG LYS 12 4.775 -5.546 -8.397 89 HG3 LYS 12 3HG LYS 12 3.319 -5.521 -9.395 90 HD2 LYS 12 2HD LYS 12 2.054 -5.760 -7.159 91 HD3 LYS 12 3HD LYS 12 3.575 -5.253 -6.419 92 HE2 LYS 12 2HE LYS 12 3.406 -3.131 -7.206 93 HE3 LYS 12 3HE LYS 12 2.592 -3.630 -8.688 94 HZ1 LYS 12 3HZ LYS 12 1.111 -3.951 -6.198 95 HZ2 LYS 12 1HZ LYS 12 0.564 -3.490 -7.731 96 HZ3 LYS 12 2HZ LYS 12 1.348 -2.366 -6.739 97 H ASN 13 H ASN 13 4.973 -9.305 -10.588 98 HA ASN 13 HA ASN 13 6.202 -7.397 -12.203 99 HB2 ASN 13 2HB ASN 13 6.934 -9.823 -11.445 100 HB3 ASN 13 3HB ASN 13 6.273 -10.273 -13.014 101 HD21 ASN 13 1HD2 ASN 13 7.245 -9.485 -14.893 102 HD22 ASN 13 2HD2 ASN 13 8.854 -8.854 -14.886 103 H GLY 14 H GLY 14 3.585 -9.645 -12.909 104 HA2 GLY 14 2HA GLY 14 3.530 -9.268 -15.711 105 HA3 GLY 14 3HA GLY 14 2.198 -9.856 -14.727 106 H CYS 15 H CYS 15 1.908 -7.577 -13.064 107 HA CYS 15 HA CYS 15 0.261 -5.978 -14.738 108 HB2 CYS 15 2HB CYS 15 -0.049 -6.484 -12.245 109 HB3 CYS 15 3HB CYS 15 1.153 -5.232 -11.957 110 HG CYS 15 HG CYS 15 -0.701 -3.582 -13.786 111 H LEU 16 H LEU 16 3.380 -5.431 -13.148 112 HA LEU 16 HA LEU 16 3.689 -2.740 -13.895 113 HB2 LEU 16 2HB LEU 16 5.043 -3.755 -12.166 114 HB3 LEU 16 3HB LEU 16 5.758 -4.860 -13.338 115 HG LEU 16 HG LEU 16 6.436 -2.473 -14.423 116 HD11 LEU 16 1HD1 LEU 16 5.741 -0.968 -12.833 117 HD12 LEU 16 2HD1 LEU 16 7.398 -1.273 -12.313 118 HD13 LEU 16 3HD1 LEU 16 6.055 -2.070 -11.493 119 HD21 LEU 16 3HD2 LEU 16 8.507 -2.992 -12.657 120 HD22 LEU 16 1HD2 LEU 16 8.306 -3.671 -14.272 121 HD23 LEU 16 2HD2 LEU 16 7.714 -4.554 -12.864 122 H VAL 17 H VAL 17 4.802 -5.733 -15.451 123 HA VAL 17 HA VAL 17 6.087 -4.448 -17.627 124 HB VAL 17 HB VAL 17 6.539 -6.795 -16.919 125 HG11 VAL 17 1HG1 VAL 17 4.212 -7.479 -16.558 126 HG12 VAL 17 2HG1 VAL 17 3.921 -7.385 -18.296 127 HG13 VAL 17 3HG1 VAL 17 5.054 -8.575 -17.653 128 HG21 VAL 17 3HG2 VAL 17 6.659 -7.708 -19.261 129 HG22 VAL 17 1HG2 VAL 17 5.787 -6.267 -19.786 130 HG23 VAL 17 2HG2 VAL 17 7.377 -6.113 -19.038 131 H PHE 18 H PHE 18 2.817 -5.616 -17.087 132 HA PHE 18 HA PHE 18 1.889 -5.490 -19.734 133 HB2 PHE 18 2HB PHE 18 0.686 -6.595 -17.856 134 HB3 PHE 18 3HB PHE 18 0.299 -5.005 -17.207 135 HD1 PHE 18 HD2 PHE 18 -0.017 -6.947 -20.375 136 HD2 PHE 18 HD1 PHE 18 -1.730 -4.076 -17.741 137 HE1 PHE 18 HE2 PHE 18 -2.038 -6.872 -21.776 138 HE2 PHE 18 HE1 PHE 18 -3.754 -3.997 -19.138 139 HZ PHE 18 HZ PHE 18 -3.909 -5.395 -21.159 140 H VAL 19 H VAL 19 1.425 -3.121 -17.106 141 HA VAL 19 HA VAL 19 0.311 -1.116 -18.730 142 HB VAL 19 HB VAL 19 0.885 0.443 -16.883 143 HG11 VAL 19 1HG1 VAL 19 -0.499 -0.664 -15.172 144 HG12 VAL 19 2HG1 VAL 19 -1.181 -0.820 -16.792 145 HG13 VAL 19 3HG1 VAL 19 -0.343 -2.184 -16.052 146 HG21 VAL 19 3HG2 VAL 19 1.778 -0.832 -14.785 147 HG22 VAL 19 1HG2 VAL 19 2.473 -1.920 -15.987 148 HG23 VAL 19 2HG2 VAL 19 2.906 -0.211 -15.989 149 H SER 20 H SER 20 3.645 -1.753 -17.735 150 HA SER 20 HA SER 20 4.837 0.568 -18.718 151 HB2 SER 20 2HB SER 20 5.885 -2.240 -18.367 152 HB3 SER 20 3HB SER 20 6.909 -0.922 -18.936 153 HG SER 20 HG SER 20 6.649 0.115 -17.012 154 H ARG 21 H ARG 21 4.210 -2.527 -20.335 155 HA ARG 21 HA ARG 21 5.403 -1.792 -22.801 156 HB2 ARG 21 2HB ARG 21 5.011 -4.137 -22.111 157 HB3 ARG 21 3HB ARG 21 3.279 -3.877 -22.269 158 HG2 ARG 21 2HG ARG 21 4.179 -5.040 -24.203 159 HG3 ARG 21 3HG ARG 21 3.550 -3.454 -24.653 160 HD2 ARG 21 2HD ARG 21 5.753 -4.067 -25.690 161 HD3 ARG 21 3HD ARG 21 5.734 -2.538 -24.811 162 HE ARG 21 HE ARG 21 6.594 -4.760 -23.212 163 HH11 ARG 21 1HH1 ARG 21 7.599 -2.337 -25.501 164 HH12 ARG 21 2HH1 ARG 21 9.254 -2.352 -24.988 165 HH21 ARG 21 1HH2 ARG 21 8.770 -4.789 -22.528 166 HH22 ARG 21 2HH2 ARG 21 9.919 -3.748 -23.298 167 H LEU 22 H LEU 22 2.133 -1.561 -21.516 168 HA LEU 22 HA LEU 22 0.782 -0.904 -23.873 169 HB2 LEU 22 2HB LEU 22 0.295 -0.676 -20.994 170 HB3 LEU 22 3HB LEU 22 -0.543 0.533 -21.964 171 HG LEU 22 HG LEU 22 -0.856 -2.140 -23.052 172 HD11 LEU 22 1HD1 LEU 22 -1.775 -3.298 -21.341 173 HD12 LEU 22 2HD1 LEU 22 -2.362 -1.849 -20.526 174 HD13 LEU 22 3HD1 LEU 22 -0.665 -2.311 -20.390 175 HD21 LEU 22 3HD2 LEU 22 -2.619 0.135 -22.210 176 HD22 LEU 22 1HD2 LEU 22 -3.297 -1.417 -22.703 177 HD23 LEU 22 2HD2 LEU 22 -2.307 -0.490 -23.830 178 H TRP 23 H TRP 23 2.335 1.199 -21.468 179 HA TRP 23 HA TRP 23 1.673 3.653 -22.622 180 HB2 TRP 23 2HB TRP 23 3.711 2.686 -20.705 181 HB3 TRP 23 3HB TRP 23 4.076 4.210 -21.509 182 HD1 TRP 23 HD1 TRP 23 0.432 3.484 -20.759 183 HE1 TRP 23 HE1 TRP 23 -0.370 5.047 -18.878 184 HE3 TRP 23 HE3 TRP 23 4.937 5.466 -19.375 185 HZ2 TRP 23 HZ2 TRP 23 0.757 6.879 -17.051 186 HZ3 TRP 23 HZ3 TRP 23 4.988 7.118 -17.553 187 HH2 TRP 23 HH2 TRP 23 2.941 7.809 -16.416 188 H ASP 24 H ASP 24 4.304 1.421 -23.313 189 HA ASP 24 HA ASP 24 5.750 3.149 -25.037 190 HB2 ASP 24 2HB ASP 24 6.362 0.818 -23.888 191 HB3 ASP 24 3HB ASP 24 5.857 0.204 -25.460 192 H LEU 25 H LEU 25 3.631 0.374 -25.777 193 HA LEU 25 HA LEU 25 3.595 0.708 -28.545 194 HB2 LEU 25 2HB LEU 25 2.800 -1.301 -27.390 195 HB3 LEU 25 3HB LEU 25 1.425 -0.393 -26.765 196 HG LEU 25 HG LEU 25 1.075 -1.962 -28.780 197 HD11 LEU 25 1HD1 LEU 25 -0.107 0.446 -29.731 198 HD12 LEU 25 2HD1 LEU 25 -0.118 0.468 -27.968 199 HD13 LEU 25 3HD1 LEU 25 -0.854 -0.878 -28.837 200 HD21 LEU 25 3HD2 LEU 25 3.124 -0.687 -29.895 201 HD22 LEU 25 1HD2 LEU 25 1.824 0.359 -30.466 202 HD23 LEU 25 2HD2 LEU 25 1.802 -1.363 -30.849 203 H ASP 26 H ASP 26 1.942 2.436 -26.047 204 HA ASP 26 HA ASP 26 -0.117 3.539 -27.692 205 HB2 ASP 26 2HB ASP 26 -0.508 3.446 -25.331 206 HB3 ASP 26 3HB ASP 26 0.978 4.329 -24.991 207 H LYS 27 H LYS 27 1.257 4.184 -29.501 208 HA LYS 27 HA LYS 27 3.154 6.299 -29.184 209 HB2 LYS 27 2HB LYS 27 2.716 4.469 -31.126 210 HB3 LYS 27 3HB LYS 27 1.921 5.866 -31.840 211 HG2 LYS 27 2HG LYS 27 3.908 6.513 -32.572 212 HG3 LYS 27 3HG LYS 27 4.352 6.836 -30.895 213 HD2 LYS 27 2HD LYS 27 4.997 4.379 -30.756 214 HD3 LYS 27 3HD LYS 27 4.861 4.354 -32.516 215 HE2 LYS 27 2HE LYS 27 6.411 6.619 -31.728 216 HE3 LYS 27 3HE LYS 27 7.055 5.181 -30.939 217 HZ1 LYS 27 3HZ LYS 27 6.696 4.264 -33.406 218 HZ2 LYS 27 1HZ LYS 27 8.140 4.974 -32.883 219 HZ3 LYS 27 2HZ LYS 27 7.016 5.889 -33.754 220 H LEU 28 H LEU 28 -0.265 6.105 -29.823 221 HA LEU 28 HA LEU 28 -0.693 8.659 -30.892 222 HB2 LEU 28 2HB LEU 28 -2.493 7.208 -31.068 223 HB3 LEU 28 3HB LEU 28 -2.390 6.719 -29.378 224 HG LEU 28 HG LEU 28 -3.060 9.538 -29.712 225 HD11 LEU 28 1HD1 LEU 28 -4.213 8.878 -31.679 226 HD12 LEU 28 2HD1 LEU 28 -5.418 9.018 -30.400 227 HD13 LEU 28 3HD1 LEU 28 -4.846 7.427 -30.901 228 HD21 LEU 28 3HD2 LEU 28 -3.180 8.054 -27.643 229 HD22 LEU 28 1HD2 LEU 28 -4.637 7.368 -28.361 230 HD23 LEU 28 2HD2 LEU 28 -4.571 9.088 -27.973 231 H GLY 29 H GLY 29 -0.222 7.565 -27.604 232 HA2 GLY 29 2HA GLY 29 0.565 8.959 -25.869 233 HA3 GLY 29 3HA GLY 29 -0.025 10.357 -26.755 234 H MET 30 H MET 30 -0.535 8.474 -24.096 235 HA MET 30 HA MET 30 -2.209 8.289 -22.569 236 HB2 MET 30 2HB MET 30 -2.922 10.826 -23.997 237 HB3 MET 30 3HB MET 30 -4.010 10.173 -22.779 238 HG2 MET 30 2HG MET 30 -2.050 10.160 -21.200 239 HG3 MET 30 3HG MET 30 -1.172 11.082 -22.418 240 HE1 MET 30 3HE MET 30 -3.807 12.706 -19.225 241 HE2 MET 30 1HE MET 30 -4.175 11.100 -19.856 242 HE3 MET 30 2HE MET 30 -2.565 11.452 -19.227 243 H PHE 31 H PHE 31 -2.492 6.458 -24.456 244 HA PHE 31 HA PHE 31 -5.281 6.571 -25.370 245 HB2 PHE 31 2HB PHE 31 -3.394 6.081 -27.007 246 HB3 PHE 31 3HB PHE 31 -3.206 4.537 -26.183 247 HD1 PHE 31 HD1 PHE 31 -6.291 6.405 -27.089 248 HD2 PHE 31 HD2 PHE 31 -3.908 2.930 -27.689 249 HE1 PHE 31 HE1 PHE 31 -8.059 5.441 -28.503 250 HE2 PHE 31 HE2 PHE 31 -5.671 1.961 -29.105 251 HZ PHE 31 HZ PHE 31 -7.750 3.217 -29.514 252 H HIS 32 H HIS 32 -6.747 5.545 -24.198 253 HA HIS 32 HA HIS 32 -6.487 2.886 -23.314 254 HB2 HIS 32 2HB HIS 32 -5.004 4.214 -21.661 255 HB3 HIS 32 3HB HIS 32 -6.525 4.799 -20.994 256 HD1 HIS 32 HD1 HIS 32 -5.309 3.410 -18.892 257 HD2 HIS 32 HD2 HIS 32 -7.100 1.224 -21.938 258 HE1 HIS 32 HE1 HIS 32 -5.715 1.123 -17.929 259 H HIS 33 H HIS 33 -8.470 3.348 -24.655 260 HA HIS 33 HA HIS 33 -10.743 3.543 -22.873 261 HB2 HIS 33 2HB HIS 33 -10.140 5.594 -24.968 262 HB3 HIS 33 3HB HIS 33 -11.817 5.168 -24.642 263 HD1 HIS 33 HD1 HIS 33 -8.891 6.950 -23.188 264 HD2 HIS 33 HD2 HIS 33 -12.786 5.976 -22.120 265 HE1 HIS 33 HE1 HIS 33 -9.402 8.349 -21.162 266 HA PRO 34 HA PRO 34 -12.470 0.568 -25.594 267 HB2 PRO 34 2HB PRO 34 -15.119 1.147 -25.461 268 HB3 PRO 34 3HB PRO 34 -14.230 0.400 -24.128 269 HG2 PRO 34 2HG PRO 34 -15.000 3.266 -24.519 270 HG3 PRO 34 3HG PRO 34 -15.076 2.278 -23.049 271 HD2 PRO 34 2HD PRO 34 -13.079 4.046 -23.515 272 HD3 PRO 34 3HD PRO 34 -12.830 2.543 -22.604 273 H VAL 35 H VAL 35 -13.141 0.250 -27.697 274 HA VAL 35 HA VAL 35 -12.910 2.464 -29.476 275 HB VAL 35 HB VAL 35 -12.147 0.265 -30.166 276 HG11 VAL 35 1HG1 VAL 35 -13.320 -1.525 -29.564 277 HG12 VAL 35 2HG1 VAL 35 -14.739 -0.543 -29.198 278 HG13 VAL 35 3HG1 VAL 35 -14.469 -1.128 -30.840 279 HG21 VAL 35 3HG2 VAL 35 -14.526 0.985 -31.866 280 HG22 VAL 35 1HG2 VAL 35 -13.039 1.933 -31.834 281 HG23 VAL 35 2HG2 VAL 35 -13.004 0.256 -32.379 282 H SER 36 H SER 36 -14.457 3.449 -30.750 283 HA SER 36 HA SER 36 -17.110 3.523 -29.642 284 HB2 SER 36 2HB SER 36 -16.145 4.912 -32.146 285 HB3 SER 36 3HB SER 36 -17.504 5.366 -31.118 286 HG SER 36 HG SER 36 -15.253 6.425 -30.919 287 H ALA 37 H ALA 37 -18.852 2.458 -30.321 288 HA ALA 37 HA ALA 37 -18.683 0.434 -32.283 289 HB1 ALA 37 1HB ALA 37 -21.370 1.412 -31.566 290 HB2 ALA 37 2HB ALA 37 -20.708 -0.223 -31.536 291 HB3 ALA 37 3HB ALA 37 -20.350 0.898 -30.222 292 H GLU 38 H GLU 38 -19.760 3.761 -32.379 293 HA GLU 38 HA GLU 38 -21.280 3.809 -34.679 294 HB2 GLU 38 2HB GLU 38 -20.529 6.155 -34.946 295 HB3 GLU 38 3HB GLU 38 -21.016 5.777 -33.300 296 HG2 GLU 38 2HG GLU 38 -18.480 5.322 -32.944 297 HG3 GLU 38 3HG GLU 38 -18.295 6.307 -34.394 298 H GLU 39 H GLU 39 -17.773 3.725 -34.352 299 HA GLU 39 HA GLU 39 -17.425 3.850 -37.242 300 HB2 GLU 39 2HB GLU 39 -15.562 3.928 -34.893 301 HB3 GLU 39 3HB GLU 39 -14.941 3.564 -36.498 302 HG2 GLU 39 2HG GLU 39 -16.639 5.871 -36.604 303 HG3 GLU 39 3HG GLU 39 -15.404 6.079 -35.363 304 H LEU 40 H LEU 40 -16.947 1.599 -34.560 305 HA LEU 40 HA LEU 40 -16.462 -0.544 -36.521 306 HB2 LEU 40 2HB LEU 40 -15.443 -0.032 -33.780 307 HB3 LEU 40 3HB LEU 40 -15.694 -1.708 -34.263 308 HG LEU 40 HG LEU 40 -14.235 -1.046 -36.320 309 HD11 LEU 40 1HD1 LEU 40 -14.058 1.288 -36.038 310 HD12 LEU 40 2HD1 LEU 40 -12.486 0.629 -35.590 311 HD13 LEU 40 3HD1 LEU 40 -13.621 1.129 -34.337 312 HD21 LEU 40 3HD2 LEU 40 -13.006 -1.341 -33.581 313 HD22 LEU 40 1HD2 LEU 40 -12.248 -1.733 -35.125 314 HD23 LEU 40 2HD2 LEU 40 -13.635 -2.666 -34.562 315 HA PRO 41 HA PRO 41 -20.665 -1.354 -34.777 316 HB2 PRO 41 2HB PRO 41 -21.722 -2.185 -37.136 317 HB3 PRO 41 3HB PRO 41 -21.656 -0.485 -36.659 318 HG2 PRO 41 2HG PRO 41 -19.838 -2.013 -38.482 319 HG3 PRO 41 3HG PRO 41 -20.510 -0.384 -38.680 320 HD2 PRO 41 2HD PRO 41 -17.978 -0.822 -37.826 321 HD3 PRO 41 3HD PRO 41 -18.941 0.569 -37.287 322 H ASP 42 H ASP 42 -18.269 -3.170 -36.451 323 HA ASP 42 HA ASP 42 -19.581 -5.692 -35.681 324 HB2 ASP 42 2HB ASP 42 -18.510 -6.779 -37.455 325 HB3 ASP 42 3HB ASP 42 -18.942 -5.216 -38.142 326 H TYR 43 H TYR 43 -17.819 -3.771 -34.112 327 HA TYR 43 HA TYR 43 -15.290 -4.770 -33.651 328 HB2 TYR 43 2HB TYR 43 -15.344 -3.654 -31.544 329 HB3 TYR 43 3HB TYR 43 -16.323 -2.694 -32.648 330 HD1 TYR 43 HD2 TYR 43 -18.888 -3.168 -32.599 331 HD2 TYR 43 HD1 TYR 43 -16.211 -4.256 -29.477 332 HE1 TYR 43 HE2 TYR 43 -20.776 -3.279 -31.027 333 HE2 TYR 43 HE1 TYR 43 -18.091 -4.372 -27.896 334 HH TYR 43 HH TYR 43 -20.510 -4.676 -27.932 335 H HIS 44 H HIS 44 -18.383 -5.978 -32.527 336 HA HIS 44 HA HIS 44 -17.423 -7.776 -30.580 337 HB2 HIS 44 2HB HIS 44 -19.923 -7.026 -31.595 338 HB3 HIS 44 3HB HIS 44 -19.800 -8.753 -31.916 339 HD1 HIS 44 HD1 HIS 44 -21.024 -9.923 -30.120 340 HD2 HIS 44 HD2 HIS 44 -18.806 -6.733 -28.647 341 HE1 HIS 44 HE1 HIS 44 -21.330 -9.986 -27.625 342 H THR 45 H THR 45 -17.927 -8.075 -34.052 343 HA THR 45 HA THR 45 -17.199 -10.883 -34.045 344 HB THR 45 HB THR 45 -17.470 -9.233 -36.537 345 HG1 THR 45 HG1 THR 45 -19.505 -8.889 -36.107 346 HG21 THR 45 3HG2 THR 45 -18.572 -11.437 -37.253 347 HG22 THR 45 1HG2 THR 45 -17.889 -12.109 -35.773 348 HG23 THR 45 2HG2 THR 45 -16.825 -11.439 -37.010 349 H VAL 46 H VAL 46 -15.577 -7.938 -34.099 350 HA VAL 46 HA VAL 46 -13.321 -8.916 -35.668 351 HB VAL 46 HB VAL 46 -13.707 -6.259 -34.281 352 HG11 VAL 46 1HG1 VAL 46 -11.461 -6.219 -34.497 353 HG12 VAL 46 2HG1 VAL 46 -11.449 -7.474 -35.738 354 HG13 VAL 46 3HG1 VAL 46 -11.842 -5.809 -36.169 355 HG21 VAL 46 3HG2 VAL 46 -14.952 -7.219 -36.565 356 HG22 VAL 46 1HG2 VAL 46 -14.804 -5.530 -36.079 357 HG23 VAL 46 2HG2 VAL 46 -13.621 -6.238 -37.178 358 H ILE 47 H ILE 47 -13.902 -7.636 -32.393 359 HA ILE 47 HA ILE 47 -11.549 -9.165 -31.488 360 HB ILE 47 HB ILE 47 -11.376 -7.467 -29.638 361 HG12 ILE 47 2HG1 ILE 47 -13.176 -5.834 -31.439 362 HG13 ILE 47 3HG1 ILE 47 -13.696 -6.579 -29.931 363 HG21 ILE 47 1HG2 ILE 47 -10.984 -6.508 -32.470 364 HG22 ILE 47 2HG2 ILE 47 -10.240 -5.792 -31.041 365 HG23 ILE 47 3HG2 ILE 47 -9.840 -7.445 -31.509 366 HD11 ILE 47 3HD1 ILE 47 -12.128 -4.151 -30.399 367 HD12 ILE 47 1HD1 ILE 47 -13.194 -4.581 -29.062 368 HD13 ILE 47 2HD1 ILE 47 -11.536 -5.182 -29.097 369 H LYS 48 H LYS 48 -14.859 -8.242 -30.890 370 HA LYS 48 HA LYS 48 -16.482 -9.262 -29.648 371 HB2 LYS 48 2HB LYS 48 -14.692 -11.301 -30.059 372 HB3 LYS 48 3HB LYS 48 -14.768 -11.231 -28.303 373 HG2 LYS 48 2HG LYS 48 -16.895 -11.983 -28.226 374 HG3 LYS 48 3HG LYS 48 -17.352 -11.175 -29.728 375 HD2 LYS 48 2HD LYS 48 -15.390 -13.320 -30.077 376 HD3 LYS 48 3HD LYS 48 -16.945 -13.865 -29.441 377 HE2 LYS 48 2HE LYS 48 -17.986 -12.487 -31.330 378 HE3 LYS 48 3HE LYS 48 -16.365 -12.440 -32.021 379 HZ1 LYS 48 3HZ LYS 48 -16.461 -14.593 -32.609 380 HZ2 LYS 48 1HZ LYS 48 -18.134 -14.359 -32.534 381 HZ3 LYS 48 2HZ LYS 48 -17.320 -15.063 -31.230 382 H ARG 49 H ARG 49 -13.449 -9.533 -27.781 383 HA ARG 49 HA ARG 49 -14.816 -8.389 -25.466 384 HB2 ARG 49 2HB ARG 49 -12.058 -9.606 -25.721 385 HB3 ARG 49 3HB ARG 49 -12.790 -9.052 -24.221 386 HG2 ARG 49 2HG ARG 49 -14.228 -11.080 -25.856 387 HG3 ARG 49 3HG ARG 49 -12.836 -11.580 -24.894 388 HD2 ARG 49 2HD ARG 49 -15.133 -10.010 -23.751 389 HD3 ARG 49 3HD ARG 49 -15.105 -11.773 -23.784 390 HE ARG 49 HE ARG 49 -13.611 -10.047 -22.038 391 HH11 ARG 49 1HH1 ARG 49 -13.748 -13.191 -23.525 392 HH12 ARG 49 2HH1 ARG 49 -12.770 -13.951 -22.313 393 HH21 ARG 49 1HH2 ARG 49 -12.323 -11.035 -20.436 394 HH22 ARG 49 2HH2 ARG 49 -11.961 -12.724 -20.556 395 HA PRO 50 HA PRO 50 -13.010 -4.465 -26.727 396 HB2 PRO 50 2HB PRO 50 -14.415 -2.987 -24.935 397 HB3 PRO 50 3HB PRO 50 -15.104 -3.556 -26.460 398 HG2 PRO 50 2HG PRO 50 -15.393 -4.698 -23.708 399 HG3 PRO 50 3HG PRO 50 -16.627 -4.472 -24.961 400 HD2 PRO 50 2HD PRO 50 -15.459 -6.867 -24.483 401 HD3 PRO 50 3HD PRO 50 -16.000 -6.374 -26.101 402 H VAL 51 H VAL 51 -12.243 -2.534 -25.231 403 HA VAL 51 HA VAL 51 -11.025 -3.489 -22.759 404 HB VAL 51 HB VAL 51 -9.353 -4.021 -24.469 405 HG11 VAL 51 1HG1 VAL 51 -8.946 -1.128 -25.057 406 HG12 VAL 51 2HG1 VAL 51 -8.536 -2.545 -26.026 407 HG13 VAL 51 3HG1 VAL 51 -10.212 -2.006 -25.915 408 HG21 VAL 51 3HG2 VAL 51 -8.184 -1.640 -23.138 409 HG22 VAL 51 1HG2 VAL 51 -8.885 -2.891 -22.112 410 HG23 VAL 51 2HG2 VAL 51 -7.583 -3.295 -23.231 411 H ASP 52 H ASP 52 -11.054 -1.961 -21.238 412 HA ASP 52 HA ASP 52 -10.957 0.856 -21.986 413 HB2 ASP 52 2HB ASP 52 -12.915 1.207 -20.303 414 HB3 ASP 52 3HB ASP 52 -13.279 0.717 -21.955 415 H LEU 53 H LEU 53 -10.463 2.266 -20.211 416 HA LEU 53 HA LEU 53 -8.525 1.261 -18.464 417 HB2 LEU 53 2HB LEU 53 -8.593 3.451 -17.394 418 HB3 LEU 53 3HB LEU 53 -8.583 3.585 -19.151 419 HG LEU 53 HG LEU 53 -11.260 3.671 -18.580 420 HD11 LEU 53 1HD1 LEU 53 -10.345 3.863 -16.118 421 HD12 LEU 53 2HD1 LEU 53 -11.718 4.824 -16.664 422 HD13 LEU 53 3HD1 LEU 53 -10.113 5.549 -16.582 423 HD21 LEU 53 3HD2 LEU 53 -10.697 6.278 -18.690 424 HD22 LEU 53 1HD2 LEU 53 -10.611 5.222 -20.100 425 HD23 LEU 53 2HD2 LEU 53 -9.141 5.637 -19.217 426 H SER 54 H SER 54 -11.960 1.877 -18.007 427 HA SER 54 HA SER 54 -12.001 1.502 -15.202 428 HB2 SER 54 2HB SER 54 -13.879 2.117 -17.235 429 HB3 SER 54 3HB SER 54 -14.494 0.704 -16.378 430 HG SER 54 HG SER 54 -15.199 2.330 -15.152 431 H SER 55 H SER 55 -12.372 -0.688 -17.937 432 HA SER 55 HA SER 55 -13.246 -2.952 -16.535 433 HB2 SER 55 2HB SER 55 -12.012 -2.427 -19.178 434 HB3 SER 55 3HB SER 55 -11.857 -4.073 -18.564 435 HG SER 55 HG SER 55 -13.968 -4.351 -18.722 436 H ILE 56 H ILE 56 -9.955 -1.977 -17.477 437 HA ILE 56 HA ILE 56 -8.681 -4.158 -16.178 438 HB ILE 56 HB ILE 56 -7.559 -2.974 -17.977 439 HG12 ILE 56 2HG1 ILE 56 -6.144 -2.638 -15.323 440 HG13 ILE 56 3HG1 ILE 56 -6.164 -4.097 -16.307 441 HG21 ILE 56 1HG2 ILE 56 -7.373 -0.610 -16.117 442 HG22 ILE 56 2HG2 ILE 56 -6.775 -0.713 -17.773 443 HG23 ILE 56 3HG2 ILE 56 -8.510 -0.740 -17.459 444 HD11 ILE 56 3HD1 ILE 56 -4.341 -3.389 -17.326 445 HD12 ILE 56 1HD1 ILE 56 -5.247 -2.016 -17.961 446 HD13 ILE 56 2HD1 ILE 56 -4.392 -1.875 -16.424 447 H ARG 57 H ARG 57 -9.381 -0.826 -15.231 448 HA ARG 57 HA ARG 57 -7.928 -0.814 -12.824 449 HB2 ARG 57 2HB ARG 57 -8.862 1.200 -13.984 450 HB3 ARG 57 3HB ARG 57 -10.458 0.724 -13.420 451 HG2 ARG 57 2HG ARG 57 -8.364 0.953 -11.357 452 HG3 ARG 57 3HG ARG 57 -8.884 2.456 -12.123 453 HD2 ARG 57 2HD ARG 57 -11.207 0.947 -11.553 454 HD3 ARG 57 3HD ARG 57 -10.196 0.917 -10.109 455 HE ARG 57 HE ARG 57 -11.646 3.144 -11.135 456 HH11 ARG 57 1HH1 ARG 57 -8.751 2.243 -9.424 457 HH12 ARG 57 2HH1 ARG 57 -8.608 3.760 -8.601 458 HH21 ARG 57 1HH2 ARG 57 -11.469 5.147 -10.057 459 HH22 ARG 57 2HH2 ARG 57 -10.156 5.411 -8.960 460 H ASP 58 H ASP 58 -11.277 -1.700 -13.547 461 HA ASP 58 HA ASP 58 -11.984 -2.211 -10.830 462 HB2 ASP 58 2HB ASP 58 -13.696 -1.661 -12.474 463 HB3 ASP 58 3HB ASP 58 -13.291 -3.096 -13.411 464 H GLY 59 H GLY 59 -10.790 -4.175 -13.499 465 HA2 GLY 59 2HA GLY 59 -11.211 -6.708 -12.348 466 HA3 GLY 59 3HA GLY 59 -10.013 -6.333 -13.578 467 H ILE 60 H ILE 60 -8.346 -4.601 -12.276 468 HA ILE 60 HA ILE 60 -6.687 -6.322 -10.823 469 HB ILE 60 HB ILE 60 -6.719 -3.307 -10.938 470 HG12 ILE 60 2HG1 ILE 60 -6.277 -4.422 -13.077 471 HG13 ILE 60 3HG1 ILE 60 -4.830 -3.616 -12.481 472 HG21 ILE 60 1HG2 ILE 60 -5.563 -3.744 -8.959 473 HG22 ILE 60 2HG2 ILE 60 -4.817 -5.203 -9.608 474 HG23 ILE 60 3HG2 ILE 60 -4.289 -3.617 -10.172 475 HD11 ILE 60 3HD1 ILE 60 -4.256 -5.761 -13.395 476 HD12 ILE 60 1HD1 ILE 60 -4.006 -5.781 -11.650 477 HD13 ILE 60 2HD1 ILE 60 -5.427 -6.560 -12.347 478 H GLU 61 H GLU 61 -8.896 -3.775 -9.706 479 HA GLU 61 HA GLU 61 -8.295 -4.052 -6.957 480 HB2 GLU 61 2HB GLU 61 -10.001 -2.448 -8.564 481 HB3 GLU 61 3HB GLU 61 -10.995 -3.180 -7.313 482 HG2 GLU 61 2HG GLU 61 -8.632 -2.269 -6.070 483 HG3 GLU 61 3HG GLU 61 -9.206 -0.976 -7.123 484 H LYS 62 H LYS 62 -10.477 -5.722 -9.108 485 HA LYS 62 HA LYS 62 -11.941 -7.025 -6.998 486 HB2 LYS 62 2HB LYS 62 -11.847 -7.437 -9.987 487 HB3 LYS 62 3HB LYS 62 -12.854 -8.402 -8.916 488 HG2 LYS 62 2HG LYS 62 -13.051 -5.419 -8.902 489 HG3 LYS 62 3HG LYS 62 -13.885 -6.375 -10.130 490 HD2 LYS 62 2HD LYS 62 -15.540 -6.673 -8.672 491 HD3 LYS 62 3HD LYS 62 -14.433 -7.639 -7.694 492 HE2 LYS 62 2HE LYS 62 -13.651 -5.404 -6.717 493 HE3 LYS 62 3HE LYS 62 -15.103 -4.722 -7.447 494 HZ1 LYS 62 3HZ LYS 62 -14.869 -6.653 -5.243 495 HZ2 LYS 62 1HZ LYS 62 -16.262 -6.655 -6.203 496 HZ3 LYS 62 2HZ LYS 62 -15.824 -5.261 -5.351 497 H GLY 63 H GLY 63 -9.023 -7.590 -8.734 498 HA2 GLY 63 2HA GLY 63 -7.385 -9.147 -8.071 499 HA3 GLY 63 3HA GLY 63 -8.626 -10.058 -7.223 500 H THR 64 H THR 64 -9.064 -8.992 -10.514 501 HA THR 64 HA THR 64 -9.935 -11.319 -11.590 502 HB THR 64 HB THR 64 -8.153 -9.322 -13.000 503 HG1 THR 64 HG1 THR 64 -10.996 -9.497 -12.837 504 HG21 THR 64 3HG2 THR 64 -9.663 -10.190 -14.965 505 HG22 THR 64 1HG2 THR 64 -9.790 -11.630 -13.955 506 HG23 THR 64 2HG2 THR 64 -8.208 -11.071 -14.500 507 H TYR 65 H TYR 65 -6.532 -10.305 -11.412 508 HA TYR 65 HA TYR 65 -5.457 -12.575 -12.679 509 HB2 TYR 65 2HB TYR 65 -4.268 -10.606 -10.725 510 HB3 TYR 65 3HB TYR 65 -3.328 -11.892 -11.473 511 HD1 TYR 65 HD1 TYR 65 -4.478 -11.852 -14.221 512 HD2 TYR 65 HD2 TYR 65 -3.331 -8.666 -11.643 513 HE1 TYR 65 HE1 TYR 65 -4.073 -10.420 -16.179 514 HE2 TYR 65 HE2 TYR 65 -2.925 -7.226 -13.595 515 HH TYR 65 HH TYR 65 -3.981 -7.323 -16.206 516 H ALA 66 H ALA 66 -5.727 -14.595 -12.008 517 HA ALA 66 HA ALA 66 -5.892 -15.164 -9.142 518 HB1 ALA 66 1HB ALA 66 -7.127 -17.004 -9.644 519 HB2 ALA 66 2HB ALA 66 -7.479 -16.047 -11.083 520 HB3 ALA 66 3HB ALA 66 -6.257 -17.317 -11.146 521 H THR 67 H THR 67 -3.908 -15.768 -11.958 522 HA THR 67 HA THR 67 -1.655 -16.467 -10.368 523 HB THR 67 HB THR 67 -1.880 -18.763 -12.048 524 HG1 THR 67 HG1 THR 67 -4.124 -18.580 -11.888 525 HG21 THR 67 3HG2 THR 67 -1.838 -18.346 -9.061 526 HG22 THR 67 1HG2 THR 67 -0.479 -18.740 -10.113 527 HG23 THR 67 2HG2 THR 67 -1.745 -19.933 -9.825 528 H ASP 68 H ASP 68 -0.015 -17.700 -12.085 529 HA ASP 68 HA ASP 68 0.713 -15.698 -13.898 530 HB2 ASP 68 2HB ASP 68 1.960 -17.879 -12.892 531 HB3 ASP 68 3HB ASP 68 1.609 -18.448 -14.521 532 H VAL 69 H VAL 69 -1.164 -18.647 -14.336 533 HA VAL 69 HA VAL 69 -1.283 -18.597 -17.153 534 HB VAL 69 HB VAL 69 -3.231 -19.766 -15.162 535 HG11 VAL 69 1HG1 VAL 69 -4.025 -21.139 -17.049 536 HG12 VAL 69 2HG1 VAL 69 -4.340 -19.419 -17.287 537 HG13 VAL 69 3HG1 VAL 69 -3.006 -20.199 -18.139 538 HG21 VAL 69 3HG2 VAL 69 -2.090 -21.910 -15.975 539 HG22 VAL 69 1HG2 VAL 69 -0.828 -20.848 -16.597 540 HG23 VAL 69 2HG2 VAL 69 -1.188 -20.872 -14.871 541 H ASP 70 H ASP 70 -3.561 -17.399 -14.695 542 HA ASP 70 HA ASP 70 -5.481 -16.384 -16.460 543 HB2 ASP 70 2HB ASP 70 -5.494 -16.673 -13.847 544 HB3 ASP 70 3HB ASP 70 -4.921 -15.007 -13.860 545 H VAL 71 H VAL 71 -2.568 -14.914 -15.110 546 HA VAL 71 HA VAL 71 -3.020 -12.301 -16.082 547 HB VAL 71 HB VAL 71 -0.440 -13.707 -15.389 548 HG11 VAL 71 1HG1 VAL 71 0.366 -12.001 -16.693 549 HG12 VAL 71 2HG1 VAL 71 -0.995 -10.937 -16.334 550 HG13 VAL 71 3HG1 VAL 71 0.269 -11.192 -15.130 551 HG21 VAL 71 3HG2 VAL 71 -1.644 -11.532 -13.757 552 HG22 VAL 71 1HG2 VAL 71 -2.369 -13.138 -13.677 553 HG23 VAL 71 2HG2 VAL 71 -0.671 -12.915 -13.256 554 H GLN 72 H GLN 72 -1.255 -15.068 -17.420 555 HA GLN 72 HA GLN 72 -0.243 -13.763 -19.696 556 HB2 GLN 72 2HB GLN 72 0.671 -15.883 -18.999 557 HB3 GLN 72 3HB GLN 72 -0.886 -16.674 -19.210 558 HG2 GLN 72 2HG GLN 72 0.419 -15.341 -21.536 559 HG3 GLN 72 3HG GLN 72 0.974 -16.929 -21.007 560 HE21 GLN 72 1HE2 GLN 72 -0.692 -15.696 -23.331 561 HE22 GLN 72 2HE2 GLN 72 -1.985 -16.827 -23.506 562 H ASN 73 H ASN 73 -3.275 -15.469 -19.107 563 HA ASN 73 HA ASN 73 -4.185 -15.403 -21.794 564 HB2 ASN 73 2HB ASN 73 -5.080 -16.495 -19.364 565 HB3 ASN 73 3HB ASN 73 -6.355 -15.397 -19.886 566 HD21 ASN 73 1HD2 ASN 73 -6.528 -18.226 -19.721 567 HD22 ASN 73 2HD2 ASN 73 -6.817 -18.823 -21.316 568 H ASP 74 H ASP 74 -4.617 -13.261 -19.022 569 HA ASP 74 HA ASP 74 -6.528 -11.549 -20.189 570 HB2 ASP 74 2HB ASP 74 -5.608 -11.766 -17.711 571 HB3 ASP 74 3HB ASP 74 -4.539 -10.470 -18.242 572 H VAL 75 H VAL 75 -2.991 -11.249 -19.916 573 HA VAL 75 HA VAL 75 -2.779 -8.825 -21.332 574 HB VAL 75 HB VAL 75 -0.398 -9.391 -21.615 575 HG11 VAL 75 1HG1 VAL 75 0.000 -8.798 -19.498 576 HG12 VAL 75 2HG1 VAL 75 -1.748 -8.891 -19.271 577 HG13 VAL 75 3HG1 VAL 75 -0.729 -10.270 -18.859 578 HG21 VAL 75 3HG2 VAL 75 -1.250 -12.063 -20.512 579 HG22 VAL 75 1HG2 VAL 75 -0.507 -11.733 -22.077 580 HG23 VAL 75 2HG2 VAL 75 0.426 -11.521 -20.595 581 H ALA 76 H ALA 76 -2.724 -12.191 -22.381 582 HA ALA 76 HA ALA 76 -1.932 -11.735 -25.047 583 HB1 ALA 76 1HB ALA 76 -3.498 -13.977 -23.788 584 HB2 ALA 76 2HB ALA 76 -2.972 -13.980 -25.471 585 HB3 ALA 76 3HB ALA 76 -1.778 -13.942 -24.174 586 H ARG 77 H ARG 77 -5.111 -11.852 -23.503 587 HA ARG 77 HA ARG 77 -6.596 -11.616 -25.917 588 HB2 ARG 77 2HB ARG 77 -7.161 -11.621 -23.033 589 HB3 ARG 77 3HB ARG 77 -8.267 -10.637 -23.982 590 HG2 ARG 77 2HG ARG 77 -8.306 -12.815 -25.494 591 HG3 ARG 77 3HG ARG 77 -7.875 -13.572 -23.959 592 HD2 ARG 77 2HD ARG 77 -9.828 -12.639 -22.899 593 HD3 ARG 77 3HD ARG 77 -10.223 -11.723 -24.353 594 HE ARG 77 HE ARG 77 -10.777 -14.493 -23.849 595 HH11 ARG 77 1HH1 ARG 77 -10.227 -12.098 -26.316 596 HH12 ARG 77 2HH1 ARG 77 -11.093 -12.970 -27.538 597 HH21 ARG 77 1HH2 ARG 77 -11.919 -15.649 -25.449 598 HH22 ARG 77 2HH2 ARG 77 -12.055 -14.989 -27.044 599 H MET 78 H MET 78 -5.268 -9.318 -23.616 600 HA MET 78 HA MET 78 -6.630 -7.032 -24.583 601 HB2 MET 78 2HB MET 78 -3.985 -7.237 -23.132 602 HB3 MET 78 3HB MET 78 -4.899 -5.753 -23.368 603 HG2 MET 78 2HG MET 78 -6.436 -7.908 -22.135 604 HG3 MET 78 3HG MET 78 -5.049 -7.376 -21.187 605 HE1 MET 78 3HE MET 78 -6.896 -5.610 -19.027 606 HE2 MET 78 1HE MET 78 -8.360 -6.217 -19.800 607 HE3 MET 78 2HE MET 78 -6.945 -7.259 -19.654 608 H ILE 79 H ILE 79 -3.398 -8.351 -25.252 609 HA ILE 79 HA ILE 79 -2.640 -6.338 -27.086 610 HB ILE 79 HB ILE 79 -0.890 -7.913 -27.819 611 HG12 ILE 79 2HG1 ILE 79 -2.339 -9.837 -25.990 612 HG13 ILE 79 3HG1 ILE 79 -2.123 -9.998 -27.729 613 HG21 ILE 79 1HG2 ILE 79 -0.573 -6.527 -25.820 614 HG22 ILE 79 2HG2 ILE 79 -1.239 -7.821 -24.826 615 HG23 ILE 79 3HG2 ILE 79 0.277 -8.067 -25.692 616 HD11 ILE 79 3HD1 ILE 79 0.450 -9.792 -26.862 617 HD12 ILE 79 1HD1 ILE 79 -0.318 -10.670 -25.539 618 HD13 ILE 79 2HD1 ILE 79 -0.402 -11.303 -27.183 619 H THR 80 H THR 80 -4.270 -9.438 -27.463 620 HA THR 80 HA THR 80 -4.183 -9.541 -30.286 621 HB THR 80 HB THR 80 -6.152 -11.114 -30.037 622 HG1 THR 80 HG1 THR 80 -7.082 -10.414 -28.142 623 HG21 THR 80 3HG2 THR 80 -4.679 -12.680 -28.447 624 HG22 THR 80 1HG2 THR 80 -3.476 -11.440 -28.801 625 HG23 THR 80 2HG2 THR 80 -4.232 -12.337 -30.118 626 H ASN 81 H ASN 81 -6.662 -8.365 -28.028 627 HA ASN 81 HA ASN 81 -8.547 -7.633 -29.991 628 HB2 ASN 81 2HB ASN 81 -8.120 -6.689 -27.154 629 HB3 ASN 81 3HB ASN 81 -9.472 -6.155 -28.148 630 HD21 ASN 81 1HD2 ASN 81 -9.255 -7.797 -25.651 631 HD22 ASN 81 2HD2 ASN 81 -10.168 -9.224 -25.990 632 H ALA 82 H ALA 82 -5.963 -5.822 -28.388 633 HA ALA 82 HA ALA 82 -6.554 -3.306 -29.511 634 HB1 ALA 82 1HB ALA 82 -4.865 -4.114 -27.604 635 HB2 ALA 82 2HB ALA 82 -3.724 -3.950 -28.940 636 HB3 ALA 82 3HB ALA 82 -4.700 -2.569 -28.439 637 H LEU 83 H LEU 83 -4.481 -5.959 -30.596 638 HA LEU 83 HA LEU 83 -3.341 -4.609 -32.798 639 HB2 LEU 83 2HB LEU 83 -2.197 -6.515 -32.150 640 HB3 LEU 83 3HB LEU 83 -3.669 -7.476 -32.023 641 HG LEU 83 HG LEU 83 -2.871 -6.540 -34.726 642 HD11 LEU 83 1HD1 LEU 83 -1.589 -8.999 -33.611 643 HD12 LEU 83 2HD1 LEU 83 -0.813 -7.427 -33.428 644 HD13 LEU 83 3HD1 LEU 83 -1.157 -8.058 -35.038 645 HD21 LEU 83 3HD2 LEU 83 -3.535 -9.307 -34.481 646 HD22 LEU 83 1HD2 LEU 83 -4.420 -8.019 -35.299 647 HD23 LEU 83 2HD2 LEU 83 -4.716 -8.345 -33.590 648 H GLU 84 H GLU 84 -6.206 -6.662 -32.477 649 HA GLU 84 HA GLU 84 -6.866 -6.764 -35.212 650 HB2 GLU 84 2HB GLU 84 -8.072 -7.548 -32.701 651 HB3 GLU 84 3HB GLU 84 -9.276 -6.878 -33.791 652 HG2 GLU 84 2HG GLU 84 -9.113 -9.288 -34.030 653 HG3 GLU 84 3HG GLU 84 -8.629 -8.467 -35.513 654 H TYR 85 H TYR 85 -7.520 -4.408 -32.707 655 HA TYR 85 HA TYR 85 -9.344 -2.903 -34.388 656 HB2 TYR 85 2HB TYR 85 -9.902 -2.911 -32.074 657 HB3 TYR 85 3HB TYR 85 -8.264 -2.471 -31.604 658 HD1 TYR 85 HD1 TYR 85 -10.721 -1.040 -34.036 659 HD2 TYR 85 HD2 TYR 85 -8.224 -0.372 -30.657 660 HE1 TYR 85 HE1 TYR 85 -11.366 1.334 -34.037 661 HE2 TYR 85 HE2 TYR 85 -8.862 2.003 -30.648 662 HH TYR 85 HH TYR 85 -10.195 3.558 -33.144 663 H ASN 86 H ASN 86 -5.989 -3.015 -33.709 664 HA ASN 86 HA ASN 86 -5.385 -0.291 -34.341 665 HB2 ASN 86 2HB ASN 86 -3.871 -2.740 -33.695 666 HB3 ASN 86 3HB ASN 86 -3.037 -1.610 -34.758 667 HD21 ASN 86 1HD2 ASN 86 -5.298 -1.020 -32.105 668 HD22 ASN 86 2HD2 ASN 86 -4.207 -0.078 -31.153 669 H ALA 87 H ALA 87 -5.978 -3.146 -36.166 670 HA ALA 87 HA ALA 87 -4.545 -2.470 -38.519 671 HB1 ALA 87 1HB ALA 87 -7.027 -4.124 -38.614 672 HB2 ALA 87 2HB ALA 87 -5.503 -4.331 -39.478 673 HB3 ALA 87 3HB ALA 87 -5.607 -4.733 -37.764 674 H LYS 88 H LYS 88 -4.947 -0.396 -39.190 675 HA LYS 88 HA LYS 88 -7.560 0.044 -40.419 676 HB2 LYS 88 2HB LYS 88 -7.840 1.161 -38.322 677 HB3 LYS 88 3HB LYS 88 -6.254 1.911 -38.440 678 HG2 LYS 88 2HG LYS 88 -7.032 3.234 -40.352 679 HG3 LYS 88 3HG LYS 88 -8.630 2.498 -40.197 680 HD2 LYS 88 2HD LYS 88 -7.680 3.602 -37.684 681 HD3 LYS 88 3HD LYS 88 -7.755 4.819 -38.961 682 HE2 LYS 88 2HE LYS 88 -10.062 2.971 -38.651 683 HE3 LYS 88 3HE LYS 88 -9.851 4.239 -37.445 684 HZ1 LYS 88 3HZ LYS 88 -11.226 5.130 -39.112 685 HZ2 LYS 88 1HZ LYS 88 -10.243 4.555 -40.363 686 HZ3 LYS 88 2HZ LYS 88 -9.705 5.819 -39.377 687 H GLY 89 H GLY 89 -4.235 1.179 -39.971 688 HA2 GLY 89 2HA GLY 89 -4.346 2.430 -42.633 689 HA3 GLY 89 3HA GLY 89 -3.150 2.779 -41.394 690 H SER 90 H SER 90 -1.521 1.169 -40.949 691 HA SER 90 HA SER 90 -1.166 -1.188 -42.403 692 HB2 SER 90 2HB SER 90 -0.690 -0.342 -44.448 693 HB3 SER 90 3HB SER 90 -0.372 1.271 -43.811 694 HG SER 90 HG SER 90 1.646 0.794 -44.104 695 H THR 91 H THR 91 0.834 1.612 -41.459 696 HA THR 91 HA THR 91 2.989 0.073 -40.489 697 HB THR 91 HB THR 91 2.436 2.781 -39.352 698 HG1 THR 91 HG1 THR 91 3.459 3.523 -41.439 699 HG21 THR 91 3HG2 THR 91 5.006 2.568 -40.457 700 HG22 THR 91 1HG2 THR 91 4.684 1.015 -39.686 701 HG23 THR 91 2HG2 THR 91 4.565 2.505 -38.750 702 H TRP 92 H TRP 92 0.251 1.614 -38.836 703 HA TRP 92 HA TRP 92 0.957 1.037 -36.212 704 HB2 TRP 92 2HB TRP 92 -1.282 2.099 -37.534 705 HB3 TRP 92 3HB TRP 92 -1.893 0.741 -36.593 706 HD1 TRP 92 HD1 TRP 92 0.877 3.249 -35.564 707 HE1 TRP 92 HE1 TRP 92 0.157 4.365 -33.360 708 HE3 TRP 92 HE3 TRP 92 -3.757 1.149 -35.068 709 HZ2 TRP 92 HZ2 TRP 92 -2.080 4.356 -31.638 710 HZ3 TRP 92 HZ3 TRP 92 -5.124 1.755 -33.114 711 HH2 TRP 92 HH2 TRP 92 -4.300 3.326 -31.435 712 H TYR 93 H TYR 93 -0.520 -0.999 -38.655 713 HA TYR 93 HA TYR 93 -1.371 -3.095 -36.984 714 HB2 TYR 93 2HB TYR 93 -2.041 -2.790 -39.370 715 HB3 TYR 93 3HB TYR 93 -0.431 -3.314 -39.850 716 HD1 TYR 93 HD1 TYR 93 -2.699 -4.655 -37.211 717 HD2 TYR 93 HD2 TYR 93 -0.723 -5.361 -40.912 718 HE1 TYR 93 HE1 TYR 93 -3.453 -6.995 -37.159 719 HE2 TYR 93 HE2 TYR 93 -1.472 -7.704 -40.871 720 HH TYR 93 HH TYR 93 -2.888 -9.167 -39.873 721 H GLN 94 H GLN 94 1.650 -2.653 -38.807 722 HA GLN 94 HA GLN 94 2.849 -5.066 -37.961 723 HB2 GLN 94 2HB GLN 94 3.574 -2.789 -39.559 724 HB3 GLN 94 3HB GLN 94 4.895 -3.191 -38.470 725 HG2 GLN 94 2HG GLN 94 4.822 -5.514 -39.289 726 HG3 GLN 94 3HG GLN 94 3.565 -5.045 -40.432 727 HE21 GLN 94 1HE2 GLN 94 5.971 -6.179 -41.220 728 HE22 GLN 94 2HE2 GLN 94 6.878 -5.007 -42.107 729 H GLU 95 H GLU 95 2.848 -1.800 -36.644 730 HA GLU 95 HA GLU 95 4.863 -2.155 -34.717 731 HB2 GLU 95 2HB GLU 95 4.176 0.064 -35.216 732 HB3 GLU 95 3HB GLU 95 2.494 -0.298 -34.855 733 HG2 GLU 95 2HG GLU 95 3.070 -0.584 -32.493 734 HG3 GLU 95 3HG GLU 95 4.747 -0.188 -32.863 735 H ALA 96 H ALA 96 1.339 -2.543 -34.504 736 HA ALA 96 HA ALA 96 1.307 -3.291 -31.771 737 HB1 ALA 96 1HB ALA 96 -0.970 -4.371 -32.641 738 HB2 ALA 96 2HB ALA 96 -0.776 -2.637 -32.383 739 HB3 ALA 96 3HB ALA 96 -0.632 -3.308 -34.008 740 H MET 97 H MET 97 1.471 -5.132 -34.783 741 HA MET 97 HA MET 97 1.199 -7.690 -33.596 742 HB2 MET 97 2HB MET 97 0.984 -6.962 -36.087 743 HB3 MET 97 3HB MET 97 2.723 -7.223 -36.139 744 HG2 MET 97 2HG MET 97 1.630 -9.491 -34.904 745 HG3 MET 97 3HG MET 97 0.595 -9.127 -36.283 746 HE1 MET 97 3HE MET 97 3.122 -10.859 -34.900 747 HE2 MET 97 1HE MET 97 3.664 -11.827 -36.272 748 HE3 MET 97 2HE MET 97 4.655 -10.488 -35.692 749 H SER 98 H SER 98 4.019 -5.759 -34.543 750 HA SER 98 HA SER 98 5.968 -7.679 -33.866 751 HB2 SER 98 2HB SER 98 6.533 -5.799 -35.290 752 HB3 SER 98 3HB SER 98 6.151 -4.660 -33.998 753 HG SER 98 HG SER 98 8.240 -6.583 -34.002 754 H PHE 99 H PHE 99 4.484 -5.051 -32.022 755 HA PHE 99 HA PHE 99 6.093 -5.371 -29.709 756 HB2 PHE 99 2HB PHE 99 3.581 -3.923 -30.383 757 HB3 PHE 99 3HB PHE 99 3.920 -4.208 -28.679 758 HD1 PHE 99 HD1 PHE 99 6.153 -3.374 -31.543 759 HD2 PHE 99 HD2 PHE 99 4.610 -2.221 -27.748 760 HE1 PHE 99 HE1 PHE 99 7.662 -1.430 -31.524 761 HE2 PHE 99 HE2 PHE 99 6.115 -0.276 -27.723 762 HZ PHE 99 HZ PHE 99 7.643 0.123 -29.612 763 H ARG 100 H ARG 100 3.039 -6.763 -30.757 764 HA ARG 100 HA ARG 100 2.326 -7.963 -28.302 765 HB2 ARG 100 2HB ARG 100 0.637 -7.720 -29.965 766 HB3 ARG 100 3HB ARG 100 1.594 -8.587 -31.159 767 HG2 ARG 100 2HG ARG 100 1.006 -10.136 -28.750 768 HG3 ARG 100 3HG ARG 100 -0.418 -9.661 -29.678 769 HD2 ARG 100 2HD ARG 100 1.935 -10.804 -31.109 770 HD3 ARG 100 3HD ARG 100 0.867 -11.887 -30.217 771 HE ARG 100 HE ARG 100 -0.744 -10.277 -31.803 772 HH11 ARG 100 1HH1 ARG 100 1.744 -12.674 -32.230 773 HH12 ARG 100 2HH1 ARG 100 1.133 -13.226 -33.754 774 HH21 ARG 100 1HH2 ARG 100 -1.559 -10.995 -33.808 775 HH22 ARG 100 2HH2 ARG 100 -0.746 -12.270 -34.651 776 H LYS 101 H LYS 101 4.588 -8.826 -30.769 777 HA LYS 101 HA LYS 101 4.774 -11.601 -30.186 778 HB2 LYS 101 2HB LYS 101 5.577 -10.859 -32.303 779 HB3 LYS 101 3HB LYS 101 6.633 -9.665 -31.561 780 HG2 LYS 101 2HG LYS 101 7.091 -12.500 -30.846 781 HG3 LYS 101 3HG LYS 101 7.519 -11.993 -32.482 782 HD2 LYS 101 2HD LYS 101 8.450 -10.023 -30.645 783 HD3 LYS 101 3HD LYS 101 8.976 -11.611 -30.081 784 HE2 LYS 101 2HE LYS 101 9.296 -10.852 -32.956 785 HE3 LYS 101 3HE LYS 101 10.454 -10.279 -31.757 786 HZ1 LYS 101 3HZ LYS 101 10.351 -12.780 -32.997 787 HZ2 LYS 101 1HZ LYS 101 10.035 -13.019 -31.353 788 HZ3 LYS 101 2HZ LYS 101 11.454 -12.236 -31.836 789 H THR 102 H THR 102 6.026 -8.761 -28.691 790 HA THR 102 HA THR 102 7.764 -10.415 -26.978 791 HB THR 102 HB THR 102 9.071 -8.766 -28.187 792 HG1 THR 102 HG1 THR 102 10.120 -8.658 -26.359 793 HG21 THR 102 3HG2 THR 102 8.680 -6.342 -27.803 794 HG22 THR 102 1HG2 THR 102 7.175 -6.749 -26.980 795 HG23 THR 102 2HG2 THR 102 7.373 -7.124 -28.692 796 H TYR 103 H TYR 103 4.900 -8.693 -27.080 797 HA TYR 103 HA TYR 103 4.830 -7.445 -24.564 798 HB2 TYR 103 2HB TYR 103 3.167 -7.377 -26.614 799 HB3 TYR 103 3HB TYR 103 2.355 -8.659 -25.721 800 HD1 TYR 103 HD1 TYR 103 2.522 -7.889 -22.968 801 HD2 TYR 103 HD2 TYR 103 1.971 -5.416 -26.386 802 HE1 TYR 103 HE1 TYR 103 1.404 -6.207 -21.564 803 HE2 TYR 103 HE2 TYR 103 0.852 -3.728 -24.991 804 HH TYR 103 HH TYR 103 0.628 -4.095 -21.486 805 H LEU 104 H LEU 104 3.558 -10.622 -25.562 806 HA LEU 104 HA LEU 104 2.886 -11.409 -22.911 807 HB2 LEU 104 2HB LEU 104 2.570 -13.645 -23.899 808 HB3 LEU 104 3HB LEU 104 1.720 -12.372 -24.772 809 HG LEU 104 HG LEU 104 4.315 -12.832 -25.936 810 HD11 LEU 104 1HD1 LEU 104 4.222 -15.063 -26.569 811 HD12 LEU 104 2HD1 LEU 104 2.524 -15.224 -26.119 812 HD13 LEU 104 3HD1 LEU 104 3.761 -15.111 -24.867 813 HD21 LEU 104 3HD2 LEU 104 1.615 -13.408 -27.122 814 HD22 LEU 104 1HD2 LEU 104 3.089 -12.889 -27.940 815 HD23 LEU 104 2HD2 LEU 104 2.216 -11.764 -26.899 816 H ASP 105 H ASP 105 5.690 -11.856 -24.976 817 HA ASP 105 HA ASP 105 7.010 -13.836 -23.498 818 HB2 ASP 105 2HB ASP 105 7.608 -12.956 -25.810 819 HB3 ASP 105 3HB ASP 105 8.389 -11.606 -24.993 820 H LEU 106 H LEU 106 7.066 -10.308 -23.216 821 HA LEU 106 HA LEU 106 9.036 -10.212 -21.179 822 HB2 LEU 106 2HB LEU 106 7.775 -8.374 -22.758 823 HB3 LEU 106 3HB LEU 106 7.052 -8.057 -21.182 824 HG LEU 106 HG LEU 106 8.883 -6.568 -21.437 825 HD11 LEU 106 1HD1 LEU 106 8.611 -8.132 -19.298 826 HD12 LEU 106 2HD1 LEU 106 9.878 -6.913 -19.431 827 HD13 LEU 106 3HD1 LEU 106 10.242 -8.604 -19.774 828 HD21 LEU 106 3HD2 LEU 106 10.323 -7.255 -23.045 829 HD22 LEU 106 1HD2 LEU 106 10.223 -8.950 -22.567 830 HD23 LEU 106 2HD2 LEU 106 11.229 -7.832 -21.645 831 H ALA 107 H ALA 107 5.535 -10.488 -21.159 832 HA ALA 107 HA ALA 107 5.513 -10.428 -18.229 833 HB1 ALA 107 1HB ALA 107 3.303 -9.850 -18.309 834 HB2 ALA 107 2HB ALA 107 3.854 -9.164 -19.838 835 HB3 ALA 107 3HB ALA 107 3.015 -10.716 -19.819 836 H ARG 108 H ARG 108 6.773 -12.590 -18.686 837 HA ARG 108 HA ARG 108 5.131 -14.695 -17.805 838 HB2 ARG 108 2HB ARG 108 4.601 -14.461 -20.355 839 HB3 ARG 108 3HB ARG 108 6.150 -15.267 -20.564 840 HG2 ARG 108 2HG ARG 108 4.940 -17.142 -20.470 841 HG3 ARG 108 3HG ARG 108 4.961 -16.873 -18.726 842 HD2 ARG 108 2HD ARG 108 2.850 -15.500 -19.069 843 HD3 ARG 108 3HD ARG 108 2.797 -16.179 -20.695 844 HE ARG 108 HE ARG 108 2.045 -17.479 -18.282 845 HH11 ARG 108 1HH1 ARG 108 3.484 -18.033 -21.403 846 HH12 ARG 108 2HH1 ARG 108 2.996 -19.694 -21.479 847 HH21 ARG 108 1HH2 ARG 108 1.396 -19.665 -18.370 848 HH22 ARG 108 2HH2 ARG 108 1.808 -20.621 -19.753 849 H GLN 109 H GLN 109 7.985 -14.332 -19.919 850 HA GLN 109 HA GLN 109 9.444 -16.382 -18.585 851 HB2 GLN 109 2HB GLN 109 10.608 -14.208 -20.321 852 HB3 GLN 109 3HB GLN 109 11.261 -15.813 -20.023 853 HG2 GLN 109 2HG GLN 109 8.658 -16.121 -21.096 854 HG3 GLN 109 3HG GLN 109 9.527 -14.955 -22.093 855 HE21 GLN 109 1HE2 GLN 109 8.664 -17.757 -22.575 856 HE22 GLN 109 2HE2 GLN 109 10.096 -18.590 -23.066 857 H SER 110 H SER 110 9.280 -12.889 -18.301 858 HA SER 110 HA SER 110 11.514 -12.752 -16.476 859 HB2 SER 110 2HB SER 110 9.531 -10.530 -16.871 860 HB3 SER 110 3HB SER 110 11.262 -10.430 -16.547 861 HG SER 110 HG SER 110 9.929 -10.989 -18.958 862 H GLY 111 H GLY 111 8.496 -13.911 -16.131 863 HA2 GLY 111 2HA GLY 111 7.815 -12.682 -13.598 864 HA3 GLY 111 3HA GLY 111 6.941 -13.979 -14.399 Start of MODEL 12 1 H1 MET 1 H MET 1 -1.403 -0.046 -5.374 2 HA MET 1 HA MET 1 -0.135 1.228 -3.432 3 HB2 MET 1 2HB MET 1 -2.217 3.021 -4.489 4 HB3 MET 1 3HB MET 1 -2.204 2.864 -2.737 5 HG2 MET 1 2HG MET 1 0.201 3.588 -4.391 6 HG3 MET 1 3HG MET 1 -0.859 4.756 -3.605 7 HE1 MET 1 3HE MET 1 0.129 4.829 -0.030 8 HE2 MET 1 1HE MET 1 0.157 5.874 -1.451 9 HE3 MET 1 2HE MET 1 -1.269 4.896 -1.105 10 H SER 2 H SER 2 -0.611 -0.993 -2.864 11 HA SER 2 HA SER 2 -2.591 -1.194 -0.850 12 HB2 SER 2 2HB SER 2 -3.453 -3.329 -2.465 13 HB3 SER 2 3HB SER 2 -4.365 -1.883 -2.034 14 HG SER 2 HG SER 2 -4.193 -2.199 -4.312 15 H LYS 3 H LYS 3 -2.893 -3.773 -0.408 16 HA LYS 3 HA LYS 3 -0.187 -4.932 -0.528 17 HB2 LYS 3 2HB LYS 3 -1.558 -4.093 1.760 18 HB3 LYS 3 3HB LYS 3 -1.729 -5.844 1.752 19 HG2 LYS 3 2HG LYS 3 0.806 -5.892 1.364 20 HG3 LYS 3 3HG LYS 3 0.772 -4.202 1.874 21 HD2 LYS 3 2HD LYS 3 -0.679 -6.105 3.602 22 HD3 LYS 3 3HD LYS 3 1.077 -6.275 3.571 23 HE2 LYS 3 2HE LYS 3 0.227 -4.755 5.355 24 HE3 LYS 3 3HE LYS 3 1.376 -4.001 4.251 25 HZ1 LYS 3 3HZ LYS 3 -1.532 -3.773 3.801 26 HZ2 LYS 3 1HZ LYS 3 -0.289 -2.779 3.226 27 HZ3 LYS 3 2HZ LYS 3 -0.733 -2.721 4.857 28 H ASN 4 H ASN 4 -0.018 -7.109 -0.922 29 HA ASN 4 HA ASN 4 -2.491 -8.422 -1.800 30 HB2 ASN 4 2HB ASN 4 0.356 -9.253 -2.388 31 HB3 ASN 4 3HB ASN 4 -1.108 -9.840 -3.170 32 HD21 ASN 4 1HD2 ASN 4 -2.229 -8.463 -4.591 33 HD22 ASN 4 2HD2 ASN 4 -1.444 -7.116 -5.337 34 H GLU 5 H GLU 5 -3.379 -9.822 -0.445 35 HA GLU 5 HA GLU 5 -2.235 -10.742 1.921 36 HB2 GLU 5 2HB GLU 5 -4.683 -10.719 1.339 37 HB3 GLU 5 3HB GLU 5 -4.402 -12.152 0.361 38 HG2 GLU 5 2HG GLU 5 -4.658 -13.429 2.141 39 HG3 GLU 5 3HG GLU 5 -3.301 -12.626 2.927 40 H ARG 6 H ARG 6 -1.971 -11.945 -1.316 41 HA ARG 6 HA ARG 6 -0.797 -14.464 -0.420 42 HB2 ARG 6 2HB ARG 6 -2.332 -13.758 -2.634 43 HB3 ARG 6 3HB ARG 6 -0.714 -13.982 -3.284 44 HG2 ARG 6 2HG ARG 6 -1.272 -16.136 -3.414 45 HG3 ARG 6 3HG ARG 6 -0.980 -16.167 -1.674 46 HD2 ARG 6 2HD ARG 6 -3.565 -15.215 -1.889 47 HD3 ARG 6 3HD ARG 6 -3.466 -16.439 -3.154 48 HE ARG 6 HE ARG 6 -2.372 -17.489 -0.797 49 HH11 ARG 6 1HH1 ARG 6 -5.442 -16.490 -2.100 50 HH12 ARG 6 2HH1 ARG 6 -6.360 -17.591 -1.127 51 HH21 ARG 6 1HH2 ARG 6 -3.570 -18.943 0.489 52 HH22 ARG 6 2HH2 ARG 6 -5.294 -18.985 0.345 53 H ASP 7 H ASP 7 1.106 -15.065 -2.151 54 HA ASP 7 HA ASP 7 2.938 -12.939 -2.686 55 HB2 ASP 7 2HB ASP 7 4.713 -13.679 -1.126 56 HB3 ASP 7 3HB ASP 7 3.296 -13.059 -0.283 57 H THR 8 H THR 8 1.669 -15.283 -3.953 58 HA THR 8 HA THR 8 3.937 -16.206 -5.414 59 HB THR 8 HB THR 8 4.315 -17.740 -3.644 60 HG1 THR 8 HG1 THR 8 4.359 -19.447 -4.914 61 HG21 THR 8 3HG2 THR 8 2.606 -18.028 -2.215 62 HG22 THR 8 1HG2 THR 8 2.114 -19.335 -3.291 63 HG23 THR 8 2HG2 THR 8 1.394 -17.734 -3.462 64 H SER 9 H SER 9 2.405 -15.130 -6.901 65 HA SER 9 HA SER 9 1.054 -16.979 -8.508 66 HB2 SER 9 2HB SER 9 -0.564 -15.732 -6.382 67 HB3 SER 9 3HB SER 9 -1.262 -15.626 -7.999 68 HG SER 9 HG SER 9 -1.503 -17.634 -6.475 69 H PHE 10 H PHE 10 0.975 -13.600 -7.422 70 HA PHE 10 HA PHE 10 0.672 -12.727 -10.201 71 HB2 PHE 10 2HB PHE 10 0.143 -10.538 -9.294 72 HB3 PHE 10 3HB PHE 10 -0.835 -11.758 -8.485 73 HD1 PHE 10 HD1 PHE 10 -0.346 -12.403 -6.168 74 HD2 PHE 10 HD2 PHE 10 1.763 -9.256 -8.109 75 HE1 PHE 10 HE1 PHE 10 0.451 -11.596 -3.985 76 HE2 PHE 10 HE2 PHE 10 2.564 -8.444 -5.929 77 HZ PHE 10 HZ PHE 10 1.909 -9.614 -3.863 78 H ASN 11 H ASN 11 2.323 -11.941 -11.336 79 HA ASN 11 HA ASN 11 4.853 -11.441 -9.930 80 HB2 ASN 11 2HB ASN 11 4.706 -13.180 -11.792 81 HB3 ASN 11 3HB ASN 11 4.510 -11.827 -12.902 82 HD21 ASN 11 1HD2 ASN 11 6.406 -12.152 -13.986 83 HD22 ASN 11 2HD2 ASN 11 7.960 -11.901 -13.274 84 H LYS 12 H LYS 12 5.230 -9.373 -9.511 85 HA LYS 12 HA LYS 12 3.915 -7.179 -10.554 86 HB2 LYS 12 2HB LYS 12 5.662 -5.819 -9.596 87 HB3 LYS 12 3HB LYS 12 5.342 -7.171 -8.518 88 HG2 LYS 12 2HG LYS 12 7.310 -8.335 -9.458 89 HG3 LYS 12 3HG LYS 12 7.652 -6.901 -10.430 90 HD2 LYS 12 2HD LYS 12 7.298 -6.566 -7.494 91 HD3 LYS 12 3HD LYS 12 8.798 -7.290 -8.078 92 HE2 LYS 12 2HE LYS 12 9.145 -5.343 -9.540 93 HE3 LYS 12 3HE LYS 12 7.666 -4.620 -8.911 94 HZ1 LYS 12 3HZ LYS 12 10.148 -5.208 -7.395 95 HZ2 LYS 12 1HZ LYS 12 8.703 -4.699 -6.677 96 HZ3 LYS 12 2HZ LYS 12 9.512 -3.684 -7.761 97 H ASN 13 H ASN 13 6.720 -8.877 -11.792 98 HA ASN 13 HA ASN 13 7.655 -7.008 -13.632 99 HB2 ASN 13 2HB ASN 13 8.442 -9.483 -12.929 100 HB3 ASN 13 3HB ASN 13 7.669 -9.857 -14.466 101 HD21 ASN 13 1HD2 ASN 13 8.643 -9.287 -16.339 102 HD22 ASN 13 2HD2 ASN 13 10.197 -8.537 -16.428 103 H GLY 14 H GLY 14 5.071 -9.407 -13.934 104 HA2 GLY 14 2HA GLY 14 4.547 -9.120 -16.665 105 HA3 GLY 14 3HA GLY 14 3.371 -9.621 -15.459 106 H CYS 15 H CYS 15 3.251 -7.307 -13.906 107 HA CYS 15 HA CYS 15 1.455 -5.742 -15.446 108 HB2 CYS 15 2HB CYS 15 2.673 -5.010 -12.779 109 HB3 CYS 15 3HB CYS 15 1.162 -4.417 -13.458 110 HG CYS 15 HG CYS 15 1.595 -6.909 -11.453 111 H LEU 16 H LEU 16 4.784 -5.286 -14.384 112 HA LEU 16 HA LEU 16 5.069 -2.593 -15.122 113 HB2 LEU 16 2HB LEU 16 6.639 -3.950 -13.713 114 HB3 LEU 16 3HB LEU 16 7.217 -4.703 -15.198 115 HG LEU 16 HG LEU 16 7.848 -2.369 -15.970 116 HD11 LEU 16 1HD1 LEU 16 8.287 -0.800 -14.033 117 HD12 LEU 16 2HD1 LEU 16 7.189 -1.809 -13.092 118 HD13 LEU 16 3HD1 LEU 16 6.605 -0.977 -14.533 119 HD21 LEU 16 3HD2 LEU 16 9.184 -4.242 -14.377 120 HD22 LEU 16 1HD2 LEU 16 9.564 -2.665 -13.683 121 HD23 LEU 16 2HD2 LEU 16 9.900 -2.984 -15.385 122 H VAL 17 H VAL 17 5.759 -5.577 -16.924 123 HA VAL 17 HA VAL 17 6.642 -4.258 -19.278 124 HB VAL 17 HB VAL 17 6.362 -6.450 -20.382 125 HG11 VAL 17 1HG1 VAL 17 8.423 -6.641 -19.548 126 HG12 VAL 17 2HG1 VAL 17 7.953 -5.928 -18.004 127 HG13 VAL 17 3HG1 VAL 17 7.702 -7.650 -18.294 128 HG21 VAL 17 3HG2 VAL 17 4.341 -7.197 -19.258 129 HG22 VAL 17 1HG2 VAL 17 5.629 -8.383 -19.050 130 HG23 VAL 17 2HG2 VAL 17 5.207 -7.298 -17.725 131 H PHE 18 H PHE 18 3.517 -5.397 -18.148 132 HA PHE 18 HA PHE 18 2.097 -5.221 -20.557 133 HB2 PHE 18 2HB PHE 18 1.438 -6.103 -18.136 134 HB3 PHE 18 3HB PHE 18 0.734 -4.494 -18.007 135 HD1 PHE 18 HD1 PHE 18 -0.170 -4.107 -20.813 136 HD2 PHE 18 HD2 PHE 18 -0.442 -7.477 -18.227 137 HE1 PHE 18 HE1 PHE 18 -2.162 -4.880 -22.034 138 HE2 PHE 18 HE2 PHE 18 -2.433 -8.255 -19.444 139 HZ PHE 18 HZ PHE 18 -3.295 -6.957 -21.351 140 H VAL 19 H VAL 19 2.166 -2.858 -17.883 141 HA VAL 19 HA VAL 19 0.837 -0.818 -19.295 142 HB VAL 19 HB VAL 19 2.753 -0.552 -16.973 143 HG11 VAL 19 1HG1 VAL 19 0.950 1.373 -18.365 144 HG12 VAL 19 2HG1 VAL 19 1.195 1.527 -16.624 145 HG13 VAL 19 3HG1 VAL 19 2.574 1.614 -17.721 146 HG21 VAL 19 3HG2 VAL 19 1.046 -1.931 -16.196 147 HG22 VAL 19 1HG2 VAL 19 0.501 -0.317 -15.736 148 HG23 VAL 19 2HG2 VAL 19 -0.187 -1.110 -17.154 149 H SER 20 H SER 20 4.286 -1.469 -18.793 150 HA SER 20 HA SER 20 5.335 0.818 -19.975 151 HB2 SER 20 2HB SER 20 6.381 -1.997 -19.731 152 HB3 SER 20 3HB SER 20 7.320 -0.734 -20.526 153 HG SER 20 HG SER 20 7.748 0.119 -18.650 154 H ARG 21 H ARG 21 4.375 -2.253 -21.457 155 HA ARG 21 HA ARG 21 5.209 -1.565 -24.082 156 HB2 ARG 21 2HB ARG 21 3.296 -3.641 -23.021 157 HB3 ARG 21 3HB ARG 21 3.649 -3.467 -24.735 158 HG2 ARG 21 2HG ARG 21 5.810 -3.890 -22.697 159 HG3 ARG 21 3HG ARG 21 4.948 -5.230 -23.456 160 HD2 ARG 21 2HD ARG 21 6.460 -5.106 -25.090 161 HD3 ARG 21 3HD ARG 21 5.655 -3.617 -25.584 162 HE ARG 21 HE ARG 21 7.383 -2.750 -23.715 163 HH11 ARG 21 1HH1 ARG 21 7.768 -4.795 -26.505 164 HH12 ARG 21 2HH1 ARG 21 9.410 -4.319 -26.790 165 HH21 ARG 21 1HH2 ARG 21 9.543 -2.114 -24.079 166 HH22 ARG 21 2HH2 ARG 21 10.418 -2.795 -25.409 167 H LEU 22 H LEU 22 2.170 -1.252 -22.325 168 HA LEU 22 HA LEU 22 0.512 -0.540 -24.461 169 HB2 LEU 22 2HB LEU 22 0.461 -0.225 -21.526 170 HB3 LEU 22 3HB LEU 22 -0.571 0.872 -22.442 171 HG LEU 22 HG LEU 22 -0.834 -1.936 -23.228 172 HD11 LEU 22 1HD1 LEU 22 -2.026 -1.222 -20.582 173 HD12 LEU 22 2HD1 LEU 22 -0.404 -1.909 -20.671 174 HD13 LEU 22 3HD1 LEU 22 -1.779 -2.810 -21.310 175 HD21 LEU 22 3HD2 LEU 22 -3.231 -1.340 -23.012 176 HD22 LEU 22 1HD2 LEU 22 -2.330 -0.248 -24.063 177 HD23 LEU 22 2HD2 LEU 22 -2.748 0.251 -22.423 178 H TRP 23 H TRP 23 2.458 1.493 -22.295 179 HA TRP 23 HA TRP 23 1.695 3.978 -23.319 180 HB2 TRP 23 2HB TRP 23 4.201 3.025 -21.947 181 HB3 TRP 23 3HB TRP 23 4.013 4.698 -22.465 182 HD1 TRP 23 HD1 TRP 23 0.753 4.566 -21.614 183 HE1 TRP 23 HE1 TRP 23 0.230 4.929 -19.120 184 HE3 TRP 23 HE3 TRP 23 5.365 3.545 -19.660 185 HZ2 TRP 23 HZ2 TRP 23 1.592 4.800 -16.652 186 HZ3 TRP 23 HZ3 TRP 23 5.672 3.688 -17.223 187 HH2 TRP 23 HH2 TRP 23 3.823 4.303 -15.752 188 H ASP 24 H ASP 24 4.124 1.681 -24.408 189 HA ASP 24 HA ASP 24 5.360 3.395 -26.304 190 HB2 ASP 24 2HB ASP 24 5.678 0.709 -25.390 191 HB3 ASP 24 3HB ASP 24 5.589 0.687 -27.149 192 H LEU 25 H LEU 25 3.072 0.693 -26.744 193 HA LEU 25 HA LEU 25 2.651 1.053 -29.478 194 HB2 LEU 25 2HB LEU 25 1.096 -0.576 -29.297 195 HB3 LEU 25 3HB LEU 25 1.876 -0.793 -27.731 196 HG LEU 25 HG LEU 25 -0.019 0.908 -26.977 197 HD11 LEU 25 1HD1 LEU 25 -0.894 -0.125 -29.604 198 HD12 LEU 25 2HD1 LEU 25 -1.294 1.383 -28.784 199 HD13 LEU 25 3HD1 LEU 25 -2.095 -0.115 -28.312 200 HD21 LEU 25 3HD2 LEU 25 -0.932 -0.865 -25.908 201 HD22 LEU 25 1HD2 LEU 25 0.507 -1.678 -26.524 202 HD23 LEU 25 2HD2 LEU 25 -1.029 -1.841 -27.374 203 H ASP 26 H ASP 26 1.421 2.797 -26.756 204 HA ASP 26 HA ASP 26 -0.815 3.978 -28.090 205 HB2 ASP 26 2HB ASP 26 -0.857 3.841 -25.688 206 HB3 ASP 26 3HB ASP 26 0.661 4.725 -25.561 207 H LYS 27 H LYS 27 0.369 4.588 -30.059 208 HA LYS 27 HA LYS 27 2.354 6.621 -30.005 209 HB2 LYS 27 2HB LYS 27 1.110 4.974 -31.959 210 HB3 LYS 27 3HB LYS 27 0.939 6.643 -32.488 211 HG2 LYS 27 2HG LYS 27 2.984 6.441 -33.328 212 HG3 LYS 27 3HG LYS 27 3.564 6.505 -31.662 213 HD2 LYS 27 2HD LYS 27 2.648 3.867 -32.631 214 HD3 LYS 27 3HD LYS 27 4.131 4.494 -33.355 215 HE2 LYS 27 2HE LYS 27 3.774 4.539 -30.386 216 HE3 LYS 27 3HE LYS 27 4.248 3.045 -31.193 217 HZ1 LYS 27 3HZ LYS 27 5.917 4.886 -32.269 218 HZ2 LYS 27 1HZ LYS 27 6.309 3.831 -31.006 219 HZ3 LYS 27 2HZ LYS 27 5.794 5.405 -30.664 220 H LEU 28 H LEU 28 -1.129 6.628 -30.065 221 HA LEU 28 HA LEU 28 -1.658 9.184 -31.005 222 HB2 LEU 28 2HB LEU 28 -3.426 7.611 -30.611 223 HB3 LEU 28 3HB LEU 28 -3.062 7.567 -28.887 224 HG LEU 28 HG LEU 28 -3.649 10.144 -29.068 225 HD11 LEU 28 1HD1 LEU 28 -4.757 8.922 -31.532 226 HD12 LEU 28 2HD1 LEU 28 -4.177 10.561 -31.239 227 HD13 LEU 28 3HD1 LEU 28 -5.768 10.072 -30.657 228 HD21 LEU 28 3HD2 LEU 28 -5.665 9.644 -28.066 229 HD22 LEU 28 1HD2 LEU 28 -4.766 8.146 -27.826 230 HD23 LEU 28 2HD2 LEU 28 -5.965 8.257 -29.115 231 H GLY 29 H GLY 29 -0.390 8.147 -27.929 232 HA2 GLY 29 2HA GLY 29 0.873 9.566 -26.518 233 HA3 GLY 29 3HA GLY 29 0.059 10.953 -27.225 234 H MET 30 H MET 30 -2.546 9.380 -26.859 235 HA MET 30 HA MET 30 -2.830 9.423 -23.964 236 HB2 MET 30 2HB MET 30 -3.253 11.767 -24.939 237 HB3 MET 30 3HB MET 30 -4.719 11.078 -25.622 238 HG2 MET 30 2HG MET 30 -5.305 10.356 -23.265 239 HG3 MET 30 3HG MET 30 -3.990 11.401 -22.731 240 HE1 MET 30 3HE MET 30 -4.145 14.016 -24.555 241 HE2 MET 30 1HE MET 30 -5.168 14.940 -23.455 242 HE3 MET 30 2HE MET 30 -3.927 13.866 -22.811 243 H PHE 31 H PHE 31 -2.940 7.136 -25.141 244 HA PHE 31 HA PHE 31 -5.763 6.570 -25.754 245 HB2 PHE 31 2HB PHE 31 -3.942 6.000 -27.460 246 HB3 PHE 31 3HB PHE 31 -3.441 4.738 -26.339 247 HD1 PHE 31 HD1 PHE 31 -6.722 5.968 -27.632 248 HD2 PHE 31 HD2 PHE 31 -4.120 2.659 -27.004 249 HE1 PHE 31 HE1 PHE 31 -8.417 4.458 -28.582 250 HE2 PHE 31 HE2 PHE 31 -5.810 1.145 -27.955 251 HZ PHE 31 HZ PHE 31 -7.962 2.044 -28.746 252 H HIS 32 H HIS 32 -6.891 5.648 -24.187 253 HA HIS 32 HA HIS 32 -5.999 3.391 -22.736 254 HB2 HIS 32 2HB HIS 32 -6.138 4.540 -20.449 255 HB3 HIS 32 3HB HIS 32 -4.672 4.798 -21.390 256 HD1 HIS 32 HD1 HIS 32 -3.951 7.154 -21.503 257 HD2 HIS 32 HD2 HIS 32 -8.047 6.827 -20.893 258 HE1 HIS 32 HE1 HIS 32 -4.784 9.514 -21.253 259 H HIS 33 H HIS 33 -8.231 3.909 -24.265 260 HA HIS 33 HA HIS 33 -10.329 3.375 -22.343 261 HB2 HIS 33 2HB HIS 33 -11.816 5.111 -23.022 262 HB3 HIS 33 3HB HIS 33 -10.278 5.885 -22.652 263 HD1 HIS 33 HD1 HIS 33 -12.804 6.390 -24.891 264 HD2 HIS 33 HD2 HIS 33 -8.737 5.742 -25.439 265 HE1 HIS 33 HE1 HIS 33 -12.274 7.330 -27.163 266 HA PRO 34 HA PRO 34 -11.737 0.676 -25.505 267 HB2 PRO 34 2HB PRO 34 -14.395 0.583 -24.964 268 HB3 PRO 34 3HB PRO 34 -13.180 -0.199 -23.946 269 HG2 PRO 34 2HG PRO 34 -14.566 2.426 -23.564 270 HG3 PRO 34 3HG PRO 34 -14.213 1.163 -22.370 271 HD2 PRO 34 2HD PRO 34 -12.712 3.405 -22.607 272 HD3 PRO 34 3HD PRO 34 -12.026 1.844 -22.111 273 H VAL 35 H VAL 35 -12.652 0.654 -27.540 274 HA VAL 35 HA VAL 35 -13.142 3.180 -28.762 275 HB VAL 35 HB VAL 35 -12.082 1.319 -29.978 276 HG11 VAL 35 1HG1 VAL 35 -14.407 -0.141 -30.754 277 HG12 VAL 35 2HG1 VAL 35 -12.941 -0.728 -29.968 278 HG13 VAL 35 3HG1 VAL 35 -14.290 -0.142 -28.995 279 HG21 VAL 35 3HG2 VAL 35 -13.123 3.102 -31.248 280 HG22 VAL 35 1HG2 VAL 35 -13.352 1.562 -32.076 281 HG23 VAL 35 2HG2 VAL 35 -14.682 2.282 -31.170 282 H SER 36 H SER 36 -15.032 4.031 -29.596 283 HA SER 36 HA SER 36 -17.442 3.278 -28.219 284 HB2 SER 36 2HB SER 36 -18.342 5.163 -29.856 285 HB3 SER 36 3HB SER 36 -17.374 5.570 -28.439 286 HG SER 36 HG SER 36 -16.711 5.658 -31.141 287 H ALA 37 H ALA 37 -19.272 2.359 -29.050 288 HA ALA 37 HA ALA 37 -19.037 0.537 -31.155 289 HB1 ALA 37 1HB ALA 37 -20.802 0.843 -29.172 290 HB2 ALA 37 2HB ALA 37 -21.749 1.517 -30.499 291 HB3 ALA 37 3HB ALA 37 -21.131 -0.131 -30.606 292 H GLU 38 H GLU 38 -20.095 3.872 -31.109 293 HA GLU 38 HA GLU 38 -21.479 4.077 -33.482 294 HB2 GLU 38 2HB GLU 38 -20.777 6.420 -33.546 295 HB3 GLU 38 3HB GLU 38 -21.219 5.938 -31.914 296 HG2 GLU 38 2HG GLU 38 -19.309 6.975 -31.372 297 HG3 GLU 38 3HG GLU 38 -18.579 5.443 -31.845 298 H GLU 39 H GLU 39 -17.993 3.957 -32.969 299 HA GLU 39 HA GLU 39 -17.492 4.230 -35.827 300 HB2 GLU 39 2HB GLU 39 -16.090 5.300 -33.929 301 HB3 GLU 39 3HB GLU 39 -15.390 3.697 -33.748 302 HG2 GLU 39 2HG GLU 39 -14.568 3.738 -35.999 303 HG3 GLU 39 3HG GLU 39 -15.403 5.257 -36.320 304 H LEU 40 H LEU 40 -17.394 1.820 -33.283 305 HA LEU 40 HA LEU 40 -16.834 -0.224 -35.328 306 HB2 LEU 40 2HB LEU 40 -15.031 0.331 -33.514 307 HB3 LEU 40 3HB LEU 40 -16.071 -0.638 -32.473 308 HG LEU 40 HG LEU 40 -15.790 -2.549 -33.984 309 HD11 LEU 40 1HD1 LEU 40 -13.667 -2.071 -35.570 310 HD12 LEU 40 2HD1 LEU 40 -14.468 -0.502 -35.636 311 HD13 LEU 40 3HD1 LEU 40 -15.342 -1.959 -36.109 312 HD21 LEU 40 3HD2 LEU 40 -12.989 -2.035 -33.647 313 HD22 LEU 40 1HD2 LEU 40 -14.041 -3.128 -32.747 314 HD23 LEU 40 2HD2 LEU 40 -13.885 -1.444 -32.247 315 HA PRO 41 HA PRO 41 -20.932 -1.084 -33.362 316 HB2 PRO 41 2HB PRO 41 -22.150 -1.780 -35.687 317 HB3 PRO 41 3HB PRO 41 -22.035 -0.108 -35.125 318 HG2 PRO 41 2HG PRO 41 -20.356 -1.548 -37.142 319 HG3 PRO 41 3HG PRO 41 -21.023 0.094 -37.209 320 HD2 PRO 41 2HD PRO 41 -18.445 -0.406 -36.548 321 HD3 PRO 41 3HD PRO 41 -19.356 0.960 -35.873 322 H ASP 42 H ASP 42 -18.764 -2.833 -35.434 323 HA ASP 42 HA ASP 42 -20.014 -5.379 -34.657 324 HB2 ASP 42 2HB ASP 42 -19.012 -6.385 -36.550 325 HB3 ASP 42 3HB ASP 42 -19.620 -4.833 -37.118 326 H TYR 43 H TYR 43 -18.015 -3.508 -33.221 327 HA TYR 43 HA TYR 43 -15.515 -4.652 -33.000 328 HB2 TYR 43 2HB TYR 43 -15.290 -3.521 -30.929 329 HB3 TYR 43 3HB TYR 43 -16.377 -2.528 -31.895 330 HD1 TYR 43 HD1 TYR 43 -18.959 -3.157 -31.559 331 HD2 TYR 43 HD2 TYR 43 -15.867 -3.891 -28.730 332 HE1 TYR 43 HE1 TYR 43 -20.632 -3.232 -29.759 333 HE2 TYR 43 HE2 TYR 43 -17.532 -3.969 -26.922 334 HH TYR 43 HH TYR 43 -20.436 -2.759 -27.044 335 H HIS 44 H HIS 44 -18.552 -5.693 -31.594 336 HA HIS 44 HA HIS 44 -17.480 -7.577 -29.772 337 HB2 HIS 44 2HB HIS 44 -19.987 -6.578 -30.294 338 HB3 HIS 44 3HB HIS 44 -20.117 -8.235 -30.876 339 HD1 HIS 44 HD1 HIS 44 -21.062 -9.684 -29.127 340 HD2 HIS 44 HD2 HIS 44 -18.613 -6.740 -27.516 341 HE1 HIS 44 HE1 HIS 44 -21.074 -10.084 -26.644 342 H THR 45 H THR 45 -18.447 -7.761 -33.150 343 HA THR 45 HA THR 45 -17.969 -10.621 -33.266 344 HB THR 45 HB THR 45 -18.280 -9.162 -35.807 345 HG1 THR 45 HG1 THR 45 -20.441 -8.636 -35.420 346 HG21 THR 45 3HG2 THR 45 -19.841 -10.948 -36.271 347 HG22 THR 45 1HG2 THR 45 -19.829 -11.445 -34.580 348 HG23 THR 45 2HG2 THR 45 -18.377 -11.630 -35.564 349 H VAL 46 H VAL 46 -16.119 -7.824 -33.489 350 HA VAL 46 HA VAL 46 -14.162 -8.982 -35.325 351 HB VAL 46 HB VAL 46 -14.167 -6.283 -33.966 352 HG11 VAL 46 1HG1 VAL 46 -11.967 -6.456 -34.469 353 HG12 VAL 46 2HG1 VAL 46 -12.234 -7.683 -35.709 354 HG13 VAL 46 3HG1 VAL 46 -12.535 -5.983 -36.070 355 HG21 VAL 46 3HG2 VAL 46 -15.518 -5.554 -35.574 356 HG22 VAL 46 1HG2 VAL 46 -14.448 -6.202 -36.817 357 HG23 VAL 46 2HG2 VAL 46 -15.709 -7.220 -36.122 358 H ILE 47 H ILE 47 -14.248 -7.615 -32.034 359 HA ILE 47 HA ILE 47 -11.890 -9.266 -31.394 360 HB ILE 47 HB ILE 47 -11.480 -7.579 -29.550 361 HG12 ILE 47 2HG1 ILE 47 -13.405 -5.939 -31.213 362 HG13 ILE 47 3HG1 ILE 47 -13.713 -6.541 -29.587 363 HG21 ILE 47 1HG2 ILE 47 -10.080 -7.640 -31.506 364 HG22 ILE 47 2HG2 ILE 47 -11.260 -6.709 -32.427 365 HG23 ILE 47 3HG2 ILE 47 -10.400 -5.958 -31.083 366 HD11 ILE 47 3HD1 ILE 47 -11.783 -5.190 -28.797 367 HD12 ILE 47 1HD1 ILE 47 -11.669 -4.498 -30.415 368 HD13 ILE 47 2HD1 ILE 47 -13.120 -4.239 -29.444 369 H LYS 48 H LYS 48 -15.063 -8.192 -30.402 370 HA LYS 48 HA LYS 48 -16.579 -9.156 -28.989 371 HB2 LYS 48 2HB LYS 48 -14.970 -11.274 -29.638 372 HB3 LYS 48 3HB LYS 48 -14.804 -11.225 -27.888 373 HG2 LYS 48 2HG LYS 48 -17.006 -11.742 -27.523 374 HG3 LYS 48 3HG LYS 48 -17.529 -11.089 -29.078 375 HD2 LYS 48 2HD LYS 48 -15.740 -13.484 -28.990 376 HD3 LYS 48 3HD LYS 48 -17.472 -13.669 -28.703 377 HE2 LYS 48 2HE LYS 48 -16.668 -12.063 -31.055 378 HE3 LYS 48 3HE LYS 48 -16.367 -13.798 -31.139 379 HZ1 LYS 48 3HZ LYS 48 -18.707 -14.177 -30.622 380 HZ2 LYS 48 1HZ LYS 48 -18.532 -13.260 -32.033 381 HZ3 LYS 48 2HZ LYS 48 -18.986 -12.509 -30.587 382 H ARG 49 H ARG 49 -13.354 -9.574 -27.513 383 HA ARG 49 HA ARG 49 -14.380 -8.244 -25.100 384 HB2 ARG 49 2HB ARG 49 -13.187 -10.631 -25.212 385 HB3 ARG 49 3HB ARG 49 -11.747 -9.628 -25.095 386 HG2 ARG 49 2HG ARG 49 -12.966 -8.543 -23.084 387 HG3 ARG 49 3HG ARG 49 -13.950 -10.008 -23.117 388 HD2 ARG 49 2HD ARG 49 -11.168 -10.679 -23.346 389 HD3 ARG 49 3HD ARG 49 -11.427 -9.653 -21.936 390 HE ARG 49 HE ARG 49 -12.270 -12.368 -22.272 391 HH11 ARG 49 1HH1 ARG 49 -12.984 -9.357 -20.678 392 HH12 ARG 49 2HH1 ARG 49 -13.824 -10.103 -19.359 393 HH21 ARG 49 1HH2 ARG 49 -13.373 -13.363 -20.541 394 HH22 ARG 49 2HH2 ARG 49 -14.044 -12.382 -19.282 395 HA PRO 50 HA PRO 50 -11.803 -4.912 -26.819 396 HB2 PRO 50 2HB PRO 50 -13.083 -2.943 -25.457 397 HB3 PRO 50 3HB PRO 50 -13.696 -3.618 -26.972 398 HG2 PRO 50 2HG PRO 50 -14.506 -4.238 -24.157 399 HG3 PRO 50 3HG PRO 50 -15.525 -4.001 -25.589 400 HD2 PRO 50 2HD PRO 50 -14.906 -6.457 -24.633 401 HD3 PRO 50 3HD PRO 50 -15.158 -6.141 -26.362 402 H VAL 51 H VAL 51 -11.032 -2.831 -25.377 403 HA VAL 51 HA VAL 51 -10.025 -3.857 -22.813 404 HB VAL 51 HB VAL 51 -8.215 -4.181 -24.381 405 HG11 VAL 51 1HG1 VAL 51 -8.326 -1.235 -24.998 406 HG12 VAL 51 2HG1 VAL 51 -7.304 -2.461 -25.752 407 HG13 VAL 51 3HG1 VAL 51 -9.047 -2.475 -26.024 408 HG21 VAL 51 3HG2 VAL 51 -6.559 -3.259 -23.096 409 HG22 VAL 51 1HG2 VAL 51 -7.360 -1.691 -22.995 410 HG23 VAL 51 2HG2 VAL 51 -7.937 -3.041 -22.017 411 H ASP 52 H ASP 52 -10.091 -2.428 -21.181 412 HA ASP 52 HA ASP 52 -10.336 0.427 -21.785 413 HB2 ASP 52 2HB ASP 52 -12.147 0.544 -19.991 414 HB3 ASP 52 3HB ASP 52 -12.618 -0.146 -21.542 415 H LEU 53 H LEU 53 -9.823 1.817 -20.002 416 HA LEU 53 HA LEU 53 -7.626 0.917 -18.477 417 HB2 LEU 53 2HB LEU 53 -8.759 3.366 -19.150 418 HB3 LEU 53 3HB LEU 53 -8.885 3.287 -17.394 419 HG LEU 53 HG LEU 53 -6.365 3.117 -19.042 420 HD11 LEU 53 1HD1 LEU 53 -7.700 5.338 -18.379 421 HD12 LEU 53 2HD1 LEU 53 -5.940 5.259 -18.462 422 HD13 LEU 53 3HD1 LEU 53 -6.757 5.118 -16.905 423 HD21 LEU 53 3HD2 LEU 53 -6.264 1.595 -17.124 424 HD22 LEU 53 1HD2 LEU 53 -6.707 2.923 -16.051 425 HD23 LEU 53 2HD2 LEU 53 -5.175 2.969 -16.925 426 H SER 54 H SER 54 -11.003 1.566 -17.633 427 HA SER 54 HA SER 54 -10.817 1.196 -14.874 428 HB2 SER 54 2HB SER 54 -12.993 1.102 -16.885 429 HB3 SER 54 3HB SER 54 -13.316 0.287 -15.355 430 HG SER 54 HG SER 54 -12.189 2.830 -15.230 431 H SER 55 H SER 55 -11.162 -1.136 -17.485 432 HA SER 55 HA SER 55 -11.769 -3.404 -15.963 433 HB2 SER 55 2HB SER 55 -10.666 -2.893 -18.669 434 HB3 SER 55 3HB SER 55 -10.373 -4.496 -17.995 435 HG SER 55 HG SER 55 -12.540 -4.841 -17.862 436 H ILE 56 H ILE 56 -8.645 -2.026 -16.907 437 HA ILE 56 HA ILE 56 -7.050 -4.071 -15.782 438 HB ILE 56 HB ILE 56 -6.391 -1.182 -16.363 439 HG12 ILE 56 2HG1 ILE 56 -5.292 -3.462 -17.925 440 HG13 ILE 56 3HG1 ILE 56 -6.991 -3.070 -18.166 441 HG21 ILE 56 1HG2 ILE 56 -4.580 -3.468 -15.602 442 HG22 ILE 56 2HG2 ILE 56 -4.026 -1.921 -16.238 443 HG23 ILE 56 3HG2 ILE 56 -4.864 -1.987 -14.688 444 HD11 ILE 56 3HD1 ILE 56 -4.564 -1.491 -18.831 445 HD12 ILE 56 1HD1 ILE 56 -6.014 -1.796 -19.787 446 HD13 ILE 56 2HD1 ILE 56 -6.062 -0.640 -18.456 447 H ARG 57 H ARG 57 -8.060 -0.896 -14.541 448 HA ARG 57 HA ARG 57 -6.721 -1.087 -12.070 449 HB2 ARG 57 2HB ARG 57 -7.526 1.044 -12.925 450 HB3 ARG 57 3HB ARG 57 -9.190 0.482 -12.829 451 HG2 ARG 57 2HG ARG 57 -8.749 1.936 -10.980 452 HG3 ARG 57 3HG ARG 57 -8.936 0.289 -10.375 453 HD2 ARG 57 2HD ARG 57 -6.682 0.066 -9.906 454 HD3 ARG 57 3HD ARG 57 -6.217 1.330 -11.044 455 HE ARG 57 HE ARG 57 -6.883 1.664 -8.293 456 HH11 ARG 57 1HH1 ARG 57 -7.010 3.206 -11.412 457 HH12 ARG 57 2HH1 ARG 57 -7.011 4.812 -10.763 458 HH21 ARG 57 1HH2 ARG 57 -6.884 3.774 -7.426 459 HH22 ARG 57 2HH2 ARG 57 -6.939 5.134 -8.496 460 H ASP 58 H ASP 58 -9.959 -2.046 -13.095 461 HA ASP 58 HA ASP 58 -10.847 -2.786 -10.486 462 HB2 ASP 58 2HB ASP 58 -12.425 -2.197 -12.277 463 HB3 ASP 58 3HB ASP 58 -11.906 -3.605 -13.201 464 H GLY 59 H GLY 59 -9.346 -4.493 -13.178 465 HA2 GLY 59 2HA GLY 59 -9.704 -7.115 -12.186 466 HA3 GLY 59 3HA GLY 59 -8.490 -6.617 -13.355 467 H ILE 60 H ILE 60 -6.980 -4.853 -11.886 468 HA ILE 60 HA ILE 60 -5.336 -6.614 -10.402 469 HB ILE 60 HB ILE 60 -5.301 -3.599 -10.559 470 HG12 ILE 60 2HG1 ILE 60 -4.898 -4.665 -12.709 471 HG13 ILE 60 3HG1 ILE 60 -3.395 -3.985 -12.095 472 HG21 ILE 60 1HG2 ILE 60 -2.752 -4.537 -9.926 473 HG22 ILE 60 2HG2 ILE 60 -3.854 -3.649 -8.874 474 HG23 ILE 60 3HG2 ILE 60 -3.848 -5.413 -8.857 475 HD11 ILE 60 3HD1 ILE 60 -2.445 -5.951 -12.413 476 HD12 ILE 60 1HD1 ILE 60 -3.488 -6.622 -11.161 477 HD13 ILE 60 2HD1 ILE 60 -3.993 -6.674 -12.850 478 H GLU 61 H GLU 61 -7.626 -4.088 -9.457 479 HA GLU 61 HA GLU 61 -7.085 -4.190 -6.684 480 HB2 GLU 61 2HB GLU 61 -9.245 -3.075 -8.397 481 HB3 GLU 61 3HB GLU 61 -9.601 -3.295 -6.690 482 HG2 GLU 61 2HG GLU 61 -7.063 -1.941 -7.380 483 HG3 GLU 61 3HG GLU 61 -8.561 -1.057 -7.664 484 H LYS 62 H LYS 62 -9.185 -6.036 -8.786 485 HA LYS 62 HA LYS 62 -10.536 -7.344 -6.587 486 HB2 LYS 62 2HB LYS 62 -10.623 -7.775 -9.575 487 HB3 LYS 62 3HB LYS 62 -11.571 -8.712 -8.427 488 HG2 LYS 62 2HG LYS 62 -11.736 -5.719 -8.554 489 HG3 LYS 62 3HG LYS 62 -12.721 -6.762 -9.583 490 HD2 LYS 62 2HD LYS 62 -13.775 -7.760 -7.692 491 HD3 LYS 62 3HD LYS 62 -12.639 -6.995 -6.579 492 HE2 LYS 62 2HE LYS 62 -13.817 -4.931 -8.098 493 HE3 LYS 62 3HE LYS 62 -15.124 -6.002 -7.596 494 HZ1 LYS 62 3HZ LYS 62 -14.038 -4.049 -6.077 495 HZ2 LYS 62 1HZ LYS 62 -13.237 -5.425 -5.503 496 HZ3 LYS 62 2HZ LYS 62 -14.927 -5.360 -5.482 497 H GLY 63 H GLY 63 -7.791 -7.897 -8.634 498 HA2 GLY 63 2HA GLY 63 -6.059 -9.410 -8.129 499 HA3 GLY 63 3HA GLY 63 -7.169 -10.301 -7.097 500 H THR 64 H THR 64 -8.043 -9.369 -10.340 501 HA THR 64 HA THR 64 -9.003 -11.748 -11.208 502 HB THR 64 HB THR 64 -7.457 -9.781 -12.908 503 HG1 THR 64 HG1 THR 64 -9.814 -9.234 -13.374 504 HG21 THR 64 3HG2 THR 64 -7.671 -11.550 -14.351 505 HG22 THR 64 1HG2 THR 64 -9.227 -10.762 -14.611 506 HG23 THR 64 2HG2 THR 64 -9.116 -12.169 -13.553 507 H TYR 65 H TYR 65 -5.620 -10.700 -11.404 508 HA TYR 65 HA TYR 65 -4.651 -12.962 -12.773 509 HB2 TYR 65 2HB TYR 65 -3.290 -10.981 -10.946 510 HB3 TYR 65 3HB TYR 65 -2.421 -12.252 -11.799 511 HD1 TYR 65 HD2 TYR 65 -3.827 -12.218 -14.413 512 HD2 TYR 65 HD1 TYR 65 -2.509 -9.015 -11.940 513 HE1 TYR 65 HE2 TYR 65 -3.647 -10.770 -16.393 514 HE2 TYR 65 HE1 TYR 65 -2.327 -7.559 -13.914 515 HH TYR 65 HH TYR 65 -2.604 -8.788 -17.137 516 H ALA 66 H ALA 66 -4.915 -14.973 -12.055 517 HA ALA 66 HA ALA 66 -4.823 -15.546 -9.200 518 HB1 ALA 66 1HB ALA 66 -6.532 -16.492 -10.900 519 HB2 ALA 66 2HB ALA 66 -5.241 -17.621 -11.314 520 HB3 ALA 66 3HB ALA 66 -5.865 -17.561 -9.665 521 H THR 67 H THR 67 -2.992 -16.151 -12.133 522 HA THR 67 HA THR 67 -0.623 -16.728 -10.639 523 HB THR 67 HB THR 67 -0.772 -19.006 -12.321 524 HG1 THR 67 HG1 THR 67 -3.043 -18.868 -12.168 525 HG21 THR 67 3HG2 THR 67 -0.678 -20.184 -10.067 526 HG22 THR 67 1HG2 THR 67 -0.735 -18.578 -9.341 527 HG23 THR 67 2HG2 THR 67 0.604 -19.020 -10.401 528 H ASP 68 H ASP 68 1.025 -17.810 -12.408 529 HA ASP 68 HA ASP 68 1.547 -15.764 -14.242 530 HB2 ASP 68 2HB ASP 68 3.186 -17.382 -15.239 531 HB3 ASP 68 3HB ASP 68 3.340 -17.177 -13.496 532 H VAL 69 H VAL 69 -0.167 -18.813 -14.604 533 HA VAL 69 HA VAL 69 -0.364 -18.811 -17.416 534 HB VAL 69 HB VAL 69 -2.205 -20.040 -15.360 535 HG11 VAL 69 1HG1 VAL 69 -2.298 -21.480 -17.767 536 HG12 VAL 69 2HG1 VAL 69 -3.584 -20.519 -17.035 537 HG13 VAL 69 3HG1 VAL 69 -2.487 -19.782 -18.203 538 HG21 VAL 69 3HG2 VAL 69 -0.154 -21.087 -15.073 539 HG22 VAL 69 1HG2 VAL 69 -0.963 -22.137 -16.236 540 HG23 VAL 69 2HG2 VAL 69 0.253 -20.984 -16.786 541 H ASP 70 H ASP 70 -2.644 -17.701 -14.918 542 HA ASP 70 HA ASP 70 -4.642 -16.792 -16.659 543 HB2 ASP 70 2HB ASP 70 -4.550 -17.064 -14.019 544 HB3 ASP 70 3HB ASP 70 -4.164 -15.346 -14.093 545 H VAL 71 H VAL 71 -1.774 -15.195 -15.372 546 HA VAL 71 HA VAL 71 -2.372 -12.597 -16.309 547 HB VAL 71 HB VAL 71 0.288 -13.888 -15.694 548 HG11 VAL 71 1HG1 VAL 71 -0.415 -11.067 -16.440 549 HG12 VAL 71 2HG1 VAL 71 1.021 -11.447 -15.488 550 HG13 VAL 71 3HG1 VAL 71 0.839 -12.108 -17.113 551 HG21 VAL 71 3HG2 VAL 71 0.079 -13.113 -13.550 552 HG22 VAL 71 1HG2 VAL 71 -0.982 -11.784 -14.018 553 HG23 VAL 71 2HG2 VAL 71 -1.616 -13.427 -13.925 554 H GLN 72 H GLN 72 -0.498 -15.264 -17.708 555 HA GLN 72 HA GLN 72 0.379 -13.896 -20.004 556 HB2 GLN 72 2HB GLN 72 1.461 -15.937 -19.400 557 HB3 GLN 72 3HB GLN 72 -0.054 -16.829 -19.451 558 HG2 GLN 72 2HG GLN 72 1.492 -17.209 -21.382 559 HG3 GLN 72 3HG GLN 72 -0.148 -16.723 -21.807 560 HE21 GLN 72 1HE2 GLN 72 0.483 -15.952 -23.813 561 HE22 GLN 72 2HE2 GLN 72 1.380 -14.488 -24.001 562 H ASN 73 H ASN 73 -2.530 -15.786 -19.350 563 HA ASN 73 HA ASN 73 -3.514 -15.753 -22.011 564 HB2 ASN 73 2HB ASN 73 -4.448 -17.423 -20.662 565 HB3 ASN 73 3HB ASN 73 -4.743 -16.313 -19.327 566 HD21 ASN 73 1HD2 ASN 73 -6.863 -16.384 -19.028 567 HD22 ASN 73 2HD2 ASN 73 -8.057 -16.110 -20.246 568 H ASP 74 H ASP 74 -3.959 -13.644 -19.223 569 HA ASP 74 HA ASP 74 -6.016 -12.046 -20.315 570 HB2 ASP 74 2HB ASP 74 -5.147 -12.203 -17.872 571 HB3 ASP 74 3HB ASP 74 -3.980 -10.985 -18.377 572 H VAL 75 H VAL 75 -2.495 -11.549 -20.156 573 HA VAL 75 HA VAL 75 -2.464 -9.107 -21.555 574 HB VAL 75 HB VAL 75 -0.556 -9.849 -20.226 575 HG11 VAL 75 1HG1 VAL 75 0.906 -11.626 -20.947 576 HG12 VAL 75 2HG1 VAL 75 -0.734 -12.255 -20.782 577 HG13 VAL 75 3HG1 VAL 75 -0.080 -11.903 -22.382 578 HG21 VAL 75 3HG2 VAL 75 -0.438 -8.770 -22.860 579 HG22 VAL 75 1HG2 VAL 75 0.625 -8.455 -21.488 580 HG23 VAL 75 2HG2 VAL 75 0.987 -9.776 -22.598 581 H ALA 76 H ALA 76 -2.262 -12.457 -22.639 582 HA ALA 76 HA ALA 76 -1.578 -11.954 -25.321 583 HB1 ALA 76 1HB ALA 76 -2.737 -14.241 -23.826 584 HB2 ALA 76 2HB ALA 76 -2.879 -14.250 -25.585 585 HB3 ALA 76 3HB ALA 76 -1.288 -14.158 -24.829 586 H ARG 77 H ARG 77 -4.747 -12.423 -23.774 587 HA ARG 77 HA ARG 77 -6.278 -12.139 -26.123 588 HB2 ARG 77 2HB ARG 77 -7.019 -11.630 -23.237 589 HB3 ARG 77 3HB ARG 77 -8.170 -11.698 -24.565 590 HG2 ARG 77 2HG ARG 77 -6.411 -14.032 -24.363 591 HG3 ARG 77 3HG ARG 77 -7.491 -13.796 -22.987 592 HD2 ARG 77 2HD ARG 77 -9.331 -14.285 -24.188 593 HD3 ARG 77 3HD ARG 77 -8.742 -13.441 -25.620 594 HE ARG 77 HE ARG 77 -7.322 -15.869 -25.151 595 HH11 ARG 77 1HH1 ARG 77 -10.275 -14.555 -26.445 596 HH12 ARG 77 2HH1 ARG 77 -10.539 -15.876 -27.534 597 HH21 ARG 77 1HH2 ARG 77 -7.658 -17.614 -26.581 598 HH22 ARG 77 2HH2 ARG 77 -9.050 -17.616 -27.610 599 H MET 78 H MET 78 -5.081 -9.810 -23.768 600 HA MET 78 HA MET 78 -6.558 -7.586 -24.691 601 HB2 MET 78 2HB MET 78 -5.155 -7.922 -22.509 602 HB3 MET 78 3HB MET 78 -3.830 -7.300 -23.484 603 HG2 MET 78 2HG MET 78 -4.508 -5.297 -22.795 604 HG3 MET 78 3HG MET 78 -5.794 -5.481 -23.985 605 HE1 MET 78 3HE MET 78 -4.819 -5.702 -20.183 606 HE2 MET 78 1HE MET 78 -6.267 -6.441 -19.496 607 HE3 MET 78 2HE MET 78 -5.239 -7.367 -20.589 608 H ILE 79 H ILE 79 -3.350 -8.837 -25.514 609 HA ILE 79 HA ILE 79 -2.625 -6.722 -27.247 610 HB ILE 79 HB ILE 79 -1.666 -9.586 -27.220 611 HG12 ILE 79 2HG1 ILE 79 -0.081 -7.274 -26.190 612 HG13 ILE 79 3HG1 ILE 79 -1.382 -7.907 -25.188 613 HG21 ILE 79 1HG2 ILE 79 -1.064 -8.764 -29.323 614 HG22 ILE 79 2HG2 ILE 79 -0.716 -7.154 -28.695 615 HG23 ILE 79 3HG2 ILE 79 0.369 -8.496 -28.331 616 HD11 ILE 79 3HD1 ILE 79 0.773 -8.887 -24.615 617 HD12 ILE 79 1HD1 ILE 79 -0.353 -10.104 -25.215 618 HD13 ILE 79 2HD1 ILE 79 0.933 -9.501 -26.260 619 H THR 80 H THR 80 -4.294 -9.785 -27.754 620 HA THR 80 HA THR 80 -4.313 -9.686 -30.586 621 HB THR 80 HB THR 80 -6.241 -11.103 -28.735 622 HG1 THR 80 HG1 THR 80 -3.905 -11.635 -28.619 623 HG21 THR 80 3HG2 THR 80 -6.033 -12.582 -31.036 624 HG22 THR 80 1HG2 THR 80 -6.020 -10.928 -31.647 625 HG23 THR 80 2HG2 THR 80 -7.359 -11.488 -30.644 626 H ASN 81 H ASN 81 -6.712 -8.740 -28.140 627 HA ASN 81 HA ASN 81 -8.682 -7.884 -29.973 628 HB2 ASN 81 2HB ASN 81 -9.909 -7.427 -28.130 629 HB3 ASN 81 3HB ASN 81 -8.609 -8.249 -27.272 630 HD21 ASN 81 1HD2 ASN 81 -9.941 -5.149 -28.167 631 HD22 ASN 81 2HD2 ASN 81 -9.115 -4.227 -26.962 632 H ALA 82 H ALA 82 -5.953 -6.266 -28.465 633 HA ALA 82 HA ALA 82 -6.671 -3.635 -29.291 634 HB1 ALA 82 1HB ALA 82 -4.240 -3.146 -28.766 635 HB2 ALA 82 2HB ALA 82 -5.216 -3.786 -27.443 636 HB3 ALA 82 3HB ALA 82 -4.101 -4.844 -28.308 637 H LEU 83 H LEU 83 -4.676 -6.198 -30.659 638 HA LEU 83 HA LEU 83 -3.580 -4.642 -32.766 639 HB2 LEU 83 2HB LEU 83 -2.300 -6.454 -32.790 640 HB3 LEU 83 3HB LEU 83 -3.480 -7.369 -31.853 641 HG LEU 83 HG LEU 83 -4.680 -7.797 -34.047 642 HD11 LEU 83 1HD1 LEU 83 -2.650 -6.036 -34.980 643 HD12 LEU 83 2HD1 LEU 83 -3.964 -6.790 -35.884 644 HD13 LEU 83 3HD1 LEU 83 -2.414 -7.616 -35.727 645 HD21 LEU 83 3HD2 LEU 83 -3.084 -9.350 -32.772 646 HD22 LEU 83 1HD2 LEU 83 -1.907 -8.938 -34.020 647 HD23 LEU 83 2HD2 LEU 83 -3.425 -9.719 -34.464 648 H GLU 84 H GLU 84 -6.446 -6.670 -32.461 649 HA GLU 84 HA GLU 84 -7.174 -6.698 -35.181 650 HB2 GLU 84 2HB GLU 84 -8.341 -7.499 -32.655 651 HB3 GLU 84 3HB GLU 84 -9.552 -6.782 -33.708 652 HG2 GLU 84 2HG GLU 84 -9.473 -9.178 -34.008 653 HG3 GLU 84 3HG GLU 84 -8.952 -8.354 -35.477 654 H TYR 85 H TYR 85 -7.860 -4.439 -32.567 655 HA TYR 85 HA TYR 85 -9.575 -2.820 -34.256 656 HB2 TYR 85 2HB TYR 85 -10.245 -2.969 -31.967 657 HB3 TYR 85 3HB TYR 85 -8.636 -2.534 -31.401 658 HD1 TYR 85 HD2 TYR 85 -10.999 -1.017 -33.874 659 HD2 TYR 85 HD1 TYR 85 -8.666 -0.481 -30.356 660 HE1 TYR 85 HE2 TYR 85 -11.673 1.347 -33.794 661 HE2 TYR 85 HE1 TYR 85 -9.335 1.884 -30.266 662 HH TYR 85 HH TYR 85 -10.290 3.574 -31.447 663 H ASN 86 H ASN 86 -6.264 -3.006 -33.390 664 HA ASN 86 HA ASN 86 -5.604 -0.260 -33.844 665 HB2 ASN 86 2HB ASN 86 -4.128 -2.766 -33.286 666 HB3 ASN 86 3HB ASN 86 -3.239 -1.530 -34.171 667 HD21 ASN 86 1HD2 ASN 86 -4.036 0.778 -33.122 668 HD22 ASN 86 2HD2 ASN 86 -3.675 0.858 -31.434 669 H ALA 87 H ALA 87 -6.205 -2.956 -35.857 670 HA ALA 87 HA ALA 87 -4.590 -2.248 -38.079 671 HB1 ALA 87 1HB ALA 87 -5.515 -4.499 -37.760 672 HB2 ALA 87 2HB ALA 87 -7.137 -3.863 -38.039 673 HB3 ALA 87 3HB ALA 87 -5.940 -3.827 -39.334 674 H LYS 88 H LYS 88 -4.821 -0.117 -38.649 675 HA LYS 88 HA LYS 88 -7.226 0.540 -40.128 676 HB2 LYS 88 2HB LYS 88 -7.762 1.314 -37.859 677 HB3 LYS 88 3HB LYS 88 -6.284 2.267 -37.831 678 HG2 LYS 88 2HG LYS 88 -7.653 3.927 -38.463 679 HG3 LYS 88 3HG LYS 88 -7.430 3.232 -40.070 680 HD2 LYS 88 2HD LYS 88 -9.476 1.975 -39.862 681 HD3 LYS 88 3HD LYS 88 -9.669 2.496 -38.187 682 HE2 LYS 88 2HE LYS 88 -9.396 4.641 -40.195 683 HE3 LYS 88 3HE LYS 88 -10.878 3.690 -40.276 684 HZ1 LYS 88 3HZ LYS 88 -10.547 5.805 -38.683 685 HZ2 LYS 88 1HZ LYS 88 -10.112 4.561 -37.622 686 HZ3 LYS 88 2HZ LYS 88 -11.633 4.549 -38.362 687 H GLY 89 H GLY 89 -5.353 0.188 -41.665 688 HA2 GLY 89 2HA GLY 89 -4.653 2.231 -43.157 689 HA3 GLY 89 3HA GLY 89 -3.539 2.483 -41.821 690 H SER 90 H SER 90 -1.880 0.952 -41.443 691 HA SER 90 HA SER 90 -1.457 -1.384 -42.915 692 HB2 SER 90 2HB SER 90 0.391 -0.521 -44.432 693 HB3 SER 90 3HB SER 90 -1.252 -0.093 -44.909 694 HG SER 90 HG SER 90 0.459 1.623 -44.866 695 H THR 91 H THR 91 0.536 1.431 -41.997 696 HA THR 91 HA THR 91 2.663 -0.106 -40.961 697 HB THR 91 HB THR 91 2.003 2.710 -40.103 698 HG1 THR 91 HG1 THR 91 2.952 1.715 -42.557 699 HG21 THR 91 3HG2 THR 91 3.868 2.255 -38.904 700 HG22 THR 91 1HG2 THR 91 4.682 2.593 -40.431 701 HG23 THR 91 2HG2 THR 91 4.350 0.926 -39.959 702 H TRP 92 H TRP 92 -0.321 1.031 -39.576 703 HA TRP 92 HA TRP 92 0.364 0.792 -36.848 704 HB2 TRP 92 2HB TRP 92 -1.991 1.360 -38.392 705 HB3 TRP 92 3HB TRP 92 -2.384 0.192 -37.134 706 HD1 TRP 92 HD1 TRP 92 -3.609 1.666 -35.400 707 HE1 TRP 92 HE1 TRP 92 -2.992 3.761 -34.038 708 HE3 TRP 92 HE3 TRP 92 0.822 2.832 -37.668 709 HZ2 TRP 92 HZ2 TRP 92 -0.903 5.657 -33.938 710 HZ3 TRP 92 HZ3 TRP 92 2.067 4.803 -36.880 711 HH2 TRP 92 HH2 TRP 92 1.221 6.185 -35.054 712 H TYR 93 H TYR 93 -0.944 -1.499 -39.192 713 HA TYR 93 HA TYR 93 -1.495 -3.584 -37.374 714 HB2 TYR 93 2HB TYR 93 -2.439 -3.564 -39.622 715 HB3 TYR 93 3HB TYR 93 -0.831 -3.703 -40.324 716 HD1 TYR 93 HD2 TYR 93 -3.389 -5.484 -38.335 717 HD2 TYR 93 HD1 TYR 93 0.233 -5.814 -40.543 718 HE1 TYR 93 HE2 TYR 93 -3.582 -7.935 -38.273 719 HE2 TYR 93 HE1 TYR 93 0.049 -8.267 -40.488 720 HH TYR 93 HH TYR 93 -2.352 -9.886 -38.550 721 H GLN 94 H GLN 94 1.381 -2.760 -39.254 722 HA GLN 94 HA GLN 94 2.860 -5.077 -38.533 723 HB2 GLN 94 2HB GLN 94 3.302 -2.647 -40.064 724 HB3 GLN 94 3HB GLN 94 4.717 -3.086 -39.116 725 HG2 GLN 94 2HG GLN 94 4.366 -5.441 -40.108 726 HG3 GLN 94 3HG GLN 94 3.361 -4.613 -41.297 727 HE21 GLN 94 1HE2 GLN 94 4.990 -5.470 -42.783 728 HE22 GLN 94 2HE2 GLN 94 6.433 -4.557 -43.047 729 H GLU 95 H GLU 95 2.563 -1.838 -37.183 730 HA GLU 95 HA GLU 95 4.683 -2.033 -35.328 731 HB2 GLU 95 2HB GLU 95 2.975 -0.045 -36.119 732 HB3 GLU 95 3HB GLU 95 2.386 -0.398 -34.500 733 HG2 GLU 95 2HG GLU 95 5.187 0.392 -35.263 734 HG3 GLU 95 3HG GLU 95 4.001 1.382 -34.415 735 H ALA 96 H ALA 96 1.199 -2.642 -35.018 736 HA ALA 96 HA ALA 96 1.283 -3.361 -32.279 737 HB1 ALA 96 1HB ALA 96 -0.927 -4.638 -33.193 738 HB2 ALA 96 2HB ALA 96 -0.869 -2.930 -32.758 739 HB3 ALA 96 3HB ALA 96 -0.699 -3.416 -34.444 740 H MET 97 H MET 97 1.399 -5.251 -35.274 741 HA MET 97 HA MET 97 1.398 -7.789 -34.006 742 HB2 MET 97 2HB MET 97 0.806 -7.386 -36.398 743 HB3 MET 97 3HB MET 97 2.505 -7.076 -36.726 744 HG2 MET 97 2HG MET 97 3.042 -9.250 -36.707 745 HG3 MET 97 3HG MET 97 1.958 -9.613 -35.367 746 HE1 MET 97 3HE MET 97 1.151 -11.570 -35.871 747 HE2 MET 97 1HE MET 97 -0.544 -11.114 -36.043 748 HE3 MET 97 2HE MET 97 0.229 -12.115 -37.273 749 H SER 98 H SER 98 3.935 -5.561 -34.994 750 HA SER 98 HA SER 98 6.106 -7.340 -34.578 751 HB2 SER 98 2HB SER 98 6.497 -5.433 -35.958 752 HB3 SER 98 3HB SER 98 5.933 -4.327 -34.706 753 HG SER 98 HG SER 98 7.792 -4.543 -33.649 754 H PHE 99 H PHE 99 4.546 -4.897 -32.546 755 HA PHE 99 HA PHE 99 6.331 -5.171 -30.357 756 HB2 PHE 99 2HB PHE 99 3.915 -3.684 -30.969 757 HB3 PHE 99 3HB PHE 99 3.894 -4.290 -29.316 758 HD1 PHE 99 HD1 PHE 99 6.530 -4.092 -28.337 759 HD2 PHE 99 HD2 PHE 99 4.520 -1.479 -31.030 760 HE1 PHE 99 HE1 PHE 99 8.003 -2.248 -27.641 761 HE2 PHE 99 HE2 PHE 99 5.991 0.369 -30.339 762 HZ PHE 99 HZ PHE 99 7.735 -0.014 -28.644 763 H ARG 100 H ARG 100 3.239 -6.661 -31.182 764 HA ARG 100 HA ARG 100 2.698 -7.963 -28.787 765 HB2 ARG 100 2HB ARG 100 1.014 -7.954 -30.457 766 HB3 ARG 100 3HB ARG 100 2.083 -8.689 -31.645 767 HG2 ARG 100 2HG ARG 100 1.571 -10.264 -29.204 768 HG3 ARG 100 3HG ARG 100 0.207 -10.044 -30.303 769 HD2 ARG 100 2HD ARG 100 2.250 -10.659 -32.018 770 HD3 ARG 100 3HD ARG 100 2.634 -11.646 -30.609 771 HE ARG 100 HE ARG 100 -0.096 -11.925 -31.241 772 HH11 ARG 100 1HH1 ARG 100 3.060 -12.803 -32.423 773 HH12 ARG 100 2HH1 ARG 100 2.507 -14.243 -33.212 774 HH21 ARG 100 1HH2 ARG 100 -0.835 -13.819 -32.276 775 HH22 ARG 100 2HH2 ARG 100 0.292 -14.820 -33.128 776 H LYS 101 H LYS 101 5.084 -8.636 -31.197 777 HA LYS 101 HA LYS 101 5.552 -11.362 -30.569 778 HB2 LYS 101 2HB LYS 101 6.493 -9.541 -32.456 779 HB3 LYS 101 3HB LYS 101 7.912 -9.942 -31.497 780 HG2 LYS 101 2HG LYS 101 7.993 -12.066 -32.251 781 HG3 LYS 101 3HG LYS 101 6.237 -12.213 -32.356 782 HD2 LYS 101 2HD LYS 101 6.568 -12.083 -34.573 783 HD3 LYS 101 3HD LYS 101 6.750 -10.352 -34.281 784 HE2 LYS 101 2HE LYS 101 9.110 -10.512 -34.253 785 HE3 LYS 101 3HE LYS 101 9.062 -12.272 -34.155 786 HZ1 LYS 101 3HZ LYS 101 8.634 -12.478 -36.363 787 HZ2 LYS 101 1HZ LYS 101 9.512 -11.032 -36.411 788 HZ3 LYS 101 2HZ LYS 101 7.822 -10.998 -36.478 789 H THR 102 H THR 102 6.455 -8.393 -29.065 790 HA THR 102 HA THR 102 8.285 -9.850 -27.270 791 HB THR 102 HB THR 102 9.559 -8.157 -28.340 792 HG1 THR 102 HG1 THR 102 10.272 -7.160 -26.553 793 HG21 THR 102 3HG2 THR 102 7.267 -6.300 -27.707 794 HG22 THR 102 1HG2 THR 102 7.832 -6.798 -29.302 795 HG23 THR 102 2HG2 THR 102 8.840 -5.760 -28.293 796 H TYR 103 H TYR 103 5.274 -8.412 -27.497 797 HA TYR 103 HA TYR 103 5.017 -7.181 -24.971 798 HB2 TYR 103 2HB TYR 103 3.451 -7.194 -27.109 799 HB3 TYR 103 3HB TYR 103 2.670 -8.515 -26.247 800 HD1 TYR 103 HD1 TYR 103 2.619 -7.770 -23.508 801 HD2 TYR 103 HD2 TYR 103 2.210 -5.262 -26.920 802 HE1 TYR 103 HE1 TYR 103 1.357 -6.148 -22.157 803 HE2 TYR 103 HE2 TYR 103 0.948 -3.632 -25.579 804 HH TYR 103 HH TYR 103 0.964 -3.195 -22.722 805 H LEU 104 H LEU 104 3.979 -10.406 -26.083 806 HA LEU 104 HA LEU 104 3.246 -11.281 -23.474 807 HB2 LEU 104 2HB LEU 104 3.040 -13.492 -24.501 808 HB3 LEU 104 3HB LEU 104 2.221 -12.244 -25.438 809 HG LEU 104 HG LEU 104 4.863 -12.563 -26.463 810 HD11 LEU 104 1HD1 LEU 104 4.973 -14.758 -25.559 811 HD12 LEU 104 2HD1 LEU 104 4.593 -14.921 -27.273 812 HD13 LEU 104 3HD1 LEU 104 3.323 -15.119 -26.067 813 HD21 LEU 104 3HD2 LEU 104 3.743 -12.828 -28.507 814 HD22 LEU 104 1HD2 LEU 104 2.697 -11.777 -27.552 815 HD23 LEU 104 2HD2 LEU 104 2.301 -13.487 -27.731 816 H ASP 105 H ASP 105 6.144 -11.534 -25.438 817 HA ASP 105 HA ASP 105 7.510 -13.474 -23.944 818 HB2 ASP 105 2HB ASP 105 8.385 -11.257 -25.768 819 HB3 ASP 105 3HB ASP 105 9.584 -12.196 -24.882 820 H LEU 106 H LEU 106 7.518 -9.931 -23.679 821 HA LEU 106 HA LEU 106 9.366 -9.768 -21.565 822 HB2 LEU 106 2HB LEU 106 7.432 -7.985 -22.869 823 HB3 LEU 106 3HB LEU 106 7.789 -7.585 -21.190 824 HG LEU 106 HG LEU 106 10.124 -7.306 -21.698 825 HD11 LEU 106 1HD1 LEU 106 9.381 -8.738 -24.143 826 HD12 LEU 106 2HD1 LEU 106 10.922 -8.665 -23.290 827 HD13 LEU 106 3HD1 LEU 106 10.464 -7.369 -24.394 828 HD21 LEU 106 3HD2 LEU 106 9.310 -5.778 -23.979 829 HD22 LEU 106 1HD2 LEU 106 9.705 -5.228 -22.350 830 HD23 LEU 106 2HD2 LEU 106 8.055 -5.714 -22.740 831 H ALA 107 H ALA 107 6.064 -10.701 -21.646 832 HA ALA 107 HA ALA 107 5.895 -10.508 -18.711 833 HB1 ALA 107 1HB ALA 107 4.141 -9.485 -20.484 834 HB2 ALA 107 2HB ALA 107 3.435 -11.081 -20.225 835 HB3 ALA 107 3HB ALA 107 3.704 -10.003 -18.856 836 H ARG 108 H ARG 108 7.388 -12.577 -19.725 837 HA ARG 108 HA ARG 108 6.180 -14.826 -18.549 838 HB2 ARG 108 2HB ARG 108 4.999 -14.553 -20.877 839 HB3 ARG 108 3HB ARG 108 6.484 -15.264 -21.494 840 HG2 ARG 108 2HG ARG 108 5.687 -17.272 -21.031 841 HG3 ARG 108 3HG ARG 108 5.662 -16.852 -19.317 842 HD2 ARG 108 2HD ARG 108 3.420 -15.721 -19.825 843 HD3 ARG 108 3HD ARG 108 3.458 -16.618 -21.342 844 HE ARG 108 HE ARG 108 2.818 -17.648 -18.772 845 HH11 ARG 108 1HH1 ARG 108 4.350 -18.469 -21.789 846 HH12 ARG 108 2HH1 ARG 108 4.042 -20.167 -21.633 847 HH21 ARG 108 1HH2 ARG 108 2.407 -19.882 -18.556 848 HH22 ARG 108 2HH2 ARG 108 2.936 -20.969 -19.794 849 H GLN 109 H GLN 109 8.356 -14.169 -21.302 850 HA GLN 109 HA GLN 109 10.246 -16.141 -20.492 851 HB2 GLN 109 2HB GLN 109 10.802 -13.839 -22.354 852 HB3 GLN 109 3HB GLN 109 11.563 -15.425 -22.333 853 HG2 GLN 109 2HG GLN 109 8.676 -14.927 -23.020 854 HG3 GLN 109 3HG GLN 109 9.976 -15.098 -24.199 855 HE21 GLN 109 1HE2 GLN 109 7.496 -16.688 -22.962 856 HE22 GLN 109 2HE2 GLN 109 8.080 -18.313 -23.018 857 H SER 110 H SER 110 9.938 -12.674 -20.031 858 HA SER 110 HA SER 110 12.469 -12.638 -18.543 859 HB2 SER 110 2HB SER 110 10.841 -10.535 -19.918 860 HB3 SER 110 3HB SER 110 11.897 -10.065 -18.587 861 HG SER 110 HG SER 110 12.620 -11.342 -21.011 862 H GLY 111 H GLY 111 9.140 -12.828 -18.079 863 HA2 GLY 111 2HA GLY 111 9.476 -12.046 -15.253 864 HA3 GLY 111 3HA GLY 111 8.062 -11.540 -16.166 Start of MODEL 13 1 H1 MET 1 H MET 1 2.493 -25.991 -1.388 2 HA MET 1 HA MET 1 2.831 -26.172 -4.289 3 HB2 MET 1 2HB MET 1 0.622 -25.606 -2.834 4 HB3 MET 1 3HB MET 1 1.220 -23.979 -3.131 5 HG2 MET 1 2HG MET 1 -0.073 -24.199 -4.966 6 HG3 MET 1 3HG MET 1 1.405 -24.914 -5.606 7 HE1 MET 1 3HE MET 1 -2.510 -27.052 -4.571 8 HE2 MET 1 1HE MET 1 -1.762 -25.882 -3.484 9 HE3 MET 1 2HE MET 1 -2.330 -25.371 -5.074 10 H SER 2 H SER 2 3.519 -24.061 -1.555 11 HA SER 2 HA SER 2 4.495 -21.860 -3.018 12 HB2 SER 2 2HB SER 2 5.572 -22.587 -0.309 13 HB3 SER 2 3HB SER 2 5.214 -20.992 -0.970 14 HG SER 2 HG SER 2 3.693 -22.221 0.622 15 H LYS 3 H LYS 3 6.956 -21.201 -2.347 16 HA LYS 3 HA LYS 3 8.905 -23.246 -2.497 17 HB2 LYS 3 2HB LYS 3 7.696 -22.776 -4.937 18 HB3 LYS 3 3HB LYS 3 9.141 -21.778 -5.014 19 HG2 LYS 3 2HG LYS 3 10.357 -23.919 -4.201 20 HG3 LYS 3 3HG LYS 3 8.903 -24.743 -4.769 21 HD2 LYS 3 2HD LYS 3 10.211 -22.769 -6.573 22 HD3 LYS 3 3HD LYS 3 10.975 -24.346 -6.359 23 HE2 LYS 3 2HE LYS 3 9.347 -25.430 -7.486 24 HE3 LYS 3 3HE LYS 3 8.071 -24.398 -6.843 25 HZ1 LYS 3 3HZ LYS 3 8.032 -23.503 -8.866 26 HZ2 LYS 3 1HZ LYS 3 9.509 -24.194 -9.315 27 HZ3 LYS 3 2HZ LYS 3 9.483 -22.735 -8.460 28 H ASN 4 H ASN 4 8.086 -19.889 -3.219 29 HA ASN 4 HA ASN 4 10.700 -19.094 -2.112 30 HB2 ASN 4 2HB ASN 4 9.831 -18.572 -4.652 31 HB3 ASN 4 3HB ASN 4 9.315 -17.119 -3.800 32 HD21 ASN 4 1HD2 ASN 4 10.727 -15.574 -4.159 33 HD22 ASN 4 2HD2 ASN 4 12.446 -15.733 -4.107 34 H GLU 5 H GLU 5 10.373 -16.479 -1.668 35 HA GLU 5 HA GLU 5 8.797 -16.408 0.682 36 HB2 GLU 5 2HB GLU 5 10.042 -14.122 -0.857 37 HB3 GLU 5 3HB GLU 5 9.421 -14.030 0.786 38 HG2 GLU 5 2HG GLU 5 11.101 -15.655 1.508 39 HG3 GLU 5 3HG GLU 5 11.729 -15.728 -0.138 40 H ARG 6 H ARG 6 8.319 -15.179 -2.588 41 HA ARG 6 HA ARG 6 5.707 -14.097 -1.839 42 HB2 ARG 6 2HB ARG 6 5.697 -13.023 -4.000 43 HB3 ARG 6 3HB ARG 6 7.246 -12.724 -3.223 44 HG2 ARG 6 2HG ARG 6 7.991 -14.831 -4.589 45 HG3 ARG 6 3HG ARG 6 6.605 -14.402 -5.594 46 HD2 ARG 6 2HD ARG 6 7.562 -12.468 -6.328 47 HD3 ARG 6 3HD ARG 6 8.478 -12.230 -4.841 48 HE ARG 6 HE ARG 6 9.428 -14.485 -6.283 49 HH11 ARG 6 1HH1 ARG 6 9.480 -11.004 -6.233 50 HH12 ARG 6 2HH1 ARG 6 11.008 -10.885 -7.043 51 HH21 ARG 6 1HH2 ARG 6 11.439 -14.342 -7.349 52 HH22 ARG 6 2HH2 ARG 6 12.121 -12.785 -7.678 53 H ASP 7 H ASP 7 3.808 -14.633 -3.063 54 HA ASP 7 HA ASP 7 3.921 -17.337 -4.231 55 HB2 ASP 7 2HB ASP 7 1.971 -16.066 -2.356 56 HB3 ASP 7 3HB ASP 7 1.383 -17.271 -3.498 57 H THR 8 H THR 8 4.164 -14.672 -5.525 58 HA THR 8 HA THR 8 3.375 -13.517 -7.329 59 HB THR 8 HB THR 8 2.727 -14.806 -9.203 60 HG1 THR 8 HG1 THR 8 1.192 -16.220 -8.876 61 HG21 THR 8 3HG2 THR 8 4.386 -16.472 -9.309 62 HG22 THR 8 1HG2 THR 8 4.277 -16.810 -7.582 63 HG23 THR 8 2HG2 THR 8 5.002 -15.303 -8.141 64 H SER 9 H SER 9 1.682 -13.455 -5.016 65 HA SER 9 HA SER 9 -1.019 -13.904 -5.542 66 HB2 SER 9 2HB SER 9 -1.450 -12.221 -3.765 67 HB3 SER 9 3HB SER 9 -0.220 -13.396 -3.298 68 HG SER 9 HG SER 9 1.350 -11.880 -3.622 69 H PHE 10 H PHE 10 0.797 -10.850 -5.847 70 HA PHE 10 HA PHE 10 -1.171 -9.999 -7.867 71 HB2 PHE 10 2HB PHE 10 0.277 -8.079 -6.053 72 HB3 PHE 10 3HB PHE 10 -1.143 -7.780 -7.049 73 HD1 PHE 10 HD2 PHE 10 -2.836 -10.083 -6.348 74 HD2 PHE 10 HD1 PHE 10 -0.412 -7.587 -3.896 75 HE1 PHE 10 HE2 PHE 10 -4.289 -10.569 -4.423 76 HE2 PHE 10 HE1 PHE 10 -1.860 -8.070 -1.966 77 HZ PHE 10 HZ PHE 10 -3.802 -9.562 -2.229 78 H ASN 11 H ASN 11 -0.352 -9.488 -9.790 79 HA ASN 11 HA ASN 11 2.564 -9.226 -10.025 80 HB2 ASN 11 2HB ASN 11 0.457 -10.409 -11.711 81 HB3 ASN 11 3HB ASN 11 1.667 -9.481 -12.592 82 HD21 ASN 11 1HD2 ASN 11 3.741 -10.230 -12.732 83 HD22 ASN 11 2HD2 ASN 11 4.215 -11.806 -12.207 84 H LYS 12 H LYS 12 2.409 -6.988 -9.298 85 HA LYS 12 HA LYS 12 0.977 -5.018 -10.727 86 HB2 LYS 12 2HB LYS 12 2.400 -3.405 -9.557 87 HB3 LYS 12 3HB LYS 12 1.812 -4.644 -8.456 88 HG2 LYS 12 2HG LYS 12 3.924 -4.844 -7.793 89 HG3 LYS 12 3HG LYS 12 4.207 -5.678 -9.323 90 HD2 LYS 12 2HD LYS 12 5.716 -4.088 -9.750 91 HD3 LYS 12 3HD LYS 12 4.345 -3.008 -10.011 92 HE2 LYS 12 2HE LYS 12 5.487 -1.798 -8.450 93 HE3 LYS 12 3HE LYS 12 4.485 -2.779 -7.382 94 HZ1 LYS 12 3HZ LYS 12 6.578 -4.372 -7.636 95 HZ2 LYS 12 1HZ LYS 12 6.476 -3.185 -6.435 96 HZ3 LYS 12 2HZ LYS 12 7.355 -2.885 -7.849 97 H ASN 13 H ASN 13 4.148 -6.445 -11.151 98 HA ASN 13 HA ASN 13 5.298 -4.592 -12.881 99 HB2 ASN 13 2HB ASN 13 5.956 -7.129 -11.901 100 HB3 ASN 13 3HB ASN 13 5.942 -7.313 -13.653 101 HD21 ASN 13 1HD2 ASN 13 7.172 -5.664 -14.877 102 HD22 ASN 13 2HD2 ASN 13 8.659 -5.102 -14.200 103 H GLY 14 H GLY 14 2.945 -7.126 -13.489 104 HA2 GLY 14 2HA GLY 14 3.095 -7.148 -16.304 105 HA3 GLY 14 3HA GLY 14 1.710 -7.656 -15.349 106 H CYS 15 H CYS 15 1.029 -5.283 -14.099 107 HA CYS 15 HA CYS 15 -0.414 -3.982 -16.172 108 HB2 CYS 15 2HB CYS 15 -0.040 -3.330 -13.247 109 HB3 CYS 15 3HB CYS 15 -1.089 -2.404 -14.314 110 HG CYS 15 HG CYS 15 -2.370 -5.072 -14.959 111 H LEU 16 H LEU 16 2.464 -3.169 -14.310 112 HA LEU 16 HA LEU 16 2.722 -0.498 -15.149 113 HB2 LEU 16 2HB LEU 16 3.944 -1.429 -13.253 114 HB3 LEU 16 3HB LEU 16 4.856 -2.471 -14.344 115 HG LEU 16 HG LEU 16 5.805 -0.401 -15.388 116 HD11 LEU 16 1HD1 LEU 16 5.393 1.695 -14.604 117 HD12 LEU 16 2HD1 LEU 16 5.013 1.134 -12.975 118 HD13 LEU 16 3HD1 LEU 16 3.827 0.956 -14.268 119 HD21 LEU 16 3HD2 LEU 16 6.479 -0.313 -12.493 120 HD22 LEU 16 1HD2 LEU 16 7.539 -0.345 -13.902 121 HD23 LEU 16 2HD2 LEU 16 6.735 -1.822 -13.369 122 H VAL 17 H VAL 17 4.142 -3.493 -16.435 123 HA VAL 17 HA VAL 17 5.521 -2.219 -18.568 124 HB VAL 17 HB VAL 17 6.139 -4.453 -17.691 125 HG11 VAL 17 1HG1 VAL 17 4.870 -6.417 -18.344 126 HG12 VAL 17 2HG1 VAL 17 3.857 -5.323 -17.401 127 HG13 VAL 17 3HG1 VAL 17 3.677 -5.402 -19.154 128 HG21 VAL 17 3HG2 VAL 17 7.027 -5.127 -19.678 129 HG22 VAL 17 1HG2 VAL 17 5.505 -4.940 -20.548 130 HG23 VAL 17 2HG2 VAL 17 6.477 -3.521 -20.157 131 H PHE 18 H PHE 18 2.338 -3.677 -18.239 132 HA PHE 18 HA PHE 18 1.636 -3.801 -20.945 133 HB2 PHE 18 2HB PHE 18 0.305 -4.916 -19.252 134 HB3 PHE 18 3HB PHE 18 -0.103 -3.373 -18.508 135 HD1 PHE 18 HD1 PHE 18 -0.112 -4.478 -22.066 136 HD2 PHE 18 HD2 PHE 18 -2.369 -3.051 -18.752 137 HE1 PHE 18 HE1 PHE 18 -2.108 -4.323 -23.497 138 HE2 PHE 18 HE2 PHE 18 -4.368 -2.895 -20.176 139 HZ PHE 18 HZ PHE 18 -4.240 -3.532 -22.552 140 H VAL 19 H VAL 19 0.852 -1.270 -18.557 141 HA VAL 19 HA VAL 19 -0.270 0.507 -20.456 142 HB VAL 19 HB VAL 19 -0.812 0.686 -18.086 143 HG11 VAL 19 1HG1 VAL 19 1.665 0.139 -17.466 144 HG12 VAL 19 2HG1 VAL 19 1.854 1.893 -17.500 145 HG13 VAL 19 3HG1 VAL 19 0.688 1.151 -16.403 146 HG21 VAL 19 3HG2 VAL 19 -0.887 3.022 -17.957 147 HG22 VAL 19 1HG2 VAL 19 0.643 3.207 -18.815 148 HG23 VAL 19 2HG2 VAL 19 -0.800 2.689 -19.687 149 H SER 20 H SER 20 2.966 0.129 -19.116 150 HA SER 20 HA SER 20 4.123 2.492 -20.030 151 HB2 SER 20 2HB SER 20 5.229 -0.247 -19.466 152 HB3 SER 20 3HB SER 20 6.269 1.028 -20.099 153 HG SER 20 HG SER 20 6.437 1.493 -18.043 154 H ARG 21 H ARG 21 3.925 -0.675 -21.637 155 HA ARG 21 HA ARG 21 5.220 0.173 -24.015 156 HB2 ARG 21 2HB ARG 21 3.728 -2.226 -23.119 157 HB3 ARG 21 3HB ARG 21 3.795 -1.953 -24.855 158 HG2 ARG 21 2HG ARG 21 5.624 -3.315 -24.450 159 HG3 ARG 21 3HG ARG 21 6.328 -1.698 -24.507 160 HD2 ARG 21 2HD ARG 21 5.760 -1.854 -21.888 161 HD3 ARG 21 3HD ARG 21 6.019 -3.563 -22.235 162 HE ARG 21 HE ARG 21 8.257 -3.137 -22.539 163 HH11 ARG 21 1HH1 ARG 21 6.497 -0.134 -22.428 164 HH12 ARG 21 2HH1 ARG 21 7.922 0.848 -22.345 165 HH21 ARG 21 1HH2 ARG 21 10.140 -1.854 -22.431 166 HH22 ARG 21 2HH2 ARG 21 9.993 -0.131 -22.348 167 H LEU 22 H LEU 22 1.851 0.008 -23.001 168 HA LEU 22 HA LEU 22 0.626 0.474 -25.468 169 HB2 LEU 22 2HB LEU 22 -0.183 1.136 -22.652 170 HB3 LEU 22 3HB LEU 22 -1.217 1.500 -24.033 171 HG LEU 22 HG LEU 22 -0.239 -1.293 -23.580 172 HD11 LEU 22 1HD1 LEU 22 -1.908 0.197 -21.781 173 HD12 LEU 22 2HD1 LEU 22 -1.335 -1.466 -21.660 174 HD13 LEU 22 3HD1 LEU 22 -2.827 -1.109 -22.529 175 HD21 LEU 22 3HD2 LEU 22 -1.603 -0.222 -25.616 176 HD22 LEU 22 1HD2 LEU 22 -2.951 -0.619 -24.549 177 HD23 LEU 22 2HD2 LEU 22 -1.838 -1.884 -25.072 178 H TRP 23 H TRP 23 1.952 2.720 -23.091 179 HA TRP 23 HA TRP 23 1.019 5.092 -24.307 180 HB2 TRP 23 2HB TRP 23 3.270 4.497 -22.396 181 HB3 TRP 23 3HB TRP 23 2.988 6.126 -23.007 182 HD1 TRP 23 HD1 TRP 23 -0.324 5.646 -22.875 183 HE1 TRP 23 HE1 TRP 23 -1.424 5.933 -20.565 184 HE3 TRP 23 HE3 TRP 23 3.817 5.087 -19.929 185 HZ2 TRP 23 HZ2 TRP 23 -0.640 5.924 -17.854 186 HZ3 TRP 23 HZ3 TRP 23 3.556 5.240 -17.487 187 HH2 TRP 23 HH2 TRP 23 1.374 5.651 -16.473 188 H ASP 24 H ASP 24 3.921 3.153 -24.755 189 HA ASP 24 HA ASP 24 5.301 4.999 -26.404 190 HB2 ASP 24 2HB ASP 24 5.717 2.335 -25.403 191 HB3 ASP 24 3HB ASP 24 6.093 2.385 -27.123 192 H LEU 25 H LEU 25 3.509 2.027 -27.235 193 HA LEU 25 HA LEU 25 3.652 2.314 -30.007 194 HB2 LEU 25 2HB LEU 25 2.978 0.225 -29.241 195 HB3 LEU 25 3HB LEU 25 1.757 0.906 -28.169 196 HG LEU 25 HG LEU 25 0.416 1.502 -30.184 197 HD11 LEU 25 1HD1 LEU 25 0.976 0.754 -32.324 198 HD12 LEU 25 2HD1 LEU 25 2.234 -0.323 -31.720 199 HD13 LEU 25 3HD1 LEU 25 2.480 1.423 -31.692 200 HD21 LEU 25 3HD2 LEU 25 0.672 -0.920 -28.873 201 HD22 LEU 25 1HD2 LEU 25 0.691 -1.358 -30.582 202 HD23 LEU 25 2HD2 LEU 25 -0.658 -0.432 -29.924 203 H ASP 26 H ASP 26 1.366 3.625 -27.675 204 HA ASP 26 HA ASP 26 -0.427 4.678 -29.639 205 HB2 ASP 26 2HB ASP 26 -1.240 4.178 -27.407 206 HB3 ASP 26 3HB ASP 26 -0.093 5.313 -26.700 207 H LYS 27 H LYS 27 0.675 5.965 -31.075 208 HA LYS 27 HA LYS 27 2.562 7.937 -30.363 209 HB2 LYS 27 2HB LYS 27 2.116 6.869 -32.662 210 HB3 LYS 27 3HB LYS 27 0.839 8.066 -32.827 211 HG2 LYS 27 2HG LYS 27 2.465 9.278 -33.786 212 HG3 LYS 27 3HG LYS 27 2.886 9.661 -32.114 213 HD2 LYS 27 2HD LYS 27 4.441 7.692 -32.156 214 HD3 LYS 27 3HD LYS 27 4.125 7.560 -33.887 215 HE2 LYS 27 2HE LYS 27 4.750 10.199 -33.643 216 HE3 LYS 27 3HE LYS 27 5.777 9.481 -32.403 217 HZ1 LYS 27 3HZ LYS 27 6.954 9.554 -34.475 218 HZ2 LYS 27 1HZ LYS 27 5.704 8.745 -35.279 219 HZ3 LYS 27 2HZ LYS 27 6.617 7.938 -34.106 220 H LEU 28 H LEU 28 -0.918 7.947 -30.542 221 HA LEU 28 HA LEU 28 -1.353 10.722 -30.642 222 HB2 LEU 28 2HB LEU 28 -3.138 9.179 -31.088 223 HB3 LEU 28 3HB LEU 28 -3.011 8.497 -29.468 224 HG LEU 28 HG LEU 28 -3.564 11.077 -28.874 225 HD11 LEU 28 1HD1 LEU 28 -3.908 11.125 -31.560 226 HD12 LEU 28 2HD1 LEU 28 -4.746 12.184 -30.427 227 HD13 LEU 28 3HD1 LEU 28 -5.537 10.722 -31.018 228 HD21 LEU 28 3HD2 LEU 28 -4.712 8.690 -28.441 229 HD22 LEU 28 1HD2 LEU 28 -5.922 9.416 -29.499 230 HD23 LEU 28 2HD2 LEU 28 -5.464 10.223 -27.999 231 H GLY 29 H GLY 29 -0.557 8.565 -28.010 232 HA2 GLY 29 2HA GLY 29 0.227 9.067 -25.898 233 HA3 GLY 29 3HA GLY 29 0.151 10.770 -26.325 234 H MET 30 H MET 30 -2.783 9.256 -26.931 235 HA MET 30 HA MET 30 -3.859 9.484 -24.264 236 HB2 MET 30 2HB MET 30 -4.436 11.519 -26.392 237 HB3 MET 30 3HB MET 30 -5.655 11.129 -25.186 238 HG2 MET 30 2HG MET 30 -3.748 11.593 -23.488 239 HG3 MET 30 3HG MET 30 -3.005 12.450 -24.837 240 HE1 MET 30 3HE MET 30 -5.402 15.280 -25.643 241 HE2 MET 30 1HE MET 30 -3.682 15.148 -25.274 242 HE3 MET 30 2HE MET 30 -4.446 13.975 -26.347 243 H PHE 31 H PHE 31 -3.702 7.282 -25.885 244 HA PHE 31 HA PHE 31 -6.435 6.939 -26.919 245 HB2 PHE 31 2HB PHE 31 -4.520 6.544 -28.501 246 HB3 PHE 31 3HB PHE 31 -4.032 5.194 -27.482 247 HD1 PHE 31 HD1 PHE 31 -6.585 6.443 -29.801 248 HD2 PHE 31 HD2 PHE 31 -5.234 3.126 -27.501 249 HE1 PHE 31 HE1 PHE 31 -8.120 4.967 -31.034 250 HE2 PHE 31 HE2 PHE 31 -6.766 1.645 -28.732 251 HZ PHE 31 HZ PHE 31 -8.211 2.565 -30.501 252 H HIS 32 H HIS 32 -7.786 5.857 -25.661 253 HA HIS 32 HA HIS 32 -7.228 3.358 -24.511 254 HB2 HIS 32 2HB HIS 32 -7.507 4.186 -22.069 255 HB3 HIS 32 3HB HIS 32 -5.921 4.305 -22.825 256 HD1 HIS 32 HD1 HIS 32 -8.879 6.689 -23.040 257 HD2 HIS 32 HD2 HIS 32 -4.902 6.611 -21.841 258 HE1 HIS 32 HE1 HIS 32 -8.323 9.057 -22.401 259 H HIS 33 H HIS 33 -9.244 3.561 -25.929 260 HA HIS 33 HA HIS 33 -11.538 3.579 -24.164 261 HB2 HIS 33 2HB HIS 33 -12.825 5.022 -25.851 262 HB3 HIS 33 3HB HIS 33 -11.710 5.848 -24.767 263 HD1 HIS 33 HD1 HIS 33 -12.088 4.800 -28.359 264 HD2 HIS 33 HD2 HIS 33 -9.602 7.149 -26.000 265 HE1 HIS 33 HE1 HIS 33 -10.646 6.082 -29.972 266 HA PRO 34 HA PRO 34 -12.877 0.300 -26.752 267 HB2 PRO 34 2HB PRO 34 -15.576 0.540 -26.594 268 HB3 PRO 34 3HB PRO 34 -14.583 -0.041 -25.252 269 HG2 PRO 34 2HG PRO 34 -15.719 2.688 -25.725 270 HG3 PRO 34 3HG PRO 34 -15.649 1.750 -24.221 271 HD2 PRO 34 2HD PRO 34 -13.902 3.742 -24.778 272 HD3 PRO 34 3HD PRO 34 -13.451 2.315 -23.823 273 H VAL 35 H VAL 35 -13.529 -0.175 -28.831 274 HA VAL 35 HA VAL 35 -13.602 1.985 -30.687 275 HB VAL 35 HB VAL 35 -13.816 0.308 -32.412 276 HG11 VAL 35 1HG1 VAL 35 -11.995 -0.759 -30.260 277 HG12 VAL 35 2HG1 VAL 35 -11.823 -0.963 -32.005 278 HG13 VAL 35 3HG1 VAL 35 -11.623 0.632 -31.278 279 HG21 VAL 35 3HG2 VAL 35 -14.557 -1.497 -30.130 280 HG22 VAL 35 1HG2 VAL 35 -15.441 -1.183 -31.623 281 HG23 VAL 35 2HG2 VAL 35 -13.957 -2.135 -31.661 282 H SER 36 H SER 36 -15.277 2.727 -31.964 283 HA SER 36 HA SER 36 -17.904 2.507 -30.814 284 HB2 SER 36 2HB SER 36 -17.048 3.948 -33.335 285 HB3 SER 36 3HB SER 36 -18.553 4.189 -32.447 286 HG SER 36 HG SER 36 -17.521 5.535 -31.227 287 H ALA 37 H ALA 37 -19.681 1.499 -31.632 288 HA ALA 37 HA ALA 37 -19.308 -0.742 -33.308 289 HB1 ALA 37 1HB ALA 37 -22.044 0.335 -32.974 290 HB2 ALA 37 2HB ALA 37 -21.435 -1.308 -32.766 291 HB3 ALA 37 3HB ALA 37 -21.169 -0.103 -31.506 292 H GLU 38 H GLU 38 -20.402 2.534 -33.910 293 HA GLU 38 HA GLU 38 -21.631 2.282 -36.364 294 HB2 GLU 38 2HB GLU 38 -20.939 4.600 -36.800 295 HB3 GLU 38 3HB GLU 38 -21.529 4.396 -35.156 296 HG2 GLU 38 2HG GLU 38 -18.907 3.992 -34.752 297 HG3 GLU 38 3HG GLU 38 -18.839 5.082 -36.136 298 H GLU 39 H GLU 39 -18.184 2.362 -35.625 299 HA GLU 39 HA GLU 39 -17.502 2.145 -38.451 300 HB2 GLU 39 2HB GLU 39 -16.259 3.533 -36.592 301 HB3 GLU 39 3HB GLU 39 -15.476 1.996 -36.256 302 HG2 GLU 39 2HG GLU 39 -14.590 1.882 -38.469 303 HG3 GLU 39 3HG GLU 39 -15.528 3.288 -38.970 304 H LEU 40 H LEU 40 -17.538 0.219 -35.524 305 HA LEU 40 HA LEU 40 -16.763 -2.126 -37.129 306 HB2 LEU 40 2HB LEU 40 -15.973 -1.330 -34.355 307 HB3 LEU 40 3HB LEU 40 -15.997 -3.029 -34.822 308 HG LEU 40 HG LEU 40 -13.751 -2.153 -34.983 309 HD11 LEU 40 1HD1 LEU 40 -14.569 -2.319 -37.838 310 HD12 LEU 40 2HD1 LEU 40 -14.872 -3.703 -36.788 311 HD13 LEU 40 3HD1 LEU 40 -13.229 -3.098 -36.996 312 HD21 LEU 40 3HD2 LEU 40 -14.685 0.230 -35.468 313 HD22 LEU 40 1HD2 LEU 40 -14.568 -0.272 -37.155 314 HD23 LEU 40 2HD2 LEU 40 -13.127 -0.257 -36.138 315 HA PRO 41 HA PRO 41 -21.028 -2.796 -35.486 316 HB2 PRO 41 2HB PRO 41 -21.949 -3.974 -37.752 317 HB3 PRO 41 3HB PRO 41 -21.938 -2.222 -37.517 318 HG2 PRO 41 2HG PRO 41 -20.003 -3.945 -39.018 319 HG3 PRO 41 3HG PRO 41 -20.693 -2.377 -39.475 320 HD2 PRO 41 2HD PRO 41 -18.200 -2.628 -38.448 321 HD3 PRO 41 3HD PRO 41 -19.214 -1.199 -38.157 322 H ASP 42 H ASP 42 -18.557 -4.790 -36.855 323 HA ASP 42 HA ASP 42 -19.850 -7.205 -35.783 324 HB2 ASP 42 2HB ASP 42 -18.550 -8.502 -37.289 325 HB3 ASP 42 3HB ASP 42 -19.157 -7.139 -38.225 326 H TYR 43 H TYR 43 -18.186 -5.036 -34.419 327 HA TYR 43 HA TYR 43 -15.685 -5.973 -33.681 328 HB2 TYR 43 2HB TYR 43 -15.786 -4.474 -31.847 329 HB3 TYR 43 3HB TYR 43 -16.749 -3.732 -33.120 330 HD1 TYR 43 HD1 TYR 43 -19.324 -4.284 -33.028 331 HD2 TYR 43 HD2 TYR 43 -16.674 -4.605 -29.715 332 HE1 TYR 43 HE1 TYR 43 -21.236 -4.115 -31.490 333 HE2 TYR 43 HE2 TYR 43 -18.579 -4.438 -28.168 334 HH TYR 43 HH TYR 43 -20.767 -4.053 -27.977 335 H HIS 44 H HIS 44 -18.857 -6.932 -32.563 336 HA HIS 44 HA HIS 44 -18.152 -8.299 -30.232 337 HB2 HIS 44 2HB HIS 44 -20.491 -7.837 -31.591 338 HB3 HIS 44 3HB HIS 44 -20.280 -9.573 -31.805 339 HD1 HIS 44 HD1 HIS 44 -19.918 -7.209 -28.832 340 HD2 HIS 44 HD2 HIS 44 -21.587 -10.876 -29.846 341 HE1 HIS 44 HE1 HIS 44 -21.013 -8.053 -26.731 342 H THR 45 H THR 45 -18.261 -9.399 -33.595 343 HA THR 45 HA THR 45 -17.331 -12.048 -32.857 344 HB THR 45 HB THR 45 -18.979 -11.812 -34.670 345 HG1 THR 45 HG1 THR 45 -17.922 -13.625 -35.084 346 HG21 THR 45 3HG2 THR 45 -18.061 -10.988 -36.901 347 HG22 THR 45 1HG2 THR 45 -16.768 -10.236 -35.967 348 HG23 THR 45 2HG2 THR 45 -18.444 -9.757 -35.698 349 H VAL 46 H VAL 46 -16.016 -9.046 -33.911 350 HA VAL 46 HA VAL 46 -13.589 -10.101 -35.014 351 HB VAL 46 HB VAL 46 -14.261 -7.305 -34.085 352 HG11 VAL 46 1HG1 VAL 46 -11.990 -7.168 -34.100 353 HG12 VAL 46 2HG1 VAL 46 -11.805 -8.503 -35.240 354 HG13 VAL 46 3HG1 VAL 46 -12.287 -6.907 -35.818 355 HG21 VAL 46 3HG2 VAL 46 -15.061 -6.859 -36.156 356 HG22 VAL 46 1HG2 VAL 46 -13.936 -7.964 -36.946 357 HG23 VAL 46 2HG2 VAL 46 -15.382 -8.593 -36.158 358 H ILE 47 H ILE 47 -14.368 -8.374 -31.994 359 HA ILE 47 HA ILE 47 -11.980 -9.613 -30.790 360 HB ILE 47 HB ILE 47 -11.997 -7.580 -29.239 361 HG12 ILE 47 2HG1 ILE 47 -13.614 -6.440 -31.530 362 HG13 ILE 47 3HG1 ILE 47 -14.230 -6.758 -29.911 363 HG21 ILE 47 1HG2 ILE 47 -10.326 -8.033 -31.017 364 HG22 ILE 47 2HG2 ILE 47 -11.311 -7.087 -32.132 365 HG23 ILE 47 3HG2 ILE 47 -10.589 -6.314 -30.720 366 HD11 ILE 47 3HD1 ILE 47 -11.957 -4.877 -30.478 367 HD12 ILE 47 1HD1 ILE 47 -13.646 -4.377 -30.393 368 HD13 ILE 47 2HD1 ILE 47 -12.858 -5.067 -28.974 369 H LYS 48 H LYS 48 -15.290 -8.521 -30.325 370 HA LYS 48 HA LYS 48 -16.933 -9.314 -28.949 371 HB2 LYS 48 2HB LYS 48 -15.433 -11.498 -29.229 372 HB3 LYS 48 3HB LYS 48 -15.109 -11.192 -27.527 373 HG2 LYS 48 2HG LYS 48 -17.424 -11.365 -26.981 374 HG3 LYS 48 3HG LYS 48 -17.876 -11.423 -28.686 375 HD2 LYS 48 2HD LYS 48 -16.106 -13.483 -27.386 376 HD3 LYS 48 3HD LYS 48 -17.862 -13.638 -27.466 377 HE2 LYS 48 2HE LYS 48 -16.799 -12.961 -30.050 378 HE3 LYS 48 3HE LYS 48 -15.979 -14.384 -29.409 379 HZ1 LYS 48 3HZ LYS 48 -17.753 -15.407 -30.321 380 HZ2 LYS 48 1HZ LYS 48 -18.754 -14.047 -30.220 381 HZ3 LYS 48 2HZ LYS 48 -18.489 -15.006 -28.852 382 H ARG 49 H ARG 49 -13.869 -9.479 -27.122 383 HA ARG 49 HA ARG 49 -15.132 -7.853 -25.023 384 HB2 ARG 49 2HB ARG 49 -13.423 -10.161 -24.965 385 HB3 ARG 49 3HB ARG 49 -12.633 -8.827 -24.136 386 HG2 ARG 49 2HG ARG 49 -15.421 -9.064 -23.390 387 HG3 ARG 49 3HG ARG 49 -14.516 -10.546 -23.077 388 HD2 ARG 49 2HD ARG 49 -12.849 -9.262 -21.829 389 HD3 ARG 49 3HD ARG 49 -13.749 -7.780 -22.149 390 HE ARG 49 HE ARG 49 -15.496 -9.554 -20.918 391 HH11 ARG 49 1HH1 ARG 49 -12.549 -7.863 -20.162 392 HH12 ARG 49 2HH1 ARG 49 -12.887 -7.764 -18.466 393 HH21 ARG 49 1HH2 ARG 49 -15.953 -9.431 -18.687 394 HH22 ARG 49 2HH2 ARG 49 -14.823 -8.658 -17.627 395 HA PRO 50 HA PRO 50 -12.401 -4.745 -26.914 396 HB2 PRO 50 2HB PRO 50 -13.815 -2.630 -25.966 397 HB3 PRO 50 3HB PRO 50 -14.270 -3.512 -27.429 398 HG2 PRO 50 2HG PRO 50 -15.359 -3.759 -24.651 399 HG3 PRO 50 3HG PRO 50 -16.229 -3.732 -26.196 400 HD2 PRO 50 2HD PRO 50 -15.706 -6.028 -24.859 401 HD3 PRO 50 3HD PRO 50 -15.782 -5.951 -26.631 402 H VAL 51 H VAL 51 -11.759 -2.489 -25.709 403 HA VAL 51 HA VAL 51 -11.107 -3.064 -22.911 404 HB VAL 51 HB VAL 51 -9.157 -3.818 -24.145 405 HG11 VAL 51 1HG1 VAL 51 -7.959 -2.511 -25.689 406 HG12 VAL 51 2HG1 VAL 51 -9.655 -2.305 -26.132 407 HG13 VAL 51 3HG1 VAL 51 -8.816 -1.039 -25.235 408 HG21 VAL 51 3HG2 VAL 51 -7.518 -2.661 -22.933 409 HG22 VAL 51 1HG2 VAL 51 -8.421 -1.147 -22.990 410 HG23 VAL 51 2HG2 VAL 51 -8.986 -2.473 -21.973 411 H ASP 52 H ASP 52 -10.873 -1.267 -21.612 412 HA ASP 52 HA ASP 52 -10.974 1.381 -22.830 413 HB2 ASP 52 2HB ASP 52 -13.332 0.750 -22.545 414 HB3 ASP 52 3HB ASP 52 -13.041 0.424 -20.838 415 H LEU 53 H LEU 53 -10.456 3.097 -21.352 416 HA LEU 53 HA LEU 53 -8.390 2.436 -19.554 417 HB2 LEU 53 2HB LEU 53 -9.016 4.659 -20.849 418 HB3 LEU 53 3HB LEU 53 -9.800 5.042 -19.318 419 HG LEU 53 HG LEU 53 -6.870 4.512 -19.786 420 HD11 LEU 53 1HD1 LEU 53 -7.913 6.960 -18.489 421 HD12 LEU 53 2HD1 LEU 53 -8.160 6.797 -20.227 422 HD13 LEU 53 3HD1 LEU 53 -6.529 6.742 -19.559 423 HD21 LEU 53 3HD2 LEU 53 -7.413 3.498 -17.698 424 HD22 LEU 53 1HD2 LEU 53 -8.406 4.876 -17.221 425 HD23 LEU 53 2HD2 LEU 53 -6.656 5.054 -17.351 426 H SER 54 H SER 54 -11.755 3.418 -19.035 427 HA SER 54 HA SER 54 -11.611 3.470 -16.208 428 HB2 SER 54 2HB SER 54 -13.400 4.512 -17.732 429 HB3 SER 54 3HB SER 54 -14.126 2.906 -17.771 430 HG SER 54 HG SER 54 -13.808 4.663 -15.596 431 H SER 55 H SER 55 -12.428 0.964 -18.543 432 HA SER 55 HA SER 55 -13.448 -0.949 -16.772 433 HB2 SER 55 2HB SER 55 -12.290 -0.993 -19.509 434 HB3 SER 55 3HB SER 55 -12.353 -2.531 -18.648 435 HG SER 55 HG SER 55 -14.505 -2.466 -18.646 436 H ILE 56 H ILE 56 -10.132 -0.514 -17.990 437 HA ILE 56 HA ILE 56 -9.039 -2.610 -16.405 438 HB ILE 56 HB ILE 56 -7.655 -0.282 -17.742 439 HG12 ILE 56 2HG1 ILE 56 -7.510 -3.078 -18.758 440 HG13 ILE 56 3HG1 ILE 56 -9.009 -2.194 -19.023 441 HG21 ILE 56 1HG2 ILE 56 -5.617 -1.641 -17.535 442 HG22 ILE 56 2HG2 ILE 56 -6.284 -1.198 -15.965 443 HG23 ILE 56 3HG2 ILE 56 -6.519 -2.829 -16.595 444 HD11 ILE 56 3HD1 ILE 56 -6.635 -0.658 -19.708 445 HD12 ILE 56 1HD1 ILE 56 -6.807 -2.144 -20.642 446 HD13 ILE 56 2HD1 ILE 56 -8.107 -0.951 -20.633 447 H ARG 57 H ARG 57 -9.037 0.931 -16.092 448 HA ARG 57 HA ARG 57 -7.498 1.172 -13.804 449 HB2 ARG 57 2HB ARG 57 -8.287 3.073 -15.176 450 HB3 ARG 57 3HB ARG 57 -9.911 2.834 -14.547 451 HG2 ARG 57 2HG ARG 57 -7.737 3.210 -12.574 452 HG3 ARG 57 3HG ARG 57 -8.229 4.612 -13.527 453 HD2 ARG 57 2HD ARG 57 -10.643 3.708 -12.831 454 HD3 ARG 57 3HD ARG 57 -9.715 3.090 -11.465 455 HE ARG 57 HE ARG 57 -9.478 5.235 -10.697 456 HH11 ARG 57 1HH1 ARG 57 -10.566 5.313 -14.003 457 HH12 ARG 57 2HH1 ARG 57 -10.853 7.021 -14.005 458 HH21 ARG 57 1HH2 ARG 57 -9.852 7.485 -10.688 459 HH22 ARG 57 2HH2 ARG 57 -10.446 8.256 -12.119 460 H ASP 58 H ASP 58 -10.936 0.440 -14.120 461 HA ASP 58 HA ASP 58 -11.478 0.526 -11.320 462 HB2 ASP 58 2HB ASP 58 -13.202 0.815 -13.116 463 HB3 ASP 58 3HB ASP 58 -13.053 -0.904 -13.468 464 H GLY 59 H GLY 59 -10.585 -2.004 -13.603 465 HA2 GLY 59 2HA GLY 59 -11.072 -4.231 -11.963 466 HA3 GLY 59 3HA GLY 59 -9.917 -4.176 -13.286 467 H ILE 60 H ILE 60 -8.072 -2.373 -12.435 468 HA ILE 60 HA ILE 60 -6.543 -3.900 -10.608 469 HB ILE 60 HB ILE 60 -6.168 -1.156 -11.780 470 HG12 ILE 60 2HG1 ILE 60 -4.049 -2.559 -12.583 471 HG13 ILE 60 3HG1 ILE 60 -5.139 -3.908 -12.285 472 HG21 ILE 60 1HG2 ILE 60 -4.452 -2.570 -9.754 473 HG22 ILE 60 2HG2 ILE 60 -3.851 -1.277 -10.790 474 HG23 ILE 60 3HG2 ILE 60 -5.156 -0.956 -9.649 475 HD11 ILE 60 3HD1 ILE 60 -6.714 -3.072 -13.866 476 HD12 ILE 60 1HD1 ILE 60 -5.808 -1.570 -14.051 477 HD13 ILE 60 2HD1 ILE 60 -5.123 -3.091 -14.628 478 H GLU 61 H GLU 61 -8.415 -0.920 -10.284 479 HA GLU 61 HA GLU 61 -7.623 -0.261 -7.671 480 HB2 GLU 61 2HB GLU 61 -8.967 1.122 -9.397 481 HB3 GLU 61 3HB GLU 61 -10.376 0.304 -8.735 482 HG2 GLU 61 2HG GLU 61 -8.991 1.220 -6.510 483 HG3 GLU 61 3HG GLU 61 -8.870 2.528 -7.686 484 H LYS 62 H LYS 62 -10.130 -2.399 -8.900 485 HA LYS 62 HA LYS 62 -11.282 -2.891 -6.312 486 HB2 LYS 62 2HB LYS 62 -11.625 -4.346 -8.941 487 HB3 LYS 62 3HB LYS 62 -12.581 -4.640 -7.495 488 HG2 LYS 62 2HG LYS 62 -13.726 -2.655 -7.681 489 HG3 LYS 62 3HG LYS 62 -12.452 -1.886 -8.630 490 HD2 LYS 62 2HD LYS 62 -14.384 -2.353 -10.028 491 HD3 LYS 62 3HD LYS 62 -13.010 -3.341 -10.531 492 HE2 LYS 62 2HE LYS 62 -13.928 -5.286 -9.618 493 HE3 LYS 62 3HE LYS 62 -15.051 -4.387 -8.599 494 HZ1 LYS 62 3HZ LYS 62 -15.487 -5.420 -11.162 495 HZ2 LYS 62 1HZ LYS 62 -15.574 -3.733 -11.268 496 HZ3 LYS 62 2HZ LYS 62 -16.567 -4.565 -10.181 497 H GLY 63 H GLY 63 -8.717 -4.230 -8.211 498 HA2 GLY 63 2HA GLY 63 -7.020 -5.610 -7.337 499 HA3 GLY 63 3HA GLY 63 -8.098 -6.068 -6.027 500 H THR 64 H THR 64 -9.152 -6.142 -9.346 501 HA THR 64 HA THR 64 -10.218 -8.650 -9.342 502 HB THR 64 HB THR 64 -10.590 -7.144 -11.201 503 HG1 THR 64 HG1 THR 64 -10.961 -8.905 -12.298 504 HG21 THR 64 3HG2 THR 64 -8.124 -6.374 -11.183 505 HG22 THR 64 1HG2 THR 64 -8.966 -6.456 -12.730 506 HG23 THR 64 2HG2 THR 64 -7.848 -7.739 -12.265 507 H TYR 65 H TYR 65 -6.868 -7.777 -10.062 508 HA TYR 65 HA TYR 65 -5.925 -10.228 -10.954 509 HB2 TYR 65 2HB TYR 65 -3.706 -9.437 -9.940 510 HB3 TYR 65 3HB TYR 65 -4.454 -8.399 -11.148 511 HD1 TYR 65 HD2 TYR 65 -3.824 -8.816 -7.534 512 HD2 TYR 65 HD1 TYR 65 -5.180 -6.198 -10.601 513 HE1 TYR 65 HE2 TYR 65 -3.754 -6.935 -5.951 514 HE2 TYR 65 HE1 TYR 65 -5.113 -4.309 -9.027 515 HH TYR 65 HH TYR 65 -3.649 -4.566 -5.911 516 H ALA 66 H ALA 66 -5.673 -12.150 -10.035 517 HA ALA 66 HA ALA 66 -5.788 -12.319 -7.095 518 HB1 ALA 66 1HB ALA 66 -6.403 -14.657 -8.844 519 HB2 ALA 66 2HB ALA 66 -7.001 -14.269 -7.231 520 HB3 ALA 66 3HB ALA 66 -7.610 -13.388 -8.632 521 H THR 67 H THR 67 -4.043 -13.230 -9.963 522 HA THR 67 HA THR 67 -1.669 -13.785 -8.531 523 HB THR 67 HB THR 67 -1.976 -16.291 -9.794 524 HG1 THR 67 HG1 THR 67 -3.920 -16.975 -9.257 525 HG21 THR 67 3HG2 THR 67 -0.603 -16.335 -7.968 526 HG22 THR 67 1HG2 THR 67 -2.077 -16.944 -7.218 527 HG23 THR 67 2HG2 THR 67 -1.629 -15.249 -7.032 528 H ASP 68 H ASP 68 -0.153 -15.185 -10.169 529 HA ASP 68 HA ASP 68 0.309 -13.497 -12.354 530 HB2 ASP 68 2HB ASP 68 1.971 -15.045 -11.227 531 HB3 ASP 68 3HB ASP 68 1.247 -16.360 -12.150 532 H VAL 69 H VAL 69 -1.738 -16.263 -12.002 533 HA VAL 69 HA VAL 69 -1.987 -16.898 -14.770 534 HB VAL 69 HB VAL 69 -3.819 -17.527 -12.451 535 HG11 VAL 69 1HG1 VAL 69 -5.296 -18.246 -13.944 536 HG12 VAL 69 2HG1 VAL 69 -4.211 -17.833 -15.273 537 HG13 VAL 69 3HG1 VAL 69 -4.108 -19.420 -14.509 538 HG21 VAL 69 3HG2 VAL 69 -1.987 -18.765 -11.929 539 HG22 VAL 69 1HG2 VAL 69 -2.713 -19.870 -13.096 540 HG23 VAL 69 2HG2 VAL 69 -1.400 -18.802 -13.592 541 H ASP 70 H ASP 70 -4.057 -15.113 -12.490 542 HA ASP 70 HA ASP 70 -6.031 -14.409 -14.376 543 HB2 ASP 70 2HB ASP 70 -6.104 -14.302 -11.789 544 HB3 ASP 70 3HB ASP 70 -5.367 -12.714 -11.983 545 H VAL 71 H VAL 71 -3.100 -12.766 -13.278 546 HA VAL 71 HA VAL 71 -3.531 -10.355 -14.695 547 HB VAL 71 HB VAL 71 -0.964 -11.611 -13.720 548 HG11 VAL 71 1HG1 VAL 71 -0.019 -10.130 -15.132 549 HG12 VAL 71 2HG1 VAL 71 -1.486 -9.159 -15.265 550 HG13 VAL 71 3HG1 VAL 71 -0.426 -8.970 -13.867 551 HG21 VAL 71 3HG2 VAL 71 -1.355 -9.491 -12.134 552 HG22 VAL 71 1HG2 VAL 71 -3.034 -9.880 -12.510 553 HG23 VAL 71 2HG2 VAL 71 -1.993 -11.094 -11.766 554 H GLN 72 H GLN 72 -1.679 -13.284 -15.473 555 HA GLN 72 HA GLN 72 -0.655 -12.394 -17.932 556 HB2 GLN 72 2HB GLN 72 0.328 -14.313 -16.913 557 HB3 GLN 72 3HB GLN 72 -1.213 -15.158 -16.864 558 HG2 GLN 72 2HG GLN 72 -0.308 -14.360 -19.541 559 HG3 GLN 72 3HG GLN 72 0.694 -15.561 -18.727 560 HE21 GLN 72 1HE2 GLN 72 -1.535 -15.389 -20.944 561 HE22 GLN 72 2HE2 GLN 72 -2.461 -16.814 -20.630 562 H ASN 73 H ASN 73 -3.662 -14.039 -17.094 563 HA ASN 73 HA ASN 73 -4.515 -14.489 -19.762 564 HB2 ASN 73 2HB ASN 73 -5.397 -15.257 -17.264 565 HB3 ASN 73 3HB ASN 73 -6.659 -14.150 -17.797 566 HD21 ASN 73 1HD2 ASN 73 -6.802 -17.009 -17.388 567 HD22 ASN 73 2HD2 ASN 73 -7.272 -17.698 -18.901 568 H ASP 74 H ASP 74 -5.038 -11.880 -17.446 569 HA ASP 74 HA ASP 74 -6.963 -10.458 -18.936 570 HB2 ASP 74 2HB ASP 74 -6.577 -10.023 -16.560 571 HB3 ASP 74 3HB ASP 74 -4.953 -9.440 -16.916 572 H VAL 75 H VAL 75 -3.438 -10.026 -18.677 573 HA VAL 75 HA VAL 75 -3.251 -7.909 -20.521 574 HB VAL 75 HB VAL 75 -1.439 -8.421 -18.971 575 HG11 VAL 75 1HG1 VAL 75 -0.014 -10.344 -19.230 576 HG12 VAL 75 2HG1 VAL 75 -1.684 -10.889 -19.062 577 HG13 VAL 75 3HG1 VAL 75 -0.917 -10.870 -20.651 578 HG21 VAL 75 3HG2 VAL 75 -0.400 -8.824 -21.765 579 HG22 VAL 75 1HG2 VAL 75 -1.047 -7.283 -21.201 580 HG23 VAL 75 2HG2 VAL 75 0.373 -7.982 -20.422 581 H ALA 76 H ALA 76 -3.101 -11.411 -20.923 582 HA ALA 76 HA ALA 76 -2.267 -11.463 -23.606 583 HB1 ALA 76 1HB ALA 76 -3.438 -13.741 -23.593 584 HB2 ALA 76 2HB ALA 76 -2.111 -13.491 -22.458 585 HB3 ALA 76 3HB ALA 76 -3.780 -13.407 -21.895 586 H ARG 77 H ARG 77 -5.524 -11.492 -22.181 587 HA ARG 77 HA ARG 77 -6.932 -11.658 -24.614 588 HB2 ARG 77 2HB ARG 77 -7.788 -12.013 -22.213 589 HB3 ARG 77 3HB ARG 77 -7.980 -10.266 -22.160 590 HG2 ARG 77 2HG ARG 77 -10.083 -11.043 -22.760 591 HG3 ARG 77 3HG ARG 77 -9.367 -10.547 -24.295 592 HD2 ARG 77 2HD ARG 77 -9.022 -12.739 -24.985 593 HD3 ARG 77 3HD ARG 77 -9.107 -13.371 -23.342 594 HE ARG 77 HE ARG 77 -11.595 -12.337 -23.837 595 HH11 ARG 77 1HH1 ARG 77 -9.546 -14.726 -25.326 596 HH12 ARG 77 2HH1 ARG 77 -10.867 -15.676 -25.922 597 HH21 ARG 77 1HH2 ARG 77 -13.342 -13.580 -24.617 598 HH22 ARG 77 2HH2 ARG 77 -13.025 -15.023 -25.519 599 H MET 78 H MET 78 -5.886 -8.886 -22.672 600 HA MET 78 HA MET 78 -7.149 -6.878 -24.162 601 HB2 MET 78 2HB MET 78 -4.543 -6.723 -22.637 602 HB3 MET 78 3HB MET 78 -5.510 -5.349 -23.154 603 HG2 MET 78 2HG MET 78 -6.904 -7.364 -21.522 604 HG3 MET 78 3HG MET 78 -5.642 -6.442 -20.708 605 HE1 MET 78 3HE MET 78 -9.435 -5.800 -20.216 606 HE2 MET 78 1HE MET 78 -7.974 -6.488 -19.506 607 HE3 MET 78 2HE MET 78 -8.413 -4.813 -19.170 608 H ILE 79 H ILE 79 -3.894 -8.268 -24.462 609 HA ILE 79 HA ILE 79 -3.008 -6.638 -26.566 610 HB ILE 79 HB ILE 79 -2.168 -9.242 -25.428 611 HG12 ILE 79 2HG1 ILE 79 0.055 -8.041 -25.520 612 HG13 ILE 79 3HG1 ILE 79 -0.806 -6.646 -26.162 613 HG21 ILE 79 1HG2 ILE 79 -1.465 -8.355 -28.212 614 HG22 ILE 79 2HG2 ILE 79 -0.445 -9.445 -27.275 615 HG23 ILE 79 3HG2 ILE 79 -2.093 -9.917 -27.686 616 HD11 ILE 79 3HD1 ILE 79 -0.574 -6.230 -23.877 617 HD12 ILE 79 1HD1 ILE 79 -2.240 -6.775 -24.068 618 HD13 ILE 79 2HD1 ILE 79 -1.017 -7.881 -23.442 619 H THR 80 H THR 80 -4.530 -9.851 -26.625 620 HA THR 80 HA THR 80 -4.492 -10.253 -29.384 621 HB THR 80 HB THR 80 -6.616 -11.196 -27.448 622 HG1 THR 80 HG1 THR 80 -4.218 -12.491 -28.291 623 HG21 THR 80 3HG2 THR 80 -7.500 -11.711 -29.516 624 HG22 THR 80 1HG2 THR 80 -6.539 -13.153 -29.193 625 HG23 THR 80 2HG2 THR 80 -5.916 -11.900 -30.266 626 H ASN 81 H ASN 81 -6.905 -8.644 -27.347 627 HA ASN 81 HA ASN 81 -8.813 -8.184 -29.361 628 HB2 ASN 81 2HB ASN 81 -9.631 -7.882 -27.200 629 HB3 ASN 81 3HB ASN 81 -8.237 -6.930 -26.698 630 HD21 ASN 81 1HD2 ASN 81 -8.109 -4.751 -27.304 631 HD22 ASN 81 2HD2 ASN 81 -9.512 -3.867 -27.791 632 H ALA 82 H ALA 82 -6.165 -6.156 -28.141 633 HA ALA 82 HA ALA 82 -6.659 -3.911 -29.747 634 HB1 ALA 82 1HB ALA 82 -4.242 -3.383 -29.335 635 HB2 ALA 82 2HB ALA 82 -5.196 -3.694 -27.885 636 HB3 ALA 82 3HB ALA 82 -4.113 -4.937 -28.511 637 H LEU 83 H LEU 83 -4.814 -6.853 -30.353 638 HA LEU 83 HA LEU 83 -3.638 -5.999 -32.786 639 HB2 LEU 83 2HB LEU 83 -2.560 -7.802 -31.831 640 HB3 LEU 83 3HB LEU 83 -4.068 -8.629 -31.445 641 HG LEU 83 HG LEU 83 -3.376 -8.319 -34.315 642 HD11 LEU 83 1HD1 LEU 83 -1.981 -10.246 -32.465 643 HD12 LEU 83 2HD1 LEU 83 -1.234 -8.959 -33.412 644 HD13 LEU 83 3HD1 LEU 83 -1.967 -10.341 -34.226 645 HD21 LEU 83 3HD2 LEU 83 -4.147 -10.934 -33.451 646 HD22 LEU 83 1HD2 LEU 83 -5.008 -9.809 -34.501 647 HD23 LEU 83 2HD2 LEU 83 -5.240 -9.737 -32.754 648 H GLU 84 H GLU 84 -6.616 -7.732 -32.008 649 HA GLU 84 HA GLU 84 -7.359 -8.376 -34.645 650 HB2 GLU 84 2HB GLU 84 -8.551 -8.489 -32.009 651 HB3 GLU 84 3HB GLU 84 -9.731 -7.986 -33.211 652 HG2 GLU 84 2HG GLU 84 -9.795 -10.375 -32.952 653 HG3 GLU 84 3HG GLU 84 -9.186 -9.965 -34.555 654 H TYR 85 H TYR 85 -8.006 -5.548 -32.629 655 HA TYR 85 HA TYR 85 -9.666 -4.296 -34.622 656 HB2 TYR 85 2HB TYR 85 -10.191 -3.784 -32.355 657 HB3 TYR 85 3HB TYR 85 -8.524 -3.349 -31.994 658 HD1 TYR 85 HD1 TYR 85 -10.847 -2.326 -34.739 659 HD2 TYR 85 HD2 TYR 85 -8.439 -1.106 -31.449 660 HE1 TYR 85 HE1 TYR 85 -11.358 0.026 -35.245 661 HE2 TYR 85 HE2 TYR 85 -8.945 1.249 -31.946 662 HH TYR 85 HH TYR 85 -10.143 2.313 -34.784 663 H ASN 86 H ASN 86 -6.308 -4.344 -33.787 664 HA ASN 86 HA ASN 86 -5.715 -1.976 -35.375 665 HB2 ASN 86 2HB ASN 86 -4.003 -3.814 -33.701 666 HB3 ASN 86 3HB ASN 86 -3.326 -2.530 -34.698 667 HD21 ASN 86 1HD2 ASN 86 -2.505 -1.457 -32.909 668 HD22 ASN 86 2HD2 ASN 86 -3.517 -0.587 -31.812 669 H ALA 87 H ALA 87 -6.388 -5.079 -36.074 670 HA ALA 87 HA ALA 87 -4.294 -5.817 -37.840 671 HB1 ALA 87 1HB ALA 87 -7.076 -6.804 -38.249 672 HB2 ALA 87 2HB ALA 87 -5.545 -7.677 -38.330 673 HB3 ALA 87 3HB ALA 87 -6.224 -7.230 -36.764 674 H LYS 88 H LYS 88 -3.798 -4.258 -39.323 675 HA LYS 88 HA LYS 88 -5.860 -3.712 -41.347 676 HB2 LYS 88 2HB LYS 88 -4.290 -1.784 -39.750 677 HB3 LYS 88 3HB LYS 88 -4.374 -1.444 -41.474 678 HG2 LYS 88 2HG LYS 88 -6.924 -1.799 -41.161 679 HG3 LYS 88 3HG LYS 88 -6.570 -1.524 -39.454 680 HD2 LYS 88 2HD LYS 88 -5.494 0.617 -40.057 681 HD3 LYS 88 3HD LYS 88 -5.945 0.344 -41.741 682 HE2 LYS 88 2HE LYS 88 -8.347 0.117 -40.812 683 HE3 LYS 88 3HE LYS 88 -7.700 0.919 -39.382 684 HZ1 LYS 88 3HZ LYS 88 -6.987 2.223 -41.840 685 HZ2 LYS 88 1HZ LYS 88 -7.647 2.872 -40.424 686 HZ3 LYS 88 2HZ LYS 88 -8.658 2.169 -41.583 687 H GLY 89 H GLY 89 -2.454 -2.746 -40.968 688 HA2 GLY 89 2HA GLY 89 -1.039 -4.495 -42.388 689 HA3 GLY 89 3HA GLY 89 -1.924 -3.687 -43.674 690 H SER 90 H SER 90 -1.845 -1.139 -42.068 691 HA SER 90 HA SER 90 0.440 -0.022 -43.285 692 HB2 SER 90 2HB SER 90 -1.788 1.087 -42.418 693 HB3 SER 90 3HB SER 90 -0.860 1.304 -40.935 694 HG SER 90 HG SER 90 -0.716 2.675 -43.257 695 H THR 91 H THR 91 1.667 1.602 -41.493 696 HA THR 91 HA THR 91 3.603 -0.084 -40.338 697 HB THR 91 HB THR 91 3.169 2.777 -39.501 698 HG1 THR 91 HG1 THR 91 4.251 3.398 -41.365 699 HG21 THR 91 3HG2 THR 91 4.910 1.594 -38.305 700 HG22 THR 91 1HG2 THR 91 5.646 2.760 -39.403 701 HG23 THR 91 2HG2 THR 91 5.624 1.047 -39.821 702 H TRP 92 H TRP 92 0.686 1.353 -39.079 703 HA TRP 92 HA TRP 92 1.243 1.080 -36.326 704 HB2 TRP 92 2HB TRP 92 -0.977 1.871 -37.958 705 HB3 TRP 92 3HB TRP 92 -1.543 0.739 -36.732 706 HD1 TRP 92 HD1 TRP 92 -2.595 2.173 -34.888 707 HE1 TRP 92 HE1 TRP 92 -1.883 4.243 -33.535 708 HE3 TRP 92 HE3 TRP 92 1.783 3.251 -37.298 709 HZ2 TRP 92 HZ2 TRP 92 0.252 6.089 -33.494 710 HZ3 TRP 92 HZ3 TRP 92 3.101 5.186 -36.540 711 HH2 TRP 92 HH2 TRP 92 2.349 6.575 -34.677 712 H TYR 93 H TYR 93 -0.138 -1.115 -38.709 713 HA TYR 93 HA TYR 93 -1.003 -3.110 -36.917 714 HB2 TYR 93 2HB TYR 93 -1.828 -3.147 -39.162 715 HB3 TYR 93 3HB TYR 93 -0.200 -3.228 -39.826 716 HD1 TYR 93 HD2 TYR 93 -1.932 -5.188 -37.155 717 HD2 TYR 93 HD1 TYR 93 0.076 -5.251 -40.905 718 HE1 TYR 93 HE2 TYR 93 -2.071 -7.643 -37.181 719 HE2 TYR 93 HE1 TYR 93 -0.059 -7.706 -40.943 720 HH TYR 93 HH TYR 93 -1.257 -9.499 -39.987 721 H GLN 94 H GLN 94 2.038 -2.698 -38.700 722 HA GLN 94 HA GLN 94 3.245 -5.085 -37.793 723 HB2 GLN 94 2HB GLN 94 3.961 -3.670 -39.766 724 HB3 GLN 94 3HB GLN 94 4.691 -2.565 -38.608 725 HG2 GLN 94 2HG GLN 94 5.580 -5.197 -38.015 726 HG3 GLN 94 3HG GLN 94 5.785 -4.910 -39.743 727 HE21 GLN 94 1HE2 GLN 94 7.721 -4.193 -40.220 728 HE22 GLN 94 2HE2 GLN 94 8.689 -3.134 -39.258 729 H GLU 95 H GLU 95 3.324 -1.757 -36.590 730 HA GLU 95 HA GLU 95 5.239 -2.127 -34.577 731 HB2 GLU 95 2HB GLU 95 4.053 0.036 -35.510 732 HB3 GLU 95 3HB GLU 95 2.955 -0.245 -34.165 733 HG2 GLU 95 2HG GLU 95 5.875 0.398 -34.102 734 HG3 GLU 95 3HG GLU 95 4.535 1.235 -33.321 735 H ALA 96 H ALA 96 1.700 -2.384 -34.475 736 HA ALA 96 HA ALA 96 1.509 -2.992 -31.726 737 HB1 ALA 96 1HB ALA 96 -0.325 -3.392 -34.062 738 HB2 ALA 96 2HB ALA 96 -0.744 -3.992 -32.457 739 HB3 ALA 96 3HB ALA 96 -0.473 -2.268 -32.711 740 H MET 97 H MET 97 1.758 -5.040 -34.606 741 HA MET 97 HA MET 97 1.432 -7.509 -33.279 742 HB2 MET 97 2HB MET 97 1.314 -7.020 -35.791 743 HB3 MET 97 3HB MET 97 3.070 -7.113 -35.776 744 HG2 MET 97 2HG MET 97 2.204 -9.405 -34.446 745 HG3 MET 97 3HG MET 97 1.120 -9.223 -35.824 746 HE1 MET 97 3HE MET 97 3.045 -11.271 -38.204 747 HE2 MET 97 1HE MET 97 2.067 -11.607 -36.775 748 HE3 MET 97 2HE MET 97 1.572 -10.347 -37.905 749 H SER 98 H SER 98 4.315 -5.637 -34.144 750 HA SER 98 HA SER 98 6.214 -7.516 -33.256 751 HB2 SER 98 2HB SER 98 6.211 -4.722 -34.121 752 HB3 SER 98 3HB SER 98 7.428 -5.058 -32.890 753 HG SER 98 HG SER 98 8.546 -6.001 -34.382 754 H PHE 99 H PHE 99 4.611 -4.821 -31.619 755 HA PHE 99 HA PHE 99 6.061 -5.025 -29.198 756 HB2 PHE 99 2HB PHE 99 3.832 -3.483 -30.225 757 HB3 PHE 99 3HB PHE 99 3.543 -3.982 -28.561 758 HD1 PHE 99 HD1 PHE 99 6.622 -2.934 -30.387 759 HD2 PHE 99 HD2 PHE 99 3.949 -2.216 -27.153 760 HE1 PHE 99 HE1 PHE 99 8.075 -1.113 -29.595 761 HE2 PHE 99 HE2 PHE 99 5.398 -0.393 -26.357 762 HZ PHE 99 HZ PHE 99 7.463 0.161 -27.578 763 H ARG 100 H ARG 100 3.108 -6.526 -30.377 764 HA ARG 100 HA ARG 100 2.141 -7.600 -27.997 765 HB2 ARG 100 2HB ARG 100 0.749 -7.701 -29.916 766 HB3 ARG 100 3HB ARG 100 1.969 -8.558 -30.848 767 HG2 ARG 100 2HG ARG 100 1.101 -9.946 -28.419 768 HG3 ARG 100 3HG ARG 100 -0.159 -9.719 -29.633 769 HD2 ARG 100 2HD ARG 100 0.835 -11.107 -31.121 770 HD3 ARG 100 3HD ARG 100 2.463 -10.645 -30.625 771 HE ARG 100 HE ARG 100 2.480 -12.434 -29.210 772 HH11 ARG 100 1HH1 ARG 100 -0.822 -11.686 -30.020 773 HH12 ARG 100 2HH1 ARG 100 -1.472 -13.069 -29.204 774 HH21 ARG 100 1HH2 ARG 100 1.637 -14.258 -28.132 775 HH22 ARG 100 2HH2 ARG 100 -0.073 -14.531 -28.129 776 H LYS 101 H LYS 101 4.861 -8.512 -29.925 777 HA LYS 101 HA LYS 101 5.124 -11.169 -28.891 778 HB2 LYS 101 2HB LYS 101 7.224 -9.443 -30.213 779 HB3 LYS 101 3HB LYS 101 7.279 -11.189 -30.011 780 HG2 LYS 101 2HG LYS 101 5.189 -9.748 -31.627 781 HG3 LYS 101 3HG LYS 101 6.671 -10.430 -32.300 782 HD2 LYS 101 2HD LYS 101 4.779 -12.103 -30.679 783 HD3 LYS 101 3HD LYS 101 4.523 -11.841 -32.406 784 HE2 LYS 101 2HE LYS 101 7.214 -12.716 -31.484 785 HE3 LYS 101 3HE LYS 101 5.910 -13.902 -31.506 786 HZ1 LYS 101 3HZ LYS 101 5.964 -12.397 -33.915 787 HZ2 LYS 101 1HZ LYS 101 6.067 -14.071 -33.697 788 HZ3 LYS 101 2HZ LYS 101 7.466 -13.123 -33.634 789 H THR 102 H THR 102 5.976 -8.029 -27.793 790 HA THR 102 HA THR 102 7.736 -9.178 -25.730 791 HB THR 102 HB THR 102 8.791 -7.428 -27.112 792 HG1 THR 102 HG1 THR 102 9.646 -7.446 -25.107 793 HG21 THR 102 3HG2 THR 102 8.011 -5.058 -26.728 794 HG22 THR 102 1HG2 THR 102 6.535 -5.737 -26.046 795 HG23 THR 102 2HG2 THR 102 6.953 -6.049 -27.731 796 H TYR 103 H TYR 103 4.651 -7.989 -26.250 797 HA TYR 103 HA TYR 103 4.175 -6.544 -23.871 798 HB2 TYR 103 2HB TYR 103 2.590 -7.641 -26.066 799 HB3 TYR 103 3HB TYR 103 1.745 -7.694 -24.522 800 HD1 TYR 103 HD2 TYR 103 1.904 -5.434 -23.128 801 HD2 TYR 103 HD1 TYR 103 2.393 -5.731 -27.344 802 HE1 TYR 103 HE2 TYR 103 1.331 -3.053 -23.357 803 HE2 TYR 103 HE1 TYR 103 1.823 -3.350 -27.584 804 HH TYR 103 HH TYR 103 1.249 -1.480 -26.543 805 H LEU 104 H LEU 104 3.354 -9.911 -24.718 806 HA LEU 104 HA LEU 104 2.579 -10.575 -22.054 807 HB2 LEU 104 2HB LEU 104 2.648 -12.931 -22.944 808 HB3 LEU 104 3HB LEU 104 1.566 -11.815 -23.775 809 HG LEU 104 HG LEU 104 4.064 -11.774 -25.125 810 HD11 LEU 104 1HD1 LEU 104 4.649 -13.938 -25.523 811 HD12 LEU 104 2HD1 LEU 104 3.030 -14.556 -25.196 812 HD13 LEU 104 3HD1 LEU 104 4.084 -14.095 -23.859 813 HD21 LEU 104 3HD2 LEU 104 1.514 -13.108 -26.001 814 HD22 LEU 104 1HD2 LEU 104 2.749 -12.348 -27.005 815 HD23 LEU 104 2HD2 LEU 104 1.722 -11.357 -25.969 816 H ASP 105 H ASP 105 5.489 -11.093 -23.994 817 HA ASP 105 HA ASP 105 6.889 -12.770 -22.276 818 HB2 ASP 105 2HB ASP 105 7.428 -11.615 -24.677 819 HB3 ASP 105 3HB ASP 105 8.501 -10.697 -23.625 820 H LEU 106 H LEU 106 6.900 -9.214 -22.405 821 HA LEU 106 HA LEU 106 8.553 -9.006 -20.059 822 HB2 LEU 106 2HB LEU 106 8.103 -7.370 -22.155 823 HB3 LEU 106 3HB LEU 106 7.016 -6.657 -20.964 824 HG LEU 106 HG LEU 106 8.912 -6.349 -19.435 825 HD11 LEU 106 1HD1 LEU 106 10.416 -8.059 -19.961 826 HD12 LEU 106 2HD1 LEU 106 11.217 -6.587 -20.507 827 HD13 LEU 106 3HD1 LEU 106 10.428 -7.645 -21.676 828 HD21 LEU 106 3HD2 LEU 106 8.243 -4.824 -21.565 829 HD22 LEU 106 1HD2 LEU 106 9.953 -5.107 -21.889 830 HD23 LEU 106 2HD2 LEU 106 9.454 -4.373 -20.365 831 H ALA 107 H ALA 107 5.404 -9.815 -20.461 832 HA ALA 107 HA ALA 107 4.666 -8.709 -17.831 833 HB1 ALA 107 1HB ALA 107 2.485 -8.273 -18.513 834 HB2 ALA 107 2HB ALA 107 3.456 -7.753 -19.892 835 HB3 ALA 107 3HB ALA 107 2.620 -9.305 -19.937 836 H ARG 108 H ARG 108 5.943 -11.063 -17.837 837 HA ARG 108 HA ARG 108 4.185 -12.808 -16.554 838 HB2 ARG 108 2HB ARG 108 3.960 -13.000 -19.342 839 HB3 ARG 108 3HB ARG 108 4.928 -14.386 -18.860 840 HG2 ARG 108 2HG ARG 108 2.192 -13.657 -17.839 841 HG3 ARG 108 3HG ARG 108 2.606 -15.000 -18.907 842 HD2 ARG 108 2HD ARG 108 4.102 -15.842 -17.049 843 HD3 ARG 108 3HD ARG 108 3.340 -14.637 -16.012 844 HE ARG 108 HE ARG 108 1.444 -15.932 -15.940 845 HH11 ARG 108 1HH1 ARG 108 3.574 -17.112 -18.428 846 HH12 ARG 108 2HH1 ARG 108 2.666 -18.562 -18.700 847 HH21 ARG 108 1HH2 ARG 108 0.240 -17.838 -16.289 848 HH22 ARG 108 2HH2 ARG 108 0.769 -18.973 -17.483 849 H GLN 109 H GLN 109 7.008 -12.932 -18.726 850 HA GLN 109 HA GLN 109 8.346 -14.955 -17.263 851 HB2 GLN 109 2HB GLN 109 8.906 -14.592 -19.576 852 HB3 GLN 109 3HB GLN 109 9.356 -12.922 -19.255 853 HG2 GLN 109 2HG GLN 109 11.215 -13.718 -17.854 854 HG3 GLN 109 3HG GLN 109 10.782 -15.378 -18.259 855 HE21 GLN 109 1HE2 GLN 109 12.670 -12.765 -19.084 856 HE22 GLN 109 2HE2 GLN 109 13.142 -13.263 -20.669 857 H SER 110 H SER 110 8.342 -11.452 -17.101 858 HA SER 110 HA SER 110 10.608 -11.197 -15.409 859 HB2 SER 110 2HB SER 110 9.814 -9.300 -16.713 860 HB3 SER 110 3HB SER 110 8.270 -9.327 -15.861 861 HG SER 110 HG SER 110 9.398 -7.834 -14.778 862 H GLY 111 H GLY 111 7.263 -11.936 -14.858 863 HA2 GLY 111 2HA GLY 111 7.104 -11.225 -12.126 864 HA3 GLY 111 3HA GLY 111 6.069 -12.383 -12.948 Start of MODEL 14 1 H1 MET 1 H MET 1 9.167 -0.521 -6.089 2 HA MET 1 HA MET 1 11.752 -1.788 -5.539 3 HB2 MET 1 2HB MET 1 10.588 0.597 -4.120 4 HB3 MET 1 3HB MET 1 11.733 -0.474 -3.324 5 HG2 MET 1 2HG MET 1 13.431 0.035 -4.914 6 HG3 MET 1 3HG MET 1 12.291 0.916 -5.928 7 HE1 MET 1 3HE MET 1 15.054 1.974 -5.118 8 HE2 MET 1 1HE MET 1 15.122 3.134 -3.791 9 HE3 MET 1 2HE MET 1 15.119 1.403 -3.450 10 H SER 2 H SER 2 9.838 -3.454 -5.823 11 HA SER 2 HA SER 2 8.953 -4.124 -3.102 12 HB2 SER 2 2HB SER 2 7.286 -3.599 -5.437 13 HB3 SER 2 3HB SER 2 6.984 -5.193 -4.745 14 HG SER 2 HG SER 2 6.990 -2.751 -3.294 15 H LYS 3 H LYS 3 8.779 -6.344 -2.647 16 HA LYS 3 HA LYS 3 9.271 -8.366 -4.582 17 HB2 LYS 3 2HB LYS 3 11.569 -7.067 -3.767 18 HB3 LYS 3 3HB LYS 3 11.517 -8.475 -2.714 19 HG2 LYS 3 2HG LYS 3 10.933 -9.502 -5.211 20 HG3 LYS 3 3HG LYS 3 12.171 -8.284 -5.528 21 HD2 LYS 3 2HD LYS 3 13.517 -9.327 -3.675 22 HD3 LYS 3 3HD LYS 3 12.335 -10.638 -3.654 23 HE2 LYS 3 2HE LYS 3 13.968 -11.481 -5.054 24 HE3 LYS 3 3HE LYS 3 12.830 -10.774 -6.200 25 HZ1 LYS 3 3HZ LYS 3 15.084 -10.172 -6.765 26 HZ2 LYS 3 1HZ LYS 3 15.338 -9.514 -5.228 27 HZ3 LYS 3 2HZ LYS 3 14.232 -8.791 -6.285 28 H ASN 4 H ASN 4 9.311 -10.511 -3.646 29 HA ASN 4 HA ASN 4 8.467 -12.093 -2.246 30 HB2 ASN 4 2HB ASN 4 9.649 -10.192 -0.215 31 HB3 ASN 4 3HB ASN 4 9.012 -11.781 0.197 32 HD21 ASN 4 1HD2 ASN 4 11.500 -11.430 0.881 33 HD22 ASN 4 2HD2 ASN 4 12.599 -12.222 -0.191 34 H GLU 5 H GLU 5 6.698 -9.973 -3.118 35 HA GLU 5 HA GLU 5 4.979 -9.387 -0.861 36 HB2 GLU 5 2HB GLU 5 3.589 -8.204 -2.501 37 HB3 GLU 5 3HB GLU 5 5.270 -7.699 -2.598 38 HG2 GLU 5 2HG GLU 5 5.582 -9.174 -4.537 39 HG3 GLU 5 3HG GLU 5 3.878 -9.615 -4.455 40 H ARG 6 H ARG 6 5.046 -11.541 -3.631 41 HA ARG 6 HA ARG 6 3.076 -13.246 -2.407 42 HB2 ARG 6 2HB ARG 6 1.980 -11.319 -3.925 43 HB3 ARG 6 3HB ARG 6 2.327 -12.501 -5.179 44 HG2 ARG 6 2HG ARG 6 0.079 -12.805 -4.397 45 HG3 ARG 6 3HG ARG 6 1.058 -14.185 -3.894 46 HD2 ARG 6 2HD ARG 6 1.326 -12.440 -1.788 47 HD3 ARG 6 3HD ARG 6 -0.346 -12.193 -2.290 48 HE ARG 6 HE ARG 6 0.176 -14.950 -2.127 49 HH11 ARG 6 1HH1 ARG 6 -0.202 -12.158 -0.082 50 HH12 ARG 6 2HH1 ARG 6 -0.783 -13.068 1.273 51 HH21 ARG 6 1HH2 ARG 6 -0.589 -16.159 -0.350 52 HH22 ARG 6 2HH2 ARG 6 -1.002 -15.343 1.120 53 H ASP 7 H ASP 7 2.695 -15.228 -3.748 54 HA ASP 7 HA ASP 7 4.721 -15.783 -5.757 55 HB2 ASP 7 2HB ASP 7 5.804 -16.287 -3.568 56 HB3 ASP 7 3HB ASP 7 4.533 -17.464 -3.250 57 H THR 8 H THR 8 3.671 -16.728 -7.362 58 HA THR 8 HA THR 8 2.213 -18.018 -8.542 59 HB THR 8 HB THR 8 1.907 -20.196 -7.883 60 HG1 THR 8 HG1 THR 8 0.718 -20.429 -6.152 61 HG21 THR 8 3HG2 THR 8 3.986 -19.424 -5.843 62 HG22 THR 8 1HG2 THR 8 4.315 -19.479 -7.574 63 HG23 THR 8 2HG2 THR 8 3.838 -20.947 -6.720 64 H SER 9 H SER 9 1.264 -15.802 -6.752 65 HA SER 9 HA SER 9 -1.573 -16.592 -6.695 66 HB2 SER 9 2HB SER 9 0.033 -15.798 -4.487 67 HB3 SER 9 3HB SER 9 -1.107 -14.492 -4.809 68 HG SER 9 HG SER 9 -1.614 -16.667 -3.510 69 H PHE 10 H PHE 10 0.353 -13.614 -6.308 70 HA PHE 10 HA PHE 10 -1.280 -12.399 -8.438 71 HB2 PHE 10 2HB PHE 10 -0.147 -10.866 -6.102 72 HB3 PHE 10 3HB PHE 10 -1.359 -10.335 -7.262 73 HD1 PHE 10 HD2 PHE 10 -3.163 -12.673 -7.290 74 HD2 PHE 10 HD1 PHE 10 -1.223 -10.705 -4.052 75 HE1 PHE 10 HE2 PHE 10 -4.946 -13.424 -5.769 76 HE2 PHE 10 HE1 PHE 10 -3.002 -11.454 -2.526 77 HZ PHE 10 HZ PHE 10 -4.867 -12.814 -3.385 78 H ASN 11 H ASN 11 -0.148 -11.725 -10.128 79 HA ASN 11 HA ASN 11 2.752 -11.374 -9.826 80 HB2 ASN 11 2HB ASN 11 1.116 -12.642 -11.812 81 HB3 ASN 11 3HB ASN 11 2.022 -11.333 -12.565 82 HD21 ASN 11 1HD2 ASN 11 3.683 -12.212 -13.567 83 HD22 ASN 11 2HD2 ASN 11 4.775 -13.369 -12.894 84 H LYS 12 H LYS 12 2.778 -9.255 -9.071 85 HA LYS 12 HA LYS 12 1.349 -7.118 -10.232 86 HB2 LYS 12 2HB LYS 12 2.739 -5.673 -8.920 87 HB3 LYS 12 3HB LYS 12 2.398 -7.106 -7.959 88 HG2 LYS 12 2HG LYS 12 4.608 -7.020 -7.561 89 HG3 LYS 12 3HG LYS 12 4.703 -7.867 -9.107 90 HD2 LYS 12 2HD LYS 12 5.191 -5.855 -10.275 91 HD3 LYS 12 3HD LYS 12 4.796 -4.866 -8.867 92 HE2 LYS 12 2HE LYS 12 6.744 -6.524 -7.892 93 HE3 LYS 12 3HE LYS 12 7.271 -6.267 -9.554 94 HZ1 LYS 12 3HZ LYS 12 7.296 -3.931 -9.219 95 HZ2 LYS 12 1HZ LYS 12 8.135 -4.622 -7.922 96 HZ3 LYS 12 2HZ LYS 12 6.554 -4.063 -7.704 97 H ASN 13 H ASN 13 4.455 -8.573 -10.952 98 HA ASN 13 HA ASN 13 5.573 -6.587 -12.550 99 HB2 ASN 13 2HB ASN 13 6.872 -8.410 -13.602 100 HB3 ASN 13 3HB ASN 13 6.841 -8.545 -11.846 101 HD21 ASN 13 1HD2 ASN 13 5.953 -9.975 -14.837 102 HD22 ASN 13 2HD2 ASN 13 5.304 -11.442 -14.195 103 H GLY 14 H GLY 14 3.308 -9.178 -13.394 104 HA2 GLY 14 2HA GLY 14 3.275 -8.791 -16.167 105 HA3 GLY 14 3HA GLY 14 1.959 -9.477 -15.225 106 H CYS 15 H CYS 15 1.430 -7.197 -13.611 107 HA CYS 15 HA CYS 15 -0.295 -5.776 -15.364 108 HB2 CYS 15 2HB CYS 15 0.210 -5.910 -12.495 109 HB3 CYS 15 3HB CYS 15 -0.152 -4.275 -13.034 110 HG CYS 15 HG CYS 15 -2.157 -6.974 -13.667 111 H LEU 16 H LEU 16 2.705 -4.913 -13.681 112 HA LEU 16 HA LEU 16 2.826 -2.231 -14.460 113 HB2 LEU 16 2HB LEU 16 4.256 -3.085 -12.732 114 HB3 LEU 16 3HB LEU 16 5.022 -4.203 -13.859 115 HG LEU 16 HG LEU 16 5.780 -2.055 -15.095 116 HD11 LEU 16 1HD1 LEU 16 5.729 -0.776 -12.423 117 HD12 LEU 16 2HD1 LEU 16 4.240 -0.753 -13.367 118 HD13 LEU 16 3HD1 LEU 16 5.716 -0.051 -14.031 119 HD21 LEU 16 3HD2 LEU 16 7.727 -2.756 -14.300 120 HD22 LEU 16 1HD2 LEU 16 6.891 -3.641 -13.024 121 HD23 LEU 16 2HD2 LEU 16 7.390 -1.970 -12.756 122 H VAL 17 H VAL 17 4.189 -5.124 -16.008 123 HA VAL 17 HA VAL 17 5.357 -3.734 -18.188 124 HB VAL 17 HB VAL 17 5.591 -5.923 -19.249 125 HG11 VAL 17 1HG1 VAL 17 6.230 -5.778 -16.313 126 HG12 VAL 17 2HG1 VAL 17 6.803 -7.083 -17.354 127 HG13 VAL 17 3HG1 VAL 17 7.285 -5.417 -17.679 128 HG21 VAL 17 3HG2 VAL 17 4.741 -7.942 -18.089 129 HG22 VAL 17 1HG2 VAL 17 3.847 -6.893 -16.988 130 HG23 VAL 17 2HG2 VAL 17 3.456 -6.905 -18.708 131 H PHE 18 H PHE 18 2.214 -5.216 -17.653 132 HA PHE 18 HA PHE 18 1.268 -5.219 -20.283 133 HB2 PHE 18 2HB PHE 18 0.097 -6.381 -18.490 134 HB3 PHE 18 3HB PHE 18 -0.260 -4.849 -17.699 135 HD1 PHE 18 HD2 PHE 18 -0.891 -6.800 -20.786 136 HD2 PHE 18 HD1 PHE 18 -2.185 -3.648 -18.235 137 HE1 PHE 18 HE2 PHE 18 -2.992 -6.640 -22.056 138 HE2 PHE 18 HE1 PHE 18 -4.289 -3.484 -19.501 139 HZ PHE 18 HZ PHE 18 -4.694 -4.980 -21.415 140 H VAL 19 H VAL 19 0.800 -2.761 -17.743 141 HA VAL 19 HA VAL 19 -0.508 -0.907 -19.441 142 HB VAL 19 HB VAL 19 -0.074 0.745 -17.650 143 HG11 VAL 19 1HG1 VAL 19 -1.669 -0.114 -16.259 144 HG12 VAL 19 2HG1 VAL 19 -1.850 -1.214 -17.627 145 HG13 VAL 19 3HG1 VAL 19 -0.925 -1.711 -16.210 146 HG21 VAL 19 3HG2 VAL 19 0.992 -0.119 -15.545 147 HG22 VAL 19 1HG2 VAL 19 1.554 -1.503 -16.482 148 HG23 VAL 19 2HG2 VAL 19 2.098 0.123 -16.898 149 H SER 20 H SER 20 2.855 -1.339 -18.460 150 HA SER 20 HA SER 20 3.925 1.029 -19.462 151 HB2 SER 20 2HB SER 20 4.964 -1.629 -18.727 152 HB3 SER 20 3HB SER 20 5.949 -0.754 -19.898 153 HG SER 20 HG SER 20 6.502 -0.291 -17.701 154 H ARG 21 H ARG 21 3.491 -2.107 -21.075 155 HA ARG 21 HA ARG 21 4.597 -1.331 -23.551 156 HB2 ARG 21 2HB ARG 21 2.986 -3.593 -22.537 157 HB3 ARG 21 3HB ARG 21 2.868 -3.288 -24.265 158 HG2 ARG 21 2HG ARG 21 4.589 -4.848 -24.049 159 HG3 ARG 21 3HG ARG 21 5.415 -3.305 -24.274 160 HD2 ARG 21 2HD ARG 21 5.249 -3.320 -21.605 161 HD3 ARG 21 3HD ARG 21 5.268 -5.059 -21.894 162 HE ARG 21 HE ARG 21 7.465 -4.902 -22.547 163 HH11 ARG 21 1HH1 ARG 21 6.076 -1.717 -22.339 164 HH12 ARG 21 2HH1 ARG 21 7.594 -0.901 -22.521 165 HH21 ARG 21 1HH2 ARG 21 9.469 -3.840 -22.787 166 HH22 ARG 21 2HH2 ARG 21 9.523 -2.110 -22.777 167 H LEU 22 H LEU 22 1.327 -1.183 -22.249 168 HA LEU 22 HA LEU 22 -0.040 -0.537 -24.602 169 HB2 LEU 22 2HB LEU 22 -0.535 -0.324 -21.714 170 HB3 LEU 22 3HB LEU 22 -1.435 0.820 -22.708 171 HG LEU 22 HG LEU 22 -1.573 -1.918 -23.706 172 HD11 LEU 22 1HD1 LEU 22 -1.486 -1.949 -21.044 173 HD12 LEU 22 2HD1 LEU 22 -2.543 -3.011 -21.974 174 HD13 LEU 22 3HD1 LEU 22 -3.188 -1.535 -21.255 175 HD21 LEU 22 3HD2 LEU 22 -3.580 0.204 -22.962 176 HD22 LEU 22 1HD2 LEU 22 -3.999 -1.349 -23.684 177 HD23 LEU 22 2HD2 LEU 22 -2.999 -0.204 -24.578 178 H TRP 23 H TRP 23 1.448 1.573 -22.163 179 HA TRP 23 HA TRP 23 0.716 4.031 -23.229 180 HB2 TRP 23 2HB TRP 23 3.173 3.196 -21.687 181 HB3 TRP 23 3HB TRP 23 2.841 4.872 -22.114 182 HD1 TRP 23 HD1 TRP 23 -0.424 4.421 -21.524 183 HE1 TRP 23 HE1 TRP 23 -1.160 4.524 -19.059 184 HE3 TRP 23 HE3 TRP 23 4.095 3.568 -19.290 185 HZ2 TRP 23 HZ2 TRP 23 0.019 4.278 -16.507 186 HZ3 TRP 23 HZ3 TRP 23 4.205 3.518 -16.833 187 HH2 TRP 23 HH2 TRP 23 2.208 3.866 -15.472 188 H ASP 24 H ASP 24 3.354 1.878 -24.114 189 HA ASP 24 HA ASP 24 4.583 3.734 -25.918 190 HB2 ASP 24 2HB ASP 24 5.293 1.285 -24.761 191 HB3 ASP 24 3HB ASP 24 5.197 0.963 -26.490 192 H LEU 25 H LEU 25 2.241 1.130 -26.188 193 HA LEU 25 HA LEU 25 2.226 0.884 -28.987 194 HB2 LEU 25 2HB LEU 25 1.183 -0.830 -27.790 195 HB3 LEU 25 3HB LEU 25 0.214 0.298 -26.845 196 HG LEU 25 HG LEU 25 -1.061 0.814 -28.945 197 HD11 LEU 25 1HD1 LEU 25 0.401 0.149 -30.664 198 HD12 LEU 25 2HD1 LEU 25 -0.917 -1.022 -30.688 199 HD13 LEU 25 3HD1 LEU 25 0.630 -1.452 -29.961 200 HD21 LEU 25 3HD2 LEU 25 -1.537 -2.035 -28.690 201 HD22 LEU 25 1HD2 LEU 25 -2.565 -0.672 -28.246 202 HD23 LEU 25 2HD2 LEU 25 -1.333 -1.250 -27.123 203 H ASP 26 H ASP 26 0.113 2.778 -26.835 204 HA ASP 26 HA ASP 26 -1.198 4.072 -29.041 205 HB2 ASP 26 2HB ASP 26 -2.066 5.556 -27.072 206 HB3 ASP 26 3HB ASP 26 -2.611 3.887 -27.209 207 H LYS 27 H LYS 27 0.347 5.160 -30.226 208 HA LYS 27 HA LYS 27 2.411 6.747 -29.266 209 HB2 LYS 27 2HB LYS 27 1.169 6.229 -31.790 210 HB3 LYS 27 3HB LYS 27 1.416 7.963 -31.634 211 HG2 LYS 27 2HG LYS 27 3.815 7.079 -30.803 212 HG3 LYS 27 3HG LYS 27 3.377 5.786 -31.922 213 HD2 LYS 27 2HD LYS 27 3.499 7.136 -33.742 214 HD3 LYS 27 3HD LYS 27 2.926 8.555 -32.861 215 HE2 LYS 27 2HE LYS 27 5.008 9.267 -32.538 216 HE3 LYS 27 3HE LYS 27 5.486 7.713 -31.855 217 HZ1 LYS 27 3HZ LYS 27 6.329 7.007 -33.814 218 HZ2 LYS 27 1HZ LYS 27 6.515 8.666 -34.088 219 HZ3 LYS 27 2HZ LYS 27 5.196 7.843 -34.752 220 H LEU 28 H LEU 28 -0.991 7.438 -29.558 221 HA LEU 28 HA LEU 28 -0.865 10.250 -29.371 222 HB2 LEU 28 2HB LEU 28 -3.098 10.152 -29.448 223 HB3 LEU 28 3HB LEU 28 -2.841 8.441 -29.781 224 HG LEU 28 HG LEU 28 -2.956 8.280 -27.141 225 HD11 LEU 28 1HD1 LEU 28 -4.071 9.919 -26.037 226 HD12 LEU 28 2HD1 LEU 28 -4.982 10.417 -27.463 227 HD13 LEU 28 3HD1 LEU 28 -3.300 10.913 -27.274 228 HD21 LEU 28 3HD2 LEU 28 -4.415 7.118 -28.718 229 HD22 LEU 28 1HD2 LEU 28 -5.378 8.583 -28.915 230 HD23 LEU 28 2HD2 LEU 28 -5.332 7.761 -27.355 231 H GLY 29 H GLY 29 -0.564 7.723 -27.018 232 HA2 GLY 29 2HA GLY 29 0.412 8.033 -24.893 233 HA3 GLY 29 3HA GLY 29 -0.002 9.739 -24.977 234 H MET 30 H MET 30 -2.310 10.294 -24.757 235 HA MET 30 HA MET 30 -3.438 8.925 -22.517 236 HB2 MET 30 2HB MET 30 -3.613 11.368 -22.800 237 HB3 MET 30 3HB MET 30 -4.613 11.125 -24.226 238 HG2 MET 30 2HG MET 30 -6.127 9.776 -22.598 239 HG3 MET 30 3HG MET 30 -5.273 10.685 -21.354 240 HE1 MET 30 3HE MET 30 -5.665 13.466 -21.009 241 HE2 MET 30 1HE MET 30 -7.424 13.583 -20.978 242 HE3 MET 30 2HE MET 30 -6.623 12.168 -20.295 243 H PHE 31 H PHE 31 -3.597 6.817 -23.654 244 HA PHE 31 HA PHE 31 -6.178 6.616 -25.056 245 HB2 PHE 31 2HB PHE 31 -4.044 6.260 -26.478 246 HB3 PHE 31 3HB PHE 31 -3.901 4.732 -25.614 247 HD1 PHE 31 HD1 PHE 31 -6.862 6.536 -26.978 248 HD2 PHE 31 HD2 PHE 31 -4.440 3.037 -27.072 249 HE1 PHE 31 HE1 PHE 31 -8.430 5.498 -28.565 250 HE2 PHE 31 HE2 PHE 31 -6.004 1.994 -28.660 251 HZ PHE 31 HZ PHE 31 -8.001 3.224 -29.409 252 H HIS 32 H HIS 32 -7.592 5.478 -23.924 253 HA HIS 32 HA HIS 32 -7.098 2.920 -22.876 254 HB2 HIS 32 2HB HIS 32 -7.456 3.581 -20.418 255 HB3 HIS 32 3HB HIS 32 -5.853 3.829 -21.102 256 HD1 HIS 32 HD1 HIS 32 -4.929 6.159 -21.031 257 HD2 HIS 32 HD2 HIS 32 -8.988 6.025 -20.151 258 HE1 HIS 32 HE1 HIS 32 -5.528 8.478 -20.264 259 H HIS 33 H HIS 33 -9.047 3.542 -24.467 260 HA HIS 33 HA HIS 33 -11.423 3.207 -22.848 261 HB2 HIS 33 2HB HIS 33 -12.658 5.047 -23.735 262 HB3 HIS 33 3HB HIS 33 -11.131 5.698 -23.145 263 HD1 HIS 33 HD1 HIS 33 -13.228 6.497 -25.667 264 HD2 HIS 33 HD2 HIS 33 -9.252 5.293 -25.738 265 HE1 HIS 33 HE1 HIS 33 -12.309 7.341 -27.850 266 HA PRO 34 HA PRO 34 -12.592 0.585 -26.168 267 HB2 PRO 34 2HB PRO 34 -15.298 0.689 -25.977 268 HB3 PRO 34 3HB PRO 34 -14.285 -0.170 -24.811 269 HG2 PRO 34 2HG PRO 34 -15.514 2.552 -24.608 270 HG3 PRO 34 3HG PRO 34 -15.411 1.276 -23.381 271 HD2 PRO 34 2HD PRO 34 -13.733 3.401 -23.418 272 HD3 PRO 34 3HD PRO 34 -13.233 1.799 -22.839 273 H VAL 35 H VAL 35 -13.246 0.609 -28.304 274 HA VAL 35 HA VAL 35 -13.376 3.151 -29.581 275 HB VAL 35 HB VAL 35 -12.313 1.296 -30.714 276 HG11 VAL 35 1HG1 VAL 35 -14.481 -0.184 -29.770 277 HG12 VAL 35 2HG1 VAL 35 -14.645 -0.189 -31.528 278 HG13 VAL 35 3HG1 VAL 35 -13.154 -0.761 -30.778 279 HG21 VAL 35 3HG2 VAL 35 -14.839 2.161 -32.118 280 HG22 VAL 35 1HG2 VAL 35 -13.301 3.023 -32.110 281 HG23 VAL 35 2HG2 VAL 35 -13.427 1.451 -32.899 282 H SER 36 H SER 36 -15.071 4.144 -30.643 283 HA SER 36 HA SER 36 -17.687 3.604 -29.577 284 HB2 SER 36 2HB SER 36 -16.849 5.621 -31.674 285 HB3 SER 36 3HB SER 36 -18.377 5.606 -30.795 286 HG SER 36 HG SER 36 -17.368 6.241 -28.989 287 H ALA 37 H ALA 37 -19.470 2.828 -30.628 288 HA ALA 37 HA ALA 37 -19.121 0.969 -32.689 289 HB1 ALA 37 1HB ALA 37 -21.802 2.185 -32.309 290 HB2 ALA 37 2HB ALA 37 -21.334 0.489 -32.441 291 HB3 ALA 37 3HB ALA 37 -21.065 1.363 -30.933 292 H GLU 38 H GLU 38 -20.020 4.363 -32.763 293 HA GLU 38 HA GLU 38 -21.040 4.618 -35.310 294 HB2 GLU 38 2HB GLU 38 -20.241 6.936 -35.259 295 HB3 GLU 38 3HB GLU 38 -20.958 6.471 -33.723 296 HG2 GLU 38 2HG GLU 38 -18.502 5.924 -33.058 297 HG3 GLU 38 3HG GLU 38 -18.104 6.998 -34.398 298 H GLU 39 H GLU 39 -17.664 4.415 -34.301 299 HA GLU 39 HA GLU 39 -16.759 4.645 -37.062 300 HB2 GLU 39 2HB GLU 39 -15.051 4.162 -34.624 301 HB3 GLU 39 3HB GLU 39 -14.546 4.789 -36.187 302 HG2 GLU 39 2HG GLU 39 -16.040 6.771 -35.734 303 HG3 GLU 39 3HG GLU 39 -16.185 6.168 -34.084 304 H LEU 40 H LEU 40 -17.207 2.256 -34.566 305 HA LEU 40 HA LEU 40 -16.428 0.175 -36.486 306 HB2 LEU 40 2HB LEU 40 -14.714 0.686 -34.623 307 HB3 LEU 40 3HB LEU 40 -15.864 -0.120 -33.559 308 HG LEU 40 HG LEU 40 -15.649 -2.170 -34.878 309 HD11 LEU 40 1HD1 LEU 40 -15.160 -1.583 -37.050 310 HD12 LEU 40 2HD1 LEU 40 -13.592 -2.146 -36.473 311 HD13 LEU 40 3HD1 LEU 40 -13.925 -0.418 -36.572 312 HD21 LEU 40 3HD2 LEU 40 -13.733 -1.034 -33.173 313 HD22 LEU 40 1HD2 LEU 40 -12.832 -1.804 -34.479 314 HD23 LEU 40 2HD2 LEU 40 -13.983 -2.744 -33.529 315 HA PRO 41 HA PRO 41 -20.677 -0.570 -34.817 316 HB2 PRO 41 2HB PRO 41 -21.732 -1.284 -37.214 317 HB3 PRO 41 3HB PRO 41 -21.625 0.396 -36.674 318 HG2 PRO 41 2HG PRO 41 -19.831 -1.114 -38.536 319 HG3 PRO 41 3HG PRO 41 -20.457 0.539 -38.679 320 HD2 PRO 41 2HD PRO 41 -17.946 0.001 -37.819 321 HD3 PRO 41 3HD PRO 41 -18.876 1.397 -37.237 322 H ASP 42 H ASP 42 -18.315 -2.388 -36.536 323 HA ASP 42 HA ASP 42 -19.694 -4.899 -35.848 324 HB2 ASP 42 2HB ASP 42 -18.622 -5.967 -37.656 325 HB3 ASP 42 3HB ASP 42 -19.122 -4.404 -38.296 326 H TYR 43 H TYR 43 -17.851 -3.076 -34.250 327 HA TYR 43 HA TYR 43 -15.347 -4.172 -33.863 328 HB2 TYR 43 2HB TYR 43 -15.317 -3.097 -31.741 329 HB3 TYR 43 3HB TYR 43 -16.305 -2.087 -32.791 330 HD1 TYR 43 HD2 TYR 43 -18.886 -2.550 -32.688 331 HD2 TYR 43 HD1 TYR 43 -16.128 -3.679 -29.651 332 HE1 TYR 43 HE2 TYR 43 -20.728 -2.655 -31.062 333 HE2 TYR 43 HE1 TYR 43 -17.963 -3.788 -28.017 334 HH TYR 43 HH TYR 43 -21.307 -3.039 -28.958 335 H HIS 44 H HIS 44 -18.461 -5.293 -32.705 336 HA HIS 44 HA HIS 44 -17.521 -7.178 -30.828 337 HB2 HIS 44 2HB HIS 44 -19.970 -6.245 -31.473 338 HB3 HIS 44 3HB HIS 44 -20.020 -7.803 -32.292 339 HD1 HIS 44 HD1 HIS 44 -20.305 -9.867 -30.857 340 HD2 HIS 44 HD2 HIS 44 -19.697 -6.412 -28.631 341 HE1 HIS 44 HE1 HIS 44 -20.769 -10.514 -28.472 342 H THR 45 H THR 45 -18.156 -7.369 -34.289 343 HA THR 45 HA THR 45 -17.535 -10.201 -34.374 344 HB THR 45 HB THR 45 -18.024 -10.104 -36.725 345 HG1 THR 45 HG1 THR 45 -17.810 -7.304 -36.336 346 HG21 THR 45 3HG2 THR 45 -20.201 -10.060 -36.263 347 HG22 THR 45 1HG2 THR 45 -20.170 -8.300 -36.157 348 HG23 THR 45 2HG2 THR 45 -19.840 -9.276 -34.725 349 H VAL 46 H VAL 46 -15.805 -7.317 -34.419 350 HA VAL 46 HA VAL 46 -13.646 -8.336 -36.094 351 HB VAL 46 HB VAL 46 -13.896 -5.707 -34.625 352 HG11 VAL 46 1HG1 VAL 46 -12.043 -5.207 -36.459 353 HG12 VAL 46 2HG1 VAL 46 -11.634 -5.837 -34.861 354 HG13 VAL 46 3HG1 VAL 46 -11.730 -6.929 -36.243 355 HG21 VAL 46 3HG2 VAL 46 -13.860 -5.639 -37.530 356 HG22 VAL 46 1HG2 VAL 46 -15.229 -6.551 -36.892 357 HG23 VAL 46 2HG2 VAL 46 -14.976 -4.878 -36.395 358 H ILE 47 H ILE 47 -14.056 -7.132 -32.764 359 HA ILE 47 HA ILE 47 -11.738 -8.781 -31.991 360 HB ILE 47 HB ILE 47 -11.463 -7.131 -30.086 361 HG12 ILE 47 2HG1 ILE 47 -13.251 -5.464 -31.869 362 HG13 ILE 47 3HG1 ILE 47 -13.662 -6.060 -30.264 363 HG21 ILE 47 1HG2 ILE 47 -10.073 -5.688 -31.361 364 HG22 ILE 47 2HG2 ILE 47 -10.052 -7.258 -32.161 365 HG23 ILE 47 3HG2 ILE 47 -11.031 -5.947 -32.819 366 HD11 ILE 47 3HD1 ILE 47 -11.214 -4.612 -30.115 367 HD12 ILE 47 1HD1 ILE 47 -12.418 -3.637 -30.959 368 HD13 ILE 47 2HD1 ILE 47 -12.763 -4.265 -29.347 369 H LYS 48 H LYS 48 -14.978 -7.734 -31.242 370 HA LYS 48 HA LYS 48 -16.598 -8.719 -29.967 371 HB2 LYS 48 2HB LYS 48 -14.961 -10.824 -30.520 372 HB3 LYS 48 3HB LYS 48 -14.870 -10.785 -28.764 373 HG2 LYS 48 2HG LYS 48 -17.107 -11.273 -28.502 374 HG3 LYS 48 3HG LYS 48 -17.531 -10.685 -30.111 375 HD2 LYS 48 2HD LYS 48 -15.682 -12.998 -29.953 376 HD3 LYS 48 3HD LYS 48 -17.370 -13.283 -29.525 377 HE2 LYS 48 2HE LYS 48 -17.133 -11.696 -31.933 378 HE3 LYS 48 3HE LYS 48 -16.273 -13.228 -32.082 379 HZ1 LYS 48 3HZ LYS 48 -18.919 -12.890 -32.480 380 HZ2 LYS 48 1HZ LYS 48 -18.883 -13.468 -30.891 381 HZ3 LYS 48 2HZ LYS 48 -18.175 -14.369 -32.134 382 H ARG 49 H ARG 49 -13.505 -9.138 -28.230 383 HA ARG 49 HA ARG 49 -14.734 -7.832 -25.901 384 HB2 ARG 49 2HB ARG 49 -13.235 -10.184 -26.122 385 HB3 ARG 49 3HB ARG 49 -12.139 -9.014 -25.400 386 HG2 ARG 49 2HG ARG 49 -13.085 -9.792 -23.503 387 HG3 ARG 49 3HG ARG 49 -14.279 -8.551 -23.885 388 HD2 ARG 49 2HD ARG 49 -15.356 -10.663 -23.306 389 HD3 ARG 49 3HD ARG 49 -15.676 -10.222 -24.983 390 HE ARG 49 HE ARG 49 -13.424 -11.984 -24.630 391 HH11 ARG 49 1HH1 ARG 49 -16.867 -11.765 -25.096 392 HH12 ARG 49 2HH1 ARG 49 -17.009 -13.356 -25.767 393 HH21 ARG 49 1HH2 ARG 49 -13.598 -14.080 -25.511 394 HH22 ARG 49 2HH2 ARG 49 -15.149 -14.673 -26.002 395 HA PRO 50 HA PRO 50 -12.037 -4.476 -27.369 396 HB2 PRO 50 2HB PRO 50 -13.433 -2.524 -26.099 397 HB3 PRO 50 3HB PRO 50 -13.915 -3.186 -27.665 398 HG2 PRO 50 2HG PRO 50 -14.953 -3.837 -24.934 399 HG3 PRO 50 3HG PRO 50 -15.852 -3.588 -26.442 400 HD2 PRO 50 2HD PRO 50 -15.305 -6.052 -25.461 401 HD3 PRO 50 3HD PRO 50 -15.413 -5.720 -27.202 402 H VAL 51 H VAL 51 -11.421 -2.396 -25.834 403 HA VAL 51 HA VAL 51 -10.574 -3.478 -23.232 404 HB VAL 51 HB VAL 51 -8.657 -3.636 -24.721 405 HG11 VAL 51 1HG1 VAL 51 -9.471 -1.790 -26.247 406 HG12 VAL 51 2HG1 VAL 51 -8.786 -0.653 -25.085 407 HG13 VAL 51 3HG1 VAL 51 -7.741 -1.810 -25.909 408 HG21 VAL 51 3HG2 VAL 51 -8.476 -2.857 -22.287 409 HG22 VAL 51 1HG2 VAL 51 -7.079 -2.605 -23.333 410 HG23 VAL 51 2HG2 VAL 51 -8.154 -1.258 -22.958 411 H ASP 52 H ASP 52 -10.906 -2.152 -21.559 412 HA ASP 52 HA ASP 52 -11.206 0.724 -22.048 413 HB2 ASP 52 2HB ASP 52 -13.474 -0.105 -22.049 414 HB3 ASP 52 3HB ASP 52 -13.186 -1.018 -20.569 415 H LEU 53 H LEU 53 -10.915 2.042 -20.162 416 HA LEU 53 HA LEU 53 -8.870 1.053 -18.437 417 HB2 LEU 53 2HB LEU 53 -9.094 3.410 -19.287 418 HB3 LEU 53 3HB LEU 53 -10.421 3.617 -18.146 419 HG LEU 53 HG LEU 53 -8.758 3.037 -16.321 420 HD11 LEU 53 1HD1 LEU 53 -6.635 3.819 -18.266 421 HD12 LEU 53 2HD1 LEU 53 -7.131 2.132 -18.144 422 HD13 LEU 53 3HD1 LEU 53 -6.494 2.968 -16.728 423 HD21 LEU 53 3HD2 LEU 53 -7.538 5.415 -16.995 424 HD22 LEU 53 1HD2 LEU 53 -9.051 5.236 -16.106 425 HD23 LEU 53 2HD2 LEU 53 -9.079 5.487 -17.852 426 H SER 54 H SER 54 -12.274 1.930 -17.990 427 HA SER 54 HA SER 54 -12.333 1.467 -15.197 428 HB2 SER 54 2HB SER 54 -14.153 2.341 -17.192 429 HB3 SER 54 3HB SER 54 -14.907 0.980 -16.362 430 HG SER 54 HG SER 54 -15.224 2.239 -14.723 431 H SER 55 H SER 55 -12.947 -0.576 -18.000 432 HA SER 55 HA SER 55 -14.059 -2.780 -16.681 433 HB2 SER 55 2HB SER 55 -14.069 -2.504 -19.137 434 HB3 SER 55 3HB SER 55 -12.328 -2.781 -19.166 435 HG SER 55 HG SER 55 -12.942 -4.786 -19.410 436 H ILE 56 H ILE 56 -10.674 -2.122 -17.557 437 HA ILE 56 HA ILE 56 -9.661 -4.470 -16.307 438 HB ILE 56 HB ILE 56 -8.225 -1.932 -17.093 439 HG12 ILE 56 2HG1 ILE 56 -8.323 -4.591 -18.526 440 HG13 ILE 56 3HG1 ILE 56 -9.371 -3.234 -18.925 441 HG21 ILE 56 1HG2 ILE 56 -6.952 -3.129 -15.428 442 HG22 ILE 56 2HG2 ILE 56 -7.146 -4.637 -16.319 443 HG23 ILE 56 3HG2 ILE 56 -6.188 -3.326 -17.005 444 HD11 ILE 56 3HD1 ILE 56 -7.807 -2.398 -20.235 445 HD12 ILE 56 1HD1 ILE 56 -6.684 -2.314 -18.878 446 HD13 ILE 56 2HD1 ILE 56 -6.771 -3.775 -19.862 447 H ARG 57 H ARG 57 -9.750 -1.048 -15.350 448 HA ARG 57 HA ARG 57 -8.375 -1.215 -12.956 449 HB2 ARG 57 2HB ARG 57 -9.139 0.892 -14.020 450 HB3 ARG 57 3HB ARG 57 -10.784 0.520 -13.523 451 HG2 ARG 57 2HG ARG 57 -8.676 0.593 -11.434 452 HG3 ARG 57 3HG ARG 57 -9.234 2.121 -12.118 453 HD2 ARG 57 2HD ARG 57 -11.481 0.442 -11.535 454 HD3 ARG 57 3HD ARG 57 -10.453 0.573 -10.108 455 HE ARG 57 HE ARG 57 -12.127 2.595 -11.182 456 HH11 ARG 57 1HH1 ARG 57 -9.060 2.095 -9.612 457 HH12 ARG 57 2HH1 ARG 57 -9.020 3.674 -8.899 458 HH21 ARG 57 1HH2 ARG 57 -12.086 4.676 -10.249 459 HH22 ARG 57 2HH2 ARG 57 -10.742 5.140 -9.261 460 H ASP 58 H ASP 58 -11.766 -1.920 -13.634 461 HA ASP 58 HA ASP 58 -12.487 -2.366 -10.910 462 HB2 ASP 58 2HB ASP 58 -14.106 -1.768 -12.721 463 HB3 ASP 58 3HB ASP 58 -13.881 -3.380 -13.395 464 H GLY 59 H GLY 59 -11.384 -4.414 -13.556 465 HA2 GLY 59 2HA GLY 59 -11.919 -6.915 -12.400 466 HA3 GLY 59 3HA GLY 59 -10.677 -6.596 -13.601 467 H ILE 60 H ILE 60 -8.962 -4.940 -12.275 468 HA ILE 60 HA ILE 60 -7.504 -6.765 -10.677 469 HB ILE 60 HB ILE 60 -7.160 -3.834 -11.254 470 HG12 ILE 60 2HG1 ILE 60 -4.927 -4.998 -12.136 471 HG13 ILE 60 3HG1 ILE 60 -5.984 -6.404 -12.200 472 HG21 ILE 60 1HG2 ILE 60 -6.318 -4.027 -9.050 473 HG22 ILE 60 2HG2 ILE 60 -5.542 -5.569 -9.406 474 HG23 ILE 60 3HG2 ILE 60 -4.919 -4.083 -10.121 475 HD11 ILE 60 3HD1 ILE 60 -7.452 -5.322 -13.722 476 HD12 ILE 60 1HD1 ILE 60 -6.625 -3.779 -13.514 477 HD13 ILE 60 2HD1 ILE 60 -5.808 -5.115 -14.324 478 H GLU 61 H GLU 61 -9.516 -3.963 -9.908 479 HA GLU 61 HA GLU 61 -8.933 -3.840 -7.159 480 HB2 GLU 61 2HB GLU 61 -10.000 -1.967 -8.179 481 HB3 GLU 61 3HB GLU 61 -11.333 -2.957 -8.756 482 HG2 GLU 61 2HG GLU 61 -12.462 -2.731 -6.856 483 HG3 GLU 61 3HG GLU 61 -11.039 -3.064 -5.871 484 H LYS 62 H LYS 62 -11.248 -5.732 -9.001 485 HA LYS 62 HA LYS 62 -12.606 -6.747 -6.680 486 HB2 LYS 62 2HB LYS 62 -12.652 -7.638 -9.569 487 HB3 LYS 62 3HB LYS 62 -13.701 -8.278 -8.311 488 HG2 LYS 62 2HG LYS 62 -14.917 -6.318 -8.144 489 HG3 LYS 62 3HG LYS 62 -13.635 -5.342 -8.865 490 HD2 LYS 62 2HD LYS 62 -14.285 -5.816 -10.979 491 HD3 LYS 62 3HD LYS 62 -14.744 -7.473 -10.577 492 HE2 LYS 62 2HE LYS 62 -16.758 -6.543 -9.422 493 HE3 LYS 62 3HE LYS 62 -16.322 -4.957 -10.058 494 HZ1 LYS 62 3HZ LYS 62 -16.955 -5.515 -12.138 495 HZ2 LYS 62 1HZ LYS 62 -17.958 -6.601 -11.316 496 HZ3 LYS 62 2HZ LYS 62 -16.499 -7.137 -11.983 497 H GLY 63 H GLY 63 -9.826 -7.630 -8.542 498 HA2 GLY 63 2HA GLY 63 -8.161 -9.116 -7.789 499 HA3 GLY 63 3HA GLY 63 -9.336 -9.848 -6.706 500 H THR 64 H THR 64 -10.083 -9.291 -10.060 501 HA THR 64 HA THR 64 -11.020 -11.793 -10.633 502 HB THR 64 HB THR 64 -11.348 -9.953 -12.176 503 HG1 THR 64 HG1 THR 64 -11.446 -11.326 -13.789 504 HG21 THR 64 3HG2 THR 64 -8.519 -10.214 -13.134 505 HG22 THR 64 1HG2 THR 64 -8.925 -9.117 -11.815 506 HG23 THR 64 2HG2 THR 64 -9.667 -8.903 -13.401 507 H TYR 65 H TYR 65 -7.684 -10.651 -10.885 508 HA TYR 65 HA TYR 65 -6.537 -12.817 -12.181 509 HB2 TYR 65 2HB TYR 65 -4.450 -12.169 -10.837 510 HB3 TYR 65 3HB TYR 65 -5.164 -10.932 -11.865 511 HD1 TYR 65 HD2 TYR 65 -4.791 -12.075 -8.373 512 HD2 TYR 65 HD1 TYR 65 -6.050 -8.924 -10.941 513 HE1 TYR 65 HE2 TYR 65 -4.951 -10.567 -6.437 514 HE2 TYR 65 HE1 TYR 65 -6.212 -7.408 -9.012 515 HH TYR 65 HH TYR 65 -6.295 -8.415 -5.884 516 H ALA 66 H ALA 66 -6.250 -14.879 -11.664 517 HA ALA 66 HA ALA 66 -6.653 -15.688 -8.864 518 HB1 ALA 66 1HB ALA 66 -6.918 -17.367 -11.356 519 HB2 ALA 66 2HB ALA 66 -7.297 -17.865 -9.706 520 HB3 ALA 66 3HB ALA 66 -8.256 -16.610 -10.490 521 H THR 67 H THR 67 -4.471 -15.840 -11.580 522 HA THR 67 HA THR 67 -2.232 -16.423 -9.965 523 HB THR 67 HB THR 67 -2.076 -18.692 -11.616 524 HG1 THR 67 HG1 THR 67 -4.028 -19.768 -10.542 525 HG21 THR 67 3HG2 THR 67 -2.295 -18.128 -8.702 526 HG22 THR 67 1HG2 THR 67 -0.991 -18.894 -9.607 527 HG23 THR 67 2HG2 THR 67 -2.459 -19.799 -9.240 528 H ASP 68 H ASP 68 -0.382 -17.352 -11.578 529 HA ASP 68 HA ASP 68 0.114 -15.286 -13.400 530 HB2 ASP 68 2HB ASP 68 1.373 -18.026 -13.532 531 HB3 ASP 68 3HB ASP 68 2.074 -16.489 -14.031 532 H VAL 69 H VAL 69 -1.483 -18.358 -13.782 533 HA VAL 69 HA VAL 69 -1.375 -18.477 -16.619 534 HB VAL 69 HB VAL 69 -3.309 -19.769 -14.691 535 HG11 VAL 69 1HG1 VAL 69 -3.363 -19.596 -17.551 536 HG12 VAL 69 2HG1 VAL 69 -3.097 -21.269 -17.057 537 HG13 VAL 69 3HG1 VAL 69 -4.502 -20.385 -16.460 538 HG21 VAL 69 3HG2 VAL 69 -1.885 -21.806 -15.336 539 HG22 VAL 69 1HG2 VAL 69 -0.704 -20.626 -15.905 540 HG23 VAL 69 2HG2 VAL 69 -1.194 -20.638 -14.211 541 H ASP 70 H ASP 70 -3.919 -17.446 -14.352 542 HA ASP 70 HA ASP 70 -5.803 -16.700 -16.296 543 HB2 ASP 70 2HB ASP 70 -5.777 -16.826 -13.557 544 HB3 ASP 70 3HB ASP 70 -5.830 -15.089 -13.840 545 H VAL 71 H VAL 71 -3.231 -14.871 -14.702 546 HA VAL 71 HA VAL 71 -3.896 -12.350 -15.798 547 HB VAL 71 HB VAL 71 -1.257 -13.400 -14.772 548 HG11 VAL 71 1HG1 VAL 71 -0.476 -11.625 -15.958 549 HG12 VAL 71 2HG1 VAL 71 -2.026 -10.782 -15.932 550 HG13 VAL 71 3HG1 VAL 71 -0.988 -10.766 -14.505 551 HG21 VAL 71 3HG2 VAL 71 -2.159 -13.113 -12.762 552 HG22 VAL 71 1HG2 VAL 71 -2.359 -11.398 -13.119 553 HG23 VAL 71 2HG2 VAL 71 -3.659 -12.533 -13.486 554 H GLN 72 H GLN 72 -1.651 -14.892 -16.832 555 HA GLN 72 HA GLN 72 -0.547 -13.513 -19.018 556 HB2 GLN 72 2HB GLN 72 0.563 -15.466 -18.204 557 HB3 GLN 72 3HB GLN 72 -0.866 -16.459 -18.455 558 HG2 GLN 72 2HG GLN 72 0.329 -15.102 -20.809 559 HG3 GLN 72 3HG GLN 72 1.166 -16.496 -20.128 560 HE21 GLN 72 1HE2 GLN 72 -0.676 -15.762 -22.568 561 HE22 GLN 72 2HE2 GLN 72 -1.674 -17.166 -22.699 562 H ASN 73 H ASN 73 -3.399 -15.570 -18.728 563 HA ASN 73 HA ASN 73 -3.986 -15.659 -21.504 564 HB2 ASN 73 2HB ASN 73 -5.116 -16.689 -19.075 565 HB3 ASN 73 3HB ASN 73 -6.392 -15.946 -20.035 566 HD21 ASN 73 1HD2 ASN 73 -5.665 -18.781 -19.374 567 HD22 ASN 73 2HD2 ASN 73 -5.621 -19.582 -20.904 568 H ASP 74 H ASP 74 -5.028 -13.565 -18.857 569 HA ASP 74 HA ASP 74 -6.982 -12.122 -20.275 570 HB2 ASP 74 2HB ASP 74 -6.622 -12.132 -17.771 571 HB3 ASP 74 3HB ASP 74 -5.268 -11.036 -18.038 572 H VAL 75 H VAL 75 -3.561 -11.367 -19.642 573 HA VAL 75 HA VAL 75 -3.505 -8.965 -21.112 574 HB VAL 75 HB VAL 75 -1.052 -9.226 -21.120 575 HG11 VAL 75 1HG1 VAL 75 -1.044 -8.452 -19.035 576 HG12 VAL 75 2HG1 VAL 75 -2.740 -8.926 -18.921 577 HG13 VAL 75 3HG1 VAL 75 -1.475 -10.032 -18.384 578 HG21 VAL 75 3HG2 VAL 75 -1.688 -11.953 -20.009 579 HG22 VAL 75 1HG2 VAL 75 -0.804 -11.570 -21.486 580 HG23 VAL 75 2HG2 VAL 75 -0.095 -11.203 -19.913 581 H ALA 76 H ALA 76 -2.884 -12.316 -22.024 582 HA ALA 76 HA ALA 76 -1.839 -11.860 -24.584 583 HB1 ALA 76 1HB ALA 76 -1.531 -14.034 -24.048 584 HB2 ALA 76 2HB ALA 76 -3.056 -14.148 -23.169 585 HB3 ALA 76 3HB ALA 76 -3.046 -14.228 -24.930 586 H ARG 77 H ARG 77 -5.190 -12.428 -23.536 587 HA ARG 77 HA ARG 77 -6.338 -12.289 -26.108 588 HB2 ARG 77 2HB ARG 77 -7.292 -13.042 -23.737 589 HB3 ARG 77 3HB ARG 77 -7.907 -11.395 -23.741 590 HG2 ARG 77 2HG ARG 77 -9.078 -11.812 -25.826 591 HG3 ARG 77 3HG ARG 77 -8.423 -13.450 -25.880 592 HD2 ARG 77 2HD ARG 77 -9.600 -13.179 -23.353 593 HD3 ARG 77 3HD ARG 77 -10.732 -12.445 -24.488 594 HE ARG 77 HE ARG 77 -10.035 -14.817 -25.647 595 HH11 ARG 77 1HH1 ARG 77 -11.380 -13.869 -22.579 596 HH12 ARG 77 2HH1 ARG 77 -12.275 -15.337 -22.370 597 HH21 ARG 77 1HH2 ARG 77 -11.209 -16.755 -25.383 598 HH22 ARG 77 2HH2 ARG 77 -12.176 -16.979 -23.965 599 H MET 78 H MET 78 -5.776 -9.839 -23.618 600 HA MET 78 HA MET 78 -7.139 -7.722 -24.853 601 HB2 MET 78 2HB MET 78 -4.722 -7.634 -23.038 602 HB3 MET 78 3HB MET 78 -5.736 -6.255 -23.439 603 HG2 MET 78 2HG MET 78 -7.377 -8.379 -22.468 604 HG3 MET 78 3HG MET 78 -6.051 -8.097 -21.342 605 HE1 MET 78 3HE MET 78 -8.138 -7.956 -19.994 606 HE2 MET 78 1HE MET 78 -7.606 -6.515 -19.128 607 HE3 MET 78 2HE MET 78 -9.208 -6.559 -19.864 608 H ILE 79 H ILE 79 -3.805 -8.852 -25.170 609 HA ILE 79 HA ILE 79 -2.911 -6.733 -26.821 610 HB ILE 79 HB ILE 79 -1.853 -9.552 -26.586 611 HG12 ILE 79 2HG1 ILE 79 -0.511 -7.174 -25.389 612 HG13 ILE 79 3HG1 ILE 79 -1.942 -7.804 -24.581 613 HG21 ILE 79 1HG2 ILE 79 -0.601 -7.087 -27.788 614 HG22 ILE 79 2HG2 ILE 79 0.228 -8.619 -27.515 615 HG23 ILE 79 3HG2 ILE 79 -1.115 -8.535 -28.654 616 HD11 ILE 79 3HD1 ILE 79 -0.010 -8.779 -23.584 617 HD12 ILE 79 1HD1 ILE 79 -0.842 -10.028 -24.510 618 HD13 ILE 79 2HD1 ILE 79 0.615 -9.273 -25.157 619 H THR 80 H THR 80 -4.149 -9.979 -27.544 620 HA THR 80 HA THR 80 -3.809 -9.921 -30.317 621 HB THR 80 HB THR 80 -5.459 -11.693 -30.443 622 HG1 THR 80 HG1 THR 80 -7.111 -11.204 -29.137 623 HG21 THR 80 3HG2 THR 80 -3.211 -11.708 -28.695 624 HG22 THR 80 1HG2 THR 80 -3.895 -13.046 -29.617 625 HG23 THR 80 2HG2 THR 80 -4.473 -12.714 -27.985 626 H ASN 81 H ASN 81 -6.595 -8.945 -28.338 627 HA ASN 81 HA ASN 81 -8.253 -8.210 -30.502 628 HB2 ASN 81 2HB ASN 81 -8.245 -7.438 -27.585 629 HB3 ASN 81 3HB ASN 81 -9.463 -6.850 -28.712 630 HD21 ASN 81 1HD2 ASN 81 -9.175 -8.905 -26.357 631 HD22 ASN 81 2HD2 ASN 81 -10.142 -10.225 -26.911 632 H ALA 82 H ALA 82 -6.093 -6.315 -28.417 633 HA ALA 82 HA ALA 82 -6.627 -3.783 -29.427 634 HB1 ALA 82 1HB ALA 82 -3.961 -4.808 -28.460 635 HB2 ALA 82 2HB ALA 82 -4.472 -3.122 -28.546 636 HB3 ALA 82 3HB ALA 82 -5.265 -4.227 -27.424 637 H LEU 83 H LEU 83 -3.841 -5.827 -30.330 638 HA LEU 83 HA LEU 83 -3.014 -4.297 -32.504 639 HB2 LEU 83 2HB LEU 83 -1.595 -6.050 -33.057 640 HB3 LEU 83 3HB LEU 83 -1.830 -6.230 -31.319 641 HG LEU 83 HG LEU 83 -3.736 -7.896 -32.153 642 HD11 LEU 83 1HD1 LEU 83 -2.558 -9.196 -34.074 643 HD12 LEU 83 2HD1 LEU 83 -1.827 -7.632 -34.434 644 HD13 LEU 83 3HD1 LEU 83 -3.582 -7.810 -34.450 645 HD21 LEU 83 3HD2 LEU 83 -0.789 -8.482 -31.910 646 HD22 LEU 83 1HD2 LEU 83 -2.049 -9.717 -31.935 647 HD23 LEU 83 2HD2 LEU 83 -2.002 -8.532 -30.630 648 H GLU 84 H GLU 84 -5.477 -6.776 -32.268 649 HA GLU 84 HA GLU 84 -5.851 -7.238 -35.021 650 HB2 GLU 84 2HB GLU 84 -6.814 -8.821 -33.574 651 HB3 GLU 84 3HB GLU 84 -7.608 -7.586 -32.607 652 HG2 GLU 84 2HG GLU 84 -9.285 -7.253 -34.180 653 HG3 GLU 84 3HG GLU 84 -8.352 -8.003 -35.473 654 H TYR 85 H TYR 85 -7.156 -4.825 -32.821 655 HA TYR 85 HA TYR 85 -8.921 -3.742 -34.853 656 HB2 TYR 85 2HB TYR 85 -9.808 -3.692 -32.646 657 HB3 TYR 85 3HB TYR 85 -8.339 -2.975 -31.994 658 HD1 TYR 85 HD2 TYR 85 -10.423 -2.031 -34.945 659 HD2 TYR 85 HD1 TYR 85 -8.915 -0.904 -31.129 660 HE1 TYR 85 HE2 TYR 85 -11.397 0.210 -35.228 661 HE2 TYR 85 HE1 TYR 85 -9.886 1.340 -31.401 662 HH TYR 85 HH TYR 85 -11.361 2.348 -34.422 663 H ASN 86 H ASN 86 -5.816 -3.054 -33.411 664 HA ASN 86 HA ASN 86 -5.610 -0.427 -34.584 665 HB2 ASN 86 2HB ASN 86 -4.285 -1.828 -32.531 666 HB3 ASN 86 3HB ASN 86 -3.069 -1.523 -33.768 667 HD21 ASN 86 1HD2 ASN 86 -2.008 0.291 -33.516 668 HD22 ASN 86 2HD2 ASN 86 -2.609 1.735 -32.782 669 H ALA 87 H ALA 87 -5.407 -3.485 -35.812 670 HA ALA 87 HA ALA 87 -3.137 -3.301 -37.503 671 HB1 ALA 87 1HB ALA 87 -5.587 -5.033 -37.518 672 HB2 ALA 87 2HB ALA 87 -4.371 -5.134 -38.792 673 HB3 ALA 87 3HB ALA 87 -3.926 -5.469 -37.119 674 H LYS 88 H LYS 88 -3.106 -1.393 -38.643 675 HA LYS 88 HA LYS 88 -4.384 -1.292 -41.115 676 HB2 LYS 88 2HB LYS 88 -6.086 -0.443 -39.037 677 HB3 LYS 88 3HB LYS 88 -5.561 1.020 -39.860 678 HG2 LYS 88 2HG LYS 88 -6.682 0.521 -41.758 679 HG3 LYS 88 3HG LYS 88 -6.437 -1.217 -41.578 680 HD2 LYS 88 2HD LYS 88 -8.553 -1.349 -40.893 681 HD3 LYS 88 3HD LYS 88 -8.057 -0.498 -39.428 682 HE2 LYS 88 2HE LYS 88 -8.982 0.827 -41.975 683 HE3 LYS 88 3HE LYS 88 -9.991 0.553 -40.555 684 HZ1 LYS 88 3HZ LYS 88 -8.101 2.625 -41.049 685 HZ2 LYS 88 1HZ LYS 88 -7.751 1.817 -39.604 686 HZ3 LYS 88 2HZ LYS 88 -9.276 2.511 -39.836 687 H GLY 89 H GLY 89 -3.241 0.027 -42.406 688 HA2 GLY 89 2HA GLY 89 -2.265 2.239 -42.779 689 HA3 GLY 89 3HA GLY 89 -1.681 2.182 -41.122 690 H SER 90 H SER 90 -1.381 -0.834 -42.528 691 HA SER 90 HA SER 90 0.353 -2.031 -43.399 692 HB2 SER 90 2HB SER 90 0.616 0.537 -44.622 693 HB3 SER 90 3HB SER 90 2.228 -0.040 -44.197 694 HG SER 90 HG SER 90 1.441 -2.093 -45.226 695 H THR 91 H THR 91 2.097 0.874 -42.321 696 HA THR 91 HA THR 91 4.101 -0.590 -40.977 697 HB THR 91 HB THR 91 3.475 2.236 -40.209 698 HG1 THR 91 HG1 THR 91 4.812 1.548 -42.623 699 HG21 THR 91 3HG2 THR 91 6.145 1.123 -40.972 700 HG22 THR 91 1HG2 THR 91 5.455 0.747 -39.393 701 HG23 THR 91 2HG2 THR 91 5.756 2.425 -39.848 702 H TRP 92 H TRP 92 1.157 1.009 -39.849 703 HA TRP 92 HA TRP 92 1.545 0.816 -37.107 704 HB2 TRP 92 2HB TRP 92 -0.571 1.512 -38.832 705 HB3 TRP 92 3HB TRP 92 -1.209 0.267 -37.761 706 HD1 TRP 92 HD1 TRP 92 -2.504 1.461 -35.908 707 HE1 TRP 92 HE1 TRP 92 -2.081 3.474 -34.362 708 HE3 TRP 92 HE3 TRP 92 1.964 3.035 -37.831 709 HZ2 TRP 92 HZ2 TRP 92 -0.113 5.467 -34.005 710 HZ3 TRP 92 HZ3 TRP 92 3.050 5.003 -36.831 711 HH2 TRP 92 HH2 TRP 92 2.032 6.192 -34.958 712 H TYR 93 H TYR 93 0.029 -1.536 -39.304 713 HA TYR 93 HA TYR 93 -0.662 -3.463 -37.428 714 HB2 TYR 93 2HB TYR 93 -1.454 -3.634 -39.694 715 HB3 TYR 93 3HB TYR 93 0.189 -3.775 -40.311 716 HD1 TYR 93 HD2 TYR 93 -1.654 -5.508 -37.556 717 HD2 TYR 93 HD1 TYR 93 0.513 -5.878 -41.199 718 HE1 TYR 93 HE2 TYR 93 -1.808 -7.958 -37.393 719 HE2 TYR 93 HE1 TYR 93 0.364 -8.328 -41.046 720 HH TYR 93 HH TYR 93 -1.652 -9.954 -39.494 721 H GLN 94 H GLN 94 2.406 -2.923 -39.090 722 HA GLN 94 HA GLN 94 3.694 -5.257 -38.126 723 HB2 GLN 94 2HB GLN 94 4.341 -3.068 -39.818 724 HB3 GLN 94 3HB GLN 94 5.593 -3.172 -38.588 725 HG2 GLN 94 2HG GLN 94 6.143 -5.386 -39.197 726 HG3 GLN 94 3HG GLN 94 4.702 -5.542 -40.200 727 HE21 GLN 94 1HE2 GLN 94 7.966 -4.616 -40.072 728 HE22 GLN 94 2HE2 GLN 94 8.115 -4.040 -41.694 729 H GLU 95 H GLU 95 3.410 -1.964 -36.912 730 HA GLU 95 HA GLU 95 5.325 -2.163 -34.853 731 HB2 GLU 95 2HB GLU 95 4.584 0.008 -35.486 732 HB3 GLU 95 3HB GLU 95 2.899 -0.409 -35.209 733 HG2 GLU 95 2HG GLU 95 4.816 -0.520 -32.933 734 HG3 GLU 95 3HG GLU 95 4.217 1.042 -33.488 735 H ALA 96 H ALA 96 1.814 -2.692 -34.862 736 HA ALA 96 HA ALA 96 1.618 -3.336 -32.111 737 HB1 ALA 96 1HB ALA 96 -0.330 -2.624 -33.335 738 HB2 ALA 96 2HB ALA 96 -0.204 -4.013 -34.415 739 HB3 ALA 96 3HB ALA 96 -0.600 -4.253 -32.714 740 H MET 97 H MET 97 1.989 -5.310 -35.030 741 HA MET 97 HA MET 97 1.807 -7.812 -33.707 742 HB2 MET 97 2HB MET 97 1.742 -7.088 -36.291 743 HB3 MET 97 3HB MET 97 3.422 -7.599 -36.189 744 HG2 MET 97 2HG MET 97 1.470 -9.449 -35.007 745 HG3 MET 97 3HG MET 97 1.358 -9.238 -36.753 746 HE1 MET 97 3HE MET 97 1.514 -11.651 -36.572 747 HE2 MET 97 1HE MET 97 2.736 -11.783 -37.837 748 HE3 MET 97 2HE MET 97 2.969 -12.610 -36.297 749 H SER 98 H SER 98 4.480 -5.660 -34.481 750 HA SER 98 HA SER 98 6.556 -7.470 -33.795 751 HB2 SER 98 2HB SER 98 7.144 -5.623 -35.177 752 HB3 SER 98 3HB SER 98 6.459 -4.462 -34.040 753 HG SER 98 HG SER 98 8.908 -5.756 -34.004 754 H PHE 99 H PHE 99 4.849 -4.937 -32.006 755 HA PHE 99 HA PHE 99 6.393 -5.173 -29.638 756 HB2 PHE 99 2HB PHE 99 4.138 -3.629 -30.553 757 HB3 PHE 99 3HB PHE 99 3.830 -4.240 -28.931 758 HD1 PHE 99 HD2 PHE 99 5.263 -3.591 -27.065 759 HD2 PHE 99 HD1 PHE 99 5.836 -1.995 -30.969 760 HE1 PHE 99 HE2 PHE 99 6.665 -1.801 -26.124 761 HE2 PHE 99 HE1 PHE 99 7.240 -0.203 -30.034 762 HZ PHE 99 HZ PHE 99 7.655 -0.104 -27.609 763 H ARG 100 H ARG 100 3.386 -6.651 -30.742 764 HA ARG 100 HA ARG 100 2.569 -7.867 -28.379 765 HB2 ARG 100 2HB ARG 100 1.135 -7.834 -30.321 766 HB3 ARG 100 3HB ARG 100 2.281 -8.802 -31.237 767 HG2 ARG 100 2HG ARG 100 1.419 -10.074 -28.761 768 HG3 ARG 100 3HG ARG 100 0.100 -9.752 -29.888 769 HD2 ARG 100 2HD ARG 100 1.399 -10.877 -31.667 770 HD3 ARG 100 3HD ARG 100 2.642 -11.264 -30.478 771 HE ARG 100 HE ARG 100 0.129 -12.205 -29.597 772 HH11 ARG 100 1HH1 ARG 100 2.626 -12.870 -31.930 773 HH12 ARG 100 2HH1 ARG 100 2.283 -14.567 -32.008 774 HH21 ARG 100 1HH2 ARG 100 -0.332 -14.437 -29.690 775 HH22 ARG 100 2HH2 ARG 100 0.600 -15.457 -30.734 776 H LYS 101 H LYS 101 5.191 -8.644 -30.494 777 HA LYS 101 HA LYS 101 5.546 -11.354 -29.732 778 HB2 LYS 101 2HB LYS 101 6.690 -9.639 -31.587 779 HB3 LYS 101 3HB LYS 101 8.002 -9.961 -30.461 780 HG2 LYS 101 2HG LYS 101 8.295 -12.020 -31.245 781 HG3 LYS 101 3HG LYS 101 6.567 -12.374 -31.184 782 HD2 LYS 101 2HD LYS 101 7.292 -12.539 -33.465 783 HD3 LYS 101 3HD LYS 101 6.297 -11.089 -33.303 784 HE2 LYS 101 2HE LYS 101 8.359 -9.742 -33.105 785 HE3 LYS 101 3HE LYS 101 9.311 -11.203 -33.363 786 HZ1 LYS 101 3HZ LYS 101 7.973 -11.410 -35.511 787 HZ2 LYS 101 1HZ LYS 101 9.183 -10.229 -35.451 788 HZ3 LYS 101 2HZ LYS 101 7.560 -9.787 -35.272 789 H THR 102 H THR 102 6.336 -8.345 -28.244 790 HA THR 102 HA THR 102 7.948 -9.759 -26.221 791 HB THR 102 HB THR 102 9.250 -8.039 -27.360 792 HG1 THR 102 HG1 THR 102 9.830 -8.200 -25.245 793 HG21 THR 102 3HG2 THR 102 8.610 -5.640 -27.056 794 HG22 THR 102 1HG2 THR 102 7.043 -6.187 -26.461 795 HG23 THR 102 2HG2 THR 102 7.531 -6.545 -28.118 796 H TYR 103 H TYR 103 4.993 -8.309 -26.805 797 HA TYR 103 HA TYR 103 4.473 -6.968 -24.389 798 HB2 TYR 103 2HB TYR 103 3.117 -7.101 -26.643 799 HB3 TYR 103 3HB TYR 103 2.296 -8.429 -25.830 800 HD1 TYR 103 HD2 TYR 103 1.968 -7.599 -23.120 801 HD2 TYR 103 HD1 TYR 103 1.768 -5.232 -26.650 802 HE1 TYR 103 HE2 TYR 103 0.518 -5.991 -21.953 803 HE2 TYR 103 HE1 TYR 103 0.319 -3.617 -25.492 804 HH TYR 103 HH TYR 103 0.049 -3.066 -22.691 805 H LEU 104 H LEU 104 3.603 -10.276 -25.395 806 HA LEU 104 HA LEU 104 2.625 -11.013 -22.825 807 HB2 LEU 104 2HB LEU 104 2.615 -13.301 -23.734 808 HB3 LEU 104 3HB LEU 104 1.814 -12.136 -24.787 809 HG LEU 104 HG LEU 104 4.569 -12.423 -25.554 810 HD11 LEU 104 1HD1 LEU 104 2.962 -14.972 -25.444 811 HD12 LEU 104 2HD1 LEU 104 4.438 -14.628 -24.543 812 HD13 LEU 104 3HD1 LEU 104 4.489 -14.753 -26.301 813 HD21 LEU 104 3HD2 LEU 104 3.647 -12.705 -27.697 814 HD22 LEU 104 1HD2 LEU 104 2.538 -11.619 -26.859 815 HD23 LEU 104 2HD2 LEU 104 2.125 -13.323 -27.053 816 H ASP 105 H ASP 105 5.718 -11.307 -24.462 817 HA ASP 105 HA ASP 105 6.972 -13.120 -22.744 818 HB2 ASP 105 2HB ASP 105 7.784 -11.232 -24.809 819 HB3 ASP 105 3HB ASP 105 8.981 -11.364 -23.523 820 H LEU 106 H LEU 106 6.921 -9.563 -22.634 821 HA LEU 106 HA LEU 106 8.481 -9.268 -20.328 822 HB2 LEU 106 2HB LEU 106 7.066 -7.600 -22.086 823 HB3 LEU 106 3HB LEU 106 6.443 -7.247 -20.475 824 HG LEU 106 HG LEU 106 8.187 -5.698 -20.923 825 HD11 LEU 106 1HD1 LEU 106 9.876 -7.427 -19.303 826 HD12 LEU 106 2HD1 LEU 106 8.202 -7.381 -18.751 827 HD13 LEU 106 3HD1 LEU 106 9.120 -5.884 -18.907 828 HD21 LEU 106 3HD2 LEU 106 10.540 -7.142 -21.185 829 HD22 LEU 106 1HD2 LEU 106 9.709 -6.241 -22.452 830 HD23 LEU 106 2HD2 LEU 106 9.400 -7.966 -22.250 831 H ALA 107 H ALA 107 5.188 -10.221 -20.743 832 HA ALA 107 HA ALA 107 4.685 -9.935 -17.860 833 HB1 ALA 107 1HB ALA 107 3.108 -9.103 -19.848 834 HB2 ALA 107 2HB ALA 107 2.493 -10.747 -19.671 835 HB3 ALA 107 3HB ALA 107 2.480 -9.648 -18.292 836 H ARG 108 H ARG 108 6.402 -11.932 -18.358 837 HA ARG 108 HA ARG 108 5.159 -14.188 -17.266 838 HB2 ARG 108 2HB ARG 108 4.510 -14.071 -19.887 839 HB3 ARG 108 3HB ARG 108 6.018 -14.971 -19.986 840 HG2 ARG 108 2HG ARG 108 4.244 -16.543 -19.858 841 HG3 ARG 108 3HG ARG 108 5.086 -16.565 -18.307 842 HD2 ARG 108 2HD ARG 108 3.306 -14.851 -17.571 843 HD3 ARG 108 3HD ARG 108 2.410 -15.400 -18.987 844 HE ARG 108 HE ARG 108 1.850 -17.272 -17.819 845 HH11 ARG 108 1HH1 ARG 108 4.724 -15.910 -16.404 846 HH12 ARG 108 2HH1 ARG 108 4.781 -17.052 -15.102 847 HH21 ARG 108 1HH2 ARG 108 1.914 -18.780 -16.110 848 HH22 ARG 108 2HH2 ARG 108 3.183 -18.684 -14.936 849 H GLN 109 H GLN 109 7.783 -13.122 -19.397 850 HA GLN 109 HA GLN 109 9.640 -15.086 -18.502 851 HB2 GLN 109 2HB GLN 109 11.246 -13.965 -19.826 852 HB3 GLN 109 3HB GLN 109 9.723 -13.800 -20.690 853 HG2 GLN 109 2HG GLN 109 9.582 -11.540 -19.370 854 HG3 GLN 109 3HG GLN 109 11.330 -11.744 -19.266 855 HE21 GLN 109 1HE2 GLN 109 10.501 -9.589 -20.547 856 HE22 GLN 109 2HE2 GLN 109 10.685 -9.750 -22.258 857 H SER 110 H SER 110 8.786 -11.857 -17.467 858 HA SER 110 HA SER 110 11.035 -11.687 -15.639 859 HB2 SER 110 2HB SER 110 9.131 -9.835 -16.794 860 HB3 SER 110 3HB SER 110 9.231 -9.623 -15.046 861 HG SER 110 HG SER 110 10.801 -8.454 -16.474 862 H GLY 111 H GLY 111 7.694 -12.604 -15.602 863 HA2 GLY 111 2HA GLY 111 6.991 -12.232 -12.949 864 HA3 GLY 111 3HA GLY 111 6.401 -13.546 -13.955 Start of MODEL 15 1 H1 MET 1 H MET 1 3.723 -1.146 0.948 2 HA MET 1 HA MET 1 2.930 -2.954 2.245 3 HB2 MET 1 2HB MET 1 1.480 -3.839 -0.254 4 HB3 MET 1 3HB MET 1 1.353 -4.566 1.342 5 HG2 MET 1 2HG MET 1 -0.396 -3.259 1.692 6 HG3 MET 1 3HG MET 1 0.724 -1.900 1.754 7 HE1 MET 1 3HE MET 1 0.393 -0.117 0.869 8 HE2 MET 1 1HE MET 1 0.336 0.187 -0.868 9 HE3 MET 1 2HE MET 1 -1.149 0.224 0.083 10 H SER 2 H SER 2 3.925 -3.279 -1.122 11 HA SER 2 HA SER 2 5.626 -4.451 -2.084 12 HB2 SER 2 2HB SER 2 6.450 -4.152 0.651 13 HB3 SER 2 3HB SER 2 6.924 -5.749 0.072 14 HG SER 2 HG SER 2 7.782 -3.233 -0.733 15 H LYS 3 H LYS 3 5.110 -6.489 0.778 16 HA LYS 3 HA LYS 3 4.486 -8.666 1.003 17 HB2 LYS 3 2HB LYS 3 2.368 -7.609 0.057 18 HB3 LYS 3 3HB LYS 3 2.847 -8.275 -1.498 19 HG2 LYS 3 2HG LYS 3 1.558 -9.994 -0.840 20 HG3 LYS 3 3HG LYS 3 3.023 -10.486 0.013 21 HD2 LYS 3 2HD LYS 3 2.148 -10.028 2.042 22 HD3 LYS 3 3HD LYS 3 1.291 -8.598 1.464 23 HE2 LYS 3 2HE LYS 3 -0.237 -10.305 0.256 24 HE3 LYS 3 3HE LYS 3 0.448 -11.471 1.388 25 HZ1 LYS 3 3HZ LYS 3 -0.338 -9.162 2.791 26 HZ2 LYS 3 1HZ LYS 3 -0.921 -10.742 2.947 27 HZ3 LYS 3 2HZ LYS 3 -1.633 -9.684 1.837 28 H ASN 4 H ASN 4 6.911 -8.512 -0.071 29 HA ASN 4 HA ASN 4 8.478 -9.686 -1.227 30 HB2 ASN 4 2HB ASN 4 6.396 -11.700 -2.020 31 HB3 ASN 4 3HB ASN 4 8.092 -11.957 -1.621 32 HD21 ASN 4 1HD2 ASN 4 4.889 -11.734 -0.439 33 HD22 ASN 4 2HD2 ASN 4 5.236 -12.081 1.218 34 H GLU 5 H GLU 5 8.610 -11.019 -3.533 35 HA GLU 5 HA GLU 5 7.960 -8.977 -5.474 36 HB2 GLU 5 2HB GLU 5 9.245 -10.420 -7.041 37 HB3 GLU 5 3HB GLU 5 10.150 -9.970 -5.603 38 HG2 GLU 5 2HG GLU 5 8.787 -12.428 -5.116 39 HG3 GLU 5 3HG GLU 5 9.680 -12.544 -6.631 40 H ARG 6 H ARG 6 6.801 -12.112 -4.532 41 HA ARG 6 HA ARG 6 4.420 -11.826 -6.056 42 HB2 ARG 6 2HB ARG 6 4.669 -13.620 -7.625 43 HB3 ARG 6 3HB ARG 6 6.033 -12.530 -7.835 44 HG2 ARG 6 2HG ARG 6 7.348 -14.095 -6.349 45 HG3 ARG 6 3HG ARG 6 6.004 -15.227 -6.517 46 HD2 ARG 6 2HD ARG 6 6.307 -15.346 -8.883 47 HD3 ARG 6 3HD ARG 6 7.475 -14.025 -8.853 48 HE ARG 6 HE ARG 6 8.322 -16.211 -7.239 49 HH11 ARG 6 1HH1 ARG 6 8.091 -15.100 -10.530 50 HH12 ARG 6 2HH1 ARG 6 9.419 -16.065 -11.086 51 HH21 ARG 6 1HH2 ARG 6 10.071 -17.485 -7.958 52 HH22 ARG 6 2HH2 ARG 6 10.544 -17.422 -9.622 53 H ASP 7 H ASP 7 2.829 -13.289 -5.441 54 HA ASP 7 HA ASP 7 3.597 -15.350 -3.496 55 HB2 ASP 7 2HB ASP 7 2.801 -13.204 -2.379 56 HB3 ASP 7 3HB ASP 7 1.218 -13.542 -3.074 57 H THR 8 H THR 8 2.792 -15.442 -6.315 58 HA THR 8 HA THR 8 1.376 -16.553 -7.719 59 HB THR 8 HB THR 8 0.765 -18.746 -7.080 60 HG1 THR 8 HG1 THR 8 -0.012 -19.167 -5.156 61 HG21 THR 8 3HG2 THR 8 3.055 -18.338 -5.204 62 HG22 THR 8 1HG2 THR 8 3.275 -18.015 -6.923 63 HG23 THR 8 2HG2 THR 8 2.787 -19.621 -6.382 64 H SER 9 H SER 9 0.207 -14.309 -6.448 65 HA SER 9 HA SER 9 -2.603 -15.098 -6.600 66 HB2 SER 9 2HB SER 9 -1.244 -14.027 -4.207 67 HB3 SER 9 3HB SER 9 -2.765 -13.237 -4.622 68 HG SER 9 HG SER 9 -2.845 -15.177 -3.214 69 H PHE 10 H PHE 10 -0.255 -12.457 -6.397 70 HA PHE 10 HA PHE 10 -1.944 -10.927 -8.261 71 HB2 PHE 10 2HB PHE 10 -1.171 -8.850 -7.147 72 HB3 PHE 10 3HB PHE 10 -2.117 -9.880 -6.077 73 HD1 PHE 10 HD1 PHE 10 -0.915 -11.301 -4.389 74 HD2 PHE 10 HD2 PHE 10 1.021 -8.226 -6.606 75 HE1 PHE 10 HE1 PHE 10 0.909 -11.265 -2.739 76 HE2 PHE 10 HE2 PHE 10 2.849 -8.186 -4.959 77 HZ PHE 10 HZ PHE 10 2.795 -9.707 -3.023 78 H ASN 11 H ASN 11 -0.951 -10.635 -10.133 79 HA ASN 11 HA ASN 11 1.984 -10.707 -10.210 80 HB2 ASN 11 2HB ASN 11 -0.139 -11.654 -12.001 81 HB3 ASN 11 3HB ASN 11 1.157 -10.798 -12.831 82 HD21 ASN 11 1HD2 ASN 11 3.229 -11.652 -12.825 83 HD22 ASN 11 2HD2 ASN 11 3.549 -13.290 -12.376 84 H LYS 12 H LYS 12 2.124 -8.496 -9.479 85 HA LYS 12 HA LYS 12 0.970 -6.326 -10.858 86 HB2 LYS 12 2HB LYS 12 2.512 -4.932 -9.635 87 HB3 LYS 12 3HB LYS 12 1.924 -6.199 -8.567 88 HG2 LYS 12 2HG LYS 12 4.113 -6.347 -8.049 89 HG3 LYS 12 3HG LYS 12 4.135 -7.399 -9.466 90 HD2 LYS 12 2HD LYS 12 5.571 -6.035 -10.473 91 HD3 LYS 12 3HD LYS 12 4.423 -4.701 -10.335 92 HE2 LYS 12 2HE LYS 12 5.288 -4.541 -7.897 93 HE3 LYS 12 3HE LYS 12 6.655 -5.479 -8.496 94 HZ1 LYS 12 3HZ LYS 12 6.895 -3.729 -10.251 95 HZ2 LYS 12 1HZ LYS 12 7.239 -3.214 -8.676 96 HZ3 LYS 12 2HZ LYS 12 5.767 -2.800 -9.398 97 H ASN 13 H ASN 13 3.930 -8.142 -11.342 98 HA ASN 13 HA ASN 13 5.282 -6.417 -13.061 99 HB2 ASN 13 2HB ASN 13 6.448 -8.427 -13.885 100 HB3 ASN 13 3HB ASN 13 6.323 -8.422 -12.129 101 HD21 ASN 13 1HD2 ASN 13 5.221 -9.884 -15.080 102 HD22 ASN 13 2HD2 ASN 13 4.493 -11.274 -14.357 103 H GLY 14 H GLY 14 2.627 -8.628 -13.665 104 HA2 GLY 14 2HA GLY 14 2.757 -8.620 -16.490 105 HA3 GLY 14 3HA GLY 14 1.339 -9.009 -15.528 106 H CYS 15 H CYS 15 0.923 -6.605 -14.214 107 HA CYS 15 HA CYS 15 -0.438 -5.128 -16.210 108 HB2 CYS 15 2HB CYS 15 0.192 -4.195 -13.407 109 HB3 CYS 15 3HB CYS 15 -1.136 -3.672 -14.435 110 HG CYS 15 HG CYS 15 -1.679 -6.773 -14.292 111 H LEU 16 H LEU 16 2.474 -4.450 -14.294 112 HA LEU 16 HA LEU 16 2.991 -1.890 -15.293 113 HB2 LEU 16 2HB LEU 16 4.144 -2.642 -13.357 114 HB3 LEU 16 3HB LEU 16 4.814 -4.027 -14.217 115 HG LEU 16 HG LEU 16 5.624 -1.510 -15.414 116 HD11 LEU 16 1HD1 LEU 16 6.713 -0.460 -13.711 117 HD12 LEU 16 2HD1 LEU 16 6.875 -1.933 -12.754 118 HD13 LEU 16 3HD1 LEU 16 5.326 -1.091 -12.821 119 HD21 LEU 16 3HD2 LEU 16 6.533 -4.010 -15.450 120 HD22 LEU 16 1HD2 LEU 16 7.518 -3.390 -14.125 121 HD23 LEU 16 2HD2 LEU 16 7.585 -2.618 -15.710 122 H VAL 17 H VAL 17 4.091 -5.065 -16.432 123 HA VAL 17 HA VAL 17 5.688 -4.077 -18.552 124 HB VAL 17 HB VAL 17 4.403 -6.777 -18.144 125 HG11 VAL 17 1HG1 VAL 17 6.379 -5.880 -20.236 126 HG12 VAL 17 2HG1 VAL 17 6.001 -7.566 -19.878 127 HG13 VAL 17 3HG1 VAL 17 4.747 -6.494 -20.503 128 HG21 VAL 17 3HG2 VAL 17 6.411 -7.476 -17.223 129 HG22 VAL 17 1HG2 VAL 17 7.325 -6.165 -17.968 130 HG23 VAL 17 2HG2 VAL 17 6.265 -5.833 -16.599 131 H PHE 18 H PHE 18 2.305 -5.017 -18.311 132 HA PHE 18 HA PHE 18 1.697 -5.035 -21.053 133 HB2 PHE 18 2HB PHE 18 0.192 -5.981 -19.370 134 HB3 PHE 18 3HB PHE 18 -0.090 -4.376 -18.703 135 HD1 PHE 18 HD2 PHE 18 -1.312 -2.683 -20.055 136 HD2 PHE 18 HD1 PHE 18 -0.994 -6.755 -21.254 137 HE1 PHE 18 HE2 PHE 18 -3.199 -2.371 -21.603 138 HE2 PHE 18 HE1 PHE 18 -2.880 -6.449 -22.805 139 HZ PHE 18 HZ PHE 18 -3.986 -4.256 -22.980 140 H VAL 19 H VAL 19 1.033 -2.473 -18.659 141 HA VAL 19 HA VAL 19 0.218 -0.532 -20.504 142 HB VAL 19 HB VAL 19 1.579 0.030 -17.869 143 HG11 VAL 19 1HG1 VAL 19 1.171 1.937 -19.433 144 HG12 VAL 19 2HG1 VAL 19 -0.556 1.592 -19.312 145 HG13 VAL 19 3HG1 VAL 19 0.350 2.078 -17.879 146 HG21 VAL 19 3HG2 VAL 19 -0.896 -1.347 -18.408 147 HG22 VAL 19 1HG2 VAL 19 -0.081 -1.062 -16.870 148 HG23 VAL 19 2HG2 VAL 19 -1.188 0.147 -17.519 149 H SER 20 H SER 20 3.411 -1.272 -19.178 150 HA SER 20 HA SER 20 4.808 0.913 -20.217 151 HB2 SER 20 2HB SER 20 6.064 -0.289 -18.691 152 HB3 SER 20 3HB SER 20 5.575 -1.847 -19.356 153 HG SER 20 HG SER 20 7.349 -1.799 -20.458 154 H ARG 21 H ARG 21 4.326 -2.329 -21.602 155 HA ARG 21 HA ARG 21 5.696 -1.762 -24.023 156 HB2 ARG 21 2HB ARG 21 4.713 -4.031 -22.816 157 HB3 ARG 21 3HB ARG 21 3.624 -3.826 -24.181 158 HG2 ARG 21 2HG ARG 21 5.137 -4.761 -25.492 159 HG3 ARG 21 3HG ARG 21 6.230 -3.416 -25.160 160 HD2 ARG 21 2HD ARG 21 6.739 -4.745 -22.973 161 HD3 ARG 21 3HD ARG 21 6.088 -6.111 -23.878 162 HE ARG 21 HE ARG 21 8.032 -6.173 -25.063 163 HH11 ARG 21 1HH1 ARG 21 7.699 -3.009 -23.650 164 HH12 ARG 21 2HH1 ARG 21 9.258 -2.467 -24.176 165 HH21 ARG 21 1HH2 ARG 21 10.087 -5.471 -25.761 166 HH22 ARG 21 2HH2 ARG 21 10.615 -3.867 -25.377 167 H LEU 22 H LEU 22 2.312 -1.611 -23.041 168 HA LEU 22 HA LEU 22 1.166 -1.189 -25.560 169 HB2 LEU 22 2HB LEU 22 -0.440 -1.605 -24.010 170 HB3 LEU 22 3HB LEU 22 0.383 -0.686 -22.751 171 HG LEU 22 HG LEU 22 -0.824 0.841 -24.993 172 HD11 LEU 22 1HD1 LEU 22 -3.020 0.814 -23.879 173 HD12 LEU 22 2HD1 LEU 22 -2.440 -0.459 -22.805 174 HD13 LEU 22 3HD1 LEU 22 -2.575 -0.760 -24.537 175 HD21 LEU 22 3HD2 LEU 22 0.101 1.266 -22.277 176 HD22 LEU 22 1HD2 LEU 22 -1.510 1.934 -22.546 177 HD23 LEU 22 2HD2 LEU 22 -0.167 2.430 -23.576 178 H TRP 23 H TRP 23 2.661 1.039 -23.285 179 HA TRP 23 HA TRP 23 1.875 3.431 -24.573 180 HB2 TRP 23 2HB TRP 23 3.977 2.694 -22.576 181 HB3 TRP 23 3HB TRP 23 4.051 4.276 -23.346 182 HD1 TRP 23 HD1 TRP 23 0.860 4.803 -23.388 183 HE1 TRP 23 HE1 TRP 23 -0.310 5.399 -21.174 184 HE3 TRP 23 HE3 TRP 23 4.320 2.944 -20.114 185 HZ2 TRP 23 HZ2 TRP 23 0.170 5.118 -18.407 186 HZ3 TRP 23 HZ3 TRP 23 3.888 3.149 -17.700 187 HH2 TRP 23 HH2 TRP 23 1.856 4.214 -16.866 188 H ASP 24 H ASP 24 4.599 1.253 -25.000 189 HA ASP 24 HA ASP 24 6.048 2.968 -26.765 190 HB2 ASP 24 2HB ASP 24 6.285 0.168 -25.811 191 HB3 ASP 24 3HB ASP 24 7.046 0.540 -27.356 192 H LEU 25 H LEU 25 4.269 -0.071 -27.354 193 HA LEU 25 HA LEU 25 4.363 0.027 -30.139 194 HB2 LEU 25 2HB LEU 25 2.955 -1.766 -30.118 195 HB3 LEU 25 3HB LEU 25 3.562 -1.822 -28.465 196 HG LEU 25 HG LEU 25 1.389 -0.378 -28.005 197 HD11 LEU 25 1HD1 LEU 25 0.933 -1.648 -30.654 198 HD12 LEU 25 2HD1 LEU 25 0.368 -0.100 -30.028 199 HD13 LEU 25 3HD1 LEU 25 -0.402 -1.597 -29.502 200 HD21 LEU 25 3HD2 LEU 25 2.061 -2.648 -27.116 201 HD22 LEU 25 1HD2 LEU 25 1.150 -3.343 -28.457 202 HD23 LEU 25 2HD2 LEU 25 0.327 -2.351 -27.253 203 H ASP 26 H ASP 26 2.227 1.606 -27.869 204 HA ASP 26 HA ASP 26 1.084 3.141 -30.085 205 HB2 ASP 26 2HB ASP 26 -0.349 1.173 -28.627 206 HB3 ASP 26 3HB ASP 26 -0.957 2.745 -28.115 207 H LYS 27 H LYS 27 1.601 5.180 -29.688 208 HA LYS 27 HA LYS 27 2.299 6.137 -27.099 209 HB2 LYS 27 2HB LYS 27 2.522 7.041 -29.786 210 HB3 LYS 27 3HB LYS 27 1.713 8.303 -28.866 211 HG2 LYS 27 2HG LYS 27 3.798 7.530 -27.226 212 HG3 LYS 27 3HG LYS 27 4.490 7.481 -28.849 213 HD2 LYS 27 2HD LYS 27 4.022 9.749 -29.235 214 HD3 LYS 27 3HD LYS 27 2.883 9.831 -27.888 215 HE2 LYS 27 2HE LYS 27 4.676 9.634 -26.296 216 HE3 LYS 27 3HE LYS 27 5.845 9.356 -27.585 217 HZ1 LYS 27 3HZ LYS 27 4.879 11.815 -26.543 218 HZ2 LYS 27 1HZ LYS 27 4.612 11.733 -28.211 219 HZ3 LYS 27 2HZ LYS 27 6.174 11.534 -27.594 220 H LEU 28 H LEU 28 -0.460 6.783 -29.254 221 HA LEU 28 HA LEU 28 -2.391 6.829 -27.258 222 HB2 LEU 28 2HB LEU 28 -0.791 9.111 -27.148 223 HB3 LEU 28 3HB LEU 28 -2.271 9.631 -27.952 224 HG LEU 28 HG LEU 28 -1.928 8.545 -25.173 225 HD11 LEU 28 1HD1 LEU 28 -2.554 10.604 -24.469 226 HD12 LEU 28 2HD1 LEU 28 -3.614 10.880 -25.851 227 HD13 LEU 28 3HD1 LEU 28 -1.869 11.072 -26.026 228 HD21 LEU 28 3HD2 LEU 28 -4.413 8.647 -26.858 229 HD22 LEU 28 1HD2 LEU 28 -4.471 8.706 -25.096 230 HD23 LEU 28 2HD2 LEU 28 -3.777 7.303 -25.909 231 H GLY 29 H GLY 29 -1.994 6.012 -29.990 232 HA2 GLY 29 2HA GLY 29 -3.685 7.719 -31.614 233 HA3 GLY 29 3HA GLY 29 -2.935 6.210 -32.113 234 H MET 30 H MET 30 -5.647 7.633 -30.389 235 HA MET 30 HA MET 30 -7.764 6.895 -30.010 236 HB2 MET 30 2HB MET 30 -7.190 4.675 -31.969 237 HB3 MET 30 3HB MET 30 -8.752 5.367 -31.554 238 HG2 MET 30 2HG MET 30 -7.671 7.567 -32.478 239 HG3 MET 30 3HG MET 30 -6.609 6.437 -33.315 240 HE1 MET 30 3HE MET 30 -10.743 7.721 -34.379 241 HE2 MET 30 1HE MET 30 -9.751 8.206 -33.004 242 HE3 MET 30 2HE MET 30 -9.235 8.596 -34.644 243 H PHE 31 H PHE 31 -5.572 5.929 -28.395 244 HA PHE 31 HA PHE 31 -6.639 3.307 -27.576 245 HB2 PHE 31 2HB PHE 31 -3.943 4.191 -28.041 246 HB3 PHE 31 3HB PHE 31 -4.125 3.718 -26.355 247 HD1 PHE 31 HD1 PHE 31 -5.136 2.473 -29.727 248 HD2 PHE 31 HD2 PHE 31 -3.662 1.536 -25.846 249 HE1 PHE 31 HE1 PHE 31 -4.942 0.108 -30.376 250 HE2 PHE 31 HE2 PHE 31 -3.464 -0.831 -26.489 251 HZ PHE 31 HZ PHE 31 -4.104 -1.547 -28.757 252 H HIS 32 H HIS 32 -5.758 3.001 -25.099 253 HA HIS 32 HA HIS 32 -6.084 3.549 -22.914 254 HB2 HIS 32 2HB HIS 32 -5.101 5.925 -24.121 255 HB3 HIS 32 3HB HIS 32 -6.393 6.391 -23.019 256 HD1 HIS 32 HD1 HIS 32 -5.837 4.239 -20.821 257 HD2 HIS 32 HD2 HIS 32 -2.959 6.664 -22.580 258 HE1 HIS 32 HE1 HIS 32 -3.943 4.342 -19.169 259 H HIS 33 H HIS 33 -8.294 3.592 -25.122 260 HA HIS 33 HA HIS 33 -10.451 4.077 -23.258 261 HB2 HIS 33 2HB HIS 33 -9.866 5.890 -25.533 262 HB3 HIS 33 3HB HIS 33 -11.553 5.443 -25.296 263 HD1 HIS 33 HD1 HIS 33 -9.298 7.995 -24.394 264 HD2 HIS 33 HD2 HIS 33 -12.224 5.881 -22.337 265 HE1 HIS 33 HE1 HIS 33 -9.870 9.410 -22.396 266 HA PRO 34 HA PRO 34 -12.302 0.755 -25.448 267 HB2 PRO 34 2HB PRO 34 -14.939 1.283 -25.071 268 HB3 PRO 34 3HB PRO 34 -13.883 0.696 -23.781 269 HG2 PRO 34 2HG PRO 34 -14.790 3.489 -24.363 270 HG3 PRO 34 3HG PRO 34 -14.668 2.655 -22.803 271 HD2 PRO 34 2HD PRO 34 -12.797 4.412 -23.665 272 HD3 PRO 34 3HD PRO 34 -12.397 3.015 -22.645 273 H VAL 35 H VAL 35 -13.210 0.206 -27.413 274 HA VAL 35 HA VAL 35 -13.234 2.220 -29.426 275 HB VAL 35 HB VAL 35 -12.519 -0.025 -29.983 276 HG11 VAL 35 1HG1 VAL 35 -14.716 -0.817 -28.446 277 HG12 VAL 35 2HG1 VAL 35 -15.068 -1.355 -30.089 278 HG13 VAL 35 3HG1 VAL 35 -13.574 -1.857 -29.297 279 HG21 VAL 35 3HG2 VAL 35 -14.033 1.537 -31.549 280 HG22 VAL 35 1HG2 VAL 35 -13.370 -0.008 -32.082 281 HG23 VAL 35 2HG2 VAL 35 -15.040 0.090 -31.524 282 H SER 36 H SER 36 -14.863 3.413 -30.176 283 HA SER 36 HA SER 36 -17.461 3.204 -28.958 284 HB2 SER 36 2HB SER 36 -16.550 5.031 -31.194 285 HB3 SER 36 3HB SER 36 -17.998 5.223 -30.205 286 HG SER 36 HG SER 36 -15.408 5.897 -29.660 287 H ALA 37 H ALA 37 -19.356 2.545 -29.869 288 HA ALA 37 HA ALA 37 -19.254 0.648 -31.959 289 HB1 ALA 37 1HB ALA 37 -21.865 1.870 -31.311 290 HB2 ALA 37 2HB ALA 37 -21.398 0.172 -31.416 291 HB3 ALA 37 3HB ALA 37 -20.994 1.110 -29.978 292 H GLU 38 H GLU 38 -19.993 4.067 -31.876 293 HA GLU 38 HA GLU 38 -21.340 4.432 -34.251 294 HB2 GLU 38 2HB GLU 38 -20.358 6.695 -34.300 295 HB3 GLU 38 3HB GLU 38 -20.943 6.258 -32.701 296 HG2 GLU 38 2HG GLU 38 -18.374 5.464 -32.511 297 HG3 GLU 38 3HG GLU 38 -18.213 6.813 -33.634 298 H GLU 39 H GLU 39 -17.878 3.990 -33.733 299 HA GLU 39 HA GLU 39 -17.352 4.229 -36.589 300 HB2 GLU 39 2HB GLU 39 -15.873 5.099 -34.588 301 HB3 GLU 39 3HB GLU 39 -15.258 3.452 -34.602 302 HG2 GLU 39 2HG GLU 39 -14.937 3.897 -37.151 303 HG3 GLU 39 3HG GLU 39 -14.999 5.589 -36.661 304 H LEU 40 H LEU 40 -17.253 1.812 -34.016 305 HA LEU 40 HA LEU 40 -17.033 -0.269 -36.090 306 HB2 LEU 40 2HB LEU 40 -15.727 -0.082 -33.398 307 HB3 LEU 40 3HB LEU 40 -15.983 -1.641 -34.180 308 HG LEU 40 HG LEU 40 -14.694 -0.569 -36.164 309 HD11 LEU 40 1HD1 LEU 40 -13.862 1.201 -33.872 310 HD12 LEU 40 2HD1 LEU 40 -14.646 1.702 -35.370 311 HD13 LEU 40 3HD1 LEU 40 -13.002 1.066 -35.406 312 HD21 LEU 40 3HD2 LEU 40 -12.590 -1.346 -35.228 313 HD22 LEU 40 1HD2 LEU 40 -13.902 -2.442 -34.794 314 HD23 LEU 40 2HD2 LEU 40 -13.277 -1.301 -33.603 315 HA PRO 41 HA PRO 41 -21.005 -0.834 -33.788 316 HB2 PRO 41 2HB PRO 41 -22.455 -1.447 -36.000 317 HB3 PRO 41 3HB PRO 41 -22.177 0.214 -35.463 318 HG2 PRO 41 2HG PRO 41 -20.775 -1.346 -37.599 319 HG3 PRO 41 3HG PRO 41 -21.328 0.339 -37.624 320 HD2 PRO 41 2HD PRO 41 -18.746 -0.341 -37.171 321 HD3 PRO 41 3HD PRO 41 -19.500 1.088 -36.435 322 H ASP 42 H ASP 42 -19.034 -2.733 -35.872 323 HA ASP 42 HA ASP 42 -20.436 -5.186 -35.038 324 HB2 ASP 42 2HB ASP 42 -19.737 -6.243 -36.997 325 HB3 ASP 42 3HB ASP 42 -20.081 -4.604 -37.544 326 H TYR 43 H TYR 43 -18.315 -3.496 -33.651 327 HA TYR 43 HA TYR 43 -15.860 -4.805 -33.605 328 HB2 TYR 43 2HB TYR 43 -15.414 -3.646 -31.591 329 HB3 TYR 43 3HB TYR 43 -16.493 -2.595 -32.502 330 HD1 TYR 43 HD1 TYR 43 -19.055 -2.900 -31.957 331 HD2 TYR 43 HD2 TYR 43 -15.886 -4.059 -29.365 332 HE1 TYR 43 HE1 TYR 43 -20.598 -2.818 -30.043 333 HE2 TYR 43 HE2 TYR 43 -17.420 -3.982 -27.445 334 HH TYR 43 HH TYR 43 -20.011 -2.451 -27.222 335 H HIS 44 H HIS 44 -18.875 -5.561 -31.981 336 HA HIS 44 HA HIS 44 -17.990 -7.385 -30.083 337 HB2 HIS 44 2HB HIS 44 -20.451 -6.491 -30.983 338 HB3 HIS 44 3HB HIS 44 -20.478 -8.209 -31.372 339 HD1 HIS 44 HD1 HIS 44 -21.084 -9.741 -29.513 340 HD2 HIS 44 HD2 HIS 44 -19.872 -6.013 -28.135 341 HE1 HIS 44 HE1 HIS 44 -21.479 -9.781 -27.030 342 H THR 45 H THR 45 -18.773 -7.889 -33.498 343 HA THR 45 HA THR 45 -18.129 -10.708 -33.352 344 HB THR 45 HB THR 45 -18.546 -9.177 -35.907 345 HG1 THR 45 HG1 THR 45 -20.623 -8.986 -35.485 346 HG21 THR 45 3HG2 THR 45 -18.370 -11.230 -36.756 347 HG22 THR 45 1HG2 THR 45 -19.854 -11.658 -35.906 348 HG23 THR 45 2HG2 THR 45 -18.289 -11.940 -35.144 349 H VAL 46 H VAL 46 -16.403 -7.845 -33.726 350 HA VAL 46 HA VAL 46 -14.350 -8.895 -35.470 351 HB VAL 46 HB VAL 46 -14.431 -6.347 -33.848 352 HG11 VAL 46 1HG1 VAL 46 -12.638 -5.875 -35.804 353 HG12 VAL 46 2HG1 VAL 46 -12.202 -6.436 -34.188 354 HG13 VAL 46 3HG1 VAL 46 -12.342 -7.589 -35.516 355 HG21 VAL 46 3HG2 VAL 46 -15.900 -7.001 -36.074 356 HG22 VAL 46 1HG2 VAL 46 -15.505 -5.365 -35.547 357 HG23 VAL 46 2HG2 VAL 46 -14.506 -6.166 -36.759 358 H ILE 47 H ILE 47 -14.548 -7.920 -32.049 359 HA ILE 47 HA ILE 47 -12.300 -9.744 -31.502 360 HB ILE 47 HB ILE 47 -11.706 -8.165 -29.606 361 HG12 ILE 47 2HG1 ILE 47 -13.436 -6.288 -31.232 362 HG13 ILE 47 3HG1 ILE 47 -13.789 -6.866 -29.608 363 HG21 ILE 47 1HG2 ILE 47 -10.421 -8.394 -31.711 364 HG22 ILE 47 2HG2 ILE 47 -11.372 -7.079 -32.398 365 HG23 ILE 47 3HG2 ILE 47 -10.325 -6.779 -31.011 366 HD11 ILE 47 3HD1 ILE 47 -11.413 -5.183 -30.364 367 HD12 ILE 47 1HD1 ILE 47 -12.902 -4.580 -29.637 368 HD13 ILE 47 2HD1 ILE 47 -11.870 -5.693 -28.738 369 H LYS 48 H LYS 48 -15.241 -8.216 -30.311 370 HA LYS 48 HA LYS 48 -16.786 -8.871 -28.776 371 HB2 LYS 48 2HB LYS 48 -16.250 -11.117 -30.063 372 HB3 LYS 48 3HB LYS 48 -15.537 -11.573 -28.522 373 HG2 LYS 48 2HG LYS 48 -17.526 -11.924 -27.591 374 HG3 LYS 48 3HG LYS 48 -18.181 -10.411 -28.220 375 HD2 LYS 48 2HD LYS 48 -19.377 -12.400 -29.068 376 HD3 LYS 48 3HD LYS 48 -18.632 -11.451 -30.356 377 HE2 LYS 48 2HE LYS 48 -16.799 -13.011 -30.502 378 HE3 LYS 48 3HE LYS 48 -17.409 -13.912 -29.115 379 HZ1 LYS 48 3HZ LYS 48 -18.247 -15.166 -30.794 380 HZ2 LYS 48 1HZ LYS 48 -18.372 -13.870 -31.875 381 HZ3 LYS 48 2HZ LYS 48 -19.523 -14.064 -30.650 382 H ARG 49 H ARG 49 -13.864 -8.106 -28.082 383 HA ARG 49 HA ARG 49 -14.087 -8.793 -25.227 384 HB2 ARG 49 2HB ARG 49 -11.586 -8.646 -26.914 385 HB3 ARG 49 3HB ARG 49 -11.575 -8.711 -25.157 386 HG2 ARG 49 2HG ARG 49 -12.751 -10.816 -26.961 387 HG3 ARG 49 3HG ARG 49 -11.166 -10.898 -26.190 388 HD2 ARG 49 2HD ARG 49 -13.844 -10.784 -24.810 389 HD3 ARG 49 3HD ARG 49 -12.766 -12.176 -24.907 390 HE ARG 49 HE ARG 49 -11.265 -10.220 -23.730 391 HH11 ARG 49 1HH1 ARG 49 -14.325 -11.733 -23.046 392 HH12 ARG 49 2HH1 ARG 49 -14.189 -11.531 -21.330 393 HH21 ARG 49 1HH2 ARG 49 -11.074 -9.948 -21.474 394 HH22 ARG 49 2HH2 ARG 49 -12.340 -10.514 -20.437 395 HA PRO 50 HA PRO 50 -14.243 -4.249 -25.428 396 HB2 PRO 50 2HB PRO 50 -15.564 -3.987 -23.071 397 HB3 PRO 50 3HB PRO 50 -16.382 -4.348 -24.596 398 HG2 PRO 50 2HG PRO 50 -15.579 -6.207 -22.392 399 HG3 PRO 50 3HG PRO 50 -17.089 -6.158 -23.319 400 HD2 PRO 50 2HD PRO 50 -15.112 -7.930 -23.849 401 HD3 PRO 50 3HD PRO 50 -16.171 -7.274 -25.114 402 H VAL 51 H VAL 51 -12.897 -2.781 -24.505 403 HA VAL 51 HA VAL 51 -11.601 -3.388 -21.964 404 HB VAL 51 HB VAL 51 -10.076 -4.387 -23.562 405 HG11 VAL 51 1HG1 VAL 51 -10.883 -2.282 -25.227 406 HG12 VAL 51 2HG1 VAL 51 -9.159 -2.041 -24.939 407 HG13 VAL 51 3HG1 VAL 51 -9.739 -3.571 -25.600 408 HG21 VAL 51 3HG2 VAL 51 -8.142 -3.473 -22.720 409 HG22 VAL 51 1HG2 VAL 51 -8.724 -1.817 -22.891 410 HG23 VAL 51 2HG2 VAL 51 -9.329 -2.833 -21.583 411 H ASP 52 H ASP 52 -11.382 -1.615 -20.756 412 HA ASP 52 HA ASP 52 -11.096 0.997 -22.022 413 HB2 ASP 52 2HB ASP 52 -12.890 1.821 -20.304 414 HB3 ASP 52 3HB ASP 52 -13.404 1.124 -21.837 415 H LEU 53 H LEU 53 -10.384 2.659 -20.554 416 HA LEU 53 HA LEU 53 -8.354 1.891 -18.841 417 HB2 LEU 53 2HB LEU 53 -8.515 4.122 -19.778 418 HB3 LEU 53 3HB LEU 53 -9.967 4.438 -18.830 419 HG LEU 53 HG LEU 53 -7.958 3.747 -16.985 420 HD11 LEU 53 1HD1 LEU 53 -6.237 4.137 -18.591 421 HD12 LEU 53 2HD1 LEU 53 -6.278 5.519 -17.498 422 HD13 LEU 53 3HD1 LEU 53 -6.984 5.649 -19.109 423 HD21 LEU 53 3HD2 LEU 53 -8.635 6.589 -17.516 424 HD22 LEU 53 1HD2 LEU 53 -8.585 5.700 -15.994 425 HD23 LEU 53 2HD2 LEU 53 -9.950 5.492 -17.091 426 H SER 54 H SER 54 -11.709 2.721 -18.075 427 HA SER 54 HA SER 54 -11.434 2.532 -15.265 428 HB2 SER 54 2HB SER 54 -13.596 2.912 -17.182 429 HB3 SER 54 3HB SER 54 -14.088 1.910 -15.816 430 HG SER 54 HG SER 54 -12.973 4.517 -15.734 431 H SER 55 H SER 55 -12.266 0.202 -17.771 432 HA SER 55 HA SER 55 -13.127 -1.895 -16.126 433 HB2 SER 55 2HB SER 55 -12.149 -1.636 -18.911 434 HB3 SER 55 3HB SER 55 -12.033 -3.245 -18.198 435 HG SER 55 HG SER 55 -14.409 -1.716 -18.091 436 H ILE 56 H ILE 56 -9.895 -1.218 -17.453 437 HA ILE 56 HA ILE 56 -8.610 -3.402 -16.211 438 HB ILE 56 HB ILE 56 -7.465 -0.777 -17.167 439 HG12 ILE 56 2HG1 ILE 56 -7.218 -3.456 -18.511 440 HG13 ILE 56 3HG1 ILE 56 -8.625 -2.434 -18.787 441 HG21 ILE 56 1HG2 ILE 56 -5.296 -1.960 -17.164 442 HG22 ILE 56 2HG2 ILE 56 -5.969 -1.755 -15.548 443 HG23 ILE 56 3HG2 ILE 56 -6.069 -3.321 -16.353 444 HD11 ILE 56 3HD1 ILE 56 -7.502 -1.068 -20.141 445 HD12 ILE 56 1HD1 ILE 56 -6.083 -1.038 -19.095 446 HD13 ILE 56 2HD1 ILE 56 -6.317 -2.371 -20.227 447 H ARG 57 H ARG 57 -8.889 0.016 -15.278 448 HA ARG 57 HA ARG 57 -7.342 -0.129 -12.945 449 HB2 ARG 57 2HB ARG 57 -8.023 1.986 -14.020 450 HB3 ARG 57 3HB ARG 57 -9.684 1.692 -13.524 451 HG2 ARG 57 2HG ARG 57 -7.593 1.711 -11.419 452 HG3 ARG 57 3HG ARG 57 -8.064 3.251 -12.142 453 HD2 ARG 57 2HD ARG 57 -10.466 2.553 -11.670 454 HD3 ARG 57 3HD ARG 57 -9.782 1.280 -10.660 455 HE ARG 57 HE ARG 57 -9.247 2.856 -9.081 456 HH11 ARG 57 1HH1 ARG 57 -10.097 4.440 -12.062 457 HH12 ARG 57 2HH1 ARG 57 -10.129 6.025 -11.363 458 HH21 ARG 57 1HH2 ARG 57 -9.285 4.938 -8.148 459 HH22 ARG 57 2HH2 ARG 57 -9.665 6.307 -9.137 460 H ASP 58 H ASP 58 -10.774 -0.718 -13.510 461 HA ASP 58 HA ASP 58 -11.442 -1.051 -10.757 462 HB2 ASP 58 2HB ASP 58 -13.079 -0.458 -12.560 463 HB3 ASP 58 3HB ASP 58 -12.934 -2.106 -13.166 464 H GLY 59 H GLY 59 -10.487 -3.226 -13.360 465 HA2 GLY 59 2HA GLY 59 -11.057 -5.655 -12.036 466 HA3 GLY 59 3HA GLY 59 -9.922 -5.452 -13.363 467 H ILE 60 H ILE 60 -8.059 -3.759 -12.247 468 HA ILE 60 HA ILE 60 -6.510 -5.572 -10.712 469 HB ILE 60 HB ILE 60 -6.075 -2.630 -11.236 470 HG12 ILE 60 2HG1 ILE 60 -6.091 -3.901 -13.293 471 HG13 ILE 60 3HG1 ILE 60 -4.428 -3.477 -12.906 472 HG21 ILE 60 1HG2 ILE 60 -4.204 -4.717 -10.127 473 HG22 ILE 60 2HG2 ILE 60 -3.725 -3.097 -10.631 474 HG23 ILE 60 3HG2 ILE 60 -4.837 -3.307 -9.278 475 HD11 ILE 60 3HD1 ILE 60 -4.557 -5.747 -13.706 476 HD12 ILE 60 1HD1 ILE 60 -4.082 -5.732 -12.008 477 HD13 ILE 60 2HD1 ILE 60 -5.736 -6.148 -12.458 478 H GLU 61 H GLU 61 -8.362 -2.673 -9.905 479 HA GLU 61 HA GLU 61 -7.528 -2.448 -7.225 480 HB2 GLU 61 2HB GLU 61 -8.617 -0.583 -8.237 481 HB3 GLU 61 3HB GLU 61 -10.030 -1.545 -8.645 482 HG2 GLU 61 2HG GLU 61 -10.977 -1.170 -6.674 483 HG3 GLU 61 3HG GLU 61 -9.495 -1.549 -5.799 484 H LYS 62 H LYS 62 -10.145 -4.253 -8.748 485 HA LYS 62 HA LYS 62 -11.250 -5.155 -6.253 486 HB2 LYS 62 2HB LYS 62 -12.783 -6.425 -7.575 487 HB3 LYS 62 3HB LYS 62 -12.571 -4.871 -8.370 488 HG2 LYS 62 2HG LYS 62 -11.245 -5.805 -10.072 489 HG3 LYS 62 3HG LYS 62 -11.013 -7.308 -9.175 490 HD2 LYS 62 2HD LYS 62 -13.794 -6.507 -9.850 491 HD3 LYS 62 3HD LYS 62 -12.769 -7.104 -11.157 492 HE2 LYS 62 2HE LYS 62 -12.588 -9.205 -10.234 493 HE3 LYS 62 3HE LYS 62 -12.890 -8.627 -8.596 494 HZ1 LYS 62 3HZ LYS 62 -15.176 -8.095 -10.080 495 HZ2 LYS 62 1HZ LYS 62 -14.988 -9.239 -8.847 496 HZ3 LYS 62 2HZ LYS 62 -14.723 -9.681 -10.458 497 H GLY 63 H GLY 63 -8.778 -6.220 -8.420 498 HA2 GLY 63 2HA GLY 63 -7.125 -7.798 -7.852 499 HA3 GLY 63 3HA GLY 63 -8.202 -8.451 -6.626 500 H THR 64 H THR 64 -9.292 -7.871 -9.885 501 HA THR 64 HA THR 64 -10.481 -10.273 -10.332 502 HB THR 64 HB THR 64 -8.988 -8.879 -12.548 503 HG1 THR 64 HG1 THR 64 -11.103 -7.667 -12.637 504 HG21 THR 64 3HG2 THR 64 -10.039 -10.580 -13.613 505 HG22 THR 64 1HG2 THR 64 -11.425 -9.494 -13.519 506 HG23 THR 64 2HG2 THR 64 -11.234 -10.786 -12.333 507 H TYR 65 H TYR 65 -7.096 -9.473 -11.044 508 HA TYR 65 HA TYR 65 -6.293 -11.793 -12.289 509 HB2 TYR 65 2HB TYR 65 -4.030 -11.314 -11.170 510 HB3 TYR 65 3HB TYR 65 -4.712 -10.055 -12.194 511 HD1 TYR 65 HD2 TYR 65 -4.091 -11.073 -8.703 512 HD2 TYR 65 HD1 TYR 65 -5.343 -7.936 -11.291 513 HE1 TYR 65 HE2 TYR 65 -3.918 -9.475 -6.841 514 HE2 TYR 65 HE1 TYR 65 -5.172 -6.330 -9.437 515 HH TYR 65 HH TYR 65 -5.304 -6.535 -6.806 516 H ALA 66 H ALA 66 -6.219 -13.854 -11.711 517 HA ALA 66 HA ALA 66 -6.544 -14.545 -8.884 518 HB1 ALA 66 1HB ALA 66 -6.804 -16.908 -10.062 519 HB2 ALA 66 2HB ALA 66 -8.137 -15.756 -9.968 520 HB3 ALA 66 3HB ALA 66 -7.188 -15.889 -11.449 521 H THR 67 H THR 67 -4.351 -14.941 -11.589 522 HA THR 67 HA THR 67 -2.121 -15.423 -9.928 523 HB THR 67 HB THR 67 -2.025 -17.837 -11.369 524 HG1 THR 67 HG1 THR 67 -3.941 -18.857 -10.420 525 HG21 THR 67 3HG2 THR 67 -0.925 -17.629 -9.290 526 HG22 THR 67 1HG2 THR 67 -2.204 -18.814 -9.024 527 HG23 THR 67 2HG2 THR 67 -2.408 -17.154 -8.463 528 H ASP 68 H ASP 68 -0.299 -16.546 -11.456 529 HA ASP 68 HA ASP 68 0.242 -14.663 -13.455 530 HB2 ASP 68 2HB ASP 68 2.075 -16.209 -14.127 531 HB3 ASP 68 3HB ASP 68 2.035 -15.891 -12.395 532 H VAL 69 H VAL 69 -1.417 -17.728 -13.560 533 HA VAL 69 HA VAL 69 -1.326 -18.103 -16.373 534 HB VAL 69 HB VAL 69 -3.313 -19.157 -14.355 535 HG11 VAL 69 1HG1 VAL 69 -3.329 -19.254 -17.205 536 HG12 VAL 69 2HG1 VAL 69 -3.039 -20.878 -16.579 537 HG13 VAL 69 3HG1 VAL 69 -4.465 -19.975 -16.066 538 HG21 VAL 69 3HG2 VAL 69 -1.920 -21.274 -14.734 539 HG22 VAL 69 1HG2 VAL 69 -0.701 -20.193 -15.410 540 HG23 VAL 69 2HG2 VAL 69 -1.219 -20.001 -13.735 541 H ASP 70 H ASP 70 -3.841 -16.808 -14.212 542 HA ASP 70 HA ASP 70 -5.702 -16.189 -16.223 543 HB2 ASP 70 2HB ASP 70 -6.065 -16.279 -13.690 544 HB3 ASP 70 3HB ASP 70 -5.413 -14.644 -13.651 545 H VAL 71 H VAL 71 -3.113 -14.275 -14.755 546 HA VAL 71 HA VAL 71 -3.707 -11.848 -16.068 547 HB VAL 71 HB VAL 71 -1.098 -12.873 -14.945 548 HG11 VAL 71 1HG1 VAL 71 -0.230 -11.226 -16.229 549 HG12 VAL 71 2HG1 VAL 71 -1.772 -10.380 -16.378 550 HG13 VAL 71 3HG1 VAL 71 -0.807 -10.206 -14.912 551 HG21 VAL 71 3HG2 VAL 71 -2.066 -12.440 -12.988 552 HG22 VAL 71 1HG2 VAL 71 -2.077 -10.735 -13.441 553 HG23 VAL 71 2HG2 VAL 71 -3.482 -11.747 -13.777 554 H GLN 72 H GLN 72 -1.575 -14.548 -16.900 555 HA GLN 72 HA GLN 72 -0.391 -13.389 -19.169 556 HB2 GLN 72 2HB GLN 72 0.511 -15.390 -18.093 557 HB3 GLN 72 3HB GLN 72 -0.918 -16.302 -18.559 558 HG2 GLN 72 2HG GLN 72 -0.014 -15.285 -20.950 559 HG3 GLN 72 3HG GLN 72 1.470 -15.670 -20.081 560 HE21 GLN 72 1HE2 GLN 72 0.562 -16.961 -22.422 561 HE22 GLN 72 2HE2 GLN 72 0.250 -18.614 -22.030 562 H ASN 73 H ASN 73 -3.232 -15.500 -18.852 563 HA ASN 73 HA ASN 73 -3.842 -15.656 -21.588 564 HB2 ASN 73 2HB ASN 73 -5.846 -15.753 -19.328 565 HB3 ASN 73 3HB ASN 73 -5.983 -16.505 -20.915 566 HD21 ASN 73 1HD2 ASN 73 -6.265 -17.850 -18.464 567 HD22 ASN 73 2HD2 ASN 73 -4.988 -19.007 -18.338 568 H ASP 74 H ASP 74 -4.963 -13.421 -19.073 569 HA ASP 74 HA ASP 74 -6.802 -11.989 -20.616 570 HB2 ASP 74 2HB ASP 74 -6.392 -11.883 -18.084 571 HB3 ASP 74 3HB ASP 74 -5.110 -10.734 -18.461 572 H VAL 75 H VAL 75 -3.361 -11.332 -19.997 573 HA VAL 75 HA VAL 75 -3.155 -8.989 -21.507 574 HB VAL 75 HB VAL 75 -1.030 -11.080 -21.015 575 HG11 VAL 75 1HG1 VAL 75 0.177 -9.874 -22.454 576 HG12 VAL 75 2HG1 VAL 75 -1.014 -8.572 -22.490 577 HG13 VAL 75 3HG1 VAL 75 0.201 -8.624 -21.212 578 HG21 VAL 75 3HG2 VAL 75 -2.365 -9.438 -19.199 579 HG22 VAL 75 1HG2 VAL 75 -0.860 -10.318 -18.931 580 HG23 VAL 75 2HG2 VAL 75 -0.816 -8.643 -19.483 581 H ALA 76 H ALA 76 -2.680 -12.375 -22.450 582 HA ALA 76 HA ALA 76 -1.809 -11.946 -25.068 583 HB1 ALA 76 1HB ALA 76 -2.996 -14.271 -25.404 584 HB2 ALA 76 2HB ALA 76 -1.535 -14.125 -24.426 585 HB3 ALA 76 3HB ALA 76 -3.113 -14.211 -23.645 586 H ARG 77 H ARG 77 -5.106 -12.421 -23.822 587 HA ARG 77 HA ARG 77 -6.429 -12.288 -26.290 588 HB2 ARG 77 2HB ARG 77 -7.148 -12.440 -23.535 589 HB3 ARG 77 3HB ARG 77 -8.093 -11.156 -24.276 590 HG2 ARG 77 2HG ARG 77 -9.294 -13.247 -24.375 591 HG3 ARG 77 3HG ARG 77 -8.851 -12.725 -26.002 592 HD2 ARG 77 2HD ARG 77 -6.838 -14.418 -24.741 593 HD3 ARG 77 3HD ARG 77 -8.400 -15.215 -24.925 594 HE ARG 77 HE ARG 77 -7.970 -14.107 -27.358 595 HH11 ARG 77 1HH1 ARG 77 -6.087 -16.185 -25.296 596 HH12 ARG 77 2HH1 ARG 77 -5.276 -16.972 -26.609 597 HH21 ARG 77 1HH2 ARG 77 -6.910 -15.136 -29.096 598 HH22 ARG 77 2HH2 ARG 77 -5.745 -16.374 -28.771 599 H MET 78 H MET 78 -5.520 -9.763 -23.990 600 HA MET 78 HA MET 78 -6.860 -7.632 -25.247 601 HB2 MET 78 2HB MET 78 -4.341 -7.577 -23.576 602 HB3 MET 78 3HB MET 78 -5.328 -6.178 -23.975 603 HG2 MET 78 2HG MET 78 -7.005 -8.162 -22.824 604 HG3 MET 78 3HG MET 78 -5.587 -7.956 -21.798 605 HE1 MET 78 3HE MET 78 -8.288 -6.452 -20.000 606 HE2 MET 78 1HE MET 78 -6.855 -7.478 -20.035 607 HE3 MET 78 2HE MET 78 -6.722 -5.798 -19.518 608 H ILE 79 H ILE 79 -3.629 -8.985 -25.691 609 HA ILE 79 HA ILE 79 -2.697 -6.996 -27.480 610 HB ILE 79 HB ILE 79 -1.801 -9.865 -27.190 611 HG12 ILE 79 2HG1 ILE 79 -0.310 -7.506 -26.116 612 HG13 ILE 79 3HG1 ILE 79 -1.695 -8.115 -25.217 613 HG21 ILE 79 1HG2 ILE 79 -0.924 -9.223 -29.233 614 HG22 ILE 79 2HG2 ILE 79 -0.723 -7.544 -28.734 615 HG23 ILE 79 3HG2 ILE 79 0.368 -8.784 -28.116 616 HD11 ILE 79 3HD1 ILE 79 0.812 -9.607 -25.936 617 HD12 ILE 79 1HD1 ILE 79 0.275 -9.112 -24.331 618 HD13 ILE 79 2HD1 ILE 79 -0.612 -10.355 -25.214 619 H THR 80 H THR 80 -4.378 -10.060 -27.930 620 HA THR 80 HA THR 80 -4.130 -10.177 -30.746 621 HB THR 80 HB THR 80 -6.374 -11.364 -29.109 622 HG1 THR 80 HG1 THR 80 -4.927 -12.656 -28.283 623 HG21 THR 80 3HG2 THR 80 -5.171 -11.999 -31.796 624 HG22 THR 80 1HG2 THR 80 -6.844 -11.584 -31.421 625 HG23 THR 80 2HG2 THR 80 -6.186 -13.140 -30.913 626 H ASN 81 H ASN 81 -6.725 -8.980 -28.630 627 HA ASN 81 HA ASN 81 -8.447 -8.192 -30.738 628 HB2 ASN 81 2HB ASN 81 -9.878 -7.557 -29.091 629 HB3 ASN 81 3HB ASN 81 -8.770 -8.470 -28.071 630 HD21 ASN 81 1HD2 ASN 81 -9.733 -5.286 -29.123 631 HD22 ASN 81 2HD2 ASN 81 -8.996 -4.420 -27.822 632 H ALA 82 H ALA 82 -5.881 -6.569 -28.972 633 HA ALA 82 HA ALA 82 -6.413 -3.954 -29.940 634 HB1 ALA 82 1HB ALA 82 -4.210 -5.284 -28.481 635 HB2 ALA 82 2HB ALA 82 -3.814 -3.797 -29.343 636 HB3 ALA 82 3HB ALA 82 -5.079 -3.794 -28.115 637 H LEU 83 H LEU 83 -4.365 -6.599 -31.067 638 HA LEU 83 HA LEU 83 -3.102 -5.116 -33.139 639 HB2 LEU 83 2HB LEU 83 -1.934 -7.008 -32.469 640 HB3 LEU 83 3HB LEU 83 -3.376 -8.021 -32.485 641 HG LEU 83 HG LEU 83 -2.557 -6.971 -35.110 642 HD11 LEU 83 1HD1 LEU 83 -0.716 -8.526 -33.396 643 HD12 LEU 83 2HD1 LEU 83 -0.371 -7.404 -34.712 644 HD13 LEU 83 3HD1 LEU 83 -0.888 -9.051 -35.071 645 HD21 LEU 83 3HD2 LEU 83 -4.157 -9.020 -34.064 646 HD22 LEU 83 1HD2 LEU 83 -2.803 -9.822 -34.861 647 HD23 LEU 83 2HD2 LEU 83 -3.808 -8.685 -35.761 648 H GLU 84 H GLU 84 -5.874 -7.323 -33.050 649 HA GLU 84 HA GLU 84 -6.391 -7.277 -35.828 650 HB2 GLU 84 2HB GLU 84 -7.363 -9.053 -34.626 651 HB3 GLU 84 3HB GLU 84 -8.056 -7.975 -33.424 652 HG2 GLU 84 2HG GLU 84 -9.639 -7.133 -35.061 653 HG3 GLU 84 3HG GLU 84 -8.925 -8.165 -36.299 654 H TYR 85 H TYR 85 -7.312 -5.180 -33.189 655 HA TYR 85 HA TYR 85 -9.212 -3.707 -34.813 656 HB2 TYR 85 2HB TYR 85 -9.824 -3.930 -32.523 657 HB3 TYR 85 3HB TYR 85 -8.239 -3.395 -31.974 658 HD1 TYR 85 HD1 TYR 85 -10.711 -1.977 -34.397 659 HD2 TYR 85 HD2 TYR 85 -8.428 -1.388 -30.855 660 HE1 TYR 85 HE1 TYR 85 -11.547 0.331 -34.249 661 HE2 TYR 85 HE2 TYR 85 -9.259 0.921 -30.696 662 HH TYR 85 HH TYR 85 -11.286 2.322 -33.225 663 H ASN 86 H ASN 86 -5.880 -3.563 -33.959 664 HA ASN 86 HA ASN 86 -5.510 -0.768 -34.446 665 HB2 ASN 86 2HB ASN 86 -3.764 -3.104 -33.887 666 HB3 ASN 86 3HB ASN 86 -3.023 -1.748 -34.732 667 HD21 ASN 86 1HD2 ASN 86 -2.592 -2.804 -32.026 668 HD22 ASN 86 2HD2 ASN 86 -2.856 -1.471 -30.959 669 H ALA 87 H ALA 87 -6.103 -3.373 -36.458 670 HA ALA 87 HA ALA 87 -4.442 -2.750 -38.672 671 HB1 ALA 87 1HB ALA 87 -5.519 -4.943 -38.353 672 HB2 ALA 87 2HB ALA 87 -7.087 -4.199 -38.668 673 HB3 ALA 87 3HB ALA 87 -5.863 -4.245 -39.937 674 H LYS 88 H LYS 88 -4.543 -0.603 -39.222 675 HA LYS 88 HA LYS 88 -6.514 0.229 -41.013 676 HB2 LYS 88 2HB LYS 88 -7.483 2.113 -39.599 677 HB3 LYS 88 3HB LYS 88 -8.072 0.491 -39.259 678 HG2 LYS 88 2HG LYS 88 -6.536 0.349 -37.350 679 HG3 LYS 88 3HG LYS 88 -5.994 1.996 -37.681 680 HD2 LYS 88 2HD LYS 88 -8.226 2.846 -37.274 681 HD3 LYS 88 3HD LYS 88 -8.837 1.205 -37.048 682 HE2 LYS 88 2HE LYS 88 -8.538 1.922 -34.870 683 HE3 LYS 88 3HE LYS 88 -7.031 1.064 -35.190 684 HZ1 LYS 88 3HZ LYS 88 -6.146 2.956 -34.391 685 HZ2 LYS 88 1HZ LYS 88 -7.497 3.900 -34.773 686 HZ3 LYS 88 2HZ LYS 88 -6.371 3.512 -35.973 687 H GLY 89 H GLY 89 -4.218 1.326 -38.549 688 HA2 GLY 89 2HA GLY 89 -3.531 3.715 -40.000 689 HA3 GLY 89 3HA GLY 89 -2.725 3.095 -38.566 690 H SER 90 H SER 90 -2.851 0.553 -40.607 691 HA SER 90 HA SER 90 -1.394 -0.463 -42.036 692 HB2 SER 90 2HB SER 90 -1.279 2.302 -42.785 693 HB3 SER 90 3HB SER 90 0.343 1.616 -42.881 694 HG SER 90 HG SER 90 -1.887 0.284 -43.986 695 H THR 91 H THR 91 0.686 2.191 -40.916 696 HA THR 91 HA THR 91 2.851 0.484 -40.306 697 HB THR 91 HB THR 91 2.663 3.116 -38.930 698 HG1 THR 91 HG1 THR 91 2.704 2.758 -41.750 699 HG21 THR 91 3HG2 THR 91 4.858 2.763 -38.819 700 HG22 THR 91 1HG2 THR 91 4.949 2.821 -40.579 701 HG23 THR 91 2HG2 THR 91 4.683 1.282 -39.760 702 H TRP 92 H TRP 92 0.429 2.072 -38.253 703 HA TRP 92 HA TRP 92 1.408 1.320 -35.767 704 HB2 TRP 92 2HB TRP 92 -0.966 2.489 -36.787 705 HB3 TRP 92 3HB TRP 92 -1.453 1.167 -35.730 706 HD1 TRP 92 HD1 TRP 92 -2.183 2.384 -33.578 707 HE1 TRP 92 HE1 TRP 92 -1.067 4.035 -31.949 708 HE3 TRP 92 HE3 TRP 92 2.093 3.354 -36.207 709 HZ2 TRP 92 HZ2 TRP 92 1.311 5.548 -31.798 710 HZ3 TRP 92 HZ3 TRP 92 3.737 4.915 -35.251 711 HH2 TRP 92 HH2 TRP 92 3.352 5.989 -33.092 712 H TYR 93 H TYR 93 -0.604 -0.480 -38.036 713 HA TYR 93 HA TYR 93 -1.292 -2.628 -36.388 714 HB2 TYR 93 2HB TYR 93 -2.343 -2.270 -38.559 715 HB3 TYR 93 3HB TYR 93 -0.817 -2.590 -39.375 716 HD1 TYR 93 HD2 TYR 93 -3.336 -4.180 -37.141 717 HD2 TYR 93 HD1 TYR 93 -0.283 -4.758 -40.049 718 HE1 TYR 93 HE2 TYR 93 -3.904 -6.570 -37.254 719 HE2 TYR 93 HE1 TYR 93 -0.844 -7.150 -40.170 720 HH TYR 93 HH TYR 93 -3.409 -8.541 -38.141 721 H GLN 94 H GLN 94 1.457 -2.284 -38.622 722 HA GLN 94 HA GLN 94 2.620 -4.784 -38.074 723 HB2 GLN 94 2HB GLN 94 3.339 -2.364 -39.516 724 HB3 GLN 94 3HB GLN 94 4.731 -3.093 -38.727 725 HG2 GLN 94 2HG GLN 94 4.460 -5.120 -39.899 726 HG3 GLN 94 3HG GLN 94 2.854 -4.662 -40.464 727 HE21 GLN 94 1HE2 GLN 94 2.704 -2.924 -42.003 728 HE22 GLN 94 2HE2 GLN 94 4.009 -2.632 -43.097 729 H GLU 95 H GLU 95 3.011 -1.620 -36.566 730 HA GLU 95 HA GLU 95 5.214 -2.217 -34.939 731 HB2 GLU 95 2HB GLU 95 4.568 0.063 -35.192 732 HB3 GLU 95 3HB GLU 95 2.941 -0.263 -34.610 733 HG2 GLU 95 2HG GLU 95 4.609 0.901 -33.043 734 HG3 GLU 95 3HG GLU 95 3.614 -0.406 -32.404 735 H ALA 96 H ALA 96 1.731 -2.475 -34.292 736 HA ALA 96 HA ALA 96 2.010 -3.433 -31.641 737 HB1 ALA 96 1HB ALA 96 -0.077 -2.550 -33.143 738 HB2 ALA 96 2HB ALA 96 -0.396 -4.284 -33.082 739 HB3 ALA 96 3HB ALA 96 -0.231 -3.364 -31.586 740 H MET 97 H MET 97 1.799 -5.020 -34.778 741 HA MET 97 HA MET 97 1.479 -7.657 -33.800 742 HB2 MET 97 2HB MET 97 1.035 -6.848 -36.157 743 HB3 MET 97 3HB MET 97 2.775 -6.869 -36.409 744 HG2 MET 97 2HG MET 97 2.060 -9.374 -35.327 745 HG3 MET 97 3HG MET 97 0.906 -9.004 -36.605 746 HE1 MET 97 3HE MET 97 5.227 -10.062 -36.714 747 HE2 MET 97 1HE MET 97 4.016 -10.128 -35.434 748 HE3 MET 97 2HE MET 97 4.008 -11.337 -36.718 749 H SER 98 H SER 98 4.328 -5.775 -34.752 750 HA SER 98 HA SER 98 6.204 -7.856 -34.357 751 HB2 SER 98 2HB SER 98 6.596 -5.748 -35.683 752 HB3 SER 98 3HB SER 98 6.739 -4.886 -34.151 753 HG SER 98 HG SER 98 8.771 -5.575 -35.013 754 H PHE 99 H PHE 99 5.013 -5.262 -32.269 755 HA PHE 99 HA PHE 99 6.758 -5.784 -30.103 756 HB2 PHE 99 2HB PHE 99 4.642 -3.962 -30.696 757 HB3 PHE 99 3HB PHE 99 4.315 -4.695 -29.129 758 HD1 PHE 99 HD2 PHE 99 7.455 -3.625 -30.838 759 HD2 PHE 99 HD1 PHE 99 4.908 -3.255 -27.448 760 HE1 PHE 99 HE2 PHE 99 9.076 -2.099 -29.792 761 HE2 PHE 99 HE1 PHE 99 6.526 -1.728 -26.396 762 HZ PHE 99 HZ PHE 99 8.613 -1.149 -27.567 763 H ARG 100 H ARG 100 3.611 -7.035 -31.022 764 HA ARG 100 HA ARG 100 2.831 -8.260 -28.661 765 HB2 ARG 100 2HB ARG 100 1.269 -8.220 -30.433 766 HB3 ARG 100 3HB ARG 100 2.389 -8.993 -31.546 767 HG2 ARG 100 2HG ARG 100 2.196 -11.083 -30.329 768 HG3 ARG 100 3HG ARG 100 1.128 -10.315 -29.153 769 HD2 ARG 100 2HD ARG 100 -0.354 -9.745 -31.168 770 HD3 ARG 100 3HD ARG 100 0.606 -10.937 -32.042 771 HE ARG 100 HE ARG 100 -0.420 -11.960 -29.580 772 HH11 ARG 100 1HH1 ARG 100 -1.215 -11.296 -32.904 773 HH12 ARG 100 2HH1 ARG 100 -2.455 -12.503 -32.985 774 HH21 ARG 100 1HH2 ARG 100 -2.051 -13.553 -29.674 775 HH22 ARG 100 2HH2 ARG 100 -2.930 -13.786 -31.147 776 H LYS 101 H LYS 101 5.360 -9.110 -30.856 777 HA LYS 101 HA LYS 101 5.629 -11.843 -30.156 778 HB2 LYS 101 2HB LYS 101 6.647 -11.109 -32.180 779 HB3 LYS 101 3HB LYS 101 7.540 -9.840 -31.352 780 HG2 LYS 101 2HG LYS 101 8.055 -12.627 -30.501 781 HG3 LYS 101 3HG LYS 101 8.654 -12.136 -32.087 782 HD2 LYS 101 2HD LYS 101 9.254 -10.068 -30.231 783 HD3 LYS 101 3HD LYS 101 9.768 -11.603 -29.528 784 HE2 LYS 101 2HE LYS 101 10.660 -11.892 -32.063 785 HE3 LYS 101 3HE LYS 101 10.798 -10.145 -31.873 786 HZ1 LYS 101 3HZ LYS 101 12.265 -10.388 -30.088 787 HZ2 LYS 101 1HZ LYS 101 12.788 -11.540 -31.212 788 HZ3 LYS 101 2HZ LYS 101 11.887 -12.022 -29.864 789 H THR 102 H THR 102 6.601 -8.894 -28.636 790 HA THR 102 HA THR 102 8.148 -10.427 -26.649 791 HB THR 102 HB THR 102 9.545 -8.786 -27.790 792 HG1 THR 102 HG1 THR 102 10.180 -8.963 -25.710 793 HG21 THR 102 3HG2 THR 102 8.001 -7.153 -28.545 794 HG22 THR 102 1HG2 THR 102 9.039 -6.335 -27.378 795 HG23 THR 102 2HG2 THR 102 7.416 -6.844 -26.910 796 H TYR 103 H TYR 103 5.279 -8.805 -27.177 797 HA TYR 103 HA TYR 103 4.876 -7.440 -24.751 798 HB2 TYR 103 2HB TYR 103 3.479 -7.457 -26.966 799 HB3 TYR 103 3HB TYR 103 2.614 -8.781 -26.192 800 HD1 TYR 103 HD2 TYR 103 2.221 -8.097 -23.500 801 HD2 TYR 103 HD1 TYR 103 2.315 -5.477 -26.851 802 HE1 TYR 103 HE2 TYR 103 0.839 -6.479 -22.266 803 HE2 TYR 103 HE1 TYR 103 0.935 -3.851 -25.626 804 HH TYR 103 HH TYR 103 0.455 -3.298 -23.204 805 H LEU 104 H LEU 104 3.788 -10.688 -25.745 806 HA LEU 104 HA LEU 104 2.830 -11.371 -23.151 807 HB2 LEU 104 2HB LEU 104 2.786 -13.702 -24.111 808 HB3 LEU 104 3HB LEU 104 1.833 -12.488 -24.962 809 HG LEU 104 HG LEU 104 4.441 -12.641 -26.135 810 HD11 LEU 104 1HD1 LEU 104 4.336 -14.945 -25.108 811 HD12 LEU 104 2HD1 LEU 104 4.556 -14.886 -26.856 812 HD13 LEU 104 3HD1 LEU 104 2.972 -15.264 -26.179 813 HD21 LEU 104 3HD2 LEU 104 3.186 -13.002 -28.143 814 HD22 LEU 104 1HD2 LEU 104 2.320 -11.826 -27.154 815 HD23 LEU 104 2HD2 LEU 104 1.764 -13.499 -27.224 816 H ASP 105 H ASP 105 5.817 -11.999 -24.923 817 HA ASP 105 HA ASP 105 6.995 -13.844 -23.211 818 HB2 ASP 105 2HB ASP 105 7.927 -13.252 -25.406 819 HB3 ASP 105 3HB ASP 105 8.351 -11.654 -24.799 820 H LEU 106 H LEU 106 7.223 -10.294 -23.144 821 HA LEU 106 HA LEU 106 8.804 -10.225 -20.777 822 HB2 LEU 106 2HB LEU 106 7.421 -8.260 -22.500 823 HB3 LEU 106 3HB LEU 106 7.740 -7.766 -20.839 824 HG LEU 106 HG LEU 106 9.457 -7.040 -22.502 825 HD11 LEU 106 1HD1 LEU 106 9.762 -8.006 -19.917 826 HD12 LEU 106 2HD1 LEU 106 10.889 -6.982 -20.805 827 HD13 LEU 106 3HD1 LEU 106 11.089 -8.734 -20.824 828 HD21 LEU 106 3HD2 LEU 106 10.663 -8.477 -23.758 829 HD22 LEU 106 1HD2 LEU 106 9.244 -9.505 -23.554 830 HD23 LEU 106 2HD2 LEU 106 10.656 -9.736 -22.523 831 H ALA 107 H ALA 107 5.355 -9.977 -21.449 832 HA ALA 107 HA ALA 107 4.744 -9.533 -18.639 833 HB1 ALA 107 1HB ALA 107 2.701 -8.822 -19.302 834 HB2 ALA 107 2HB ALA 107 3.540 -8.597 -20.837 835 HB3 ALA 107 3HB ALA 107 2.564 -10.042 -20.568 836 H ARG 108 H ARG 108 6.017 -11.896 -18.839 837 HA ARG 108 HA ARG 108 4.201 -13.717 -17.702 838 HB2 ARG 108 2HB ARG 108 3.426 -13.984 -20.015 839 HB3 ARG 108 3HB ARG 108 5.062 -14.381 -20.523 840 HG2 ARG 108 2HG ARG 108 3.590 -16.351 -20.270 841 HG3 ARG 108 3HG ARG 108 5.030 -16.411 -19.251 842 HD2 ARG 108 2HD ARG 108 3.834 -16.064 -17.311 843 HD3 ARG 108 3HD ARG 108 2.504 -15.267 -18.151 844 HE ARG 108 HE ARG 108 1.501 -17.301 -18.342 845 HH11 ARG 108 1HH1 ARG 108 4.917 -17.798 -17.894 846 HH12 ARG 108 2HH1 ARG 108 4.789 -19.525 -17.825 847 HH21 ARG 108 1HH2 ARG 108 1.319 -19.573 -18.252 848 HH22 ARG 108 2HH2 ARG 108 2.742 -20.533 -18.029 849 H GLN 109 H GLN 109 7.246 -13.263 -19.413 850 HA GLN 109 HA GLN 109 8.547 -15.529 -18.282 851 HB2 GLN 109 2HB GLN 109 9.405 -14.650 -20.332 852 HB3 GLN 109 3HB GLN 109 9.588 -13.044 -19.639 853 HG2 GLN 109 2HG GLN 109 11.328 -13.910 -18.137 854 HG3 GLN 109 3HG GLN 109 11.168 -15.494 -18.894 855 HE21 GLN 109 1HE2 GLN 109 12.291 -15.912 -20.688 856 HE22 GLN 109 2HE2 GLN 109 13.231 -14.756 -21.563 857 H SER 110 H SER 110 8.209 -12.164 -17.354 858 HA SER 110 HA SER 110 10.146 -12.340 -15.230 859 HB2 SER 110 2HB SER 110 8.517 -10.251 -16.469 860 HB3 SER 110 3HB SER 110 8.620 -10.090 -14.715 861 HG SER 110 HG SER 110 10.334 -9.036 -15.912 862 H GLY 111 H GLY 111 6.763 -12.922 -15.613 863 HA2 GLY 111 2HA GLY 111 6.104 -12.685 -12.820 864 HA3 GLY 111 3HA GLY 111 5.072 -13.333 -14.086 Start of MODEL 16 1 H1 MET 1 H MET 1 11.484 0.931 -0.193 2 HA MET 1 HA MET 1 9.910 1.919 -1.918 3 HB2 MET 1 2HB MET 1 9.851 0.642 -4.048 4 HB3 MET 1 3HB MET 1 11.346 1.537 -3.818 5 HG2 MET 1 2HG MET 1 11.865 -0.952 -2.719 6 HG3 MET 1 3HG MET 1 10.920 -1.297 -4.166 7 HE1 MET 1 3HE MET 1 14.429 -2.062 -5.476 8 HE2 MET 1 1HE MET 1 13.182 -2.662 -4.382 9 HE3 MET 1 2HE MET 1 12.771 -2.253 -6.048 10 H SER 2 H SER 2 7.916 0.751 -2.541 11 HA SER 2 HA SER 2 7.082 -0.985 -0.490 12 HB2 SER 2 2HB SER 2 5.440 -1.173 -2.886 13 HB3 SER 2 3HB SER 2 5.034 -0.526 -1.296 14 HG SER 2 HG SER 2 6.138 0.785 -3.526 15 H LYS 3 H LYS 3 5.819 -3.093 -1.201 16 HA LYS 3 HA LYS 3 7.487 -4.683 -3.017 17 HB2 LYS 3 2HB LYS 3 6.791 -5.375 -0.164 18 HB3 LYS 3 3HB LYS 3 7.341 -6.571 -1.330 19 HG2 LYS 3 2HG LYS 3 9.303 -4.793 -1.617 20 HG3 LYS 3 3HG LYS 3 8.841 -4.427 0.046 21 HD2 LYS 3 2HD LYS 3 8.899 -7.163 0.050 22 HD3 LYS 3 3HD LYS 3 10.214 -6.765 -1.058 23 HE2 LYS 3 2HE LYS 3 11.089 -6.925 1.179 24 HE3 LYS 3 3HE LYS 3 11.140 -5.241 0.660 25 HZ1 LYS 3 3HZ LYS 3 9.910 -4.683 2.396 26 HZ2 LYS 3 1HZ LYS 3 9.933 -6.286 2.936 27 HZ3 LYS 3 2HZ LYS 3 8.682 -5.750 1.932 28 H ASN 4 H ASN 4 6.408 -7.012 -3.133 29 HA ASN 4 HA ASN 4 3.578 -6.523 -3.747 30 HB2 ASN 4 2HB ASN 4 3.855 -8.657 -5.131 31 HB3 ASN 4 3HB ASN 4 4.702 -7.223 -5.704 32 HD21 ASN 4 1HD2 ASN 4 6.942 -7.113 -5.522 33 HD22 ASN 4 2HD2 ASN 4 7.906 -8.520 -5.246 34 H GLU 5 H GLU 5 2.334 -7.093 -2.073 35 HA GLU 5 HA GLU 5 2.951 -8.955 -0.092 36 HB2 GLU 5 2HB GLU 5 1.188 -7.225 0.098 37 HB3 GLU 5 3HB GLU 5 0.200 -8.132 -1.038 38 HG2 GLU 5 2HG GLU 5 -0.598 -8.613 1.137 39 HG3 GLU 5 3HG GLU 5 0.254 -10.045 0.564 40 H ARG 6 H ARG 6 1.158 -9.345 -3.115 41 HA ARG 6 HA ARG 6 1.102 -12.251 -2.642 42 HB2 ARG 6 2HB ARG 6 -0.900 -10.428 -3.549 43 HB3 ARG 6 3HB ARG 6 -0.532 -11.542 -4.859 44 HG2 ARG 6 2HG ARG 6 -1.993 -12.907 -3.882 45 HG3 ARG 6 3HG ARG 6 -0.721 -13.214 -2.698 46 HD2 ARG 6 2HD ARG 6 -1.599 -11.505 -1.243 47 HD3 ARG 6 3HD ARG 6 -2.790 -11.035 -2.455 48 HE ARG 6 HE ARG 6 -3.066 -13.774 -1.774 49 HH11 ARG 6 1HH1 ARG 6 -3.708 -10.560 -0.600 50 HH12 ARG 6 2HH1 ARG 6 -5.058 -11.044 0.372 51 HH21 ARG 6 1HH2 ARG 6 -4.841 -14.423 -0.497 52 HH22 ARG 6 2HH2 ARG 6 -5.701 -13.242 0.431 53 H ASP 7 H ASP 7 0.789 -13.278 -5.078 54 HA ASP 7 HA ASP 7 2.374 -12.201 -7.138 55 HB2 ASP 7 2HB ASP 7 4.337 -13.690 -6.987 56 HB3 ASP 7 3HB ASP 7 4.240 -12.588 -5.616 57 H THR 8 H THR 8 1.163 -15.092 -5.542 58 HA THR 8 HA THR 8 1.132 -16.689 -7.920 59 HB THR 8 HB THR 8 -0.370 -18.198 -6.517 60 HG1 THR 8 HG1 THR 8 0.468 -16.607 -4.336 61 HG21 THR 8 3HG2 THR 8 1.570 -19.199 -6.080 62 HG22 THR 8 1HG2 THR 8 1.866 -18.069 -4.760 63 HG23 THR 8 2HG2 THR 8 2.420 -17.686 -6.390 64 H SER 9 H SER 9 -1.650 -15.844 -5.871 65 HA SER 9 HA SER 9 -3.554 -16.186 -7.894 66 HB2 SER 9 2HB SER 9 -3.547 -14.907 -5.198 67 HB3 SER 9 3HB SER 9 -4.905 -14.568 -6.270 68 HG SER 9 HG SER 9 -4.208 -16.906 -4.973 69 H PHE 10 H PHE 10 -1.523 -13.495 -7.095 70 HA PHE 10 HA PHE 10 -2.789 -11.945 -9.254 71 HB2 PHE 10 2HB PHE 10 -1.525 -10.692 -6.817 72 HB3 PHE 10 3HB PHE 10 -2.509 -9.909 -8.049 73 HD1 PHE 10 HD1 PHE 10 -4.786 -11.717 -8.281 74 HD2 PHE 10 HD2 PHE 10 -2.664 -10.421 -4.827 75 HE1 PHE 10 HE1 PHE 10 -6.796 -12.088 -6.912 76 HE2 PHE 10 HE2 PHE 10 -4.670 -10.791 -3.452 77 HZ PHE 10 HZ PHE 10 -6.739 -11.626 -4.493 78 H ASN 11 H ASN 11 -1.449 -11.465 -10.858 79 HA ASN 11 HA ASN 11 1.440 -11.726 -10.394 80 HB2 ASN 11 2HB ASN 11 0.081 -13.040 -12.225 81 HB3 ASN 11 3HB ASN 11 0.237 -11.537 -13.130 82 HD21 ASN 11 1HD2 ASN 11 1.945 -11.381 -14.378 83 HD22 ASN 11 2HD2 ASN 11 3.431 -12.242 -14.186 84 H LYS 12 H LYS 12 1.495 -9.587 -9.427 85 HA LYS 12 HA LYS 12 0.718 -7.221 -10.645 86 HB2 LYS 12 2HB LYS 12 1.500 -7.313 -8.339 87 HB3 LYS 12 3HB LYS 12 3.119 -7.735 -8.880 88 HG2 LYS 12 2HG LYS 12 3.305 -5.556 -9.989 89 HG3 LYS 12 3HG LYS 12 1.694 -5.134 -9.403 90 HD2 LYS 12 2HD LYS 12 2.518 -5.454 -7.080 91 HD3 LYS 12 3HD LYS 12 4.137 -5.717 -7.731 92 HE2 LYS 12 2HE LYS 12 3.889 -3.448 -8.847 93 HE3 LYS 12 3HE LYS 12 2.471 -3.214 -7.826 94 HZ1 LYS 12 3HZ LYS 12 5.301 -3.439 -7.033 95 HZ2 LYS 12 1HZ LYS 12 4.074 -3.805 -5.927 96 HZ3 LYS 12 2HZ LYS 12 4.166 -2.259 -6.607 97 H ASN 13 H ASN 13 3.551 -9.209 -11.208 98 HA ASN 13 HA ASN 13 5.121 -7.417 -12.655 99 HB2 ASN 13 2HB ASN 13 5.286 -10.092 -11.960 100 HB3 ASN 13 3HB ASN 13 5.199 -10.137 -13.719 101 HD21 ASN 13 1HD2 ASN 13 6.696 -8.628 -14.855 102 HD22 ASN 13 2HD2 ASN 13 8.284 -8.445 -14.199 103 H GLY 14 H GLY 14 2.565 -9.615 -13.773 104 HA2 GLY 14 2HA GLY 14 2.803 -9.095 -16.519 105 HA3 GLY 14 3HA GLY 14 1.345 -9.656 -15.716 106 H CYS 15 H CYS 15 0.974 -7.411 -14.010 107 HA CYS 15 HA CYS 15 -0.430 -5.701 -15.787 108 HB2 CYS 15 2HB CYS 15 -1.171 -6.157 -13.472 109 HB3 CYS 15 3HB CYS 15 0.228 -5.280 -12.864 110 HG CYS 15 HG CYS 15 -0.657 -2.845 -13.250 111 H LEU 16 H LEU 16 2.629 -5.443 -14.063 112 HA LEU 16 HA LEU 16 3.109 -2.714 -14.626 113 HB2 LEU 16 2HB LEU 16 4.250 -4.213 -12.907 114 HB3 LEU 16 3HB LEU 16 5.237 -4.800 -14.244 115 HG LEU 16 HG LEU 16 6.107 -2.538 -14.594 116 HD11 LEU 16 1HD1 LEU 16 4.184 -1.884 -12.396 117 HD12 LEU 16 2HD1 LEU 16 4.441 -1.066 -13.937 118 HD13 LEU 16 3HD1 LEU 16 5.634 -0.911 -12.648 119 HD21 LEU 16 3HD2 LEU 16 6.536 -4.184 -12.272 120 HD22 LEU 16 1HD2 LEU 16 6.849 -2.488 -11.901 121 HD23 LEU 16 2HD2 LEU 16 7.701 -3.271 -13.232 122 H VAL 17 H VAL 17 4.146 -5.702 -16.240 123 HA VAL 17 HA VAL 17 5.646 -4.414 -18.271 124 HB VAL 17 HB VAL 17 5.535 -6.579 -19.461 125 HG11 VAL 17 1HG1 VAL 17 7.289 -7.020 -18.173 126 HG12 VAL 17 2HG1 VAL 17 6.601 -6.090 -16.840 127 HG13 VAL 17 3HG1 VAL 17 6.200 -7.798 -17.025 128 HG21 VAL 17 3HG2 VAL 17 3.292 -7.267 -18.927 129 HG22 VAL 17 1HG2 VAL 17 4.417 -8.484 -18.324 130 HG23 VAL 17 2HG2 VAL 17 3.678 -7.336 -17.207 131 H PHE 18 H PHE 18 2.288 -5.442 -18.018 132 HA PHE 18 HA PHE 18 1.584 -5.063 -20.723 133 HB2 PHE 18 2HB PHE 18 0.146 -6.354 -19.284 134 HB3 PHE 18 3HB PHE 18 -0.083 -4.983 -18.204 135 HD1 PHE 18 HD1 PHE 18 -1.504 -3.109 -18.857 136 HD2 PHE 18 HD2 PHE 18 -1.070 -6.542 -21.336 137 HE1 PHE 18 HE1 PHE 18 -3.499 -2.437 -20.131 138 HE2 PHE 18 HE2 PHE 18 -3.063 -5.875 -22.614 139 HZ PHE 18 HZ PHE 18 -4.280 -3.820 -22.014 140 H VAL 19 H VAL 19 1.304 -2.929 -17.896 141 HA VAL 19 HA VAL 19 0.142 -0.755 -19.271 142 HB VAL 19 HB VAL 19 1.800 -0.735 -16.744 143 HG11 VAL 19 1HG1 VAL 19 0.654 1.404 -16.285 144 HG12 VAL 19 2HG1 VAL 19 1.693 1.480 -17.710 145 HG13 VAL 19 3HG1 VAL 19 -0.055 1.345 -17.899 146 HG21 VAL 19 3HG2 VAL 19 0.006 -1.450 -15.621 147 HG22 VAL 19 1HG2 VAL 19 -1.074 -0.365 -16.498 148 HG23 VAL 19 2HG2 VAL 19 -0.647 -1.931 -17.187 149 H SER 20 H SER 20 3.509 -1.459 -18.379 150 HA SER 20 HA SER 20 4.667 0.879 -19.367 151 HB2 SER 20 2HB SER 20 5.690 -1.900 -18.890 152 HB3 SER 20 3HB SER 20 6.722 -0.714 -19.688 153 HG SER 20 HG SER 20 6.384 -0.990 -17.129 154 H ARG 21 H ARG 21 4.189 -2.256 -20.977 155 HA ARG 21 HA ARG 21 5.282 -1.435 -23.461 156 HB2 ARG 21 2HB ARG 21 3.734 -3.768 -22.467 157 HB3 ARG 21 3HB ARG 21 3.716 -3.478 -24.202 158 HG2 ARG 21 2HG ARG 21 5.484 -4.955 -23.886 159 HG3 ARG 21 3HG ARG 21 6.265 -3.379 -24.026 160 HD2 ARG 21 2HD ARG 21 5.913 -3.432 -21.383 161 HD3 ARG 21 3HD ARG 21 5.989 -5.169 -21.680 162 HE ARG 21 HE ARG 21 8.133 -4.044 -23.019 163 HH11 ARG 21 1HH1 ARG 21 7.007 -4.306 -19.735 164 HH12 ARG 21 2HH1 ARG 21 8.598 -4.270 -19.049 165 HH21 ARG 21 1HH2 ARG 21 10.232 -3.996 -22.128 166 HH22 ARG 21 2HH2 ARG 21 10.431 -4.093 -20.411 167 H LEU 22 H LEU 22 2.020 -1.459 -22.132 168 HA LEU 22 HA LEU 22 0.594 -0.895 -24.468 169 HB2 LEU 22 2HB LEU 22 -0.829 -1.430 -22.786 170 HB3 LEU 22 3HB LEU 22 0.129 -0.596 -21.565 171 HG LEU 22 HG LEU 22 -1.339 1.070 -23.539 172 HD11 LEU 22 1HD1 LEU 22 -3.071 -0.470 -23.042 173 HD12 LEU 22 2HD1 LEU 22 -3.353 0.952 -22.038 174 HD13 LEU 22 3HD1 LEU 22 -2.647 -0.501 -21.330 175 HD21 LEU 22 3HD2 LEU 22 -0.534 2.575 -22.110 176 HD22 LEU 22 1HD2 LEU 22 -0.078 1.331 -20.945 177 HD23 LEU 22 2HD2 LEU 22 -1.719 1.979 -20.946 178 H TRP 23 H TRP 23 2.152 1.268 -22.140 179 HA TRP 23 HA TRP 23 1.244 3.692 -23.227 180 HB2 TRP 23 2HB TRP 23 3.618 2.934 -21.548 181 HB3 TRP 23 3HB TRP 23 3.428 4.583 -22.139 182 HD1 TRP 23 HD1 TRP 23 0.188 4.648 -21.725 183 HE1 TRP 23 HE1 TRP 23 -0.708 4.923 -19.328 184 HE3 TRP 23 HE3 TRP 23 4.318 3.113 -19.132 185 HZ2 TRP 23 HZ2 TRP 23 0.214 4.541 -16.687 186 HZ3 TRP 23 HZ3 TRP 23 4.229 3.098 -16.673 187 HH2 TRP 23 HH2 TRP 23 2.218 3.798 -15.478 188 H ASP 24 H ASP 24 3.991 1.645 -24.027 189 HA ASP 24 HA ASP 24 5.250 3.485 -25.788 190 HB2 ASP 24 2HB ASP 24 5.578 0.655 -25.038 191 HB3 ASP 24 3HB ASP 24 6.079 1.041 -26.682 192 H LEU 25 H LEU 25 3.094 0.711 -26.334 193 HA LEU 25 HA LEU 25 3.023 0.830 -29.122 194 HB2 LEU 25 2HB LEU 25 1.290 -0.294 -27.002 195 HB3 LEU 25 3HB LEU 25 0.568 -0.096 -28.597 196 HG LEU 25 HG LEU 25 2.171 -1.580 -29.579 197 HD11 LEU 25 1HD1 LEU 25 3.700 -2.747 -27.708 198 HD12 LEU 25 2HD1 LEU 25 3.615 -1.113 -27.049 199 HD13 LEU 25 3HD1 LEU 25 4.231 -1.375 -28.681 200 HD21 LEU 25 3HD2 LEU 25 0.778 -3.181 -28.923 201 HD22 LEU 25 1HD2 LEU 25 0.457 -2.358 -27.396 202 HD23 LEU 25 2HD2 LEU 25 1.835 -3.450 -27.536 203 H ASP 26 H ASP 26 0.890 2.363 -26.730 204 HA ASP 26 HA ASP 26 -0.695 3.696 -28.698 205 HB2 ASP 26 2HB ASP 26 -0.415 4.156 -25.721 206 HB3 ASP 26 3HB ASP 26 -1.608 4.950 -26.744 207 H LYS 27 H LYS 27 0.656 4.883 -30.026 208 HA LYS 27 HA LYS 27 2.700 6.603 -29.175 209 HB2 LYS 27 2HB LYS 27 1.583 5.818 -31.621 210 HB3 LYS 27 3HB LYS 27 1.394 7.566 -31.572 211 HG2 LYS 27 2HG LYS 27 4.037 6.644 -30.738 212 HG3 LYS 27 3HG LYS 27 3.624 6.236 -32.405 213 HD2 LYS 27 2HD LYS 27 3.254 8.512 -32.963 214 HD3 LYS 27 3HD LYS 27 3.294 9.005 -31.268 215 HE2 LYS 27 2HE LYS 27 5.366 9.563 -32.509 216 HE3 LYS 27 3HE LYS 27 5.641 8.508 -31.124 217 HZ1 LYS 27 3HZ LYS 27 6.553 8.055 -33.621 218 HZ2 LYS 27 1HZ LYS 27 5.158 7.098 -33.588 219 HZ3 LYS 27 2HZ LYS 27 6.369 6.868 -32.430 220 H LEU 28 H LEU 28 -0.755 7.067 -29.480 221 HA LEU 28 HA LEU 28 -0.881 9.852 -29.400 222 HB2 LEU 28 2HB LEU 28 -2.830 8.556 -29.894 223 HB3 LEU 28 3HB LEU 28 -2.763 7.765 -28.320 224 HG LEU 28 HG LEU 28 -3.049 10.297 -27.507 225 HD11 LEU 28 1HD1 LEU 28 -5.020 10.957 -29.251 226 HD12 LEU 28 2HD1 LEU 28 -3.812 10.273 -30.338 227 HD13 LEU 28 3HD1 LEU 28 -3.387 11.621 -29.284 228 HD21 LEU 28 3HD2 LEU 28 -4.872 9.377 -26.638 229 HD22 LEU 28 1HD2 LEU 28 -4.651 7.994 -27.710 230 HD23 LEU 28 2HD2 LEU 28 -5.657 9.352 -28.218 231 H GLY 29 H GLY 29 -0.289 7.521 -26.871 232 HA2 GLY 29 2HA GLY 29 0.620 7.885 -24.772 233 HA3 GLY 29 3HA GLY 29 0.585 9.612 -25.095 234 H MET 30 H MET 30 -2.429 8.505 -25.785 235 HA MET 30 HA MET 30 -3.426 8.529 -23.049 236 HB2 MET 30 2HB MET 30 -3.304 10.911 -24.330 237 HB3 MET 30 3HB MET 30 -4.888 10.355 -24.856 238 HG2 MET 30 2HG MET 30 -5.579 11.350 -22.974 239 HG3 MET 30 3HG MET 30 -5.058 9.845 -22.221 240 HE1 MET 30 3HE MET 30 -4.143 13.679 -22.817 241 HE2 MET 30 1HE MET 30 -5.313 13.227 -21.576 242 HE3 MET 30 2HE MET 30 -3.756 13.914 -21.112 243 H PHE 31 H PHE 31 -3.296 6.657 -25.356 244 HA PHE 31 HA PHE 31 -6.149 6.311 -25.945 245 HB2 PHE 31 2HB PHE 31 -3.843 6.029 -27.526 246 HB3 PHE 31 3HB PHE 31 -4.432 4.393 -27.253 247 HD1 PHE 31 HD1 PHE 31 -7.320 4.747 -27.193 248 HD2 PHE 31 HD2 PHE 31 -4.399 6.565 -29.700 249 HE1 PHE 31 HE1 PHE 31 -9.024 5.069 -28.939 250 HE2 PHE 31 HE2 PHE 31 -6.099 6.891 -31.449 251 HZ PHE 31 HZ PHE 31 -8.414 6.143 -31.070 252 H HIS 32 H HIS 32 -7.262 4.946 -24.731 253 HA HIS 32 HA HIS 32 -6.514 2.304 -24.198 254 HB2 HIS 32 2HB HIS 32 -6.343 2.625 -21.628 255 HB3 HIS 32 3HB HIS 32 -4.918 2.930 -22.617 256 HD1 HIS 32 HD1 HIS 32 -7.786 4.939 -21.122 257 HD2 HIS 32 HD2 HIS 32 -3.765 5.319 -22.097 258 HE1 HIS 32 HE1 HIS 32 -7.110 7.223 -20.314 259 H HIS 33 H HIS 33 -8.751 2.714 -25.160 260 HA HIS 33 HA HIS 33 -10.686 2.316 -23.045 261 HB2 HIS 33 2HB HIS 33 -10.622 4.764 -24.737 262 HB3 HIS 33 3HB HIS 33 -12.197 4.044 -24.413 263 HD1 HIS 33 HD1 HIS 33 -9.931 6.446 -23.075 264 HD2 HIS 33 HD2 HIS 33 -12.529 3.647 -21.440 265 HE1 HIS 33 HE1 HIS 33 -10.317 7.191 -20.704 266 HA PRO 34 HA PRO 34 -12.553 -0.392 -25.946 267 HB2 PRO 34 2HB PRO 34 -15.192 -0.149 -25.357 268 HB3 PRO 34 3HB PRO 34 -14.044 -0.976 -24.298 269 HG2 PRO 34 2HG PRO 34 -15.128 1.809 -24.111 270 HG3 PRO 34 3HG PRO 34 -14.885 0.614 -22.823 271 HD2 PRO 34 2HD PRO 34 -13.156 2.650 -23.267 272 HD3 PRO 34 3HD PRO 34 -12.631 1.069 -22.655 273 H VAL 35 H VAL 35 -13.524 -0.479 -27.955 274 HA VAL 35 HA VAL 35 -13.758 1.976 -29.378 275 HB VAL 35 HB VAL 35 -14.289 0.644 -31.315 276 HG11 VAL 35 1HG1 VAL 35 -12.342 -0.742 -31.429 277 HG12 VAL 35 2HG1 VAL 35 -11.948 0.670 -30.446 278 HG13 VAL 35 3HG1 VAL 35 -12.275 -0.881 -29.672 279 HG21 VAL 35 3HG2 VAL 35 -14.491 -1.882 -30.999 280 HG22 VAL 35 1HG2 VAL 35 -14.823 -1.523 -29.305 281 HG23 VAL 35 2HG2 VAL 35 -15.890 -0.901 -30.564 282 H SER 36 H SER 36 -15.558 2.977 -30.238 283 HA SER 36 HA SER 36 -18.000 2.623 -28.759 284 HB2 SER 36 2HB SER 36 -17.180 4.870 -29.371 285 HB3 SER 36 3HB SER 36 -17.389 4.475 -31.077 286 HG SER 36 HG SER 36 -19.200 5.402 -29.356 287 H ALA 37 H ALA 37 -19.947 1.866 -29.480 288 HA ALA 37 HA ALA 37 -19.943 -0.083 -31.521 289 HB1 ALA 37 1HB ALA 37 -22.510 1.100 -30.596 290 HB2 ALA 37 2HB ALA 37 -22.068 -0.589 -30.851 291 HB3 ALA 37 3HB ALA 37 -21.495 0.265 -29.419 292 H GLU 38 H GLU 38 -20.926 3.289 -31.443 293 HA GLU 38 HA GLU 38 -22.425 3.465 -33.758 294 HB2 GLU 38 2HB GLU 38 -20.417 5.538 -32.874 295 HB3 GLU 38 3HB GLU 38 -21.885 5.802 -33.804 296 HG2 GLU 38 2HG GLU 38 -23.096 4.856 -31.734 297 HG3 GLU 38 3HG GLU 38 -21.583 5.190 -30.895 298 H GLU 39 H GLU 39 -18.913 3.462 -33.380 299 HA GLU 39 HA GLU 39 -18.543 3.687 -36.263 300 HB2 GLU 39 2HB GLU 39 -16.693 3.754 -33.899 301 HB3 GLU 39 3HB GLU 39 -16.060 3.502 -35.519 302 HG2 GLU 39 2HG GLU 39 -17.420 5.636 -36.099 303 HG3 GLU 39 3HG GLU 39 -17.380 5.911 -34.358 304 H LEU 40 H LEU 40 -18.444 1.320 -33.722 305 HA LEU 40 HA LEU 40 -17.840 -0.743 -35.726 306 HB2 LEU 40 2HB LEU 40 -16.681 -0.490 -32.960 307 HB3 LEU 40 3HB LEU 40 -16.627 -1.982 -33.897 308 HG LEU 40 HG LEU 40 -15.517 -0.239 -35.653 309 HD11 LEU 40 1HD1 LEU 40 -15.637 1.285 -33.386 310 HD12 LEU 40 2HD1 LEU 40 -14.508 1.522 -34.719 311 HD13 LEU 40 3HD1 LEU 40 -14.012 0.604 -33.297 312 HD21 LEU 40 3HD2 LEU 40 -13.533 -1.381 -35.272 313 HD22 LEU 40 1HD2 LEU 40 -14.753 -2.502 -34.667 314 HD23 LEU 40 2HD2 LEU 40 -13.826 -1.516 -33.537 315 HA PRO 41 HA PRO 41 -21.774 -1.674 -33.465 316 HB2 PRO 41 2HB PRO 41 -23.139 -2.418 -35.690 317 HB3 PRO 41 3HB PRO 41 -23.026 -0.739 -35.149 318 HG2 PRO 41 2HG PRO 41 -21.463 -2.153 -37.275 319 HG3 PRO 41 3HG PRO 41 -22.174 -0.529 -37.302 320 HD2 PRO 41 2HD PRO 41 -19.543 -0.959 -36.828 321 HD3 PRO 41 3HD PRO 41 -20.438 0.390 -36.097 322 H ASP 42 H ASP 42 -19.613 -3.371 -35.536 323 HA ASP 42 HA ASP 42 -20.765 -5.946 -34.690 324 HB2 ASP 42 2HB ASP 42 -19.985 -6.942 -36.657 325 HB3 ASP 42 3HB ASP 42 -20.537 -5.360 -37.199 326 H TYR 43 H TYR 43 -18.786 -4.049 -33.357 327 HA TYR 43 HA TYR 43 -16.209 -5.037 -33.351 328 HB2 TYR 43 2HB TYR 43 -15.915 -3.973 -31.243 329 HB3 TYR 43 3HB TYR 43 -17.089 -3.002 -32.125 330 HD1 TYR 43 HD1 TYR 43 -19.605 -3.586 -31.653 331 HD2 TYR 43 HD2 TYR 43 -16.384 -4.594 -29.062 332 HE1 TYR 43 HE1 TYR 43 -21.184 -3.782 -29.777 333 HE2 TYR 43 HE2 TYR 43 -17.954 -4.794 -27.180 334 HH TYR 43 HH TYR 43 -20.103 -4.155 -26.499 335 H HIS 44 H HIS 44 -19.069 -6.299 -31.762 336 HA HIS 44 HA HIS 44 -17.789 -8.150 -30.063 337 HB2 HIS 44 2HB HIS 44 -20.360 -7.332 -30.394 338 HB3 HIS 44 3HB HIS 44 -20.427 -8.927 -31.137 339 HD1 HIS 44 HD1 HIS 44 -19.961 -10.974 -29.580 340 HD2 HIS 44 HD2 HIS 44 -20.120 -7.309 -27.630 341 HE1 HIS 44 HE1 HIS 44 -20.163 -11.522 -27.134 342 H THR 45 H THR 45 -18.876 -8.341 -33.406 343 HA THR 45 HA THR 45 -18.169 -11.147 -33.611 344 HB THR 45 HB THR 45 -18.724 -9.604 -36.077 345 HG1 THR 45 HG1 THR 45 -20.860 -10.192 -34.303 346 HG21 THR 45 3HG2 THR 45 -19.171 -11.663 -36.795 347 HG22 THR 45 1HG2 THR 45 -20.461 -11.819 -35.603 348 HG23 THR 45 2HG2 THR 45 -18.813 -12.290 -35.186 349 H VAL 46 H VAL 46 -16.566 -8.199 -33.843 350 HA VAL 46 HA VAL 46 -14.610 -9.121 -35.800 351 HB VAL 46 HB VAL 46 -14.764 -6.515 -34.278 352 HG11 VAL 46 1HG1 VAL 46 -13.183 -5.935 -36.333 353 HG12 VAL 46 2HG1 VAL 46 -12.550 -6.549 -34.805 354 HG13 VAL 46 3HG1 VAL 46 -12.777 -7.643 -36.170 355 HG21 VAL 46 3HG2 VAL 46 -16.100 -5.722 -35.880 356 HG22 VAL 46 1HG2 VAL 46 -15.102 -6.415 -37.158 357 HG23 VAL 46 2HG2 VAL 46 -16.340 -7.397 -36.375 358 H ILE 47 H ILE 47 -14.621 -7.957 -32.431 359 HA ILE 47 HA ILE 47 -12.163 -9.523 -31.988 360 HB ILE 47 HB ILE 47 -11.718 -7.875 -30.104 361 HG12 ILE 47 2HG1 ILE 47 -13.767 -6.278 -31.655 362 HG13 ILE 47 3HG1 ILE 47 -13.944 -6.866 -30.005 363 HG21 ILE 47 1HG2 ILE 47 -11.640 -6.808 -32.923 364 HG22 ILE 47 2HG2 ILE 47 -10.627 -6.288 -31.577 365 HG23 ILE 47 3HG2 ILE 47 -10.467 -7.922 -32.220 366 HD11 ILE 47 3HD1 ILE 47 -11.902 -4.862 -30.937 367 HD12 ILE 47 1HD1 ILE 47 -13.399 -4.491 -30.081 368 HD13 ILE 47 2HD1 ILE 47 -12.133 -5.424 -29.281 369 H LYS 48 H LYS 48 -15.314 -8.608 -30.808 370 HA LYS 48 HA LYS 48 -16.714 -9.668 -29.346 371 HB2 LYS 48 2HB LYS 48 -14.932 -11.683 -30.063 372 HB3 LYS 48 3HB LYS 48 -14.903 -11.691 -28.304 373 HG2 LYS 48 2HG LYS 48 -16.818 -12.792 -28.260 374 HG3 LYS 48 3HG LYS 48 -17.609 -11.492 -29.155 375 HD2 LYS 48 2HD LYS 48 -17.846 -13.625 -30.316 376 HD3 LYS 48 3HD LYS 48 -16.872 -12.496 -31.262 377 HE2 LYS 48 2HE LYS 48 -14.890 -13.635 -30.797 378 HE3 LYS 48 3HE LYS 48 -15.586 -14.472 -29.411 379 HZ1 LYS 48 3HZ LYS 48 -15.690 -16.147 -30.898 380 HZ2 LYS 48 1HZ LYS 48 -15.745 -15.122 -32.244 381 HZ3 LYS 48 2HZ LYS 48 -17.143 -15.399 -31.334 382 H ARG 49 H ARG 49 -13.405 -9.970 -28.037 383 HA ARG 49 HA ARG 49 -14.369 -8.747 -25.544 384 HB2 ARG 49 2HB ARG 49 -12.846 -11.030 -25.973 385 HB3 ARG 49 3HB ARG 49 -11.666 -9.827 -25.471 386 HG2 ARG 49 2HG ARG 49 -14.180 -10.482 -23.950 387 HG3 ARG 49 3HG ARG 49 -12.590 -11.166 -23.607 388 HD2 ARG 49 2HD ARG 49 -12.109 -8.454 -23.698 389 HD3 ARG 49 3HD ARG 49 -13.692 -8.558 -22.928 390 HE ARG 49 HE ARG 49 -11.173 -9.341 -21.810 391 HH11 ARG 49 1HH1 ARG 49 -14.606 -9.917 -21.754 392 HH12 ARG 49 2HH1 ARG 49 -14.608 -10.533 -20.134 393 HH21 ARG 49 1HH2 ARG 49 -11.163 -10.150 -19.677 394 HH22 ARG 49 2HH2 ARG 49 -12.649 -10.664 -18.954 395 HA PRO 50 HA PRO 50 -12.072 -5.236 -27.294 396 HB2 PRO 50 2HB PRO 50 -13.365 -3.380 -25.794 397 HB3 PRO 50 3HB PRO 50 -14.034 -4.040 -27.291 398 HG2 PRO 50 2HG PRO 50 -14.636 -4.787 -24.455 399 HG3 PRO 50 3HG PRO 50 -15.753 -4.561 -25.814 400 HD2 PRO 50 2HD PRO 50 -14.951 -7.009 -24.979 401 HD3 PRO 50 3HD PRO 50 -15.324 -6.655 -26.678 402 H VAL 51 H VAL 51 -11.339 -3.154 -25.818 403 HA VAL 51 HA VAL 51 -10.129 -4.196 -23.353 404 HB VAL 51 HB VAL 51 -8.422 -4.390 -25.085 405 HG11 VAL 51 1HG1 VAL 51 -9.444 -2.500 -26.470 406 HG12 VAL 51 2HG1 VAL 51 -8.507 -1.411 -25.445 407 HG13 VAL 51 3HG1 VAL 51 -7.685 -2.621 -26.431 408 HG21 VAL 51 3HG2 VAL 51 -7.662 -3.856 -22.862 409 HG22 VAL 51 1HG2 VAL 51 -6.678 -2.975 -24.030 410 HG23 VAL 51 2HG2 VAL 51 -7.946 -2.137 -23.135 411 H ASP 52 H ASP 52 -10.013 -2.767 -21.697 412 HA ASP 52 HA ASP 52 -10.521 0.067 -22.229 413 HB2 ASP 52 2HB ASP 52 -12.721 -0.804 -21.750 414 HB3 ASP 52 3HB ASP 52 -12.124 -1.648 -20.324 415 H LEU 53 H LEU 53 -9.895 1.476 -20.501 416 HA LEU 53 HA LEU 53 -7.571 0.523 -19.104 417 HB2 LEU 53 2HB LEU 53 -7.620 2.745 -20.106 418 HB3 LEU 53 3HB LEU 53 -8.952 3.203 -19.047 419 HG LEU 53 HG LEU 53 -7.296 2.719 -17.126 420 HD11 LEU 53 1HD1 LEU 53 -5.157 3.461 -19.030 421 HD12 LEU 53 2HD1 LEU 53 -5.683 1.778 -19.029 422 HD13 LEU 53 3HD1 LEU 53 -5.080 2.514 -17.544 423 HD21 LEU 53 3HD2 LEU 53 -6.369 5.088 -18.626 424 HD22 LEU 53 1HD2 LEU 53 -6.969 4.950 -16.973 425 HD23 LEU 53 2HD2 LEU 53 -8.104 4.980 -18.323 426 H SER 54 H SER 54 -10.776 1.729 -18.179 427 HA SER 54 HA SER 54 -10.355 1.498 -15.383 428 HB2 SER 54 2HB SER 54 -13.052 1.360 -16.724 429 HB3 SER 54 3HB SER 54 -12.649 2.020 -15.139 430 HG SER 54 HG SER 54 -12.992 3.623 -16.794 431 H SER 55 H SER 55 -11.775 -0.639 -17.812 432 HA SER 55 HA SER 55 -12.755 -2.612 -16.083 433 HB2 SER 55 2HB SER 55 -11.679 -2.980 -18.890 434 HB3 SER 55 3HB SER 55 -12.750 -4.089 -18.034 435 HG SER 55 HG SER 55 -14.361 -2.547 -18.093 436 H ILE 56 H ILE 56 -9.631 -2.411 -17.775 437 HA ILE 56 HA ILE 56 -8.573 -4.790 -16.669 438 HB ILE 56 HB ILE 56 -7.126 -2.391 -17.796 439 HG12 ILE 56 2HG1 ILE 56 -7.640 -5.045 -19.133 440 HG13 ILE 56 3HG1 ILE 56 -8.755 -3.691 -19.279 441 HG21 ILE 56 1HG2 ILE 56 -5.225 -3.930 -18.078 442 HG22 ILE 56 2HG2 ILE 56 -5.646 -3.685 -16.384 443 HG23 ILE 56 3HG2 ILE 56 -6.122 -5.172 -17.205 444 HD11 ILE 56 3HD1 ILE 56 -6.247 -2.642 -19.887 445 HD12 ILE 56 1HD1 ILE 56 -6.313 -4.210 -20.692 446 HD13 ILE 56 2HD1 ILE 56 -7.561 -3.004 -21.007 447 H ARG 57 H ARG 57 -8.132 -1.368 -15.805 448 HA ARG 57 HA ARG 57 -6.338 -1.704 -13.709 449 HB2 ARG 57 2HB ARG 57 -6.779 0.495 -14.537 450 HB3 ARG 57 3HB ARG 57 -8.490 0.363 -14.152 451 HG2 ARG 57 2HG ARG 57 -7.367 1.797 -12.561 452 HG3 ARG 57 3HG ARG 57 -7.944 0.331 -11.765 453 HD2 ARG 57 2HD ARG 57 -5.859 -0.395 -11.306 454 HD3 ARG 57 3HD ARG 57 -5.208 0.191 -12.836 455 HE ARG 57 HE ARG 57 -5.170 1.545 -10.322 456 HH11 ARG 57 1HH1 ARG 57 -5.288 2.016 -13.770 457 HH12 ARG 57 2HH1 ARG 57 -4.572 3.592 -13.710 458 HH21 ARG 57 1HH2 ARG 57 -4.227 3.620 -10.231 459 HH22 ARG 57 2HH2 ARG 57 -3.968 4.503 -11.697 460 H ASP 58 H ASP 58 -9.863 -1.899 -13.727 461 HA ASP 58 HA ASP 58 -10.106 -2.217 -10.898 462 HB2 ASP 58 2HB ASP 58 -11.949 -1.348 -12.286 463 HB3 ASP 58 3HB ASP 58 -12.070 -2.909 -13.094 464 H GLY 59 H GLY 59 -9.777 -4.392 -13.632 465 HA2 GLY 59 2HA GLY 59 -10.498 -6.786 -12.326 466 HA3 GLY 59 3HA GLY 59 -9.483 -6.666 -13.755 467 H ILE 60 H ILE 60 -7.294 -5.333 -12.869 468 HA ILE 60 HA ILE 60 -5.879 -7.362 -11.485 469 HB ILE 60 HB ILE 60 -5.138 -4.556 -12.283 470 HG12 ILE 60 2HG1 ILE 60 -3.403 -6.266 -13.504 471 HG13 ILE 60 3HG1 ILE 60 -4.846 -7.269 -13.405 472 HG21 ILE 60 1HG2 ILE 60 -3.652 -6.499 -10.578 473 HG22 ILE 60 2HG2 ILE 60 -2.757 -5.470 -11.695 474 HG23 ILE 60 3HG2 ILE 60 -3.769 -4.744 -10.447 475 HD11 ILE 60 3HD1 ILE 60 -6.064 -5.876 -14.782 476 HD12 ILE 60 1HD1 ILE 60 -5.020 -4.488 -14.474 477 HD13 ILE 60 2HD1 ILE 60 -4.452 -5.810 -15.494 478 H GLU 61 H GLU 61 -7.139 -4.200 -10.525 479 HA GLU 61 HA GLU 61 -6.001 -4.163 -7.940 480 HB2 GLU 61 2HB GLU 61 -8.237 -2.705 -9.286 481 HB3 GLU 61 3HB GLU 61 -8.067 -2.577 -7.541 482 HG2 GLU 61 2HG GLU 61 -5.529 -2.173 -8.818 483 HG3 GLU 61 3HG GLU 61 -6.743 -1.093 -9.501 484 H LYS 62 H LYS 62 -8.889 -5.616 -9.251 485 HA LYS 62 HA LYS 62 -9.887 -6.305 -6.600 486 HB2 LYS 62 2HB LYS 62 -11.002 -6.803 -9.365 487 HB3 LYS 62 3HB LYS 62 -11.786 -7.318 -7.877 488 HG2 LYS 62 2HG LYS 62 -11.105 -4.449 -8.459 489 HG3 LYS 62 3HG LYS 62 -12.647 -5.189 -8.898 490 HD2 LYS 62 2HD LYS 62 -13.327 -5.390 -6.712 491 HD3 LYS 62 3HD LYS 62 -11.675 -5.453 -6.092 492 HE2 LYS 62 2HE LYS 62 -11.395 -3.093 -6.454 493 HE3 LYS 62 3HE LYS 62 -12.955 -2.989 -7.268 494 HZ1 LYS 62 3HZ LYS 62 -14.095 -3.176 -5.304 495 HZ2 LYS 62 1HZ LYS 62 -12.731 -2.320 -4.784 496 HZ3 LYS 62 2HZ LYS 62 -12.841 -3.984 -4.506 497 H GLY 63 H GLY 63 -7.893 -7.614 -9.015 498 HA2 GLY 63 2HA GLY 63 -6.706 -9.600 -8.989 499 HA3 GLY 63 3HA GLY 63 -7.569 -10.054 -7.527 500 H THR 64 H THR 64 -9.272 -9.103 -10.413 501 HA THR 64 HA THR 64 -11.017 -11.197 -10.515 502 HB THR 64 HB THR 64 -9.871 -9.723 -12.895 503 HG1 THR 64 HG1 THR 64 -12.389 -9.192 -11.770 504 HG21 THR 64 3HG2 THR 64 -10.965 -11.513 -13.877 505 HG22 THR 64 1HG2 THR 64 -12.255 -10.316 -13.774 506 HG23 THR 64 2HG2 THR 64 -12.166 -11.619 -12.590 507 H TYR 65 H TYR 65 -7.731 -11.104 -11.739 508 HA TYR 65 HA TYR 65 -7.765 -13.394 -13.337 509 HB2 TYR 65 2HB TYR 65 -5.537 -12.158 -11.715 510 HB3 TYR 65 3HB TYR 65 -5.293 -13.485 -12.845 511 HD1 TYR 65 HD2 TYR 65 -7.083 -12.658 -15.060 512 HD2 TYR 65 HD1 TYR 65 -4.384 -10.376 -12.691 513 HE1 TYR 65 HE2 TYR 65 -6.837 -11.047 -16.902 514 HE2 TYR 65 HE1 TYR 65 -4.131 -8.758 -14.526 515 HH TYR 65 HH TYR 65 -6.167 -8.453 -17.001 516 H ALA 66 H ALA 66 -6.040 -15.243 -12.541 517 HA ALA 66 HA ALA 66 -7.005 -16.245 -9.949 518 HB1 ALA 66 1HB ALA 66 -7.942 -17.238 -12.290 519 HB2 ALA 66 2HB ALA 66 -6.564 -18.301 -11.997 520 HB3 ALA 66 3HB ALA 66 -7.839 -18.155 -10.787 521 H THR 67 H THR 67 -4.549 -16.357 -12.472 522 HA THR 67 HA THR 67 -2.437 -16.588 -10.586 523 HB THR 67 HB THR 67 -2.006 -18.915 -12.190 524 HG1 THR 67 HG1 THR 67 -3.778 -20.093 -11.840 525 HG21 THR 67 3HG2 THR 67 -0.831 -18.946 -10.235 526 HG22 THR 67 1HG2 THR 67 -2.226 -19.894 -9.720 527 HG23 THR 67 2HG2 THR 67 -2.126 -18.180 -9.316 528 H ASP 68 H ASP 68 -0.395 -17.554 -12.060 529 HA ASP 68 HA ASP 68 0.215 -15.467 -13.812 530 HB2 ASP 68 2HB ASP 68 2.150 -16.838 -14.490 531 HB3 ASP 68 3HB ASP 68 1.944 -16.816 -12.741 532 H VAL 69 H VAL 69 -1.005 -18.723 -14.458 533 HA VAL 69 HA VAL 69 -0.829 -18.674 -17.251 534 HB VAL 69 HB VAL 69 -2.817 -20.112 -15.489 535 HG11 VAL 69 1HG1 VAL 69 -3.897 -20.682 -17.344 536 HG12 VAL 69 2HG1 VAL 69 -2.717 -19.835 -18.346 537 HG13 VAL 69 3HG1 VAL 69 -2.440 -21.515 -17.885 538 HG21 VAL 69 3HG2 VAL 69 -0.116 -20.810 -16.587 539 HG22 VAL 69 1HG2 VAL 69 -0.708 -20.931 -14.930 540 HG23 VAL 69 2HG2 VAL 69 -1.277 -22.066 -16.154 541 H ASP 70 H ASP 70 -3.582 -17.863 -15.141 542 HA ASP 70 HA ASP 70 -5.389 -17.145 -17.134 543 HB2 ASP 70 2HB ASP 70 -5.285 -17.045 -14.305 544 HB3 ASP 70 3HB ASP 70 -5.739 -15.435 -14.857 545 H VAL 71 H VAL 71 -2.975 -15.179 -15.445 546 HA VAL 71 HA VAL 71 -3.660 -12.701 -16.570 547 HB VAL 71 HB VAL 71 -1.015 -13.719 -15.533 548 HG11 VAL 71 1HG1 VAL 71 -0.222 -11.994 -16.794 549 HG12 VAL 71 2HG1 VAL 71 -1.754 -11.119 -16.763 550 HG13 VAL 71 3HG1 VAL 71 -0.694 -11.094 -15.353 551 HG21 VAL 71 3HG2 VAL 71 -3.417 -12.616 -14.326 552 HG22 VAL 71 1HG2 VAL 71 -2.058 -13.455 -13.578 553 HG23 VAL 71 2HG2 VAL 71 -1.964 -11.720 -13.880 554 H GLN 72 H GLN 72 -1.444 -15.232 -17.665 555 HA GLN 72 HA GLN 72 -0.336 -13.826 -19.834 556 HB2 GLN 72 2HB GLN 72 0.706 -15.844 -19.000 557 HB3 GLN 72 3HB GLN 72 -0.719 -16.792 -19.406 558 HG2 GLN 72 2HG GLN 72 0.240 -15.414 -21.730 559 HG3 GLN 72 3HG GLN 72 1.545 -16.333 -20.982 560 HE21 GLN 72 1HE2 GLN 72 -0.439 -16.568 -23.394 561 HE22 GLN 72 2HE2 GLN 72 -0.862 -18.242 -23.357 562 H ASN 73 H ASN 73 -3.149 -15.970 -19.613 563 HA ASN 73 HA ASN 73 -3.784 -15.991 -22.352 564 HB2 ASN 73 2HB ASN 73 -5.900 -16.161 -20.230 565 HB3 ASN 73 3HB ASN 73 -5.774 -17.050 -21.745 566 HD21 ASN 73 1HD2 ASN 73 -3.169 -17.947 -21.585 567 HD22 ASN 73 2HD2 ASN 73 -3.040 -19.079 -20.286 568 H ASP 74 H ASP 74 -4.893 -13.909 -19.704 569 HA ASP 74 HA ASP 74 -6.748 -12.402 -21.161 570 HB2 ASP 74 2HB ASP 74 -6.804 -12.216 -18.798 571 HB3 ASP 74 3HB ASP 74 -5.101 -11.772 -18.717 572 H VAL 75 H VAL 75 -3.319 -11.745 -20.474 573 HA VAL 75 HA VAL 75 -3.119 -9.314 -21.826 574 HB VAL 75 HB VAL 75 -0.983 -11.425 -21.495 575 HG11 VAL 75 1HG1 VAL 75 0.535 -9.398 -21.647 576 HG12 VAL 75 2HG1 VAL 75 -0.220 -9.928 -23.151 577 HG13 VAL 75 3HG1 VAL 75 -0.858 -8.527 -22.288 578 HG21 VAL 75 3HG2 VAL 75 -2.324 -9.882 -19.567 579 HG22 VAL 75 1HG2 VAL 75 -0.874 -10.863 -19.349 580 HG23 VAL 75 2HG2 VAL 75 -0.730 -9.154 -19.763 581 H ALA 76 H ALA 76 -2.564 -12.618 -23.005 582 HA ALA 76 HA ALA 76 -1.725 -11.997 -25.587 583 HB1 ALA 76 1HB ALA 76 -1.424 -14.212 -25.066 584 HB2 ALA 76 2HB ALA 76 -3.026 -14.374 -24.346 585 HB3 ALA 76 3HB ALA 76 -2.851 -14.304 -26.099 586 H ARG 77 H ARG 77 -5.013 -12.582 -24.367 587 HA ARG 77 HA ARG 77 -6.341 -12.297 -26.823 588 HB2 ARG 77 2HB ARG 77 -7.054 -12.650 -24.083 589 HB3 ARG 77 3HB ARG 77 -8.019 -11.333 -24.736 590 HG2 ARG 77 2HG ARG 77 -9.154 -12.685 -26.166 591 HG3 ARG 77 3HG ARG 77 -7.803 -13.805 -26.356 592 HD2 ARG 77 2HD ARG 77 -8.703 -13.828 -23.636 593 HD3 ARG 77 3HD ARG 77 -10.074 -14.085 -24.714 594 HE ARG 77 HE ARG 77 -8.095 -15.752 -25.636 595 HH11 ARG 77 1HH1 ARG 77 -9.812 -15.309 -22.640 596 HH12 ARG 77 2HH1 ARG 77 -9.692 -16.973 -22.174 597 HH21 ARG 77 1HH2 ARG 77 -7.931 -17.946 -25.034 598 HH22 ARG 77 2HH2 ARG 77 -8.622 -18.472 -23.536 599 H MET 78 H MET 78 -5.337 -9.939 -24.411 600 HA MET 78 HA MET 78 -6.750 -7.727 -25.438 601 HB2 MET 78 2HB MET 78 -4.134 -7.755 -23.922 602 HB3 MET 78 3HB MET 78 -5.185 -6.361 -24.136 603 HG2 MET 78 2HG MET 78 -6.534 -8.678 -22.988 604 HG3 MET 78 3HG MET 78 -5.208 -8.064 -22.004 605 HE1 MET 78 3HE MET 78 -8.380 -6.558 -20.254 606 HE2 MET 78 1HE MET 78 -8.232 -8.143 -21.015 607 HE3 MET 78 2HE MET 78 -6.911 -7.511 -20.032 608 H ILE 79 H ILE 79 -3.483 -8.948 -26.068 609 HA ILE 79 HA ILE 79 -2.718 -6.858 -27.817 610 HB ILE 79 HB ILE 79 -1.675 -9.689 -27.676 611 HG12 ILE 79 2HG1 ILE 79 -1.388 -8.611 -25.547 612 HG13 ILE 79 3HG1 ILE 79 0.172 -8.610 -26.361 613 HG21 ILE 79 1HG2 ILE 79 -0.832 -8.980 -29.681 614 HG22 ILE 79 2HG2 ILE 79 -0.835 -7.282 -29.208 615 HG23 ILE 79 3HG2 ILE 79 0.410 -8.366 -28.590 616 HD11 ILE 79 3HD1 ILE 79 -1.729 -6.299 -26.081 617 HD12 ILE 79 1HD1 ILE 79 -0.156 -6.493 -25.309 618 HD13 ILE 79 2HD1 ILE 79 -0.260 -6.271 -27.056 619 H THR 80 H THR 80 -4.284 -9.972 -28.315 620 HA THR 80 HA THR 80 -4.126 -10.006 -31.135 621 HB THR 80 HB THR 80 -6.208 -11.310 -29.371 622 HG1 THR 80 HG1 THR 80 -4.739 -12.797 -28.979 623 HG21 THR 80 3HG2 THR 80 -5.379 -11.782 -32.231 624 HG22 THR 80 1HG2 THR 80 -6.974 -11.328 -31.632 625 HG23 THR 80 2HG2 THR 80 -6.328 -12.933 -31.290 626 H ASN 81 H ASN 81 -6.688 -8.927 -28.920 627 HA ASN 81 HA ASN 81 -8.484 -8.130 -30.962 628 HB2 ASN 81 2HB ASN 81 -9.892 -7.611 -29.261 629 HB3 ASN 81 3HB ASN 81 -8.712 -8.478 -28.282 630 HD21 ASN 81 1HD2 ASN 81 -9.858 -5.335 -29.274 631 HD22 ASN 81 2HD2 ASN 81 -9.132 -4.447 -27.982 632 H ALA 82 H ALA 82 -5.924 -6.487 -29.205 633 HA ALA 82 HA ALA 82 -6.543 -3.860 -30.073 634 HB1 ALA 82 1HB ALA 82 -3.844 -4.914 -29.247 635 HB2 ALA 82 2HB ALA 82 -4.393 -3.238 -29.220 636 HB3 ALA 82 3HB ALA 82 -5.104 -4.417 -28.118 637 H LEU 83 H LEU 83 -4.461 -6.409 -31.354 638 HA LEU 83 HA LEU 83 -3.335 -4.813 -33.429 639 HB2 LEU 83 2HB LEU 83 -2.050 -6.656 -32.838 640 HB3 LEU 83 3HB LEU 83 -3.438 -7.742 -32.833 641 HG LEU 83 HG LEU 83 -2.640 -6.559 -35.436 642 HD11 LEU 83 1HD1 LEU 83 -1.190 -9.004 -34.609 643 HD12 LEU 83 2HD1 LEU 83 -0.593 -7.462 -33.997 644 HD13 LEU 83 3HD1 LEU 83 -0.722 -7.730 -35.736 645 HD21 LEU 83 3HD2 LEU 83 -3.053 -9.385 -35.396 646 HD22 LEU 83 1HD2 LEU 83 -4.028 -8.129 -36.160 647 HD23 LEU 83 2HD2 LEU 83 -4.344 -8.596 -34.489 648 H GLU 84 H GLU 84 -6.080 -7.016 -33.213 649 HA GLU 84 HA GLU 84 -6.683 -7.107 -35.966 650 HB2 GLU 84 2HB GLU 84 -7.686 -8.770 -34.643 651 HB3 GLU 84 3HB GLU 84 -8.290 -7.603 -33.475 652 HG2 GLU 84 2HG GLU 84 -10.050 -6.958 -34.831 653 HG3 GLU 84 3HG GLU 84 -9.273 -7.558 -36.295 654 H TYR 85 H TYR 85 -7.664 -4.918 -33.384 655 HA TYR 85 HA TYR 85 -9.412 -3.426 -35.154 656 HB2 TYR 85 2HB TYR 85 -10.144 -3.677 -32.872 657 HB3 TYR 85 3HB TYR 85 -8.626 -3.026 -32.262 658 HD1 TYR 85 HD1 TYR 85 -11.403 -2.018 -34.559 659 HD2 TYR 85 HD2 TYR 85 -8.627 -0.832 -31.560 660 HE1 TYR 85 HE1 TYR 85 -12.380 0.240 -34.556 661 HE2 TYR 85 HE2 TYR 85 -9.597 1.429 -31.548 662 HH TYR 85 HH TYR 85 -12.256 2.299 -33.737 663 H ASN 86 H ASN 86 -6.133 -3.436 -34.302 664 HA ASN 86 HA ASN 86 -5.615 -0.637 -34.568 665 HB2 ASN 86 2HB ASN 86 -4.039 -3.089 -34.155 666 HB3 ASN 86 3HB ASN 86 -3.209 -1.834 -35.069 667 HD21 ASN 86 1HD2 ASN 86 -1.754 -1.671 -33.298 668 HD22 ASN 86 2HD2 ASN 86 -2.188 -0.774 -31.887 669 H ALA 87 H ALA 87 -6.343 -3.071 -36.774 670 HA ALA 87 HA ALA 87 -4.734 -2.289 -38.975 671 HB1 ALA 87 1HB ALA 87 -5.685 -4.465 -39.007 672 HB2 ALA 87 2HB ALA 87 -7.318 -3.825 -38.814 673 HB3 ALA 87 3HB ALA 87 -6.438 -3.556 -40.318 674 H LYS 88 H LYS 88 -4.817 -0.105 -39.349 675 HA LYS 88 HA LYS 88 -7.232 0.858 -40.650 676 HB2 LYS 88 2HB LYS 88 -7.671 1.595 -38.418 677 HB3 LYS 88 3HB LYS 88 -6.023 2.177 -38.220 678 HG2 LYS 88 2HG LYS 88 -6.412 4.099 -39.364 679 HG3 LYS 88 3HG LYS 88 -7.634 3.364 -40.404 680 HD2 LYS 88 2HD LYS 88 -9.298 3.537 -38.757 681 HD3 LYS 88 3HD LYS 88 -8.118 3.810 -37.473 682 HE2 LYS 88 2HE LYS 88 -7.839 6.015 -38.013 683 HE3 LYS 88 3HE LYS 88 -8.225 5.760 -39.714 684 HZ1 LYS 88 3HZ LYS 88 -10.255 6.491 -39.280 685 HZ2 LYS 88 1HZ LYS 88 -9.922 6.604 -37.625 686 HZ3 LYS 88 2HZ LYS 88 -10.516 5.159 -38.271 687 H GLY 89 H GLY 89 -3.899 1.520 -39.654 688 HA2 GLY 89 2HA GLY 89 -3.579 3.255 -42.010 689 HA3 GLY 89 3HA GLY 89 -2.510 3.224 -40.615 690 H SER 90 H SER 90 -0.924 1.631 -40.455 691 HA SER 90 HA SER 90 -0.633 -0.586 -42.121 692 HB2 SER 90 2HB SER 90 -0.148 0.432 -44.086 693 HB3 SER 90 3HB SER 90 0.227 1.969 -43.306 694 HG SER 90 HG SER 90 2.276 1.397 -43.121 695 H THR 91 H THR 91 1.603 2.019 -41.149 696 HA THR 91 HA THR 91 3.597 0.262 -40.205 697 HB THR 91 HB THR 91 3.158 3.162 -39.467 698 HG1 THR 91 HG1 THR 91 4.092 3.622 -41.325 699 HG21 THR 91 3HG2 THR 91 4.791 2.708 -37.984 700 HG22 THR 91 1HG2 THR 91 5.847 2.717 -39.395 701 HG23 THR 91 2HG2 THR 91 5.220 1.190 -38.772 702 H TRP 92 H TRP 92 0.780 1.658 -38.710 703 HA TRP 92 HA TRP 92 1.503 1.317 -36.010 704 HB2 TRP 92 2HB TRP 92 -0.866 2.032 -37.501 705 HB3 TRP 92 3HB TRP 92 -1.277 0.943 -36.178 706 HD1 TRP 92 HD1 TRP 92 -2.111 2.366 -34.228 707 HE1 TRP 92 HE1 TRP 92 -1.358 4.538 -33.069 708 HE3 TRP 92 HE3 TRP 92 1.802 3.601 -37.279 709 HZ2 TRP 92 HZ2 TRP 92 0.630 6.513 -33.404 710 HZ3 TRP 92 HZ3 TRP 92 3.077 5.647 -36.791 711 HH2 TRP 92 HH2 TRP 92 2.502 7.072 -34.894 712 H TYR 93 H TYR 93 -0.153 -0.819 -38.299 713 HA TYR 93 HA TYR 93 -0.754 -2.881 -36.485 714 HB2 TYR 93 2HB TYR 93 -1.825 -2.781 -38.657 715 HB3 TYR 93 3HB TYR 93 -0.277 -2.978 -39.470 716 HD1 TYR 93 HD2 TYR 93 0.872 -5.159 -39.439 717 HD2 TYR 93 HD1 TYR 93 -2.997 -4.664 -37.739 718 HE1 TYR 93 HE2 TYR 93 0.566 -7.599 -39.438 719 HE2 TYR 93 HE1 TYR 93 -3.313 -7.103 -37.733 720 HH TYR 93 HH TYR 93 -2.089 -9.118 -37.819 721 H GLN 94 H GLN 94 2.086 -2.259 -38.488 722 HA GLN 94 HA GLN 94 3.405 -4.702 -37.932 723 HB2 GLN 94 2HB GLN 94 3.996 -2.219 -39.321 724 HB3 GLN 94 3HB GLN 94 5.397 -2.825 -38.447 725 HG2 GLN 94 2HG GLN 94 5.209 -4.961 -39.587 726 HG3 GLN 94 3HG GLN 94 3.772 -4.394 -40.437 727 HE21 GLN 94 1HE2 GLN 94 4.241 -2.116 -41.481 728 HE22 GLN 94 2HE2 GLN 94 5.663 -2.074 -42.460 729 H GLU 95 H GLU 95 3.558 -1.487 -36.454 730 HA GLU 95 HA GLU 95 5.646 -2.017 -34.652 731 HB2 GLU 95 2HB GLU 95 4.961 0.252 -35.085 732 HB3 GLU 95 3HB GLU 95 3.340 -0.074 -34.488 733 HG2 GLU 95 2HG GLU 95 5.676 -0.457 -32.677 734 HG3 GLU 95 3HG GLU 95 5.074 1.168 -32.997 735 H ALA 96 H ALA 96 2.125 -2.262 -34.265 736 HA ALA 96 HA ALA 96 2.151 -3.080 -31.570 737 HB1 ALA 96 1HB ALA 96 -0.101 -4.232 -32.798 738 HB2 ALA 96 2HB ALA 96 -0.017 -2.726 -31.884 739 HB3 ALA 96 3HB ALA 96 0.203 -2.709 -33.634 740 H MET 97 H MET 97 2.033 -4.950 -34.590 741 HA MET 97 HA MET 97 1.912 -7.489 -33.361 742 HB2 MET 97 2HB MET 97 1.280 -7.170 -35.690 743 HB3 MET 97 3HB MET 97 2.923 -6.691 -36.096 744 HG2 MET 97 2HG MET 97 3.714 -8.931 -35.499 745 HG3 MET 97 3HG MET 97 2.058 -9.405 -35.128 746 HE1 MET 97 3HE MET 97 4.220 -8.392 -38.794 747 HE2 MET 97 1HE MET 97 4.782 -9.049 -37.256 748 HE3 MET 97 2HE MET 97 4.319 -10.139 -38.564 749 H SER 98 H SER 98 4.587 -5.426 -34.336 750 HA SER 98 HA SER 98 6.646 -7.334 -34.009 751 HB2 SER 98 2HB SER 98 6.867 -5.163 -35.246 752 HB3 SER 98 3HB SER 98 6.876 -4.333 -33.690 753 HG SER 98 HG SER 98 8.897 -4.840 -33.493 754 H PHE 99 H PHE 99 5.255 -4.918 -31.824 755 HA PHE 99 HA PHE 99 7.023 -5.475 -29.666 756 HB2 PHE 99 2HB PHE 99 4.870 -3.661 -30.208 757 HB3 PHE 99 3HB PHE 99 4.592 -4.430 -28.649 758 HD1 PHE 99 HD2 PHE 99 6.959 -2.390 -30.602 759 HD2 PHE 99 HD1 PHE 99 5.912 -3.896 -26.761 760 HE1 PHE 99 HE2 PHE 99 8.577 -0.855 -29.563 761 HE2 PHE 99 HE1 PHE 99 7.528 -2.363 -25.716 762 HZ PHE 99 HZ PHE 99 8.864 -0.841 -27.117 763 H ARG 100 H ARG 100 3.939 -6.760 -30.703 764 HA ARG 100 HA ARG 100 3.065 -8.034 -28.411 765 HB2 ARG 100 2HB ARG 100 1.656 -8.005 -30.336 766 HB3 ARG 100 3HB ARG 100 2.856 -8.846 -31.307 767 HG2 ARG 100 2HG ARG 100 1.853 -10.239 -28.896 768 HG3 ARG 100 3HG ARG 100 0.745 -10.066 -30.258 769 HD2 ARG 100 2HD ARG 100 3.473 -10.947 -30.936 770 HD3 ARG 100 3HD ARG 100 2.520 -12.087 -29.988 771 HE ARG 100 HE ARG 100 0.932 -11.181 -32.097 772 HH11 ARG 100 1HH1 ARG 100 3.820 -13.059 -31.590 773 HH12 ARG 100 2HH1 ARG 100 3.597 -14.026 -33.010 774 HH21 ARG 100 1HH2 ARG 100 0.629 -12.448 -33.969 775 HH22 ARG 100 2HH2 ARG 100 1.782 -13.676 -34.364 776 H LYS 101 H LYS 101 5.764 -8.785 -30.431 777 HA LYS 101 HA LYS 101 6.084 -11.510 -29.737 778 HB2 LYS 101 2HB LYS 101 8.184 -11.389 -30.791 779 HB3 LYS 101 3HB LYS 101 7.185 -10.230 -31.658 780 HG2 LYS 101 2HG LYS 101 9.057 -8.977 -31.380 781 HG3 LYS 101 3HG LYS 101 8.213 -8.559 -29.887 782 HD2 LYS 101 2HD LYS 101 10.157 -9.139 -28.910 783 HD3 LYS 101 3HD LYS 101 9.554 -10.785 -29.113 784 HE2 LYS 101 2HE LYS 101 11.019 -9.571 -31.389 785 HE3 LYS 101 3HE LYS 101 11.959 -10.021 -29.967 786 HZ1 LYS 101 3HZ LYS 101 11.235 -11.689 -31.984 787 HZ2 LYS 101 1HZ LYS 101 10.112 -12.059 -30.774 788 HZ3 LYS 101 2HZ LYS 101 11.769 -12.171 -30.453 789 H THR 102 H THR 102 6.911 -8.531 -28.152 790 HA THR 102 HA THR 102 8.358 -10.032 -26.071 791 HB THR 102 HB THR 102 9.792 -8.340 -26.930 792 HG1 THR 102 HG1 THR 102 9.845 -6.864 -25.038 793 HG21 THR 102 3HG2 THR 102 7.466 -6.448 -26.575 794 HG22 THR 102 1HG2 THR 102 8.205 -6.950 -28.095 795 HG23 THR 102 2HG2 THR 102 9.110 -5.944 -26.964 796 H TYR 103 H TYR 103 5.456 -8.474 -26.765 797 HA TYR 103 HA TYR 103 4.822 -7.306 -24.279 798 HB2 TYR 103 2HB TYR 103 3.629 -7.241 -26.658 799 HB3 TYR 103 3HB TYR 103 2.660 -8.519 -25.934 800 HD1 TYR 103 HD1 TYR 103 2.086 -7.827 -23.298 801 HD2 TYR 103 HD2 TYR 103 2.602 -5.186 -26.593 802 HE1 TYR 103 HE1 TYR 103 0.709 -6.141 -22.154 803 HE2 TYR 103 HE2 TYR 103 1.228 -3.491 -25.458 804 HH TYR 103 HH TYR 103 -0.800 -3.865 -23.372 805 H LEU 104 H LEU 104 3.910 -10.473 -25.639 806 HA LEU 104 HA LEU 104 2.696 -11.387 -23.234 807 HB2 LEU 104 2HB LEU 104 2.612 -13.555 -24.325 808 HB3 LEU 104 3HB LEU 104 2.077 -12.276 -25.413 809 HG LEU 104 HG LEU 104 4.832 -12.646 -25.890 810 HD11 LEU 104 1HD1 LEU 104 5.021 -14.767 -25.028 811 HD12 LEU 104 2HD1 LEU 104 4.541 -15.115 -26.688 812 HD13 LEU 104 3HD1 LEU 104 3.346 -15.184 -25.393 813 HD21 LEU 104 3HD2 LEU 104 2.648 -13.769 -27.602 814 HD22 LEU 104 1HD2 LEU 104 4.146 -12.973 -28.084 815 HD23 LEU 104 2HD2 LEU 104 2.828 -12.027 -27.394 816 H ASP 105 H ASP 105 5.911 -11.652 -24.619 817 HA ASP 105 HA ASP 105 6.948 -13.648 -22.953 818 HB2 ASP 105 2HB ASP 105 7.940 -11.887 -24.936 819 HB3 ASP 105 3HB ASP 105 8.966 -11.688 -23.518 820 H LEU 106 H LEU 106 6.997 -10.112 -22.576 821 HA LEU 106 HA LEU 106 8.324 -10.136 -20.074 822 HB2 LEU 106 2HB LEU 106 6.880 -8.147 -21.720 823 HB3 LEU 106 3HB LEU 106 7.029 -7.793 -20.000 824 HG LEU 106 HG LEU 106 8.780 -6.747 -21.435 825 HD11 LEU 106 1HD1 LEU 106 9.936 -6.708 -19.548 826 HD12 LEU 106 2HD1 LEU 106 10.545 -8.329 -19.874 827 HD13 LEU 106 3HD1 LEU 106 9.047 -8.117 -18.969 828 HD21 LEU 106 3HD2 LEU 106 10.194 -7.924 -22.739 829 HD22 LEU 106 1HD2 LEU 106 8.883 -9.102 -22.736 830 HD23 LEU 106 2HD2 LEU 106 10.245 -9.297 -21.633 831 H ALA 107 H ALA 107 5.085 -10.754 -20.999 832 HA ALA 107 HA ALA 107 4.226 -10.595 -18.183 833 HB1 ALA 107 1HB ALA 107 3.108 -9.163 -20.099 834 HB2 ALA 107 2HB ALA 107 2.216 -10.660 -20.370 835 HB3 ALA 107 3HB ALA 107 2.152 -9.868 -18.796 836 H ARG 108 H ARG 108 5.509 -12.809 -18.547 837 HA ARG 108 HA ARG 108 3.651 -14.864 -18.138 838 HB2 ARG 108 2HB ARG 108 3.165 -14.822 -20.475 839 HB3 ARG 108 3HB ARG 108 4.872 -14.760 -20.894 840 HG2 ARG 108 2HG ARG 108 3.867 -16.965 -21.297 841 HG3 ARG 108 3HG ARG 108 5.188 -17.023 -20.128 842 HD2 ARG 108 2HD ARG 108 3.843 -17.706 -18.470 843 HD3 ARG 108 3HD ARG 108 2.565 -16.577 -18.921 844 HE ARG 108 HE ARG 108 1.520 -18.300 -19.977 845 HH11 ARG 108 1HH1 ARG 108 4.910 -19.054 -19.738 846 HH12 ARG 108 2HH1 ARG 108 4.740 -20.636 -20.424 847 HH21 ARG 108 1HH2 ARG 108 1.283 -20.381 -20.881 848 HH22 ARG 108 2HH2 ARG 108 2.677 -21.389 -21.075 849 H GLN 109 H GLN 109 6.812 -14.598 -19.779 850 HA GLN 109 HA GLN 109 7.922 -16.794 -18.346 851 HB2 GLN 109 2HB GLN 109 8.805 -16.307 -20.512 852 HB3 GLN 109 3HB GLN 109 9.158 -14.644 -20.064 853 HG2 GLN 109 2HG GLN 109 10.848 -15.450 -18.474 854 HG3 GLN 109 3HG GLN 109 10.517 -17.104 -18.988 855 HE21 GLN 109 1HE2 GLN 109 11.138 -17.762 -21.060 856 HE22 GLN 109 2HE2 GLN 109 12.318 -16.892 -21.973 857 H SER 110 H SER 110 7.925 -13.315 -17.911 858 HA SER 110 HA SER 110 9.921 -13.324 -15.852 859 HB2 SER 110 2HB SER 110 8.199 -11.315 -17.170 860 HB3 SER 110 3HB SER 110 8.645 -10.954 -15.503 861 HG SER 110 HG SER 110 10.495 -10.360 -16.274 862 H GLY 111 H GLY 111 6.485 -13.743 -15.991 863 HA2 GLY 111 2HA GLY 111 5.750 -13.021 -13.392 864 HA3 GLY 111 3HA GLY 111 4.931 -14.228 -14.374 Start of MODEL 17 1 H1 MET 1 H MET 1 1.666 -3.100 -10.318 2 HA MET 1 HA MET 1 0.417 -1.101 -8.850 3 HB2 MET 1 2HB MET 1 -1.472 -2.567 -10.699 4 HB3 MET 1 3HB MET 1 -1.974 -1.562 -9.347 5 HG2 MET 1 2HG MET 1 -0.444 0.204 -10.627 6 HG3 MET 1 3HG MET 1 -0.921 -0.795 -11.997 7 HE1 MET 1 3HE MET 1 -2.417 1.078 -8.820 8 HE2 MET 1 1HE MET 1 -1.703 2.193 -9.985 9 HE3 MET 1 2HE MET 1 -3.444 2.204 -9.709 10 H SER 2 H SER 2 1.497 -2.462 -7.327 11 HA SER 2 HA SER 2 0.017 -4.931 -6.691 12 HB2 SER 2 2HB SER 2 2.632 -4.719 -5.427 13 HB3 SER 2 3HB SER 2 1.960 -6.025 -6.403 14 HG SER 2 HG SER 2 2.719 -5.079 -8.216 15 H LYS 3 H LYS 3 0.285 -5.511 -4.279 16 HA LYS 3 HA LYS 3 0.416 -3.227 -2.500 17 HB2 LYS 3 2HB LYS 3 -2.136 -4.789 -2.919 18 HB3 LYS 3 3HB LYS 3 -1.849 -3.740 -1.536 19 HG2 LYS 3 2HG LYS 3 -1.638 -1.821 -3.002 20 HG3 LYS 3 3HG LYS 3 -1.845 -2.857 -4.416 21 HD2 LYS 3 2HD LYS 3 -4.093 -3.345 -3.839 22 HD3 LYS 3 3HD LYS 3 -3.904 -2.645 -2.229 23 HE2 LYS 3 2HE LYS 3 -3.827 -0.451 -3.083 24 HE3 LYS 3 3HE LYS 3 -3.565 -1.016 -4.732 25 HZ1 LYS 3 3HZ LYS 3 -5.940 -0.266 -3.766 26 HZ2 LYS 3 1HZ LYS 3 -6.015 -1.934 -3.490 27 HZ3 LYS 3 2HZ LYS 3 -5.747 -1.347 -5.053 28 H ASN 4 H ASN 4 1.830 -5.771 -2.906 29 HA ASN 4 HA ASN 4 2.793 -7.399 -1.643 30 HB2 ASN 4 2HB ASN 4 2.520 -5.323 0.057 31 HB3 ASN 4 3HB ASN 4 1.525 -6.516 0.887 32 HD21 ASN 4 1HD2 ASN 4 4.409 -5.240 1.023 33 HD22 ASN 4 2HD2 ASN 4 5.371 -6.597 1.493 34 H GLU 5 H GLU 5 0.030 -7.656 -2.710 35 HA GLU 5 HA GLU 5 -1.394 -9.297 -0.822 36 HB2 GLU 5 2HB GLU 5 -1.909 -9.026 -3.785 37 HB3 GLU 5 3HB GLU 5 -3.037 -9.574 -2.553 38 HG2 GLU 5 2HG GLU 5 -2.716 -7.239 -1.524 39 HG3 GLU 5 3HG GLU 5 -2.044 -6.806 -3.096 40 H ARG 6 H ARG 6 0.904 -9.780 -3.376 41 HA ARG 6 HA ARG 6 1.284 -12.515 -2.631 42 HB2 ARG 6 2HB ARG 6 -0.484 -11.890 -4.852 43 HB3 ARG 6 3HB ARG 6 0.883 -12.871 -5.364 44 HG2 ARG 6 2HG ARG 6 0.334 -14.581 -3.785 45 HG3 ARG 6 3HG ARG 6 -0.915 -13.569 -3.056 46 HD2 ARG 6 2HD ARG 6 -1.314 -13.854 -5.904 47 HD3 ARG 6 3HD ARG 6 -1.239 -15.424 -5.107 48 HE ARG 6 HE ARG 6 -3.325 -13.467 -4.883 49 HH11 ARG 6 1HH1 ARG 6 -1.733 -16.128 -3.301 50 HH12 ARG 6 2HH1 ARG 6 -3.103 -16.537 -2.323 51 HH21 ARG 6 1HH2 ARG 6 -5.136 -13.995 -3.600 52 HH22 ARG 6 2HH2 ARG 6 -5.039 -15.323 -2.494 53 H ASP 7 H ASP 7 3.003 -13.553 -3.978 54 HA ASP 7 HA ASP 7 4.688 -11.678 -5.448 55 HB2 ASP 7 2HB ASP 7 6.696 -12.428 -4.130 56 HB3 ASP 7 3HB ASP 7 5.563 -11.421 -3.233 57 H THR 8 H THR 8 4.447 -14.994 -4.183 58 HA THR 8 HA THR 8 6.086 -16.132 -6.209 59 HB THR 8 HB THR 8 5.477 -18.266 -5.342 60 HG1 THR 8 HG1 THR 8 3.202 -16.888 -4.394 61 HG21 THR 8 3HG2 THR 8 6.057 -18.058 -3.065 62 HG22 THR 8 1HG2 THR 8 5.315 -16.464 -2.936 63 HG23 THR 8 2HG2 THR 8 6.805 -16.672 -3.858 64 H SER 9 H SER 9 2.612 -15.684 -5.826 65 HA SER 9 HA SER 9 2.064 -17.097 -8.311 66 HB2 SER 9 2HB SER 9 -0.043 -15.597 -6.808 67 HB3 SER 9 3HB SER 9 -0.161 -17.126 -7.679 68 HG SER 9 HG SER 9 1.456 -17.733 -5.839 69 H PHE 10 H PHE 10 1.886 -13.820 -6.992 70 HA PHE 10 HA PHE 10 1.181 -12.784 -9.639 71 HB2 PHE 10 2HB PHE 10 -0.014 -12.083 -7.465 72 HB3 PHE 10 3HB PHE 10 1.435 -11.142 -7.129 73 HD1 PHE 10 HD2 PHE 10 -1.117 -11.677 -9.786 74 HD2 PHE 10 HD1 PHE 10 1.585 -8.978 -7.907 75 HE1 PHE 10 HE2 PHE 10 -1.994 -9.841 -11.169 76 HE2 PHE 10 HE1 PHE 10 0.711 -7.137 -9.287 77 HZ PHE 10 HZ PHE 10 -1.080 -7.568 -10.922 78 H ASN 11 H ASN 11 2.713 -12.049 -10.940 79 HA ASN 11 HA ASN 11 5.321 -11.336 -9.792 80 HB2 ASN 11 2HB ASN 11 4.459 -12.367 -12.475 81 HB3 ASN 11 3HB ASN 11 5.981 -11.495 -12.316 82 HD21 ASN 11 1HD2 ASN 11 7.421 -13.083 -12.591 83 HD22 ASN 11 2HD2 ASN 11 7.534 -14.494 -11.600 84 H LYS 12 H LYS 12 5.579 -9.233 -9.460 85 HA LYS 12 HA LYS 12 4.034 -7.170 -10.462 86 HB2 LYS 12 2HB LYS 12 5.664 -7.062 -8.541 87 HB3 LYS 12 3HB LYS 12 6.954 -6.925 -9.728 88 HG2 LYS 12 2HG LYS 12 5.702 -4.898 -10.619 89 HG3 LYS 12 3HG LYS 12 4.751 -4.977 -9.134 90 HD2 LYS 12 2HD LYS 12 6.372 -3.628 -8.333 91 HD3 LYS 12 3HD LYS 12 7.253 -5.144 -8.125 92 HE2 LYS 12 2HE LYS 12 7.824 -4.547 -10.712 93 HE3 LYS 12 3HE LYS 12 7.696 -2.934 -10.012 94 HZ1 LYS 12 3HZ LYS 12 9.204 -4.017 -8.183 95 HZ2 LYS 12 1HZ LYS 12 9.874 -3.391 -9.605 96 HZ3 LYS 12 2HZ LYS 12 9.632 -5.057 -9.447 97 H ASN 13 H ASN 13 6.821 -8.744 -11.871 98 HA ASN 13 HA ASN 13 7.540 -6.889 -13.811 99 HB2 ASN 13 2HB ASN 13 9.006 -8.687 -13.623 100 HB3 ASN 13 3HB ASN 13 7.710 -9.878 -13.649 101 HD21 ASN 13 1HD2 ASN 13 9.041 -7.321 -15.720 102 HD22 ASN 13 2HD2 ASN 13 8.967 -8.235 -17.185 103 H GLY 14 H GLY 14 4.851 -9.124 -13.709 104 HA2 GLY 14 2HA GLY 14 4.138 -9.046 -16.437 105 HA3 GLY 14 3HA GLY 14 3.057 -9.435 -15.107 106 H CYS 15 H CYS 15 2.961 -7.117 -13.687 107 HA CYS 15 HA CYS 15 1.174 -5.555 -15.227 108 HB2 CYS 15 2HB CYS 15 1.241 -5.896 -12.672 109 HB3 CYS 15 3HB CYS 15 2.453 -4.621 -12.668 110 HG CYS 15 HG CYS 15 0.737 -2.733 -12.501 111 H LEU 16 H LEU 16 4.498 -5.017 -14.127 112 HA LEU 16 HA LEU 16 4.802 -2.392 -15.026 113 HB2 LEU 16 2HB LEU 16 6.371 -3.676 -13.557 114 HB3 LEU 16 3HB LEU 16 6.939 -4.516 -14.999 115 HG LEU 16 HG LEU 16 7.742 -2.384 -15.913 116 HD11 LEU 16 1HD1 LEU 16 6.208 -0.840 -14.908 117 HD12 LEU 16 2HD1 LEU 16 7.842 -0.418 -14.398 118 HD13 LEU 16 3HD1 LEU 16 6.766 -1.267 -13.290 119 HD21 LEU 16 3HD2 LEU 16 9.687 -2.774 -14.913 120 HD22 LEU 16 1HD2 LEU 16 8.838 -3.871 -13.824 121 HD23 LEU 16 2HD2 LEU 16 9.078 -2.185 -13.366 122 H VAL 17 H VAL 17 5.414 -5.463 -16.696 123 HA VAL 17 HA VAL 17 6.351 -4.286 -19.102 124 HB VAL 17 HB VAL 17 5.173 -7.023 -18.603 125 HG11 VAL 17 1HG1 VAL 17 5.828 -5.689 -21.062 126 HG12 VAL 17 2HG1 VAL 17 6.881 -7.085 -20.823 127 HG13 VAL 17 3HG1 VAL 17 5.129 -7.288 -20.808 128 HG21 VAL 17 3HG2 VAL 17 7.279 -7.777 -18.144 129 HG22 VAL 17 1HG2 VAL 17 8.056 -6.543 -19.136 130 HG23 VAL 17 2HG2 VAL 17 7.429 -6.127 -17.541 131 H PHE 18 H PHE 18 3.174 -5.276 -17.954 132 HA PHE 18 HA PHE 18 1.765 -5.128 -20.360 133 HB2 PHE 18 2HB PHE 18 0.651 -6.108 -18.519 134 HB3 PHE 18 3HB PHE 18 0.935 -4.704 -17.496 135 HD1 PHE 18 HD1 PHE 18 -0.430 -2.711 -17.709 136 HD2 PHE 18 HD2 PHE 18 -1.145 -6.144 -20.121 137 HE1 PHE 18 HE1 PHE 18 -2.640 -1.817 -18.319 138 HE2 PHE 18 HE2 PHE 18 -3.356 -5.256 -20.735 139 HZ PHE 18 HZ PHE 18 -4.105 -3.090 -19.835 140 H VAL 19 H VAL 19 1.949 -2.640 -17.807 141 HA VAL 19 HA VAL 19 0.730 -0.615 -19.347 142 HB VAL 19 HB VAL 19 0.811 -0.469 -16.921 143 HG11 VAL 19 1HG1 VAL 19 3.170 -1.480 -16.843 144 HG12 VAL 19 2HG1 VAL 19 3.736 0.177 -17.062 145 HG13 VAL 19 3HG1 VAL 19 2.758 -0.244 -15.655 146 HG21 VAL 19 3HG2 VAL 19 2.465 1.871 -17.512 147 HG22 VAL 19 1HG2 VAL 19 1.162 1.600 -18.669 148 HG23 VAL 19 2HG2 VAL 19 0.795 1.773 -16.952 149 H SER 20 H SER 20 4.098 -1.530 -18.847 150 HA SER 20 HA SER 20 5.349 0.675 -20.000 151 HB2 SER 20 2HB SER 20 6.124 -2.220 -19.747 152 HB3 SER 20 3HB SER 20 7.165 -1.083 -20.604 153 HG SER 20 HG SER 20 7.789 -0.328 -18.753 154 H ARG 21 H ARG 21 4.294 -2.356 -21.534 155 HA ARG 21 HA ARG 21 5.081 -1.583 -24.152 156 HB2 ARG 21 2HB ARG 21 3.707 -3.843 -22.899 157 HB3 ARG 21 3HB ARG 21 3.104 -3.471 -24.509 158 HG2 ARG 21 2HG ARG 21 4.862 -5.139 -24.600 159 HG3 ARG 21 3HG ARG 21 5.367 -3.651 -25.404 160 HD2 ARG 21 2HD ARG 21 6.680 -3.007 -23.490 161 HD3 ARG 21 3HD ARG 21 6.079 -4.386 -22.569 162 HE ARG 21 HE ARG 21 7.581 -5.737 -23.661 163 HH11 ARG 21 1HH1 ARG 21 7.390 -2.660 -25.279 164 HH12 ARG 21 2HH1 ARG 21 8.746 -2.971 -26.310 165 HH21 ARG 21 1HH2 ARG 21 9.369 -6.158 -25.013 166 HH22 ARG 21 2HH2 ARG 21 9.871 -4.962 -26.159 167 H LEU 22 H LEU 22 2.086 -1.333 -22.324 168 HA LEU 22 HA LEU 22 0.343 -0.635 -24.385 169 HB2 LEU 22 2HB LEU 22 0.398 -0.437 -21.477 170 HB3 LEU 22 3HB LEU 22 -0.524 0.857 -22.240 171 HG LEU 22 HG LEU 22 -1.868 -0.886 -23.413 172 HD11 LEU 22 1HD1 LEU 22 -0.006 -2.632 -23.062 173 HD12 LEU 22 2HD1 LEU 22 -1.687 -3.148 -22.928 174 HD13 LEU 22 3HD1 LEU 22 -0.733 -2.862 -21.472 175 HD21 LEU 22 3HD2 LEU 22 -1.819 -0.854 -20.402 176 HD22 LEU 22 1HD2 LEU 22 -3.106 -1.596 -21.353 177 HD23 LEU 22 2HD2 LEU 22 -2.805 0.137 -21.478 178 H TRP 23 H TRP 23 2.473 1.393 -22.414 179 HA TRP 23 HA TRP 23 1.627 3.870 -23.474 180 HB2 TRP 23 2HB TRP 23 4.023 2.928 -21.952 181 HB3 TRP 23 3HB TRP 23 4.059 4.527 -22.691 182 HD1 TRP 23 HD1 TRP 23 0.717 3.371 -21.347 183 HE1 TRP 23 HE1 TRP 23 0.149 4.707 -19.222 184 HE3 TRP 23 HE3 TRP 23 5.210 5.703 -20.630 185 HZ2 TRP 23 HZ2 TRP 23 1.435 6.512 -17.474 186 HZ3 TRP 23 HZ3 TRP 23 5.458 7.218 -18.707 187 HH2 TRP 23 HH2 TRP 23 3.608 7.614 -17.164 188 H ASP 24 H ASP 24 4.081 1.554 -24.470 189 HA ASP 24 HA ASP 24 5.358 3.177 -26.394 190 HB2 ASP 24 2HB ASP 24 5.259 0.271 -25.777 191 HB3 ASP 24 3HB ASP 24 5.805 0.728 -27.388 192 H LEU 25 H LEU 25 2.981 0.555 -26.863 193 HA LEU 25 HA LEU 25 2.577 0.969 -29.593 194 HB2 LEU 25 2HB LEU 25 1.777 -1.043 -28.744 195 HB3 LEU 25 3HB LEU 25 0.922 -0.254 -27.420 196 HG LEU 25 HG LEU 25 -0.707 0.629 -29.086 197 HD11 LEU 25 1HD1 LEU 25 0.947 -1.061 -30.937 198 HD12 LEU 25 2HD1 LEU 25 0.479 0.630 -31.113 199 HD13 LEU 25 3HD1 LEU 25 -0.731 -0.642 -31.287 200 HD21 LEU 25 3HD2 LEU 25 -0.541 -1.876 -27.920 201 HD22 LEU 25 1HD2 LEU 25 -0.950 -2.214 -29.602 202 HD23 LEU 25 2HD2 LEU 25 -1.976 -1.147 -28.643 203 H ASP 26 H ASP 26 1.041 2.449 -26.791 204 HA ASP 26 HA ASP 26 -0.937 3.857 -28.302 205 HB2 ASP 26 2HB ASP 26 0.076 4.212 -25.476 206 HB3 ASP 26 3HB ASP 26 -1.261 5.133 -26.161 207 H LYS 27 H LYS 27 0.291 4.888 -29.937 208 HA LYS 27 HA LYS 27 2.414 6.679 -29.400 209 HB2 LYS 27 2HB LYS 27 0.986 5.725 -31.695 210 HB3 LYS 27 3HB LYS 27 1.108 7.477 -31.786 211 HG2 LYS 27 2HG LYS 27 3.599 6.145 -31.027 212 HG3 LYS 27 3HG LYS 27 3.006 5.724 -32.636 213 HD2 LYS 27 2HD LYS 27 3.425 7.777 -33.461 214 HD3 LYS 27 3HD LYS 27 2.887 8.587 -31.988 215 HE2 LYS 27 2HE LYS 27 5.040 7.847 -30.923 216 HE3 LYS 27 3HE LYS 27 5.565 7.312 -32.519 217 HZ1 LYS 27 3HZ LYS 27 5.008 9.697 -33.220 218 HZ2 LYS 27 1HZ LYS 27 6.430 9.437 -32.340 219 HZ3 LYS 27 2HZ LYS 27 5.059 10.058 -31.568 220 H LEU 28 H LEU 28 -1.063 7.043 -29.515 221 HA LEU 28 HA LEU 28 -1.294 9.801 -29.740 222 HB2 LEU 28 2HB LEU 28 -3.234 8.422 -29.859 223 HB3 LEU 28 3HB LEU 28 -2.963 7.803 -28.231 224 HG LEU 28 HG LEU 28 -3.296 10.323 -27.563 225 HD11 LEU 28 1HD1 LEU 28 -4.319 11.700 -29.019 226 HD12 LEU 28 2HD1 LEU 28 -5.249 10.399 -29.762 227 HD13 LEU 28 3HD1 LEU 28 -3.567 10.654 -30.224 228 HD21 LEU 28 3HD2 LEU 28 -4.712 8.595 -26.734 229 HD22 LEU 28 1HD2 LEU 28 -5.481 8.389 -28.308 230 HD23 LEU 28 2HD2 LEU 28 -5.752 9.865 -27.381 231 H GLY 29 H GLY 29 -0.364 7.836 -27.006 232 HA2 GLY 29 2HA GLY 29 1.028 8.789 -25.290 233 HA3 GLY 29 3HA GLY 29 0.180 10.313 -25.508 234 H MET 30 H MET 30 -1.991 10.500 -24.709 235 HA MET 30 HA MET 30 -2.352 9.007 -22.253 236 HB2 MET 30 2HB MET 30 -3.920 11.297 -23.452 237 HB3 MET 30 3HB MET 30 -4.236 10.590 -21.873 238 HG2 MET 30 2HG MET 30 -1.520 11.211 -21.862 239 HG3 MET 30 3HG MET 30 -2.309 12.580 -22.642 240 HE1 MET 30 3HE MET 30 -2.861 14.548 -21.283 241 HE2 MET 30 1HE MET 30 -2.653 14.558 -19.532 242 HE3 MET 30 2HE MET 30 -1.323 14.052 -20.573 243 H PHE 31 H PHE 31 -2.636 7.113 -23.969 244 HA PHE 31 HA PHE 31 -5.470 6.873 -24.689 245 HB2 PHE 31 2HB PHE 31 -3.658 6.453 -26.412 246 HB3 PHE 31 3HB PHE 31 -3.226 5.017 -25.489 247 HD1 PHE 31 HD2 PHE 31 -4.953 3.211 -25.187 248 HD2 PHE 31 HD1 PHE 31 -5.435 6.426 -27.934 249 HE1 PHE 31 HE2 PHE 31 -6.668 1.922 -26.390 250 HE2 PHE 31 HE1 PHE 31 -7.152 5.142 -29.141 251 HZ PHE 31 HZ PHE 31 -7.770 2.886 -28.370 252 H HIS 32 H HIS 32 -6.757 5.807 -23.353 253 HA HIS 32 HA HIS 32 -6.143 3.261 -22.290 254 HB2 HIS 32 2HB HIS 32 -6.304 4.004 -19.842 255 HB3 HIS 32 3HB HIS 32 -4.772 4.281 -20.667 256 HD1 HIS 32 HD1 HIS 32 -4.170 6.753 -21.244 257 HD2 HIS 32 HD2 HIS 32 -7.655 6.291 -19.029 258 HE1 HIS 32 HE1 HIS 32 -4.725 9.047 -20.377 259 H HIS 33 H HIS 33 -8.226 3.852 -23.756 260 HA HIS 33 HA HIS 33 -10.459 3.505 -21.944 261 HB2 HIS 33 2HB HIS 33 -9.937 6.040 -23.200 262 HB3 HIS 33 3HB HIS 33 -11.439 5.367 -23.826 263 HD1 HIS 33 HD1 HIS 33 -10.311 4.856 -20.274 264 HD2 HIS 33 HD2 HIS 33 -13.104 7.065 -22.413 265 HE1 HIS 33 HE1 HIS 33 -11.826 5.876 -18.546 266 HA PRO 34 HA PRO 34 -11.880 0.819 -25.111 267 HB2 PRO 34 2HB PRO 34 -14.568 0.952 -24.752 268 HB3 PRO 34 3HB PRO 34 -13.489 0.116 -23.629 269 HG2 PRO 34 2HG PRO 34 -14.684 2.854 -23.424 270 HG3 PRO 34 3HG PRO 34 -14.512 1.611 -22.171 271 HD2 PRO 34 2HD PRO 34 -12.825 3.719 -22.373 272 HD3 PRO 34 3HD PRO 34 -12.300 2.130 -21.782 273 H VAL 35 H VAL 35 -12.664 0.792 -27.201 274 HA VAL 35 HA VAL 35 -12.863 3.301 -28.535 275 HB VAL 35 HB VAL 35 -13.352 1.941 -30.559 276 HG11 VAL 35 1HG1 VAL 35 -11.066 0.559 -29.275 277 HG12 VAL 35 2HG1 VAL 35 -11.168 1.372 -30.838 278 HG13 VAL 35 3HG1 VAL 35 -11.009 2.319 -29.358 279 HG21 VAL 35 3HG2 VAL 35 -14.041 -0.014 -28.593 280 HG22 VAL 35 1HG2 VAL 35 -14.243 -0.081 -30.344 281 HG23 VAL 35 2HG2 VAL 35 -12.743 -0.644 -29.607 282 H SER 36 H SER 36 -14.617 4.269 -29.524 283 HA SER 36 HA SER 36 -17.163 3.776 -28.283 284 HB2 SER 36 2HB SER 36 -16.396 6.071 -28.737 285 HB3 SER 36 3HB SER 36 -16.407 5.733 -30.468 286 HG SER 36 HG SER 36 -18.738 5.306 -28.968 287 H ALA 37 H ALA 37 -19.010 2.977 -29.197 288 HA ALA 37 HA ALA 37 -18.821 1.032 -31.179 289 HB1 ALA 37 1HB ALA 37 -21.021 0.635 -30.796 290 HB2 ALA 37 2HB ALA 37 -20.694 1.639 -29.383 291 HB3 ALA 37 3HB ALA 37 -21.447 2.347 -30.811 292 H GLU 38 H GLU 38 -19.498 4.456 -31.418 293 HA GLU 38 HA GLU 38 -20.649 4.648 -33.914 294 HB2 GLU 38 2HB GLU 38 -19.708 6.894 -34.045 295 HB3 GLU 38 3HB GLU 38 -20.302 6.567 -32.423 296 HG2 GLU 38 2HG GLU 38 -17.837 5.881 -31.953 297 HG3 GLU 38 3HG GLU 38 -17.497 6.844 -33.390 298 H GLU 39 H GLU 39 -17.257 4.182 -33.083 299 HA GLU 39 HA GLU 39 -16.489 4.217 -35.895 300 HB2 GLU 39 2HB GLU 39 -14.920 4.009 -33.329 301 HB3 GLU 39 3HB GLU 39 -14.176 3.785 -34.906 302 HG2 GLU 39 2HG GLU 39 -15.773 6.244 -34.453 303 HG3 GLU 39 3HG GLU 39 -14.191 6.121 -33.686 304 H LEU 40 H LEU 40 -16.884 1.977 -33.227 305 HA LEU 40 HA LEU 40 -16.401 -0.242 -35.102 306 HB2 LEU 40 2HB LEU 40 -15.656 -0.070 -32.188 307 HB3 LEU 40 3HB LEU 40 -15.609 -1.556 -33.133 308 HG LEU 40 HG LEU 40 -14.007 -0.160 -34.673 309 HD11 LEU 40 1HD1 LEU 40 -13.467 1.856 -33.932 310 HD12 LEU 40 2HD1 LEU 40 -12.750 1.117 -32.501 311 HD13 LEU 40 3HD1 LEU 40 -14.440 1.620 -32.481 312 HD21 LEU 40 3HD2 LEU 40 -13.670 -2.134 -32.847 313 HD22 LEU 40 1HD2 LEU 40 -12.622 -0.879 -32.184 314 HD23 LEU 40 2HD2 LEU 40 -12.373 -1.455 -33.832 315 HA PRO 41 HA PRO 41 -20.707 -0.513 -33.422 316 HB2 PRO 41 2HB PRO 41 -21.830 -1.186 -35.800 317 HB3 PRO 41 3HB PRO 41 -21.559 0.489 -35.305 318 HG2 PRO 41 2HG PRO 41 -19.923 -1.237 -37.123 319 HG3 PRO 41 3HG PRO 41 -20.386 0.464 -37.313 320 HD2 PRO 41 2HD PRO 41 -17.938 -0.292 -36.435 321 HD3 PRO 41 3HD PRO 41 -18.727 1.203 -35.893 322 H ASP 42 H ASP 42 -18.538 -2.598 -35.094 323 HA ASP 42 HA ASP 42 -20.126 -4.941 -34.271 324 HB2 ASP 42 2HB ASP 42 -19.120 -6.193 -36.075 325 HB3 ASP 42 3HB ASP 42 -19.804 -4.709 -36.734 326 H TYR 43 H TYR 43 -18.063 -3.292 -32.814 327 HA TYR 43 HA TYR 43 -15.622 -4.547 -32.566 328 HB2 TYR 43 2HB TYR 43 -15.422 -3.515 -30.424 329 HB3 TYR 43 3HB TYR 43 -16.375 -2.424 -31.423 330 HD1 TYR 43 HD1 TYR 43 -18.967 -2.659 -31.208 331 HD2 TYR 43 HD2 TYR 43 -16.198 -4.101 -28.318 332 HE1 TYR 43 HE1 TYR 43 -20.745 -2.650 -29.509 333 HE2 TYR 43 HE2 TYR 43 -17.969 -4.097 -26.611 334 HH TYR 43 HH TYR 43 -21.009 -2.593 -27.121 335 H HIS 44 H HIS 44 -18.733 -5.503 -31.265 336 HA HIS 44 HA HIS 44 -17.803 -7.468 -29.461 337 HB2 HIS 44 2HB HIS 44 -20.222 -6.372 -29.945 338 HB3 HIS 44 3HB HIS 44 -20.421 -7.912 -30.775 339 HD1 HIS 44 HD1 HIS 44 -20.255 -10.078 -29.289 340 HD2 HIS 44 HD2 HIS 44 -20.285 -6.494 -27.187 341 HE1 HIS 44 HE1 HIS 44 -20.738 -10.702 -26.901 342 H THR 45 H THR 45 -18.687 -7.572 -32.874 343 HA THR 45 HA THR 45 -18.220 -10.433 -33.026 344 HB THR 45 HB THR 45 -18.527 -8.848 -35.516 345 HG1 THR 45 HG1 THR 45 -20.619 -8.325 -35.128 346 HG21 THR 45 3HG2 THR 45 -20.431 -10.887 -35.327 347 HG22 THR 45 1HG2 THR 45 -18.982 -11.533 -34.558 348 HG23 THR 45 2HG2 THR 45 -18.908 -10.932 -36.215 349 H VAL 46 H VAL 46 -16.356 -7.642 -33.179 350 HA VAL 46 HA VAL 46 -14.390 -8.750 -35.029 351 HB VAL 46 HB VAL 46 -14.418 -6.112 -33.554 352 HG11 VAL 46 1HG1 VAL 46 -12.687 -5.853 -35.660 353 HG12 VAL 46 2HG1 VAL 46 -12.221 -6.125 -33.980 354 HG13 VAL 46 3HG1 VAL 46 -12.352 -7.488 -35.093 355 HG21 VAL 46 3HG2 VAL 46 -15.529 -5.217 -35.280 356 HG22 VAL 46 1HG2 VAL 46 -14.573 -6.102 -36.468 357 HG23 VAL 46 2HG2 VAL 46 -15.956 -6.877 -35.695 358 H ILE 47 H ILE 47 -14.474 -7.526 -31.681 359 HA ILE 47 HA ILE 47 -12.182 -9.283 -31.089 360 HB ILE 47 HB ILE 47 -11.655 -7.663 -29.231 361 HG12 ILE 47 2HG1 ILE 47 -13.576 -5.913 -30.782 362 HG13 ILE 47 3HG1 ILE 47 -13.824 -6.524 -29.150 363 HG21 ILE 47 1HG2 ILE 47 -10.474 -6.108 -30.688 364 HG22 ILE 47 2HG2 ILE 47 -10.372 -7.754 -31.311 365 HG23 ILE 47 3HG2 ILE 47 -11.483 -6.600 -32.048 366 HD11 ILE 47 3HD1 ILE 47 -12.437 -4.174 -30.032 367 HD12 ILE 47 1HD1 ILE 47 -12.901 -4.661 -28.402 368 HD13 ILE 47 2HD1 ILE 47 -11.367 -5.206 -29.082 369 H LYS 48 H LYS 48 -15.315 -8.120 -30.111 370 HA LYS 48 HA LYS 48 -16.871 -9.057 -28.723 371 HB2 LYS 48 2HB LYS 48 -15.339 -11.208 -29.350 372 HB3 LYS 48 3HB LYS 48 -15.094 -11.138 -27.610 373 HG2 LYS 48 2HG LYS 48 -17.181 -11.821 -27.159 374 HG3 LYS 48 3HG LYS 48 -17.886 -10.874 -28.472 375 HD2 LYS 48 2HD LYS 48 -16.227 -13.080 -29.412 376 HD3 LYS 48 3HD LYS 48 -17.595 -13.611 -28.430 377 HE2 LYS 48 2HE LYS 48 -18.955 -11.972 -29.923 378 HE3 LYS 48 3HE LYS 48 -17.584 -12.117 -31.022 379 HZ1 LYS 48 3HZ LYS 48 -19.209 -13.732 -31.622 380 HZ2 LYS 48 1HZ LYS 48 -19.319 -14.313 -30.037 381 HZ3 LYS 48 2HZ LYS 48 -17.905 -14.558 -30.931 382 H ARG 49 H ARG 49 -13.657 -9.447 -27.218 383 HA ARG 49 HA ARG 49 -14.716 -8.132 -24.811 384 HB2 ARG 49 2HB ARG 49 -13.000 -10.398 -25.224 385 HB3 ARG 49 3HB ARG 49 -12.136 -9.171 -24.307 386 HG2 ARG 49 2HG ARG 49 -13.442 -9.417 -22.484 387 HG3 ARG 49 3HG ARG 49 -14.892 -9.749 -23.432 388 HD2 ARG 49 2HD ARG 49 -13.759 -11.984 -24.001 389 HD3 ARG 49 3HD ARG 49 -12.684 -11.622 -22.651 390 HE ARG 49 HE ARG 49 -14.381 -12.143 -21.211 391 HH11 ARG 49 1HH1 ARG 49 -15.707 -11.626 -24.388 392 HH12 ARG 49 2HH1 ARG 49 -17.298 -12.157 -23.953 393 HH21 ARG 49 1HH2 ARG 49 -16.472 -12.845 -20.625 394 HH22 ARG 49 2HH2 ARG 49 -17.732 -12.849 -21.812 395 HA PRO 50 HA PRO 50 -12.192 -4.759 -26.534 396 HB2 PRO 50 2HB PRO 50 -13.526 -2.807 -25.200 397 HB3 PRO 50 3HB PRO 50 -14.108 -3.504 -26.716 398 HG2 PRO 50 2HG PRO 50 -14.937 -4.121 -23.907 399 HG3 PRO 50 3HG PRO 50 -15.945 -3.914 -25.350 400 HD2 PRO 50 2HD PRO 50 -15.288 -6.351 -24.371 401 HD3 PRO 50 3HD PRO 50 -15.526 -6.051 -26.104 402 H VAL 51 H VAL 51 -11.512 -2.639 -25.076 403 HA VAL 51 HA VAL 51 -10.493 -3.638 -22.507 404 HB VAL 51 HB VAL 51 -8.686 -3.884 -24.142 405 HG11 VAL 51 1HG1 VAL 51 -7.956 -2.250 -25.559 406 HG12 VAL 51 2HG1 VAL 51 -9.660 -1.803 -25.454 407 HG13 VAL 51 3HG1 VAL 51 -8.460 -0.942 -24.489 408 HG21 VAL 51 3HG2 VAL 51 -7.767 -1.532 -22.605 409 HG22 VAL 51 1HG2 VAL 51 -8.482 -2.851 -21.678 410 HG23 VAL 51 2HG2 VAL 51 -7.086 -3.155 -22.712 411 H ASP 52 H ASP 52 -10.748 -2.246 -20.881 412 HA ASP 52 HA ASP 52 -10.924 0.619 -21.436 413 HB2 ASP 52 2HB ASP 52 -12.913 0.632 -19.755 414 HB3 ASP 52 3HB ASP 52 -13.215 0.212 -21.439 415 H LEU 53 H LEU 53 -10.602 1.955 -19.566 416 HA LEU 53 HA LEU 53 -8.576 1.036 -17.857 417 HB2 LEU 53 2HB LEU 53 -8.962 3.400 -18.491 418 HB3 LEU 53 3HB LEU 53 -10.387 3.412 -17.455 419 HG LEU 53 HG LEU 53 -8.546 2.656 -15.657 420 HD11 LEU 53 1HD1 LEU 53 -7.067 4.329 -17.679 421 HD12 LEU 53 2HD1 LEU 53 -6.672 2.692 -17.155 422 HD13 LEU 53 3HD1 LEU 53 -6.521 4.039 -16.027 423 HD21 LEU 53 3HD2 LEU 53 -9.856 4.447 -15.066 424 HD22 LEU 53 1HD2 LEU 53 -9.518 5.327 -16.557 425 HD23 LEU 53 2HD2 LEU 53 -8.295 5.239 -15.289 426 H SER 54 H SER 54 -12.056 1.263 -17.452 427 HA SER 54 HA SER 54 -12.112 0.782 -14.661 428 HB2 SER 54 2HB SER 54 -14.372 -0.102 -16.405 429 HB3 SER 54 3HB SER 54 -14.412 0.752 -14.862 430 HG SER 54 HG SER 54 -14.500 1.763 -17.336 431 H SER 55 H SER 55 -12.182 -1.326 -17.483 432 HA SER 55 HA SER 55 -12.823 -3.725 -16.174 433 HB2 SER 55 2HB SER 55 -12.985 -3.992 -18.447 434 HB3 SER 55 3HB SER 55 -11.570 -2.992 -18.774 435 HG SER 55 HG SER 55 -11.752 -5.707 -18.283 436 H ILE 56 H ILE 56 -9.653 -2.364 -17.047 437 HA ILE 56 HA ILE 56 -8.138 -4.433 -15.851 438 HB ILE 56 HB ILE 56 -7.141 -2.998 -17.531 439 HG12 ILE 56 2HG1 ILE 56 -5.835 -2.647 -14.824 440 HG13 ILE 56 3HG1 ILE 56 -5.645 -4.034 -15.891 441 HG21 ILE 56 1HG2 ILE 56 -6.645 -0.666 -17.136 442 HG22 ILE 56 2HG2 ILE 56 -8.375 -0.945 -16.943 443 HG23 ILE 56 3HG2 ILE 56 -7.349 -0.761 -15.521 444 HD11 ILE 56 3HD1 ILE 56 -3.819 -2.992 -16.615 445 HD12 ILE 56 1HD1 ILE 56 -4.927 -1.948 -17.505 446 HD13 ILE 56 2HD1 ILE 56 -4.318 -1.446 -15.928 447 H ARG 57 H ARG 57 -9.308 -1.317 -14.679 448 HA ARG 57 HA ARG 57 -7.892 -1.322 -12.233 449 HB2 ARG 57 2HB ARG 57 -8.853 0.723 -13.107 450 HB3 ARG 57 3HB ARG 57 -10.472 0.042 -13.017 451 HG2 ARG 57 2HG ARG 57 -10.097 1.586 -11.195 452 HG3 ARG 57 3HG ARG 57 -10.290 -0.055 -10.577 453 HD2 ARG 57 2HD ARG 57 -8.127 -0.198 -9.890 454 HD3 ARG 57 3HD ARG 57 -7.534 0.843 -11.184 455 HE ARG 57 HE ARG 57 -7.700 2.606 -9.753 456 HH11 ARG 57 1HH1 ARG 57 -9.783 0.060 -8.614 457 HH12 ARG 57 2HH1 ARG 57 -10.224 0.893 -7.160 458 HH21 ARG 57 1HH2 ARG 57 -8.273 3.713 -7.843 459 HH22 ARG 57 2HH2 ARG 57 -9.365 2.972 -6.723 460 H ASP 58 H ASP 58 -11.151 -2.413 -13.108 461 HA ASP 58 HA ASP 58 -11.838 -3.229 -10.462 462 HB2 ASP 58 2HB ASP 58 -13.588 -2.665 -12.043 463 HB3 ASP 58 3HB ASP 58 -13.049 -3.932 -13.142 464 H GLY 59 H GLY 59 -10.475 -4.839 -13.283 465 HA2 GLY 59 2HA GLY 59 -10.706 -7.492 -12.357 466 HA3 GLY 59 3HA GLY 59 -9.554 -6.923 -13.556 467 H ILE 60 H ILE 60 -8.013 -5.182 -12.113 468 HA ILE 60 HA ILE 60 -6.281 -6.947 -10.739 469 HB ILE 60 HB ILE 60 -6.313 -3.933 -10.874 470 HG12 ILE 60 2HG1 ILE 60 -5.900 -5.039 -13.015 471 HG13 ILE 60 3HG1 ILE 60 -4.430 -4.265 -12.433 472 HG21 ILE 60 1HG2 ILE 60 -4.898 -3.971 -9.153 473 HG22 ILE 60 2HG2 ILE 60 -4.755 -5.727 -9.211 474 HG23 ILE 60 3HG2 ILE 60 -3.740 -4.725 -10.249 475 HD11 ILE 60 3HD1 ILE 60 -3.898 -6.412 -13.356 476 HD12 ILE 60 1HD1 ILE 60 -3.653 -6.457 -11.610 477 HD13 ILE 60 2HD1 ILE 60 -5.089 -7.196 -12.319 478 H GLU 61 H GLU 61 -8.597 -4.510 -9.646 479 HA GLU 61 HA GLU 61 -7.934 -4.614 -6.906 480 HB2 GLU 61 2HB GLU 61 -10.005 -3.420 -8.560 481 HB3 GLU 61 3HB GLU 61 -10.645 -3.988 -7.025 482 HG2 GLU 61 2HG GLU 61 -8.134 -2.496 -6.819 483 HG3 GLU 61 3HG GLU 61 -9.500 -1.566 -7.432 484 H LYS 62 H LYS 62 -10.068 -6.537 -8.915 485 HA LYS 62 HA LYS 62 -11.261 -7.926 -6.692 486 HB2 LYS 62 2HB LYS 62 -11.332 -8.441 -9.669 487 HB3 LYS 62 3HB LYS 62 -12.233 -9.381 -8.486 488 HG2 LYS 62 2HG LYS 62 -12.553 -6.412 -8.622 489 HG3 LYS 62 3HG LYS 62 -13.415 -7.465 -9.746 490 HD2 LYS 62 2HD LYS 62 -14.970 -7.745 -8.179 491 HD3 LYS 62 3HD LYS 62 -13.770 -8.613 -7.218 492 HE2 LYS 62 2HE LYS 62 -13.043 -6.426 -6.276 493 HE3 LYS 62 3HE LYS 62 -14.377 -5.660 -7.137 494 HZ1 LYS 62 3HZ LYS 62 -14.578 -6.521 -4.647 495 HZ2 LYS 62 1HZ LYS 62 -15.054 -7.933 -5.449 496 HZ3 LYS 62 2HZ LYS 62 -15.894 -6.488 -5.708 497 H GLY 63 H GLY 63 -8.533 -8.370 -8.810 498 HA2 GLY 63 2HA GLY 63 -6.691 -9.749 -8.312 499 HA3 GLY 63 3HA GLY 63 -7.702 -10.660 -7.200 500 H THR 64 H THR 64 -8.835 -9.952 -10.403 501 HA THR 64 HA THR 64 -9.505 -12.542 -11.064 502 HB THR 64 HB THR 64 -8.653 -10.451 -13.073 503 HG1 THR 64 HG1 THR 64 -10.830 -9.763 -12.962 504 HG21 THR 64 3HG2 THR 64 -9.026 -12.691 -13.997 505 HG22 THR 64 1HG2 THR 64 -10.271 -11.563 -14.532 506 HG23 THR 64 2HG2 THR 64 -10.627 -12.730 -13.259 507 H TYR 65 H TYR 65 -6.420 -10.927 -11.375 508 HA TYR 65 HA TYR 65 -5.291 -13.372 -12.569 509 HB2 TYR 65 2HB TYR 65 -3.848 -10.747 -12.607 510 HB3 TYR 65 3HB TYR 65 -3.725 -12.103 -13.723 511 HD1 TYR 65 HD1 TYR 65 -6.420 -12.591 -14.594 512 HD2 TYR 65 HD2 TYR 65 -4.514 -8.875 -13.784 513 HE1 TYR 65 HE1 TYR 65 -7.971 -11.467 -16.136 514 HE2 TYR 65 HE2 TYR 65 -6.060 -7.740 -15.323 515 HH TYR 65 HH TYR 65 -8.720 -9.480 -16.871 516 H ALA 66 H ALA 66 -4.564 -14.574 -10.917 517 HA ALA 66 HA ALA 66 -2.852 -13.256 -8.910 518 HB1 ALA 66 1HB ALA 66 -4.155 -14.152 -7.355 519 HB2 ALA 66 2HB ALA 66 -5.103 -14.996 -8.581 520 HB3 ALA 66 3HB ALA 66 -3.660 -15.753 -7.906 521 H THR 67 H THR 67 -3.168 -15.819 -11.225 522 HA THR 67 HA THR 67 -0.486 -16.806 -10.508 523 HB THR 67 HB THR 67 -1.835 -18.532 -12.374 524 HG1 THR 67 HG1 THR 67 -3.782 -17.888 -11.507 525 HG21 THR 67 3HG2 THR 67 -0.020 -18.773 -10.364 526 HG22 THR 67 1HG2 THR 67 -0.875 -20.127 -11.101 527 HG23 THR 67 2HG2 THR 67 -1.468 -19.423 -9.596 528 H ASP 68 H ASP 68 0.898 -17.469 -12.301 529 HA ASP 68 HA ASP 68 1.201 -15.467 -14.230 530 HB2 ASP 68 2HB ASP 68 2.352 -18.233 -13.950 531 HB3 ASP 68 3HB ASP 68 2.745 -17.219 -15.336 532 H VAL 69 H VAL 69 -0.722 -18.332 -14.225 533 HA VAL 69 HA VAL 69 -1.007 -18.615 -17.045 534 HB VAL 69 HB VAL 69 -2.794 -19.586 -14.811 535 HG11 VAL 69 1HG1 VAL 69 -3.199 -19.553 -17.637 536 HG12 VAL 69 2HG1 VAL 69 -2.994 -21.222 -17.101 537 HG13 VAL 69 3HG1 VAL 69 -4.241 -20.208 -16.374 538 HG21 VAL 69 3HG2 VAL 69 -0.784 -20.689 -14.485 539 HG22 VAL 69 1HG2 VAL 69 -1.650 -21.800 -15.546 540 HG23 VAL 69 2HG2 VAL 69 -0.410 -20.734 -16.207 541 H ASP 70 H ASP 70 -3.100 -17.215 -14.528 542 HA ASP 70 HA ASP 70 -5.115 -16.330 -16.293 543 HB2 ASP 70 2HB ASP 70 -4.419 -15.103 -13.621 544 HB3 ASP 70 3HB ASP 70 -5.980 -15.077 -14.436 545 H VAL 71 H VAL 71 -2.190 -14.804 -15.052 546 HA VAL 71 HA VAL 71 -2.719 -12.212 -16.071 547 HB VAL 71 HB VAL 71 -0.094 -13.530 -15.366 548 HG11 VAL 71 1HG1 VAL 71 0.530 -10.993 -15.133 549 HG12 VAL 71 2HG1 VAL 71 0.631 -11.804 -16.697 550 HG13 VAL 71 3HG1 VAL 71 -0.759 -10.784 -16.318 551 HG21 VAL 71 3HG2 VAL 71 -1.848 -13.198 -13.563 552 HG22 VAL 71 1HG2 VAL 71 -0.270 -12.469 -13.265 553 HG23 VAL 71 2HG2 VAL 71 -1.619 -11.465 -13.797 554 H GLN 72 H GLN 72 -0.832 -14.949 -17.320 555 HA GLN 72 HA GLN 72 0.094 -13.672 -19.650 556 HB2 GLN 72 2HB GLN 72 1.192 -15.664 -18.978 557 HB3 GLN 72 3HB GLN 72 -0.314 -16.571 -18.940 558 HG2 GLN 72 2HG GLN 72 1.109 -17.140 -20.862 559 HG3 GLN 72 3HG GLN 72 -0.471 -16.516 -21.334 560 HE21 GLN 72 1HE2 GLN 72 0.353 -15.985 -23.381 561 HE22 GLN 72 2HE2 GLN 72 1.354 -14.598 -23.618 562 H ASN 73 H ASN 73 -2.824 -15.540 -18.977 563 HA ASN 73 HA ASN 73 -3.746 -15.627 -21.661 564 HB2 ASN 73 2HB ASN 73 -4.574 -16.660 -19.164 565 HB3 ASN 73 3HB ASN 73 -5.923 -15.711 -19.784 566 HD21 ASN 73 1HD2 ASN 73 -4.996 -18.706 -19.563 567 HD22 ASN 73 2HD2 ASN 73 -5.524 -19.356 -21.074 568 H ASP 74 H ASP 74 -4.265 -13.410 -18.971 569 HA ASP 74 HA ASP 74 -6.304 -11.871 -20.178 570 HB2 ASP 74 2HB ASP 74 -6.113 -11.588 -17.863 571 HB3 ASP 74 3HB ASP 74 -4.365 -11.378 -17.938 572 H VAL 75 H VAL 75 -2.791 -11.351 -19.942 573 HA VAL 75 HA VAL 75 -2.741 -8.962 -21.437 574 HB VAL 75 HB VAL 75 -0.330 -9.369 -21.697 575 HG11 VAL 75 1HG1 VAL 75 -1.068 -8.359 -19.647 576 HG12 VAL 75 2HG1 VAL 75 -1.450 -9.937 -18.956 577 HG13 VAL 75 3HG1 VAL 75 0.227 -9.497 -19.279 578 HG21 VAL 75 3HG2 VAL 75 0.638 -11.410 -20.620 579 HG22 VAL 75 1HG2 VAL 75 -0.998 -12.065 -20.528 580 HG23 VAL 75 2HG2 VAL 75 -0.270 -11.725 -22.098 581 H ALA 76 H ALA 76 -2.462 -12.353 -22.364 582 HA ALA 76 HA ALA 76 -1.721 -11.914 -25.057 583 HB1 ALA 76 1HB ALA 76 -1.295 -14.071 -24.438 584 HB2 ALA 76 2HB ALA 76 -2.783 -14.215 -23.502 585 HB3 ALA 76 3HB ALA 76 -2.838 -14.295 -25.263 586 H ARG 77 H ARG 77 -4.841 -12.198 -23.440 587 HA ARG 77 HA ARG 77 -6.385 -12.235 -25.836 588 HB2 ARG 77 2HB ARG 77 -6.943 -12.840 -23.272 589 HB3 ARG 77 3HB ARG 77 -7.613 -11.216 -23.339 590 HG2 ARG 77 2HG ARG 77 -9.160 -11.804 -25.002 591 HG3 ARG 77 3HG ARG 77 -8.312 -13.306 -25.373 592 HD2 ARG 77 2HD ARG 77 -8.836 -13.862 -22.868 593 HD3 ARG 77 3HD ARG 77 -10.096 -12.646 -23.073 594 HE ARG 77 HE ARG 77 -11.258 -14.113 -24.402 595 HH11 ARG 77 1HH1 ARG 77 -8.012 -15.284 -23.939 596 HH12 ARG 77 2HH1 ARG 77 -8.328 -16.830 -24.655 597 HH21 ARG 77 1HH2 ARG 77 -11.686 -16.145 -25.347 598 HH22 ARG 77 2HH2 ARG 77 -10.418 -17.318 -25.456 599 H MET 78 H MET 78 -5.264 -9.719 -23.648 600 HA MET 78 HA MET 78 -6.828 -7.617 -24.722 601 HB2 MET 78 2HB MET 78 -4.206 -7.552 -23.220 602 HB3 MET 78 3HB MET 78 -5.176 -6.132 -23.588 603 HG2 MET 78 2HG MET 78 -6.878 -8.010 -22.346 604 HG3 MET 78 3HG MET 78 -5.393 -7.935 -21.401 605 HE1 MET 78 3HE MET 78 -7.500 -6.720 -19.355 606 HE2 MET 78 1HE MET 78 -5.764 -7.021 -19.450 607 HE3 MET 78 2HE MET 78 -6.358 -5.412 -19.042 608 H ILE 79 H ILE 79 -3.463 -8.620 -25.296 609 HA ILE 79 HA ILE 79 -2.929 -6.645 -27.254 610 HB ILE 79 HB ILE 79 -0.997 -8.097 -27.879 611 HG12 ILE 79 2HG1 ILE 79 -0.767 -9.952 -25.917 612 HG13 ILE 79 3HG1 ILE 79 -2.508 -9.985 -26.174 613 HG21 ILE 79 1HG2 ILE 79 -1.276 -6.482 -25.771 614 HG22 ILE 79 2HG2 ILE 79 -0.919 -7.986 -24.924 615 HG23 ILE 79 3HG2 ILE 79 0.218 -7.353 -26.115 616 HD11 ILE 79 3HD1 ILE 79 -0.338 -10.978 -27.853 617 HD12 ILE 79 1HD1 ILE 79 -2.027 -11.477 -27.759 618 HD13 ILE 79 2HD1 ILE 79 -1.574 -10.072 -28.725 619 H THR 80 H THR 80 -4.130 -9.953 -27.422 620 HA THR 80 HA THR 80 -3.965 -10.263 -30.221 621 HB THR 80 HB THR 80 -5.748 -11.591 -28.179 622 HG1 THR 80 HG1 THR 80 -4.270 -13.279 -28.435 623 HG21 THR 80 3HG2 THR 80 -6.929 -11.737 -30.253 624 HG22 THR 80 1HG2 THR 80 -6.147 -13.294 -29.980 625 HG23 THR 80 2HG2 THR 80 -5.454 -12.148 -31.129 626 H ASN 81 H ASN 81 -6.622 -9.196 -28.118 627 HA ASN 81 HA ASN 81 -8.501 -8.830 -30.202 628 HB2 ASN 81 2HB ASN 81 -8.329 -7.712 -27.402 629 HB3 ASN 81 3HB ASN 81 -9.681 -7.379 -28.480 630 HD21 ASN 81 1HD2 ASN 81 -9.725 -8.732 -25.946 631 HD22 ASN 81 2HD2 ASN 81 -10.332 -10.323 -26.239 632 H ALA 82 H ALA 82 -6.249 -6.630 -28.582 633 HA ALA 82 HA ALA 82 -7.064 -4.246 -29.791 634 HB1 ALA 82 1HB ALA 82 -4.590 -3.597 -29.386 635 HB2 ALA 82 2HB ALA 82 -5.622 -3.962 -28.002 636 HB3 ALA 82 3HB ALA 82 -4.483 -5.171 -28.595 637 H LEU 83 H LEU 83 -4.380 -6.398 -30.742 638 HA LEU 83 HA LEU 83 -3.781 -5.022 -33.130 639 HB2 LEU 83 2HB LEU 83 -2.265 -6.708 -33.570 640 HB3 LEU 83 3HB LEU 83 -2.388 -6.741 -31.813 641 HG LEU 83 HG LEU 83 -4.219 -8.600 -32.394 642 HD11 LEU 83 1HD1 LEU 83 -4.136 -8.686 -34.708 643 HD12 LEU 83 2HD1 LEU 83 -3.070 -10.006 -34.230 644 HD13 LEU 83 3HD1 LEU 83 -2.386 -8.468 -34.756 645 HD21 LEU 83 3HD2 LEU 83 -1.306 -9.318 -32.463 646 HD22 LEU 83 1HD2 LEU 83 -2.645 -10.196 -31.724 647 HD23 LEU 83 2HD2 LEU 83 -2.074 -8.690 -31.005 648 H GLU 84 H GLU 84 -6.131 -7.457 -32.336 649 HA GLU 84 HA GLU 84 -6.670 -8.421 -34.926 650 HB2 GLU 84 2HB GLU 84 -7.532 -9.700 -33.151 651 HB3 GLU 84 3HB GLU 84 -8.277 -8.302 -32.389 652 HG2 GLU 84 2HG GLU 84 -10.045 -8.263 -33.899 653 HG3 GLU 84 3HG GLU 84 -9.185 -9.256 -35.074 654 H TYR 85 H TYR 85 -8.229 -5.848 -33.028 655 HA TYR 85 HA TYR 85 -9.878 -5.069 -35.273 656 HB2 TYR 85 2HB TYR 85 -11.081 -3.819 -33.784 657 HB3 TYR 85 3HB TYR 85 -10.341 -4.941 -32.648 658 HD1 TYR 85 HD1 TYR 85 -10.347 -1.500 -33.907 659 HD2 TYR 85 HD2 TYR 85 -8.590 -4.210 -31.136 660 HE1 TYR 85 HE1 TYR 85 -9.361 0.395 -32.688 661 HE2 TYR 85 HE2 TYR 85 -7.599 -2.322 -29.909 662 HH TYR 85 HH TYR 85 -7.789 0.964 -31.129 663 H ASN 86 H ASN 86 -6.812 -4.248 -33.973 664 HA ASN 86 HA ASN 86 -6.731 -1.662 -35.316 665 HB2 ASN 86 2HB ASN 86 -5.744 -2.061 -33.007 666 HB3 ASN 86 3HB ASN 86 -4.486 -3.001 -33.805 667 HD21 ASN 86 1HD2 ASN 86 -5.908 0.175 -33.470 668 HD22 ASN 86 2HD2 ASN 86 -4.539 1.059 -34.045 669 H ALA 87 H ALA 87 -6.400 -4.752 -36.270 670 HA ALA 87 HA ALA 87 -3.980 -4.722 -37.750 671 HB1 ALA 87 1HB ALA 87 -4.534 -6.877 -37.745 672 HB2 ALA 87 2HB ALA 87 -6.222 -6.517 -37.376 673 HB3 ALA 87 3HB ALA 87 -5.661 -6.501 -39.048 674 H LYS 88 H LYS 88 -3.794 -2.920 -39.031 675 HA LYS 88 HA LYS 88 -5.810 -2.607 -41.158 676 HB2 LYS 88 2HB LYS 88 -4.089 -0.598 -39.730 677 HB3 LYS 88 3HB LYS 88 -4.752 -0.249 -41.321 678 HG2 LYS 88 2HG LYS 88 -6.949 -0.272 -40.546 679 HG3 LYS 88 3HG LYS 88 -6.515 -1.136 -39.069 680 HD2 LYS 88 2HD LYS 88 -5.197 0.883 -38.383 681 HD3 LYS 88 3HD LYS 88 -5.883 1.727 -39.774 682 HE2 LYS 88 2HE LYS 88 -8.147 0.840 -38.712 683 HE3 LYS 88 3HE LYS 88 -7.174 0.857 -37.243 684 HZ1 LYS 88 3HZ LYS 88 -8.232 3.060 -38.771 685 HZ2 LYS 88 1HZ LYS 88 -6.609 3.251 -38.334 686 HZ3 LYS 88 2HZ LYS 88 -7.781 2.990 -37.142 687 H GLY 89 H GLY 89 -2.408 -1.627 -40.702 688 HA2 GLY 89 2HA GLY 89 -0.990 -3.237 -42.266 689 HA3 GLY 89 3HA GLY 89 -1.873 -2.327 -43.483 690 H SER 90 H SER 90 -1.736 0.000 -41.447 691 HA SER 90 HA SER 90 0.482 1.294 -42.645 692 HB2 SER 90 2HB SER 90 -0.483 2.451 -40.120 693 HB3 SER 90 3HB SER 90 -0.382 3.172 -41.726 694 HG SER 90 HG SER 90 -2.532 2.976 -41.231 695 H THR 91 H THR 91 1.789 2.672 -40.712 696 HA THR 91 HA THR 91 3.757 0.838 -39.859 697 HB THR 91 HB THR 91 3.705 3.377 -38.388 698 HG1 THR 91 HG1 THR 91 3.120 4.549 -40.046 699 HG21 THR 91 3HG2 THR 91 5.589 1.546 -39.215 700 HG22 THR 91 1HG2 THR 91 5.928 3.155 -38.578 701 HG23 THR 91 2HG2 THR 91 5.838 2.898 -40.320 702 H TRP 92 H TRP 92 0.900 2.107 -38.338 703 HA TRP 92 HA TRP 92 1.567 1.561 -35.651 704 HB2 TRP 92 2HB TRP 92 -0.865 2.240 -37.164 705 HB3 TRP 92 3HB TRP 92 -1.154 1.287 -35.711 706 HD1 TRP 92 HD1 TRP 92 -1.666 2.772 -33.706 707 HE1 TRP 92 HE1 TRP 92 -0.945 5.105 -32.891 708 HE3 TRP 92 HE3 TRP 92 1.509 4.017 -37.514 709 HZ2 TRP 92 HZ2 TRP 92 0.745 7.196 -33.750 710 HZ3 TRP 92 HZ3 TRP 92 2.638 6.202 -37.442 711 HH2 TRP 92 HH2 TRP 92 2.262 7.757 -35.598 712 H TYR 93 H TYR 93 0.115 -0.394 -38.196 713 HA TYR 93 HA TYR 93 -0.612 -2.584 -36.552 714 HB2 TYR 93 2HB TYR 93 -1.607 -2.279 -38.752 715 HB3 TYR 93 3HB TYR 93 -0.034 -2.466 -39.519 716 HD1 TYR 93 HD1 TYR 93 -1.600 -4.467 -36.792 717 HD2 TYR 93 HD2 TYR 93 -0.209 -4.394 -40.812 718 HE1 TYR 93 HE1 TYR 93 -1.977 -6.891 -36.960 719 HE2 TYR 93 HE2 TYR 93 -0.583 -6.818 -40.992 720 HH TYR 93 HH TYR 93 -1.478 -8.621 -40.007 721 H GLN 94 H GLN 94 2.288 -1.808 -38.409 722 HA GLN 94 HA GLN 94 3.585 -4.296 -38.013 723 HB2 GLN 94 2HB GLN 94 4.117 -1.891 -39.391 724 HB3 GLN 94 3HB GLN 94 5.469 -2.143 -38.295 725 HG2 GLN 94 2HG GLN 94 5.443 -4.561 -39.249 726 HG3 GLN 94 3HG GLN 94 4.540 -3.828 -40.573 727 HE21 GLN 94 1HE2 GLN 94 7.059 -5.037 -40.839 728 HE22 GLN 94 2HE2 GLN 94 8.195 -3.822 -41.306 729 H GLU 95 H GLU 95 3.853 -1.161 -36.358 730 HA GLU 95 HA GLU 95 5.808 -1.978 -34.494 731 HB2 GLU 95 2HB GLU 95 5.607 0.113 -33.598 732 HB3 GLU 95 3HB GLU 95 4.837 0.407 -35.152 733 HG2 GLU 95 2HG GLU 95 2.639 -0.083 -34.026 734 HG3 GLU 95 3HG GLU 95 3.513 -0.048 -32.495 735 H ALA 96 H ALA 96 2.298 -2.111 -34.485 736 HA ALA 96 HA ALA 96 1.988 -2.798 -31.751 737 HB1 ALA 96 1HB ALA 96 0.172 -3.268 -34.111 738 HB2 ALA 96 2HB ALA 96 -0.281 -3.520 -32.425 739 HB3 ALA 96 3HB ALA 96 0.130 -1.903 -32.995 740 H MET 97 H MET 97 2.125 -4.749 -34.720 741 HA MET 97 HA MET 97 1.805 -7.242 -33.408 742 HB2 MET 97 2HB MET 97 1.495 -6.658 -35.905 743 HB3 MET 97 3HB MET 97 3.233 -6.893 -36.031 744 HG2 MET 97 2HG MET 97 2.642 -9.167 -34.815 745 HG3 MET 97 3HG MET 97 1.076 -8.869 -35.567 746 HE1 MET 97 3HE MET 97 0.432 -9.530 -37.591 747 HE2 MET 97 1HE MET 97 1.147 -8.261 -38.586 748 HE3 MET 97 2HE MET 97 1.386 -9.956 -39.012 749 H SER 98 H SER 98 4.604 -5.307 -34.301 750 HA SER 98 HA SER 98 6.563 -7.276 -33.749 751 HB2 SER 98 2HB SER 98 6.725 -4.257 -33.838 752 HB3 SER 98 3HB SER 98 8.130 -5.306 -33.641 753 HG SER 98 HG SER 98 7.271 -4.547 -35.879 754 H PHE 99 H PHE 99 5.133 -4.683 -31.810 755 HA PHE 99 HA PHE 99 6.763 -5.109 -29.526 756 HB2 PHE 99 2HB PHE 99 4.303 -3.560 -30.144 757 HB3 PHE 99 3HB PHE 99 4.615 -3.923 -28.449 758 HD1 PHE 99 HD1 PHE 99 7.358 -3.627 -27.998 759 HD2 PHE 99 HD2 PHE 99 4.908 -1.426 -30.694 760 HE1 PHE 99 HE1 PHE 99 8.932 -1.739 -27.882 761 HE2 PHE 99 HE2 PHE 99 6.478 0.464 -30.583 762 HZ PHE 99 HZ PHE 99 8.494 0.309 -29.177 763 H ARG 100 H ARG 100 3.579 -6.287 -30.502 764 HA ARG 100 HA ARG 100 3.018 -7.634 -28.062 765 HB2 ARG 100 2HB ARG 100 1.171 -7.073 -29.453 766 HB3 ARG 100 3HB ARG 100 1.887 -7.873 -30.845 767 HG2 ARG 100 2HG ARG 100 1.335 -9.542 -28.464 768 HG3 ARG 100 3HG ARG 100 -0.049 -8.970 -29.399 769 HD2 ARG 100 2HD ARG 100 1.663 -9.827 -31.354 770 HD3 ARG 100 3HD ARG 100 1.970 -10.981 -30.057 771 HE ARG 100 HE ARG 100 -0.807 -10.676 -30.413 772 HH11 ARG 100 1HH1 ARG 100 1.987 -12.045 -31.976 773 HH12 ARG 100 2HH1 ARG 100 1.087 -13.281 -32.791 774 HH21 ARG 100 1HH2 ARG 100 -2.002 -12.300 -31.480 775 HH22 ARG 100 2HH2 ARG 100 -1.182 -13.425 -32.508 776 H LYS 101 H LYS 101 4.857 -8.426 -30.882 777 HA LYS 101 HA LYS 101 4.841 -11.255 -30.565 778 HB2 LYS 101 2HB LYS 101 6.385 -9.286 -32.177 779 HB3 LYS 101 3HB LYS 101 7.093 -10.880 -31.950 780 HG2 LYS 101 2HG LYS 101 5.281 -11.947 -33.018 781 HG3 LYS 101 3HG LYS 101 4.294 -10.484 -32.965 782 HD2 LYS 101 2HD LYS 101 5.077 -10.683 -35.193 783 HD3 LYS 101 3HD LYS 101 6.036 -9.405 -34.443 784 HE2 LYS 101 2HE LYS 101 7.537 -10.774 -35.677 785 HE3 LYS 101 3HE LYS 101 7.791 -11.137 -33.971 786 HZ1 LYS 101 3HZ LYS 101 5.848 -12.891 -34.834 787 HZ2 LYS 101 1HZ LYS 101 7.463 -13.253 -34.484 788 HZ3 LYS 101 2HZ LYS 101 7.006 -12.875 -36.067 789 H THR 102 H THR 102 6.523 -8.691 -29.019 790 HA THR 102 HA THR 102 8.365 -10.623 -27.767 791 HB THR 102 HB THR 102 9.476 -8.798 -29.058 792 HG1 THR 102 HG1 THR 102 11.018 -8.574 -27.518 793 HG21 THR 102 3HG2 THR 102 7.850 -7.018 -28.625 794 HG22 THR 102 1HG2 THR 102 9.472 -6.531 -28.133 795 HG23 THR 102 2HG2 THR 102 8.292 -7.025 -26.918 796 H TYR 103 H TYR 103 5.686 -8.641 -27.261 797 HA TYR 103 HA TYR 103 6.123 -7.846 -24.576 798 HB2 TYR 103 2HB TYR 103 4.454 -6.674 -25.796 799 HB3 TYR 103 3HB TYR 103 3.627 -8.163 -26.240 800 HD1 TYR 103 HD1 TYR 103 4.734 -6.537 -23.053 801 HD2 TYR 103 HD2 TYR 103 1.601 -8.457 -25.198 802 HE1 TYR 103 HE1 TYR 103 3.255 -6.290 -21.102 803 HE2 TYR 103 HE2 TYR 103 0.113 -8.215 -23.254 804 HH TYR 103 HH TYR 103 -0.102 -7.453 -21.184 805 H LEU 104 H LEU 104 4.169 -10.491 -25.954 806 HA LEU 104 HA LEU 104 3.577 -11.651 -23.428 807 HB2 LEU 104 2HB LEU 104 2.692 -13.516 -24.699 808 HB3 LEU 104 3HB LEU 104 2.159 -11.982 -25.384 809 HG LEU 104 HG LEU 104 4.461 -12.647 -26.813 810 HD11 LEU 104 1HD1 LEU 104 2.867 -15.055 -26.071 811 HD12 LEU 104 2HD1 LEU 104 4.610 -14.875 -26.274 812 HD13 LEU 104 3HD1 LEU 104 3.559 -14.936 -27.689 813 HD21 LEU 104 3HD2 LEU 104 1.650 -13.230 -27.700 814 HD22 LEU 104 1HD2 LEU 104 3.018 -12.675 -28.665 815 HD23 LEU 104 2HD2 LEU 104 2.254 -11.583 -27.510 816 H ASP 105 H ASP 105 6.074 -12.178 -25.844 817 HA ASP 105 HA ASP 105 7.109 -14.584 -24.796 818 HB2 ASP 105 2HB ASP 105 7.575 -13.464 -27.074 819 HB3 ASP 105 3HB ASP 105 8.788 -12.523 -26.208 820 H LEU 106 H LEU 106 7.851 -11.191 -24.149 821 HA LEU 106 HA LEU 106 9.949 -11.866 -22.278 822 HB2 LEU 106 2HB LEU 106 8.681 -9.282 -23.139 823 HB3 LEU 106 3HB LEU 106 9.865 -9.359 -21.836 824 HG LEU 106 HG LEU 106 10.373 -10.199 -24.690 825 HD11 LEU 106 1HD1 LEU 106 10.352 -7.955 -24.976 826 HD12 LEU 106 2HD1 LEU 106 11.979 -8.098 -24.312 827 HD13 LEU 106 3HD1 LEU 106 10.641 -7.620 -23.269 828 HD21 LEU 106 3HD2 LEU 106 12.111 -10.047 -22.240 829 HD22 LEU 106 1HD2 LEU 106 12.767 -10.082 -23.877 830 HD23 LEU 106 2HD2 LEU 106 11.807 -11.438 -23.282 831 H ALA 107 H ALA 107 6.556 -11.271 -22.203 832 HA ALA 107 HA ALA 107 6.563 -10.857 -19.306 833 HB1 ALA 107 1HB ALA 107 5.150 -9.484 -20.950 834 HB2 ALA 107 2HB ALA 107 4.112 -10.907 -21.031 835 HB3 ALA 107 3HB ALA 107 4.368 -10.090 -19.489 836 H ARG 108 H ARG 108 7.444 -13.198 -19.332 837 HA ARG 108 HA ARG 108 5.446 -14.888 -18.296 838 HB2 ARG 108 2HB ARG 108 5.030 -15.013 -20.828 839 HB3 ARG 108 3HB ARG 108 6.539 -15.911 -20.908 840 HG2 ARG 108 2HG ARG 108 5.132 -17.664 -20.712 841 HG3 ARG 108 3HG ARG 108 5.327 -17.315 -18.993 842 HD2 ARG 108 2HD ARG 108 3.296 -15.816 -19.210 843 HD3 ARG 108 3HD ARG 108 3.055 -16.533 -20.803 844 HE ARG 108 HE ARG 108 2.420 -17.707 -18.294 845 HH11 ARG 108 1HH1 ARG 108 3.540 -18.451 -21.505 846 HH12 ARG 108 2HH1 ARG 108 2.927 -20.071 -21.485 847 HH21 ARG 108 1HH2 ARG 108 1.608 -19.838 -18.255 848 HH22 ARG 108 2HH2 ARG 108 1.827 -20.859 -19.636 849 H GLN 109 H GLN 109 8.341 -15.534 -20.277 850 HA GLN 109 HA GLN 109 9.402 -17.368 -18.375 851 HB2 GLN 109 2HB GLN 109 10.928 -16.023 -20.602 852 HB3 GLN 109 3HB GLN 109 11.273 -17.572 -19.844 853 HG2 GLN 109 2HG GLN 109 8.637 -17.666 -20.891 854 HG3 GLN 109 3HG GLN 109 9.711 -17.034 -22.139 855 HE21 GLN 109 1HE2 GLN 109 8.733 -19.776 -20.350 856 HE22 GLN 109 2HE2 GLN 109 9.791 -20.922 -21.091 857 H SER 110 H SER 110 9.914 -13.968 -19.072 858 HA SER 110 HA SER 110 12.169 -13.749 -17.284 859 HB2 SER 110 2HB SER 110 10.556 -11.504 -18.508 860 HB3 SER 110 3HB SER 110 12.197 -11.418 -17.869 861 HG SER 110 HG SER 110 11.513 -13.128 -20.012 862 H GLY 111 H GLY 111 8.989 -14.184 -16.732 863 HA2 GLY 111 2HA GLY 111 9.086 -13.567 -14.011 864 HA3 GLY 111 3HA GLY 111 8.340 -12.202 -14.828 Start of MODEL 18 1 H1 MET 1 H MET 1 5.242 0.826 -3.678 2 HA MET 1 HA MET 1 7.096 -0.569 -5.211 3 HB2 MET 1 2HB MET 1 8.239 0.779 -2.781 4 HB3 MET 1 3HB MET 1 8.911 -0.734 -3.373 5 HG2 MET 1 2HG MET 1 9.867 0.231 -5.167 6 HG3 MET 1 3HG MET 1 8.552 1.384 -5.384 7 HE1 MET 1 3HE MET 1 11.666 0.504 -3.092 8 HE2 MET 1 1HE MET 1 11.694 1.928 -2.051 9 HE3 MET 1 2HE MET 1 10.334 0.808 -1.976 10 H SER 2 H SER 2 7.328 -2.730 -4.554 11 HA SER 2 HA SER 2 6.256 -3.582 -2.007 12 HB2 SER 2 2HB SER 2 4.686 -3.716 -4.488 13 HB3 SER 2 3HB SER 2 4.796 -5.249 -3.623 14 HG SER 2 HG SER 2 4.187 -2.898 -2.213 15 H LYS 3 H LYS 3 6.139 -6.130 -2.060 16 HA LYS 3 HA LYS 3 8.485 -7.126 -3.535 17 HB2 LYS 3 2HB LYS 3 8.375 -6.742 -0.801 18 HB3 LYS 3 3HB LYS 3 7.995 -8.451 -0.976 19 HG2 LYS 3 2HG LYS 3 10.055 -8.943 -1.923 20 HG3 LYS 3 3HG LYS 3 10.356 -7.264 -2.378 21 HD2 LYS 3 2HD LYS 3 10.685 -6.653 -0.065 22 HD3 LYS 3 3HD LYS 3 10.242 -8.278 0.462 23 HE2 LYS 3 2HE LYS 3 12.249 -9.162 -0.128 24 HE3 LYS 3 3HE LYS 3 12.453 -8.065 -1.493 25 HZ1 LYS 3 3HZ LYS 3 12.573 -6.929 1.199 26 HZ2 LYS 3 1HZ LYS 3 13.411 -6.482 -0.200 27 HZ3 LYS 3 2HZ LYS 3 13.895 -7.845 0.676 28 H ASN 4 H ASN 4 8.430 -9.747 -2.835 29 HA ASN 4 HA ASN 4 5.783 -10.651 -3.762 30 HB2 ASN 4 2HB ASN 4 7.111 -12.604 -4.767 31 HB3 ASN 4 3HB ASN 4 7.236 -11.045 -5.576 32 HD21 ASN 4 1HD2 ASN 4 9.145 -9.841 -5.367 33 HD22 ASN 4 2HD2 ASN 4 10.630 -10.584 -4.890 34 H GLU 5 H GLU 5 4.858 -11.331 -1.899 35 HA GLU 5 HA GLU 5 6.354 -12.841 0.058 36 HB2 GLU 5 2HB GLU 5 3.373 -12.386 0.012 37 HB3 GLU 5 3HB GLU 5 4.383 -12.769 1.399 38 HG2 GLU 5 2HG GLU 5 4.399 -10.592 1.818 39 HG3 GLU 5 3HG GLU 5 5.491 -10.440 0.443 40 H ARG 6 H ARG 6 3.603 -13.464 -2.110 41 HA ARG 6 HA ARG 6 4.045 -16.348 -1.721 42 HB2 ARG 6 2HB ARG 6 1.624 -14.697 -2.151 43 HB3 ARG 6 3HB ARG 6 1.658 -16.251 -2.972 44 HG2 ARG 6 2HG ARG 6 2.413 -17.048 -0.540 45 HG3 ARG 6 3HG ARG 6 1.467 -15.627 -0.093 46 HD2 ARG 6 2HD ARG 6 -0.349 -16.903 -0.265 47 HD3 ARG 6 3HD ARG 6 -0.076 -16.923 -2.007 48 HE ARG 6 HE ARG 6 1.514 -18.921 -1.027 49 HH11 ARG 6 1HH1 ARG 6 -1.879 -18.153 -0.876 50 HH12 ARG 6 2HH1 ARG 6 -2.382 -19.808 -0.770 51 HH21 ARG 6 1HH2 ARG 6 0.864 -21.103 -0.888 52 HH22 ARG 6 2HH2 ARG 6 -0.821 -21.485 -0.776 53 H ASP 7 H ASP 7 3.285 -13.914 -4.196 54 HA ASP 7 HA ASP 7 3.755 -13.807 -6.419 55 HB2 ASP 7 2HB ASP 7 6.062 -14.488 -5.428 56 HB3 ASP 7 3HB ASP 7 5.707 -16.069 -6.119 57 H THR 8 H THR 8 1.783 -15.740 -5.299 58 HA THR 8 HA THR 8 1.437 -17.312 -7.744 59 HB THR 8 HB THR 8 0.736 -19.298 -6.456 60 HG1 THR 8 HG1 THR 8 0.549 -19.179 -4.353 61 HG21 THR 8 3HG2 THR 8 2.966 -20.034 -5.780 62 HG22 THR 8 1HG2 THR 8 3.533 -18.365 -5.795 63 HG23 THR 8 2HG2 THR 8 3.037 -19.141 -7.299 64 H SER 9 H SER 9 0.205 -14.894 -6.474 65 HA SER 9 HA SER 9 -2.572 -15.804 -6.683 66 HB2 SER 9 2HB SER 9 -1.296 -14.596 -4.319 67 HB3 SER 9 3HB SER 9 -2.814 -13.839 -4.799 68 HG SER 9 HG SER 9 -3.600 -16.126 -4.883 69 H PHE 10 H PHE 10 -0.342 -13.056 -6.570 70 HA PHE 10 HA PHE 10 -2.058 -11.694 -8.535 71 HB2 PHE 10 2HB PHE 10 -1.242 -9.529 -7.486 72 HB3 PHE 10 3HB PHE 10 -2.380 -10.468 -6.525 73 HD1 PHE 10 HD2 PHE 10 -1.615 -11.701 -4.549 74 HD2 PHE 10 HD1 PHE 10 1.006 -9.187 -6.769 75 HE1 PHE 10 HE2 PHE 10 -0.030 -11.699 -2.668 76 HE2 PHE 10 HE1 PHE 10 2.596 -9.182 -4.892 77 HZ PHE 10 HZ PHE 10 2.079 -10.438 -2.837 78 H ASN 11 H ASN 11 -1.064 -11.072 -10.347 79 HA ASN 11 HA ASN 11 1.857 -11.339 -10.466 80 HB2 ASN 11 2HB ASN 11 -0.341 -11.878 -12.339 81 HB3 ASN 11 3HB ASN 11 1.031 -11.047 -13.066 82 HD21 ASN 11 1HD2 ASN 11 3.018 -12.077 -13.176 83 HD22 ASN 11 2HD2 ASN 11 3.188 -13.779 -12.931 84 H LYS 12 H LYS 12 2.159 -9.251 -9.463 85 HA LYS 12 HA LYS 12 1.174 -6.846 -10.551 86 HB2 LYS 12 2HB LYS 12 2.134 -7.063 -8.276 87 HB3 LYS 12 3HB LYS 12 3.726 -7.285 -8.989 88 HG2 LYS 12 2HG LYS 12 3.946 -5.083 -8.724 89 HG3 LYS 12 3HG LYS 12 2.908 -4.951 -10.146 90 HD2 LYS 12 2HD LYS 12 1.633 -5.232 -7.468 91 HD3 LYS 12 3HD LYS 12 2.338 -3.675 -7.909 92 HE2 LYS 12 2HE LYS 12 0.753 -3.251 -9.462 93 HE3 LYS 12 3HE LYS 12 0.640 -4.939 -9.959 94 HZ1 LYS 12 3HZ LYS 12 -1.284 -4.937 -8.866 95 HZ2 LYS 12 1HZ LYS 12 -0.948 -3.485 -8.065 96 HZ3 LYS 12 2HZ LYS 12 -0.373 -4.948 -7.441 97 H ASN 13 H ASN 13 3.988 -8.804 -11.289 98 HA ASN 13 HA ASN 13 5.456 -6.981 -12.804 99 HB2 ASN 13 2HB ASN 13 6.494 -8.943 -13.857 100 HB3 ASN 13 3HB ASN 13 6.340 -9.164 -12.116 101 HD21 ASN 13 1HD2 ASN 13 5.348 -10.231 -15.237 102 HD22 ASN 13 2HD2 ASN 13 4.454 -11.615 -14.716 103 H GLY 14 H GLY 14 2.836 -9.166 -13.770 104 HA2 GLY 14 2HA GLY 14 2.935 -8.617 -16.534 105 HA3 GLY 14 3HA GLY 14 1.542 -9.244 -15.664 106 H CYS 15 H CYS 15 1.228 -7.025 -13.888 107 HA CYS 15 HA CYS 15 -0.374 -5.354 -15.517 108 HB2 CYS 15 2HB CYS 15 0.550 -4.755 -12.705 109 HB3 CYS 15 3HB CYS 15 -0.898 -4.157 -13.506 110 HG CYS 15 HG CYS 15 -1.822 -6.965 -13.727 111 H LEU 16 H LEU 16 2.717 -4.819 -13.852 112 HA LEU 16 HA LEU 16 3.050 -2.139 -14.636 113 HB2 LEU 16 2HB LEU 16 4.390 -2.868 -12.868 114 HB3 LEU 16 3HB LEU 16 4.935 -4.293 -13.751 115 HG LEU 16 HG LEU 16 5.744 -1.776 -14.996 116 HD11 LEU 16 1HD1 LEU 16 7.575 -1.467 -13.257 117 HD12 LEU 16 2HD1 LEU 16 6.549 -2.405 -12.172 118 HD13 LEU 16 3HD1 LEU 16 5.966 -0.880 -12.839 119 HD21 LEU 16 3HD2 LEU 16 7.006 -4.381 -14.212 120 HD22 LEU 16 1HD2 LEU 16 7.980 -3.025 -14.781 121 HD23 LEU 16 2HD2 LEU 16 6.736 -3.715 -15.824 122 H VAL 17 H VAL 17 4.048 -5.178 -16.139 123 HA VAL 17 HA VAL 17 5.552 -4.008 -18.237 124 HB VAL 17 HB VAL 17 4.208 -6.709 -18.087 125 HG11 VAL 17 1HG1 VAL 17 6.252 -5.662 -20.042 126 HG12 VAL 17 2HG1 VAL 17 5.741 -7.346 -19.911 127 HG13 VAL 17 3HG1 VAL 17 4.584 -6.107 -20.401 128 HG21 VAL 17 3HG2 VAL 17 6.123 -5.956 -16.463 129 HG22 VAL 17 1HG2 VAL 17 6.155 -7.555 -17.205 130 HG23 VAL 17 2HG2 VAL 17 7.149 -6.257 -17.866 131 H PHE 18 H PHE 18 2.169 -4.935 -17.904 132 HA PHE 18 HA PHE 18 1.436 -4.604 -20.607 133 HB2 PHE 18 2HB PHE 18 -0.004 -5.824 -19.098 134 HB3 PHE 18 3HB PHE 18 -0.203 -4.406 -18.074 135 HD1 PHE 18 HD2 PHE 18 -1.630 -2.565 -18.761 136 HD2 PHE 18 HD1 PHE 18 -1.201 -6.047 -21.171 137 HE1 PHE 18 HE2 PHE 18 -3.620 -1.912 -20.052 138 HE2 PHE 18 HE1 PHE 18 -3.191 -5.400 -22.466 139 HZ PHE 18 HZ PHE 18 -4.404 -3.331 -21.906 140 H VAL 19 H VAL 19 0.988 -2.420 -17.824 141 HA VAL 19 HA VAL 19 -0.017 -0.252 -19.296 142 HB VAL 19 HB VAL 19 0.620 1.141 -17.345 143 HG11 VAL 19 1HG1 VAL 19 -1.384 -0.582 -17.520 144 HG12 VAL 19 2HG1 VAL 19 -0.539 -1.324 -16.160 145 HG13 VAL 19 3HG1 VAL 19 -1.085 0.350 -16.054 146 HG21 VAL 19 3HG2 VAL 19 2.069 -1.365 -16.577 147 HG22 VAL 19 1HG2 VAL 19 2.640 0.303 -16.562 148 HG23 VAL 19 2HG2 VAL 19 1.489 -0.246 -15.343 149 H SER 20 H SER 20 3.275 -1.176 -18.436 150 HA SER 20 HA SER 20 4.563 1.183 -19.266 151 HB2 SER 20 2HB SER 20 5.440 -1.651 -18.842 152 HB3 SER 20 3HB SER 20 6.544 -0.510 -19.610 153 HG SER 20 HG SER 20 6.961 -0.272 -17.496 154 H ARG 21 H ARG 21 4.012 -1.882 -20.989 155 HA ARG 21 HA ARG 21 5.169 -0.995 -23.426 156 HB2 ARG 21 2HB ARG 21 3.600 -3.346 -22.524 157 HB3 ARG 21 3HB ARG 21 3.572 -2.995 -24.247 158 HG2 ARG 21 2HG ARG 21 5.317 -4.608 -23.635 159 HG3 ARG 21 3HG ARG 21 5.977 -3.140 -24.359 160 HD2 ARG 21 2HD ARG 21 5.729 -3.079 -21.432 161 HD3 ARG 21 3HD ARG 21 6.872 -4.269 -22.055 162 HE ARG 21 HE ARG 21 7.353 -1.839 -23.347 163 HH11 ARG 21 1HH1 ARG 21 7.577 -3.228 -20.163 164 HH12 ARG 21 2HH1 ARG 21 8.889 -2.210 -19.669 165 HH21 ARG 21 1HH2 ARG 21 9.080 -0.493 -22.709 166 HH22 ARG 21 2HH2 ARG 21 9.743 -0.654 -21.118 167 H LEU 22 H LEU 22 1.880 -1.039 -22.157 168 HA LEU 22 HA LEU 22 0.512 -0.366 -24.502 169 HB2 LEU 22 2HB LEU 22 -0.942 -0.983 -22.870 170 HB3 LEU 22 3HB LEU 22 -0.023 -0.181 -21.598 171 HG LEU 22 HG LEU 22 -1.442 1.546 -23.550 172 HD11 LEU 22 1HD1 LEU 22 -3.509 1.348 -22.126 173 HD12 LEU 22 2HD1 LEU 22 -2.818 -0.136 -21.470 174 HD13 LEU 22 3HD1 LEU 22 -3.182 -0.018 -23.192 175 HD21 LEU 22 3HD2 LEU 22 -1.931 2.346 -20.944 176 HD22 LEU 22 1HD2 LEU 22 -0.699 2.991 -22.029 177 HD23 LEU 22 2HD2 LEU 22 -0.289 1.702 -20.897 178 H TRP 23 H TRP 23 1.976 1.690 -22.015 179 HA TRP 23 HA TRP 23 1.118 4.161 -23.016 180 HB2 TRP 23 2HB TRP 23 3.459 3.322 -21.326 181 HB3 TRP 23 3HB TRP 23 3.266 4.999 -21.830 182 HD1 TRP 23 HD1 TRP 23 0.013 5.001 -21.480 183 HE1 TRP 23 HE1 TRP 23 -0.931 5.146 -19.090 184 HE3 TRP 23 HE3 TRP 23 4.117 3.397 -18.888 185 HZ2 TRP 23 HZ2 TRP 23 -0.052 4.647 -16.454 186 HZ3 TRP 23 HZ3 TRP 23 3.983 3.260 -16.434 187 HH2 TRP 23 HH2 TRP 23 1.941 3.873 -15.245 188 H ASP 24 H ASP 24 3.868 2.139 -23.857 189 HA ASP 24 HA ASP 24 5.176 4.060 -25.494 190 HB2 ASP 24 2HB ASP 24 5.576 1.305 -24.714 191 HB3 ASP 24 3HB ASP 24 5.874 1.511 -26.438 192 H LEU 25 H LEU 25 3.257 1.174 -26.342 193 HA LEU 25 HA LEU 25 3.175 1.627 -29.095 194 HB2 LEU 25 2HB LEU 25 1.789 -0.156 -29.189 195 HB3 LEU 25 3HB LEU 25 2.368 -0.371 -27.539 196 HG LEU 25 HG LEU 25 0.223 1.092 -26.993 197 HD11 LEU 25 1HD1 LEU 25 -0.201 0.074 -29.747 198 HD12 LEU 25 2HD1 LEU 25 -0.793 1.545 -28.976 199 HD13 LEU 25 3HD1 LEU 25 -1.557 -0.004 -28.622 200 HD21 LEU 25 3HD2 LEU 25 -0.751 -0.844 -26.233 201 HD22 LEU 25 1HD2 LEU 25 0.917 -1.375 -26.452 202 HD23 LEU 25 2HD2 LEU 25 -0.299 -1.766 -27.668 203 H ASP 26 H ASP 26 1.406 3.095 -26.508 204 HA ASP 26 HA ASP 26 -0.734 4.121 -28.103 205 HB2 ASP 26 2HB ASP 26 -1.056 3.829 -25.719 206 HB3 ASP 26 3HB ASP 26 0.283 4.919 -25.369 207 H LYS 27 H LYS 27 0.668 4.943 -29.849 208 HA LYS 27 HA LYS 27 2.364 7.188 -29.397 209 HB2 LYS 27 2HB LYS 27 1.168 5.954 -31.869 210 HB3 LYS 27 3HB LYS 27 2.134 7.422 -31.945 211 HG2 LYS 27 2HG LYS 27 3.819 5.908 -30.550 212 HG3 LYS 27 3HG LYS 27 2.954 4.631 -31.409 213 HD2 LYS 27 2HD LYS 27 3.957 5.125 -33.345 214 HD3 LYS 27 3HD LYS 27 3.665 6.854 -33.143 215 HE2 LYS 27 2HE LYS 27 5.711 5.743 -31.359 216 HE3 LYS 27 3HE LYS 27 6.114 5.662 -33.073 217 HZ1 LYS 27 3HZ LYS 27 5.245 8.134 -31.679 218 HZ2 LYS 27 1HZ LYS 27 5.805 8.011 -33.270 219 HZ3 LYS 27 2HZ LYS 27 6.859 7.727 -31.978 220 H LEU 28 H LEU 28 -1.021 6.770 -30.150 221 HA LEU 28 HA LEU 28 -1.710 9.258 -31.122 222 HB2 LEU 28 2HB LEU 28 -3.390 7.640 -31.102 223 HB3 LEU 28 3HB LEU 28 -3.160 7.291 -29.390 224 HG LEU 28 HG LEU 28 -4.028 10.023 -29.822 225 HD11 LEU 28 1HD1 LEU 28 -5.161 9.223 -31.762 226 HD12 LEU 28 2HD1 LEU 28 -6.354 9.388 -30.473 227 HD13 LEU 28 3HD1 LEU 28 -5.738 7.793 -30.905 228 HD21 LEU 28 3HD2 LEU 28 -4.038 8.501 -27.735 229 HD22 LEU 28 1HD2 LEU 28 -5.535 7.857 -28.408 230 HD23 LEU 28 2HD2 LEU 28 -5.412 9.572 -28.014 231 H GLY 29 H GLY 29 -0.897 8.315 -27.857 232 HA2 GLY 29 2HA GLY 29 0.063 10.097 -26.463 233 HA3 GLY 29 3HA GLY 29 -1.233 11.135 -27.040 234 H MET 30 H MET 30 -3.501 10.022 -26.638 235 HA MET 30 HA MET 30 -3.504 8.959 -23.892 236 HB2 MET 30 2HB MET 30 -5.120 11.198 -25.071 237 HB3 MET 30 3HB MET 30 -5.746 10.264 -23.718 238 HG2 MET 30 2HG MET 30 -3.257 10.867 -22.830 239 HG3 MET 30 3HG MET 30 -3.632 12.289 -23.800 240 HE1 MET 30 3HE MET 30 -3.146 12.633 -20.608 241 HE2 MET 30 1HE MET 30 -3.441 13.844 -21.856 242 HE3 MET 30 2HE MET 30 -4.428 13.827 -20.394 243 H PHE 31 H PHE 31 -3.590 6.946 -25.281 244 HA PHE 31 HA PHE 31 -6.341 6.394 -26.167 245 HB2 PHE 31 2HB PHE 31 -4.410 6.126 -27.810 246 HB3 PHE 31 3HB PHE 31 -3.903 4.749 -26.837 247 HD1 PHE 31 HD1 PHE 31 -5.280 2.731 -26.727 248 HD2 PHE 31 HD2 PHE 31 -6.316 6.003 -29.244 249 HE1 PHE 31 HE1 PHE 31 -6.829 1.279 -27.972 250 HE2 PHE 31 HE2 PHE 31 -7.867 4.557 -30.492 251 HZ PHE 31 HZ PHE 31 -8.125 2.192 -29.856 252 H HIS 32 H HIS 32 -7.539 5.234 -24.827 253 HA HIS 32 HA HIS 32 -6.780 2.785 -23.712 254 HB2 HIS 32 2HB HIS 32 -6.857 3.569 -21.257 255 HB3 HIS 32 3HB HIS 32 -5.363 3.820 -22.156 256 HD1 HIS 32 HD1 HIS 32 -8.521 5.849 -21.481 257 HD2 HIS 32 HD2 HIS 32 -4.403 6.308 -21.777 258 HE1 HIS 32 HE1 HIS 32 -8.077 8.274 -20.983 259 H HIS 33 H HIS 33 -8.946 3.208 -25.048 260 HA HIS 33 HA HIS 33 -11.070 2.879 -23.109 261 HB2 HIS 33 2HB HIS 33 -10.817 5.283 -24.823 262 HB3 HIS 33 3HB HIS 33 -12.417 4.552 -24.743 263 HD1 HIS 33 HD1 HIS 33 -11.341 7.348 -23.460 264 HD2 HIS 33 HD2 HIS 33 -12.268 3.814 -21.483 265 HE1 HIS 33 HE1 HIS 33 -11.861 8.018 -21.092 266 HA PRO 34 HA PRO 34 -12.650 0.050 -26.065 267 HB2 PRO 34 2HB PRO 34 -15.333 0.298 -25.733 268 HB3 PRO 34 3HB PRO 34 -14.285 -0.480 -24.541 269 HG2 PRO 34 2HG PRO 34 -15.390 2.302 -24.561 270 HG3 PRO 34 3HG PRO 34 -15.264 1.158 -23.212 271 HD2 PRO 34 2HD PRO 34 -13.507 3.188 -23.571 272 HD3 PRO 34 3HD PRO 34 -13.037 1.634 -22.853 273 H VAL 35 H VAL 35 -13.420 -0.116 -28.152 274 HA VAL 35 HA VAL 35 -13.538 2.285 -29.679 275 HB VAL 35 HB VAL 35 -13.873 0.876 -31.608 276 HG11 VAL 35 1HG1 VAL 35 -11.964 -0.400 -29.651 277 HG12 VAL 35 2HG1 VAL 35 -11.934 -0.612 -31.403 278 HG13 VAL 35 3HG1 VAL 35 -11.617 0.975 -30.700 279 HG21 VAL 35 3HG2 VAL 35 -13.877 -1.738 -30.766 280 HG22 VAL 35 1HG2 VAL 35 -14.968 -0.956 -29.622 281 HG23 VAL 35 2HG2 VAL 35 -15.280 -0.845 -31.354 282 H SER 36 H SER 36 -15.257 3.230 -30.743 283 HA SER 36 HA SER 36 -17.827 2.892 -29.495 284 HB2 SER 36 2HB SER 36 -16.760 5.101 -30.277 285 HB3 SER 36 3HB SER 36 -17.275 4.628 -31.896 286 HG SER 36 HG SER 36 -18.895 5.093 -29.619 287 H ALA 37 H ALA 37 -19.686 2.081 -30.372 288 HA ALA 37 HA ALA 37 -19.485 0.045 -32.296 289 HB1 ALA 37 1HB ALA 37 -21.680 -0.396 -31.857 290 HB2 ALA 37 2HB ALA 37 -21.282 0.560 -30.428 291 HB3 ALA 37 3HB ALA 37 -22.124 1.309 -31.784 292 H GLU 38 H GLU 38 -20.389 3.429 -32.546 293 HA GLU 38 HA GLU 38 -21.600 3.498 -35.023 294 HB2 GLU 38 2HB GLU 38 -20.792 5.816 -35.201 295 HB3 GLU 38 3HB GLU 38 -21.430 5.464 -33.601 296 HG2 GLU 38 2HG GLU 38 -19.067 5.075 -32.854 297 HG3 GLU 38 3HG GLU 38 -18.549 5.705 -34.417 298 H GLU 39 H GLU 39 -18.156 3.384 -34.253 299 HA GLU 39 HA GLU 39 -17.457 3.411 -37.082 300 HB2 GLU 39 2HB GLU 39 -16.094 4.732 -35.531 301 HB3 GLU 39 3HB GLU 39 -15.708 3.279 -34.620 302 HG2 GLU 39 2HG GLU 39 -14.140 2.621 -36.079 303 HG3 GLU 39 3HG GLU 39 -15.076 3.141 -37.479 304 H LEU 40 H LEU 40 -17.779 1.203 -34.425 305 HA LEU 40 HA LEU 40 -17.054 -1.003 -36.223 306 HB2 LEU 40 2HB LEU 40 -15.298 -0.352 -34.428 307 HB3 LEU 40 3HB LEU 40 -16.411 -1.128 -33.303 308 HG LEU 40 HG LEU 40 -16.187 -3.233 -34.532 309 HD11 LEU 40 1HD1 LEU 40 -14.229 -3.305 -36.192 310 HD12 LEU 40 2HD1 LEU 40 -14.450 -1.560 -36.312 311 HD13 LEU 40 3HD1 LEU 40 -15.769 -2.648 -36.747 312 HD21 LEU 40 3HD2 LEU 40 -14.497 -3.702 -33.175 313 HD22 LEU 40 1HD2 LEU 40 -14.241 -1.974 -32.937 314 HD23 LEU 40 2HD2 LEU 40 -13.372 -2.826 -34.214 315 HA PRO 41 HA PRO 41 -21.252 -1.652 -34.410 316 HB2 PRO 41 2HB PRO 41 -22.338 -2.590 -36.714 317 HB3 PRO 41 3HB PRO 41 -22.239 -0.868 -36.331 318 HG2 PRO 41 2HG PRO 41 -20.461 -2.525 -38.078 319 HG3 PRO 41 3HG PRO 41 -21.105 -0.898 -38.361 320 HD2 PRO 41 2HD PRO 41 -18.576 -1.333 -37.498 321 HD3 PRO 41 3HD PRO 41 -19.511 0.102 -37.030 322 H ASP 42 H ASP 42 -18.900 -3.598 -35.997 323 HA ASP 42 HA ASP 42 -20.249 -6.051 -35.081 324 HB2 ASP 42 2HB ASP 42 -19.240 -7.248 -36.810 325 HB3 ASP 42 3HB ASP 42 -19.609 -5.704 -37.573 326 H TYR 43 H TYR 43 -18.353 -4.034 -33.720 327 HA TYR 43 HA TYR 43 -15.879 -5.165 -33.208 328 HB2 TYR 43 2HB TYR 43 -15.753 -3.766 -31.305 329 HB3 TYR 43 3HB TYR 43 -16.772 -2.901 -32.449 330 HD1 TYR 43 HD2 TYR 43 -19.376 -3.455 -32.176 331 HD2 TYR 43 HD1 TYR 43 -16.452 -3.848 -29.110 332 HE1 TYR 43 HE2 TYR 43 -21.144 -3.280 -30.475 333 HE2 TYR 43 HE1 TYR 43 -18.211 -3.675 -27.401 334 HH TYR 43 HH TYR 43 -21.605 -3.151 -28.304 335 H HIS 44 H HIS 44 -19.021 -5.960 -31.872 336 HA HIS 44 HA HIS 44 -18.146 -7.577 -29.735 337 HB2 HIS 44 2HB HIS 44 -20.560 -6.661 -30.519 338 HB3 HIS 44 3HB HIS 44 -20.673 -8.323 -31.090 339 HD1 HIS 44 HD1 HIS 44 -21.061 -10.122 -29.362 340 HD2 HIS 44 HD2 HIS 44 -20.250 -6.411 -27.680 341 HE1 HIS 44 HE1 HIS 44 -21.531 -10.380 -26.905 342 H THR 45 H THR 45 -18.738 -8.245 -33.135 343 HA THR 45 HA THR 45 -18.278 -11.089 -32.797 344 HB THR 45 HB THR 45 -18.262 -10.032 -35.540 345 HG1 THR 45 HG1 THR 45 -20.676 -9.853 -34.045 346 HG21 THR 45 3HG2 THR 45 -19.717 -11.865 -35.949 347 HG22 THR 45 1HG2 THR 45 -20.125 -12.013 -34.241 348 HG23 THR 45 2HG2 THR 45 -18.508 -12.440 -34.802 349 H VAL 46 H VAL 46 -16.424 -8.293 -33.365 350 HA VAL 46 HA VAL 46 -14.277 -9.679 -34.747 351 HB VAL 46 HB VAL 46 -14.436 -6.843 -33.715 352 HG11 VAL 46 1HG1 VAL 46 -12.134 -7.566 -33.801 353 HG12 VAL 46 2HG1 VAL 46 -12.358 -8.192 -35.436 354 HG13 VAL 46 3HG1 VAL 46 -12.451 -6.456 -35.134 355 HG21 VAL 46 3HG2 VAL 46 -14.272 -7.088 -36.562 356 HG22 VAL 46 1HG2 VAL 46 -15.617 -8.059 -35.963 357 HG23 VAL 46 2HG2 VAL 46 -15.532 -6.339 -35.582 358 H ILE 47 H ILE 47 -14.678 -7.950 -31.655 359 HA ILE 47 HA ILE 47 -12.395 -9.491 -30.606 360 HB ILE 47 HB ILE 47 -11.781 -7.216 -30.516 361 HG12 ILE 47 2HG1 ILE 47 -11.609 -6.757 -28.128 362 HG13 ILE 47 3HG1 ILE 47 -12.931 -7.871 -27.795 363 HG21 ILE 47 1HG2 ILE 47 -14.500 -6.648 -29.345 364 HG22 ILE 47 2HG2 ILE 47 -13.212 -5.463 -29.552 365 HG23 ILE 47 3HG2 ILE 47 -13.946 -6.223 -30.964 366 HD11 ILE 47 3HD1 ILE 47 -10.311 -8.497 -27.625 367 HD12 ILE 47 1HD1 ILE 47 -11.602 -9.667 -27.895 368 HD13 ILE 47 2HD1 ILE 47 -10.680 -9.038 -29.262 369 H LYS 48 H LYS 48 -15.625 -8.258 -29.895 370 HA LYS 48 HA LYS 48 -17.283 -9.141 -28.588 371 HB2 LYS 48 2HB LYS 48 -15.770 -11.344 -29.104 372 HB3 LYS 48 3HB LYS 48 -15.648 -11.261 -27.351 373 HG2 LYS 48 2HG LYS 48 -17.676 -12.113 -27.119 374 HG3 LYS 48 3HG LYS 48 -18.369 -10.859 -28.152 375 HD2 LYS 48 2HD LYS 48 -18.802 -13.117 -29.022 376 HD3 LYS 48 3HD LYS 48 -17.822 -12.157 -30.133 377 HE2 LYS 48 2HE LYS 48 -15.843 -13.310 -29.522 378 HE3 LYS 48 3HE LYS 48 -16.630 -14.070 -28.140 379 HZ1 LYS 48 3HZ LYS 48 -16.944 -14.684 -31.008 380 HZ2 LYS 48 1HZ LYS 48 -18.149 -15.110 -29.900 381 HZ3 LYS 48 2HZ LYS 48 -16.587 -15.733 -29.730 382 H ARG 49 H ARG 49 -14.110 -9.461 -26.992 383 HA ARG 49 HA ARG 49 -15.271 -8.222 -24.593 384 HB2 ARG 49 2HB ARG 49 -12.606 -9.620 -24.776 385 HB3 ARG 49 3HB ARG 49 -13.519 -9.220 -23.328 386 HG2 ARG 49 2HG ARG 49 -14.199 -11.341 -23.398 387 HG3 ARG 49 3HG ARG 49 -15.278 -10.804 -24.687 388 HD2 ARG 49 2HD ARG 49 -13.957 -11.690 -26.347 389 HD3 ARG 49 3HD ARG 49 -12.488 -11.590 -25.377 390 HE ARG 49 HE ARG 49 -14.239 -13.809 -25.570 391 HH11 ARG 49 1HH1 ARG 49 -12.239 -12.069 -23.313 392 HH12 ARG 49 2HH1 ARG 49 -11.957 -13.446 -22.300 393 HH21 ARG 49 1HH2 ARG 49 -13.874 -15.630 -24.245 394 HH22 ARG 49 2HH2 ARG 49 -12.887 -15.471 -22.832 395 HA PRO 50 HA PRO 50 -12.920 -4.696 -26.246 396 HB2 PRO 50 2HB PRO 50 -14.370 -2.837 -24.900 397 HB3 PRO 50 3HB PRO 50 -14.901 -3.546 -26.430 398 HG2 PRO 50 2HG PRO 50 -15.716 -4.243 -23.635 399 HG3 PRO 50 3HG PRO 50 -16.723 -4.073 -25.085 400 HD2 PRO 50 2HD PRO 50 -15.941 -6.483 -24.130 401 HD3 PRO 50 3HD PRO 50 -16.181 -6.175 -25.861 402 H VAL 51 H VAL 51 -11.619 -3.060 -25.196 403 HA VAL 51 HA VAL 51 -10.980 -3.721 -22.394 404 HB VAL 51 HB VAL 51 -9.158 -4.456 -23.775 405 HG11 VAL 51 1HG1 VAL 51 -8.004 -3.054 -25.343 406 HG12 VAL 51 2HG1 VAL 51 -9.725 -3.026 -25.732 407 HG13 VAL 51 3HG1 VAL 51 -8.988 -1.662 -24.893 408 HG21 VAL 51 3HG2 VAL 51 -8.443 -1.823 -22.486 409 HG22 VAL 51 1HG2 VAL 51 -8.585 -3.370 -21.651 410 HG23 VAL 51 2HG2 VAL 51 -7.326 -3.135 -22.864 411 H ASP 52 H ASP 52 -11.060 -2.106 -20.967 412 HA ASP 52 HA ASP 52 -10.984 0.661 -21.962 413 HB2 ASP 52 2HB ASP 52 -12.742 1.248 -20.309 414 HB3 ASP 52 3HB ASP 52 -13.314 0.135 -21.549 415 H LEU 53 H LEU 53 -10.305 2.243 -20.403 416 HA LEU 53 HA LEU 53 -8.112 1.399 -18.843 417 HB2 LEU 53 2HB LEU 53 -8.282 3.623 -19.856 418 HB3 LEU 53 3HB LEU 53 -9.615 4.013 -18.771 419 HG LEU 53 HG LEU 53 -7.997 3.709 -16.860 420 HD11 LEU 53 1HD1 LEU 53 -5.627 4.286 -18.317 421 HD12 LEU 53 2HD1 LEU 53 -6.330 2.803 -18.961 422 HD13 LEU 53 3HD1 LEU 53 -5.961 2.928 -17.242 423 HD21 LEU 53 3HD2 LEU 53 -7.312 5.922 -16.956 424 HD22 LEU 53 1HD2 LEU 53 -8.696 5.899 -18.049 425 HD23 LEU 53 2HD2 LEU 53 -7.057 5.875 -18.701 426 H SER 54 H SER 54 -11.467 2.030 -18.084 427 HA SER 54 HA SER 54 -11.200 2.162 -15.271 428 HB2 SER 54 2HB SER 54 -13.719 1.049 -16.349 429 HB3 SER 54 3HB SER 54 -13.462 2.406 -15.253 430 HG SER 54 HG SER 54 -13.735 3.643 -16.914 431 H SER 55 H SER 55 -11.679 -0.497 -17.525 432 HA SER 55 HA SER 55 -12.303 -2.515 -15.691 433 HB2 SER 55 2HB SER 55 -12.631 -3.290 -17.817 434 HB3 SER 55 3HB SER 55 -11.241 -2.418 -18.463 435 HG SER 55 HG SER 55 -10.092 -4.149 -18.205 436 H ILE 56 H ILE 56 -9.218 -1.168 -16.692 437 HA ILE 56 HA ILE 56 -7.533 -3.120 -15.575 438 HB ILE 56 HB ILE 56 -7.025 -0.172 -15.987 439 HG12 ILE 56 2HG1 ILE 56 -7.562 -1.421 -18.045 440 HG13 ILE 56 3HG1 ILE 56 -5.886 -0.882 -18.030 441 HG21 ILE 56 1HG2 ILE 56 -4.627 -1.622 -16.111 442 HG22 ILE 56 2HG2 ILE 56 -5.121 -0.457 -14.884 443 HG23 ILE 56 3HG2 ILE 56 -5.460 -2.172 -14.657 444 HD11 ILE 56 3HD1 ILE 56 -5.986 -3.470 -16.881 445 HD12 ILE 56 1HD1 ILE 56 -6.900 -3.495 -18.389 446 HD13 ILE 56 2HD1 ILE 56 -5.221 -2.955 -18.385 447 H ARG 57 H ARG 57 -8.774 -0.074 -14.227 448 HA ARG 57 HA ARG 57 -7.467 -0.160 -11.771 449 HB2 ARG 57 2HB ARG 57 -8.722 1.794 -12.620 450 HB3 ARG 57 3HB ARG 57 -10.229 0.929 -12.346 451 HG2 ARG 57 2HG ARG 57 -8.395 1.210 -10.040 452 HG3 ARG 57 3HG ARG 57 -9.227 2.662 -10.601 453 HD2 ARG 57 2HD ARG 57 -11.001 0.371 -10.444 454 HD3 ARG 57 3HD ARG 57 -10.240 0.730 -8.894 455 HE ARG 57 HE ARG 57 -11.177 3.129 -9.958 456 HH11 ARG 57 1HH1 ARG 57 -12.444 0.113 -8.767 457 HH12 ARG 57 2HH1 ARG 57 -13.938 0.805 -8.226 458 HH21 ARG 57 1HH2 ARG 57 -13.139 4.051 -9.250 459 HH22 ARG 57 2HH2 ARG 57 -14.332 3.045 -8.502 460 H ASP 58 H ASP 58 -10.497 -1.654 -12.794 461 HA ASP 58 HA ASP 58 -11.186 -2.639 -10.207 462 HB2 ASP 58 2HB ASP 58 -12.831 -2.261 -12.048 463 HB3 ASP 58 3HB ASP 58 -12.133 -3.635 -12.901 464 H GLY 59 H GLY 59 -9.530 -3.993 -13.020 465 HA2 GLY 59 2HA GLY 59 -9.370 -6.655 -12.149 466 HA3 GLY 59 3HA GLY 59 -8.255 -5.885 -13.268 467 H ILE 60 H ILE 60 -7.244 -3.899 -11.524 468 HA ILE 60 HA ILE 60 -5.208 -5.376 -10.226 469 HB ILE 60 HB ILE 60 -5.944 -2.458 -9.969 470 HG12 ILE 60 2HG1 ILE 60 -5.279 -3.196 -12.241 471 HG13 ILE 60 3HG1 ILE 60 -4.120 -2.076 -11.533 472 HG21 ILE 60 1HG2 ILE 60 -4.509 -2.364 -8.277 473 HG22 ILE 60 2HG2 ILE 60 -4.086 -4.064 -8.479 474 HG23 ILE 60 3HG2 ILE 60 -3.230 -2.827 -9.399 475 HD11 ILE 60 3HD1 ILE 60 -3.313 -4.704 -10.857 476 HD12 ILE 60 1HD1 ILE 60 -3.670 -4.664 -12.583 477 HD13 ILE 60 2HD1 ILE 60 -2.504 -3.532 -11.897 478 H GLU 61 H GLU 61 -7.986 -3.538 -8.989 479 HA GLU 61 HA GLU 61 -7.442 -4.009 -6.254 480 HB2 GLU 61 2HB GLU 61 -9.910 -3.184 -7.762 481 HB3 GLU 61 3HB GLU 61 -9.952 -3.461 -6.027 482 HG2 GLU 61 2HG GLU 61 -7.756 -1.739 -6.802 483 HG3 GLU 61 3HG GLU 61 -9.319 -1.100 -7.306 484 H LYS 62 H LYS 62 -8.920 -5.912 -8.727 485 HA LYS 62 HA LYS 62 -10.337 -7.682 -6.972 486 HB2 LYS 62 2HB LYS 62 -9.600 -7.809 -9.892 487 HB3 LYS 62 3HB LYS 62 -10.434 -9.127 -9.079 488 HG2 LYS 62 2HG LYS 62 -11.549 -6.370 -8.903 489 HG3 LYS 62 3HG LYS 62 -11.774 -7.308 -10.381 490 HD2 LYS 62 2HD LYS 62 -13.049 -8.924 -9.312 491 HD3 LYS 62 3HD LYS 62 -12.403 -8.524 -7.719 492 HE2 LYS 62 2HE LYS 62 -13.698 -6.548 -7.590 493 HE3 LYS 62 3HE LYS 62 -14.118 -6.625 -9.300 494 HZ1 LYS 62 3HZ LYS 62 -15.230 -8.112 -7.045 495 HZ2 LYS 62 1HZ LYS 62 -15.130 -8.916 -8.531 496 HZ3 LYS 62 2HZ LYS 62 -16.005 -7.474 -8.407 497 H GLY 63 H GLY 63 -7.113 -7.225 -7.487 498 HA2 GLY 63 2HA GLY 63 -5.438 -8.493 -6.405 499 HA3 GLY 63 3HA GLY 63 -6.507 -9.888 -6.438 500 H THR 64 H THR 64 -5.976 -7.935 -9.275 501 HA THR 64 HA THR 64 -4.900 -8.327 -11.248 502 HB THR 64 HB THR 64 -3.322 -10.520 -9.913 503 HG1 THR 64 HG1 THR 64 -1.805 -8.598 -9.622 504 HG21 THR 64 3HG2 THR 64 -1.798 -8.880 -11.650 505 HG22 THR 64 1HG2 THR 64 -3.296 -9.285 -12.485 506 HG23 THR 64 2HG2 THR 64 -2.256 -10.569 -11.867 507 H TYR 65 H TYR 65 -7.308 -9.367 -11.171 508 HA TYR 65 HA TYR 65 -8.659 -10.864 -12.229 509 HB2 TYR 65 2HB TYR 65 -6.097 -11.222 -13.481 510 HB3 TYR 65 3HB TYR 65 -6.900 -12.781 -13.331 511 HD1 TYR 65 HD2 TYR 65 -9.379 -12.867 -14.138 512 HD2 TYR 65 HD1 TYR 65 -6.614 -9.839 -15.272 513 HE1 TYR 65 HE2 TYR 65 -10.762 -12.349 -16.104 514 HE2 TYR 65 HE1 TYR 65 -7.990 -9.311 -17.241 515 HH TYR 65 HH TYR 65 -11.157 -10.477 -17.635 516 H ALA 66 H ALA 66 -5.960 -13.065 -11.560 517 HA ALA 66 HA ALA 66 -7.063 -14.126 -9.168 518 HB1 ALA 66 1HB ALA 66 -7.317 -16.460 -10.548 519 HB2 ALA 66 2HB ALA 66 -8.654 -15.404 -10.094 520 HB3 ALA 66 3HB ALA 66 -7.948 -15.288 -11.706 521 H THR 67 H THR 67 -5.103 -14.858 -12.033 522 HA THR 67 HA THR 67 -2.765 -15.283 -10.441 523 HB THR 67 HB THR 67 -2.891 -17.716 -11.897 524 HG1 THR 67 HG1 THR 67 -5.027 -17.969 -11.820 525 HG21 THR 67 3HG2 THR 67 -3.005 -18.561 -9.395 526 HG22 THR 67 1HG2 THR 67 -2.692 -16.860 -9.051 527 HG23 THR 67 2HG2 THR 67 -1.556 -17.785 -10.033 528 H ASP 68 H ASP 68 -1.062 -16.494 -12.041 529 HA ASP 68 HA ASP 68 -0.547 -14.648 -14.085 530 HB2 ASP 68 2HB ASP 68 1.356 -15.916 -14.579 531 HB3 ASP 68 3HB ASP 68 1.066 -16.268 -12.877 532 H VAL 69 H VAL 69 -2.468 -17.513 -14.036 533 HA VAL 69 HA VAL 69 -2.457 -18.045 -16.832 534 HB VAL 69 HB VAL 69 -4.465 -18.814 -14.710 535 HG11 VAL 69 1HG1 VAL 69 -5.511 -18.871 -16.892 536 HG12 VAL 69 2HG1 VAL 69 -4.160 -19.799 -17.545 537 HG13 VAL 69 3HG1 VAL 69 -5.217 -20.515 -16.328 538 HG21 VAL 69 3HG2 VAL 69 -2.014 -20.132 -15.826 539 HG22 VAL 69 1HG2 VAL 69 -2.467 -19.870 -14.142 540 HG23 VAL 69 2HG2 VAL 69 -3.312 -21.083 -15.104 541 H ASP 70 H ASP 70 -4.826 -16.458 -14.696 542 HA ASP 70 HA ASP 70 -6.602 -15.716 -16.761 543 HB2 ASP 70 2HB ASP 70 -6.210 -14.908 -13.911 544 HB3 ASP 70 3HB ASP 70 -7.250 -13.920 -14.932 545 H VAL 71 H VAL 71 -3.894 -14.047 -15.225 546 HA VAL 71 HA VAL 71 -4.276 -11.555 -16.509 547 HB VAL 71 HB VAL 71 -1.766 -12.776 -15.355 548 HG11 VAL 71 1HG1 VAL 71 -0.804 -11.132 -16.584 549 HG12 VAL 71 2HG1 VAL 71 -2.288 -10.182 -16.680 550 HG13 VAL 71 3HG1 VAL 71 -1.311 -10.146 -15.212 551 HG21 VAL 71 3HG2 VAL 71 -2.356 -11.939 -13.336 552 HG22 VAL 71 1HG2 VAL 71 -3.172 -10.539 -14.034 553 HG23 VAL 71 2HG2 VAL 71 -3.983 -12.105 -13.998 554 H GLN 72 H GLN 72 -2.330 -14.400 -17.314 555 HA GLN 72 HA GLN 72 -1.000 -13.307 -19.537 556 HB2 GLN 72 2HB GLN 72 -0.173 -15.332 -18.574 557 HB3 GLN 72 3HB GLN 72 -1.710 -16.150 -18.819 558 HG2 GLN 72 2HG GLN 72 -0.596 -15.142 -21.298 559 HG3 GLN 72 3HG GLN 72 0.493 -16.256 -20.472 560 HE21 GLN 72 1HE2 GLN 72 -1.020 -16.566 -22.963 561 HE22 GLN 72 2HE2 GLN 72 -1.988 -17.981 -22.753 562 H ASN 73 H ASN 73 -3.989 -15.220 -19.322 563 HA ASN 73 HA ASN 73 -4.530 -15.291 -22.079 564 HB2 ASN 73 2HB ASN 73 -5.779 -16.187 -19.697 565 HB3 ASN 73 3HB ASN 73 -6.976 -15.248 -20.583 566 HD21 ASN 73 1HD2 ASN 73 -6.880 -18.103 -20.061 567 HD22 ASN 73 2HD2 ASN 73 -6.893 -18.877 -21.606 568 H ASP 74 H ASP 74 -5.594 -13.049 -19.544 569 HA ASP 74 HA ASP 74 -7.301 -11.477 -21.095 570 HB2 ASP 74 2HB ASP 74 -7.431 -11.105 -18.788 571 HB3 ASP 74 3HB ASP 74 -5.685 -10.940 -18.621 572 H VAL 75 H VAL 75 -3.847 -11.004 -20.372 573 HA VAL 75 HA VAL 75 -3.475 -8.666 -21.850 574 HB VAL 75 HB VAL 75 -1.485 -10.879 -21.327 575 HG11 VAL 75 1HG1 VAL 75 -1.104 -8.041 -22.263 576 HG12 VAL 75 2HG1 VAL 75 0.198 -9.057 -21.642 577 HG13 VAL 75 3HG1 VAL 75 -0.660 -9.522 -23.111 578 HG21 VAL 75 3HG2 VAL 75 -1.256 -10.102 -19.247 579 HG22 VAL 75 1HG2 VAL 75 -1.223 -8.426 -19.795 580 HG23 VAL 75 2HG2 VAL 75 -2.766 -9.232 -19.515 581 H ALA 76 H ALA 76 -3.129 -12.059 -22.831 582 HA ALA 76 HA ALA 76 -2.175 -11.655 -25.415 583 HB1 ALA 76 1HB ALA 76 -3.621 -13.889 -25.760 584 HB2 ALA 76 2HB ALA 76 -2.064 -13.859 -24.932 585 HB3 ALA 76 3HB ALA 76 -3.560 -13.843 -23.998 586 H ARG 77 H ARG 77 -5.508 -11.763 -24.217 587 HA ARG 77 HA ARG 77 -6.750 -11.549 -26.749 588 HB2 ARG 77 2HB ARG 77 -7.651 -11.068 -23.927 589 HB3 ARG 77 3HB ARG 77 -8.697 -10.647 -25.277 590 HG2 ARG 77 2HG ARG 77 -7.672 -13.299 -25.632 591 HG3 ARG 77 3HG ARG 77 -8.411 -13.140 -24.038 592 HD2 ARG 77 2HD ARG 77 -10.275 -13.659 -25.230 593 HD3 ARG 77 3HD ARG 77 -10.288 -11.912 -25.462 594 HE ARG 77 HE ARG 77 -9.810 -12.230 -27.683 595 HH11 ARG 77 1HH1 ARG 77 -9.295 -15.203 -25.947 596 HH12 ARG 77 2HH1 ARG 77 -9.080 -16.155 -27.379 597 HH21 ARG 77 1HH2 ARG 77 -9.528 -13.472 -29.576 598 HH22 ARG 77 2HH2 ARG 77 -9.212 -15.169 -29.442 599 H MET 78 H MET 78 -5.647 -9.170 -24.396 600 HA MET 78 HA MET 78 -6.835 -6.900 -25.556 601 HB2 MET 78 2HB MET 78 -4.227 -7.003 -24.033 602 HB3 MET 78 3HB MET 78 -5.273 -5.605 -24.239 603 HG2 MET 78 2HG MET 78 -6.895 -7.577 -23.119 604 HG3 MET 78 3HG MET 78 -5.360 -7.686 -22.261 605 HE1 MET 78 3HE MET 78 -5.053 -5.257 -19.972 606 HE2 MET 78 1HE MET 78 -6.521 -6.144 -19.559 607 HE3 MET 78 2HE MET 78 -5.194 -6.968 -20.378 608 H ILE 79 H ILE 79 -3.624 -8.349 -26.012 609 HA ILE 79 HA ILE 79 -2.714 -6.419 -27.876 610 HB ILE 79 HB ILE 79 -1.789 -9.276 -27.546 611 HG12 ILE 79 2HG1 ILE 79 -1.586 -8.141 -25.435 612 HG13 ILE 79 3HG1 ILE 79 0.017 -8.225 -26.158 613 HG21 ILE 79 1HG2 ILE 79 -0.863 -8.604 -29.551 614 HG22 ILE 79 2HG2 ILE 79 -0.724 -6.921 -29.043 615 HG23 ILE 79 3HG2 ILE 79 0.385 -8.131 -28.399 616 HD11 ILE 79 3HD1 ILE 79 -1.801 -5.829 -26.137 617 HD12 ILE 79 1HD1 ILE 79 -0.356 -6.061 -25.153 618 HD13 ILE 79 2HD1 ILE 79 -0.215 -5.904 -26.904 619 H THR 80 H THR 80 -4.362 -9.519 -28.210 620 HA THR 80 HA THR 80 -4.119 -9.795 -30.996 621 HB THR 80 HB THR 80 -6.358 -10.787 -29.220 622 HG1 THR 80 HG1 THR 80 -5.027 -12.761 -29.365 623 HG21 THR 80 3HG2 THR 80 -7.014 -10.903 -31.535 624 HG22 THR 80 1HG2 THR 80 -6.602 -12.527 -30.985 625 HG23 THR 80 2HG2 THR 80 -5.465 -11.618 -31.981 626 H ASN 81 H ASN 81 -6.679 -8.326 -29.017 627 HA ASN 81 HA ASN 81 -8.300 -7.587 -31.235 628 HB2 ASN 81 2HB ASN 81 -9.781 -6.854 -29.678 629 HB3 ASN 81 3HB ASN 81 -8.743 -7.748 -28.570 630 HD21 ASN 81 1HD2 ASN 81 -9.577 -4.593 -29.802 631 HD22 ASN 81 2HD2 ASN 81 -8.872 -3.687 -28.511 632 H ALA 82 H ALA 82 -5.756 -5.995 -29.410 633 HA ALA 82 HA ALA 82 -6.123 -3.383 -30.382 634 HB1 ALA 82 1HB ALA 82 -3.629 -4.768 -29.410 635 HB2 ALA 82 2HB ALA 82 -3.757 -3.036 -29.719 636 HB3 ALA 82 3HB ALA 82 -4.740 -3.782 -28.459 637 H LEU 83 H LEU 83 -4.115 -6.059 -31.568 638 HA LEU 83 HA LEU 83 -3.126 -4.542 -33.800 639 HB2 LEU 83 2HB LEU 83 -1.630 -6.157 -33.081 640 HB3 LEU 83 3HB LEU 83 -2.888 -7.374 -32.877 641 HG LEU 83 HG LEU 83 -2.318 -6.446 -35.639 642 HD11 LEU 83 1HD1 LEU 83 -0.326 -7.551 -35.908 643 HD12 LEU 83 2HD1 LEU 83 -0.574 -8.574 -34.493 644 HD13 LEU 83 3HD1 LEU 83 -0.119 -6.882 -34.289 645 HD21 LEU 83 3HD2 LEU 83 -3.514 -8.252 -36.128 646 HD22 LEU 83 1HD2 LEU 83 -3.792 -8.483 -34.401 647 HD23 LEU 83 2HD2 LEU 83 -2.431 -9.281 -35.189 648 H GLU 84 H GLU 84 -5.785 -6.700 -33.187 649 HA GLU 84 HA GLU 84 -6.380 -7.276 -35.917 650 HB2 GLU 84 2HB GLU 84 -7.211 -8.823 -34.341 651 HB3 GLU 84 3HB GLU 84 -7.919 -7.557 -33.347 652 HG2 GLU 84 2HG GLU 84 -9.589 -7.122 -35.058 653 HG3 GLU 84 3HG GLU 84 -8.867 -8.357 -36.089 654 H TYR 85 H TYR 85 -7.811 -5.065 -33.523 655 HA TYR 85 HA TYR 85 -9.630 -3.897 -35.377 656 HB2 TYR 85 2HB TYR 85 -10.228 -3.788 -33.081 657 HB3 TYR 85 3HB TYR 85 -8.678 -3.084 -32.633 658 HD1 TYR 85 HD2 TYR 85 -11.564 -2.313 -34.887 659 HD2 TYR 85 HD1 TYR 85 -8.653 -0.830 -32.161 660 HE1 TYR 85 HE2 TYR 85 -12.536 -0.062 -35.082 661 HE2 TYR 85 HE1 TYR 85 -9.618 1.424 -32.348 662 HH TYR 85 HH TYR 85 -12.153 2.152 -34.664 663 H ASN 86 H ASN 86 -6.311 -3.414 -34.669 664 HA ASN 86 HA ASN 86 -6.307 -0.805 -36.016 665 HB2 ASN 86 2HB ASN 86 -5.180 -1.055 -33.771 666 HB3 ASN 86 3HB ASN 86 -4.011 -2.116 -34.552 667 HD21 ASN 86 1HD2 ASN 86 -5.359 1.134 -34.594 668 HD22 ASN 86 2HD2 ASN 86 -3.954 1.904 -35.241 669 H ALA 87 H ALA 87 -6.090 -3.941 -36.831 670 HA ALA 87 HA ALA 87 -3.769 -4.042 -38.456 671 HB1 ALA 87 1HB ALA 87 -5.840 -5.809 -37.710 672 HB2 ALA 87 2HB ALA 87 -5.791 -5.777 -39.473 673 HB3 ALA 87 3HB ALA 87 -4.339 -6.182 -38.558 674 H LYS 88 H LYS 88 -3.617 -2.309 -39.831 675 HA LYS 88 HA LYS 88 -5.752 -2.038 -41.845 676 HB2 LYS 88 2HB LYS 88 -4.315 -0.075 -40.272 677 HB3 LYS 88 3HB LYS 88 -4.131 0.237 -41.993 678 HG2 LYS 88 2HG LYS 88 -6.060 1.338 -41.799 679 HG3 LYS 88 3HG LYS 88 -6.803 -0.263 -41.803 680 HD2 LYS 88 2HD LYS 88 -6.302 -0.143 -39.224 681 HD3 LYS 88 3HD LYS 88 -6.294 1.596 -39.527 682 HE2 LYS 88 2HE LYS 88 -8.541 0.582 -40.867 683 HE3 LYS 88 3HE LYS 88 -8.520 -0.206 -39.290 684 HZ1 LYS 88 3HZ LYS 88 -8.221 2.081 -38.333 685 HZ2 LYS 88 1HZ LYS 88 -9.731 1.780 -39.034 686 HZ3 LYS 88 2HZ LYS 88 -8.580 2.699 -39.866 687 H GLY 89 H GLY 89 -2.251 -1.397 -41.518 688 HA2 GLY 89 2HA GLY 89 -0.961 -3.000 -43.086 689 HA3 GLY 89 3HA GLY 89 -1.929 -2.214 -44.325 690 H SER 90 H SER 90 -0.482 -0.706 -41.477 691 HA SER 90 HA SER 90 1.384 0.728 -43.239 692 HB2 SER 90 2HB SER 90 0.080 2.168 -40.956 693 HB3 SER 90 3HB SER 90 0.791 2.825 -42.429 694 HG SER 90 HG SER 90 -1.565 2.829 -42.326 695 H THR 91 H THR 91 2.653 2.294 -41.418 696 HA THR 91 HA THR 91 4.500 0.576 -40.243 697 HB THR 91 HB THR 91 4.090 3.278 -39.041 698 HG1 THR 91 HG1 THR 91 4.530 4.304 -40.871 699 HG21 THR 91 3HG2 THR 91 6.694 2.553 -40.134 700 HG22 THR 91 1HG2 THR 91 6.095 1.388 -38.954 701 HG23 THR 91 2HG2 THR 91 6.259 3.087 -38.511 702 H TRP 92 H TRP 92 1.491 1.824 -39.024 703 HA TRP 92 HA TRP 92 1.941 1.366 -36.271 704 HB2 TRP 92 2HB TRP 92 -0.284 2.129 -37.974 705 HB3 TRP 92 3HB TRP 92 -0.797 1.028 -36.698 706 HD1 TRP 92 HD1 TRP 92 -1.769 2.416 -34.789 707 HE1 TRP 92 HE1 TRP 92 -1.123 4.585 -33.563 708 HE3 TRP 92 HE3 TRP 92 2.329 3.721 -37.552 709 HZ2 TRP 92 HZ2 TRP 92 0.861 6.585 -33.743 710 HZ3 TRP 92 HZ3 TRP 92 3.545 5.777 -36.960 711 HH2 TRP 92 HH2 TRP 92 2.824 7.178 -35.095 712 H TYR 93 H TYR 93 0.795 -0.676 -38.889 713 HA TYR 93 HA TYR 93 -0.142 -2.817 -37.304 714 HB2 TYR 93 2HB TYR 93 -0.801 -2.652 -39.619 715 HB3 TYR 93 3HB TYR 93 0.874 -2.748 -40.151 716 HD1 TYR 93 HD2 TYR 93 -1.328 -4.765 -37.891 717 HD2 TYR 93 HD1 TYR 93 1.386 -4.745 -41.167 718 HE1 TYR 93 HE2 TYR 93 -1.530 -7.210 -38.066 719 HE2 TYR 93 HE1 TYR 93 1.191 -7.190 -41.352 720 HH TYR 93 HH TYR 93 -1.220 -8.956 -39.886 721 H GLN 94 H GLN 94 2.962 -2.311 -38.971 722 HA GLN 94 HA GLN 94 4.164 -4.699 -38.079 723 HB2 GLN 94 2HB GLN 94 4.931 -2.382 -39.600 724 HB3 GLN 94 3HB GLN 94 6.198 -2.780 -38.447 725 HG2 GLN 94 2HG GLN 94 5.848 -5.206 -39.361 726 HG3 GLN 94 3HG GLN 94 5.162 -4.358 -40.746 727 HE21 GLN 94 1HE2 GLN 94 6.671 -4.567 -42.266 728 HE22 GLN 94 2HE2 GLN 94 8.323 -4.088 -42.104 729 H GLU 95 H GLU 95 4.107 -1.425 -36.754 730 HA GLU 95 HA GLU 95 5.983 -1.810 -34.702 731 HB2 GLU 95 2HB GLU 95 5.327 0.417 -35.267 732 HB3 GLU 95 3HB GLU 95 3.635 0.067 -34.946 733 HG2 GLU 95 2HG GLU 95 4.911 1.423 -33.214 734 HG3 GLU 95 3HG GLU 95 3.944 0.066 -32.638 735 H ALA 96 H ALA 96 2.451 -2.170 -34.716 736 HA ALA 96 HA ALA 96 2.198 -2.883 -31.998 737 HB1 ALA 96 1HB ALA 96 0.052 -4.078 -33.111 738 HB2 ALA 96 2HB ALA 96 0.143 -2.352 -32.756 739 HB3 ALA 96 3HB ALA 96 0.477 -2.936 -34.387 740 H MET 97 H MET 97 2.557 -4.830 -34.940 741 HA MET 97 HA MET 97 2.315 -7.343 -33.657 742 HB2 MET 97 2HB MET 97 2.204 -6.686 -36.194 743 HB3 MET 97 3HB MET 97 3.937 -6.982 -36.148 744 HG2 MET 97 2HG MET 97 3.692 -9.221 -35.879 745 HG3 MET 97 3HG MET 97 2.173 -9.062 -35.001 746 HE1 MET 97 3HE MET 97 3.506 -9.702 -38.935 747 HE2 MET 97 1HE MET 97 3.670 -10.608 -37.431 748 HE3 MET 97 2HE MET 97 2.417 -11.047 -38.592 749 H SER 98 H SER 98 5.043 -5.232 -34.348 750 HA SER 98 HA SER 98 7.079 -7.081 -33.670 751 HB2 SER 98 2HB SER 98 6.964 -4.093 -33.946 752 HB3 SER 98 3HB SER 98 8.409 -4.868 -33.299 753 HG SER 98 HG SER 98 8.816 -4.902 -35.404 754 H PHE 99 H PHE 99 5.366 -4.593 -31.824 755 HA PHE 99 HA PHE 99 6.858 -4.940 -29.435 756 HB2 PHE 99 2HB PHE 99 4.779 -3.243 -30.352 757 HB3 PHE 99 3HB PHE 99 4.207 -4.007 -28.872 758 HD1 PHE 99 HD2 PHE 99 7.463 -2.620 -30.069 759 HD2 PHE 99 HD1 PHE 99 4.497 -2.705 -27.017 760 HE1 PHE 99 HE2 PHE 99 8.787 -1.027 -28.742 761 HE2 PHE 99 HE1 PHE 99 5.816 -1.112 -25.685 762 HZ PHE 99 HZ PHE 99 7.965 -0.271 -26.546 763 H ARG 100 H ARG 100 3.859 -6.333 -30.661 764 HA ARG 100 HA ARG 100 2.961 -7.614 -28.365 765 HB2 ARG 100 2HB ARG 100 1.508 -7.576 -30.227 766 HB3 ARG 100 3HB ARG 100 2.712 -8.301 -31.284 767 HG2 ARG 100 2HG ARG 100 1.839 -9.901 -28.956 768 HG3 ARG 100 3HG ARG 100 0.673 -9.669 -30.261 769 HD2 ARG 100 2HD ARG 100 2.650 -10.356 -31.797 770 HD3 ARG 100 3HD ARG 100 3.340 -11.024 -30.319 771 HE ARG 100 HE ARG 100 1.795 -12.715 -30.399 772 HH11 ARG 100 1HH1 ARG 100 0.833 -10.173 -32.575 773 HH12 ARG 100 2HH1 ARG 100 -0.451 -11.092 -33.289 774 HH21 ARG 100 1HH2 ARG 100 0.108 -13.934 -31.331 775 HH22 ARG 100 2HH2 ARG 100 -0.863 -13.231 -32.579 776 H LYS 101 H LYS 101 5.634 -8.358 -30.427 777 HA LYS 101 HA LYS 101 5.935 -11.095 -29.752 778 HB2 LYS 101 2HB LYS 101 7.294 -9.167 -31.362 779 HB3 LYS 101 3HB LYS 101 8.477 -9.951 -30.322 780 HG2 LYS 101 2HG LYS 101 8.526 -11.394 -32.066 781 HG3 LYS 101 3HG LYS 101 7.206 -12.125 -31.151 782 HD2 LYS 101 2HD LYS 101 5.583 -10.911 -32.526 783 HD3 LYS 101 3HD LYS 101 6.904 -10.177 -33.438 784 HE2 LYS 101 2HE LYS 101 7.377 -12.940 -33.483 785 HE3 LYS 101 3HE LYS 101 5.650 -12.744 -33.777 786 HZ1 LYS 101 3HZ LYS 101 7.038 -12.711 -35.812 787 HZ2 LYS 101 1HZ LYS 101 7.756 -11.279 -35.267 788 HZ3 LYS 101 2HZ LYS 101 6.101 -11.317 -35.612 789 H THR 102 H THR 102 6.702 -8.155 -28.123 790 HA THR 102 HA THR 102 8.226 -9.663 -26.100 791 HB THR 102 HB THR 102 9.561 -7.894 -27.170 792 HG1 THR 102 HG1 THR 102 10.425 -7.660 -25.260 793 HG21 THR 102 3HG2 THR 102 7.905 -6.304 -27.816 794 HG22 THR 102 1HG2 THR 102 8.950 -5.509 -26.639 795 HG23 THR 102 2HG2 THR 102 7.362 -6.100 -26.151 796 H TYR 103 H TYR 103 5.317 -8.131 -26.735 797 HA TYR 103 HA TYR 103 4.758 -6.927 -24.236 798 HB2 TYR 103 2HB TYR 103 3.526 -6.796 -26.576 799 HB3 TYR 103 3HB TYR 103 2.566 -8.102 -25.891 800 HD1 TYR 103 HD2 TYR 103 2.061 -7.478 -23.200 801 HD2 TYR 103 HD1 TYR 103 2.441 -4.772 -26.462 802 HE1 TYR 103 HE2 TYR 103 0.686 -5.836 -21.991 803 HE2 TYR 103 HE1 TYR 103 1.068 -3.122 -25.261 804 HH TYR 103 HH TYR 103 0.547 -2.672 -22.706 805 H LEU 104 H LEU 104 3.752 -10.067 -25.592 806 HA LEU 104 HA LEU 104 2.583 -10.968 -23.158 807 HB2 LEU 104 2HB LEU 104 2.642 -13.211 -24.316 808 HB3 LEU 104 3HB LEU 104 1.745 -11.929 -25.128 809 HG LEU 104 HG LEU 104 4.357 -11.854 -26.175 810 HD11 LEU 104 1HD1 LEU 104 4.327 -14.235 -27.148 811 HD12 LEU 104 2HD1 LEU 104 3.323 -14.633 -25.754 812 HD13 LEU 104 3HD1 LEU 104 4.953 -14.001 -25.516 813 HD21 LEU 104 3HD2 LEU 104 1.906 -13.077 -27.426 814 HD22 LEU 104 1HD2 LEU 104 3.263 -12.296 -28.239 815 HD23 LEU 104 2HD2 LEU 104 2.154 -11.338 -27.258 816 H ASP 105 H ASP 105 5.674 -11.602 -24.776 817 HA ASP 105 HA ASP 105 6.689 -13.519 -23.039 818 HB2 ASP 105 2HB ASP 105 7.626 -12.282 -25.265 819 HB3 ASP 105 3HB ASP 105 8.635 -11.530 -24.032 820 H LEU 106 H LEU 106 7.046 -9.982 -22.892 821 HA LEU 106 HA LEU 106 8.530 -9.976 -20.479 822 HB2 LEU 106 2HB LEU 106 6.922 -7.860 -21.886 823 HB3 LEU 106 3HB LEU 106 7.816 -7.549 -20.399 824 HG LEU 106 HG LEU 106 9.023 -8.427 -23.022 825 HD11 LEU 106 1HD1 LEU 106 8.582 -5.774 -21.754 826 HD12 LEU 106 2HD1 LEU 106 8.515 -6.242 -23.453 827 HD13 LEU 106 3HD1 LEU 106 10.075 -6.042 -22.655 828 HD21 LEU 106 3HD2 LEU 106 10.521 -9.231 -21.481 829 HD22 LEU 106 1HD2 LEU 106 10.120 -7.999 -20.284 830 HD23 LEU 106 2HD2 LEU 106 11.113 -7.581 -21.681 831 H ALA 107 H ALA 107 5.167 -10.243 -21.185 832 HA ALA 107 HA ALA 107 4.485 -9.778 -18.360 833 HB1 ALA 107 1HB ALA 107 2.386 -10.096 -20.445 834 HB2 ALA 107 2HB ALA 107 2.389 -9.105 -18.985 835 HB3 ALA 107 3HB ALA 107 3.313 -8.596 -20.399 836 H ARG 108 H ARG 108 5.653 -12.031 -18.321 837 HA ARG 108 HA ARG 108 3.758 -13.950 -17.601 838 HB2 ARG 108 2HB ARG 108 4.170 -13.861 -20.393 839 HB3 ARG 108 3HB ARG 108 4.999 -15.299 -19.815 840 HG2 ARG 108 2HG ARG 108 2.100 -14.604 -19.405 841 HG3 ARG 108 3HG ARG 108 2.753 -15.864 -20.454 842 HD2 ARG 108 2HD ARG 108 3.741 -16.927 -18.414 843 HD3 ARG 108 3HD ARG 108 2.858 -15.748 -17.445 844 HE ARG 108 HE ARG 108 0.919 -16.913 -17.839 845 HH11 ARG 108 1HH1 ARG 108 3.417 -18.047 -19.982 846 HH12 ARG 108 2HH1 ARG 108 2.500 -19.404 -20.545 847 HH21 ARG 108 1HH2 ARG 108 -0.299 -18.696 -18.572 848 HH22 ARG 108 2HH2 ARG 108 0.385 -19.772 -19.743 849 H GLN 109 H GLN 109 6.946 -13.856 -19.202 850 HA GLN 109 HA GLN 109 8.032 -15.923 -17.574 851 HB2 GLN 109 2HB GLN 109 8.938 -15.523 -19.780 852 HB3 GLN 109 3HB GLN 109 9.362 -13.872 -19.349 853 HG2 GLN 109 2HG GLN 109 10.975 -14.714 -17.718 854 HG3 GLN 109 3HG GLN 109 10.555 -16.367 -18.163 855 HE21 GLN 109 1HE2 GLN 109 12.077 -17.238 -19.356 856 HE22 GLN 109 2HE2 GLN 109 12.975 -16.452 -20.605 857 H SER 110 H SER 110 7.924 -12.434 -17.369 858 HA SER 110 HA SER 110 9.922 -12.131 -15.379 859 HB2 SER 110 2HB SER 110 9.299 -10.205 -16.662 860 HB3 SER 110 3HB SER 110 7.604 -10.374 -16.205 861 HG SER 110 HG SER 110 8.955 -8.762 -15.036 862 H GLY 111 H GLY 111 6.579 -13.047 -15.292 863 HA2 GLY 111 2HA GLY 111 6.318 -12.561 -12.440 864 HA3 GLY 111 3HA GLY 111 5.095 -13.245 -13.500 Start of MODEL 19 1 H1 MET 1 H MET 1 -1.713 4.026 -5.258 2 HA MET 1 HA MET 1 0.364 4.007 -6.266 3 HB2 MET 1 2HB MET 1 0.458 4.482 -3.496 4 HB3 MET 1 3HB MET 1 1.837 3.450 -3.850 5 HG2 MET 1 2HG MET 1 2.721 5.553 -4.118 6 HG3 MET 1 3HG MET 1 2.287 5.121 -5.770 7 HE1 MET 1 3HE MET 1 0.500 7.938 -6.979 8 HE2 MET 1 1HE MET 1 1.415 6.445 -7.191 9 HE3 MET 1 2HE MET 1 -0.325 6.380 -6.910 10 H SER 2 H SER 2 0.675 1.557 -3.688 11 HA SER 2 HA SER 2 1.692 -0.314 -5.723 12 HB2 SER 2 2HB SER 2 2.763 -0.884 -3.101 13 HB3 SER 2 3HB SER 2 3.621 -0.580 -4.611 14 HG SER 2 HG SER 2 2.539 1.479 -2.993 15 H LYS 3 H LYS 3 1.943 -2.569 -4.243 16 HA LYS 3 HA LYS 3 -0.330 -3.086 -2.592 17 HB2 LYS 3 2HB LYS 3 -1.416 -4.712 -4.121 18 HB3 LYS 3 3HB LYS 3 -1.517 -3.053 -4.696 19 HG2 LYS 3 2HG LYS 3 0.835 -4.164 -5.787 20 HG3 LYS 3 3HG LYS 3 -0.456 -5.346 -6.008 21 HD2 LYS 3 2HD LYS 3 -0.954 -4.135 -7.835 22 HD3 LYS 3 3HD LYS 3 -1.720 -3.033 -6.688 23 HE2 LYS 3 2HE LYS 3 -0.312 -1.736 -8.112 24 HE3 LYS 3 3HE LYS 3 0.458 -1.817 -6.528 25 HZ1 LYS 3 3HZ LYS 3 1.444 -3.970 -7.912 26 HZ2 LYS 3 1HZ LYS 3 2.258 -2.522 -7.587 27 HZ3 LYS 3 2HZ LYS 3 1.428 -2.717 -9.048 28 H ASN 4 H ASN 4 -0.596 -5.685 -2.548 29 HA ASN 4 HA ASN 4 1.688 -6.677 -1.329 30 HB2 ASN 4 2HB ASN 4 -0.833 -7.872 -2.356 31 HB3 ASN 4 3HB ASN 4 0.494 -8.978 -2.016 32 HD21 ASN 4 1HD2 ASN 4 1.594 -8.478 0.160 33 HD22 ASN 4 2HD2 ASN 4 0.520 -8.236 1.491 34 H GLU 5 H GLU 5 3.457 -7.781 -1.985 35 HA GLU 5 HA GLU 5 4.383 -7.559 -4.600 36 HB2 GLU 5 2HB GLU 5 6.122 -9.214 -3.916 37 HB3 GLU 5 3HB GLU 5 5.935 -7.872 -2.795 38 HG2 GLU 5 2HG GLU 5 4.373 -9.443 -1.497 39 HG3 GLU 5 3HG GLU 5 5.100 -10.724 -2.465 40 H ARG 6 H ARG 6 2.868 -10.312 -2.961 41 HA ARG 6 HA ARG 6 1.695 -11.305 -5.328 42 HB2 ARG 6 2HB ARG 6 4.343 -11.947 -5.246 43 HB3 ARG 6 3HB ARG 6 3.632 -13.340 -4.441 44 HG2 ARG 6 2HG ARG 6 2.001 -13.237 -6.529 45 HG3 ARG 6 3HG ARG 6 3.403 -12.448 -7.255 46 HD2 ARG 6 2HD ARG 6 4.596 -14.545 -6.049 47 HD3 ARG 6 3HD ARG 6 3.020 -15.247 -6.414 48 HE ARG 6 HE ARG 6 3.714 -14.122 -8.758 49 HH11 ARG 6 1HH1 ARG 6 5.399 -16.248 -6.576 50 HH12 ARG 6 2HH1 ARG 6 6.325 -17.011 -7.827 51 HH21 ARG 6 1HH2 ARG 6 4.926 -15.118 -10.413 52 HH22 ARG 6 2HH2 ARG 6 6.055 -16.366 -10.009 53 H ASP 7 H ASP 7 1.049 -13.773 -4.891 54 HA ASP 7 HA ASP 7 0.747 -14.647 -2.237 55 HB2 ASP 7 2HB ASP 7 -0.797 -12.528 -2.443 56 HB3 ASP 7 3HB ASP 7 -1.882 -13.648 -3.262 57 H THR 8 H THR 8 1.512 -15.953 -4.467 58 HA THR 8 HA THR 8 1.021 -17.631 -5.973 59 HB THR 8 HB THR 8 1.265 -18.825 -3.854 60 HG1 THR 8 HG1 THR 8 0.702 -20.059 -5.691 61 HG21 THR 8 3HG2 THR 8 -0.890 -19.546 -2.699 62 HG22 THR 8 1HG2 THR 8 -1.675 -18.239 -3.584 63 HG23 THR 8 2HG2 THR 8 -0.377 -17.878 -2.446 64 H SER 9 H SER 9 -0.694 -15.523 -6.474 65 HA SER 9 HA SER 9 -2.900 -16.904 -7.691 66 HB2 SER 9 2HB SER 9 -3.986 -16.600 -5.598 67 HB3 SER 9 3HB SER 9 -3.373 -14.955 -5.436 68 HG SER 9 HG SER 9 -5.488 -14.824 -6.106 69 H PHE 10 H PHE 10 -1.534 -13.752 -6.813 70 HA PHE 10 HA PHE 10 -2.033 -12.866 -9.575 71 HB2 PHE 10 2HB PHE 10 -2.453 -10.596 -8.740 72 HB3 PHE 10 3HB PHE 10 -3.609 -11.742 -8.070 73 HD1 PHE 10 HD2 PHE 10 -3.369 -12.497 -5.718 74 HD2 PHE 10 HD1 PHE 10 -0.983 -9.375 -7.353 75 HE1 PHE 10 HE2 PHE 10 -2.784 -11.758 -3.445 76 HE2 PHE 10 HE1 PHE 10 -0.394 -8.631 -5.083 77 HZ PHE 10 HZ PHE 10 -1.296 -9.822 -3.125 78 H ASN 11 H ASN 11 -0.248 -12.307 -10.624 79 HA ASN 11 HA ASN 11 2.208 -11.874 -9.089 80 HB2 ASN 11 2HB ASN 11 2.020 -13.590 -10.994 81 HB3 ASN 11 3HB ASN 11 2.033 -12.203 -12.079 82 HD21 ASN 11 1HD2 ASN 11 3.977 -13.144 -12.933 83 HD22 ASN 11 2HD2 ASN 11 5.485 -12.871 -12.134 84 H LYS 12 H LYS 12 2.544 -9.808 -8.583 85 HA LYS 12 HA LYS 12 1.454 -7.568 -9.783 86 HB2 LYS 12 2HB LYS 12 2.479 -7.400 -7.619 87 HB3 LYS 12 3HB LYS 12 4.041 -7.892 -8.259 88 HG2 LYS 12 2HG LYS 12 2.858 -5.480 -9.468 89 HG3 LYS 12 3HG LYS 12 3.357 -5.342 -7.781 90 HD2 LYS 12 2HD LYS 12 5.321 -6.702 -9.455 91 HD3 LYS 12 3HD LYS 12 4.991 -5.048 -9.975 92 HE2 LYS 12 2HE LYS 12 5.373 -5.483 -7.074 93 HE3 LYS 12 3HE LYS 12 6.798 -5.668 -8.095 94 HZ1 LYS 12 3HZ LYS 12 6.705 -3.420 -7.407 95 HZ2 LYS 12 1HZ LYS 12 5.073 -3.272 -7.827 96 HZ3 LYS 12 2HZ LYS 12 6.245 -3.438 -9.034 97 H ASN 13 H ASN 13 4.340 -9.367 -10.637 98 HA ASN 13 HA ASN 13 5.568 -7.534 -12.339 99 HB2 ASN 13 2HB ASN 13 6.833 -9.440 -11.822 100 HB3 ASN 13 3HB ASN 13 5.525 -10.539 -12.251 101 HD21 ASN 13 1HD2 ASN 13 7.285 -7.901 -13.852 102 HD22 ASN 13 2HD2 ASN 13 7.622 -8.780 -15.300 103 H GLY 14 H GLY 14 2.845 -9.680 -12.874 104 HA2 GLY 14 2HA GLY 14 2.734 -9.497 -15.686 105 HA3 GLY 14 3HA GLY 14 1.386 -9.898 -14.633 106 H CYS 15 H CYS 15 1.069 -7.607 -13.174 107 HA CYS 15 HA CYS 15 -0.345 -5.960 -14.987 108 HB2 CYS 15 2HB CYS 15 -1.080 -6.201 -12.683 109 HB3 CYS 15 3HB CYS 15 0.423 -5.498 -12.098 110 HG CYS 15 HG CYS 15 -0.549 -3.186 -13.971 111 H LEU 16 H LEU 16 2.718 -5.543 -13.256 112 HA LEU 16 HA LEU 16 3.248 -2.908 -14.031 113 HB2 LEU 16 2HB LEU 16 4.475 -4.102 -12.276 114 HB3 LEU 16 3HB LEU 16 5.205 -5.140 -13.499 115 HG LEU 16 HG LEU 16 6.220 -3.022 -14.474 116 HD11 LEU 16 1HD1 LEU 16 5.487 -1.101 -13.628 117 HD12 LEU 16 2HD1 LEU 16 6.426 -1.480 -12.185 118 HD13 LEU 16 3HD1 LEU 16 4.717 -1.910 -12.263 119 HD21 LEU 16 3HD2 LEU 16 7.259 -3.422 -11.717 120 HD22 LEU 16 1HD2 LEU 16 8.122 -3.352 -13.254 121 HD23 LEU 16 2HD2 LEU 16 7.228 -4.807 -12.810 122 H VAL 17 H VAL 17 4.108 -5.981 -15.581 123 HA VAL 17 HA VAL 17 5.560 -4.822 -17.723 124 HB VAL 17 HB VAL 17 4.203 -7.513 -17.518 125 HG11 VAL 17 1HG1 VAL 17 5.926 -8.050 -19.366 126 HG12 VAL 17 2HG1 VAL 17 4.435 -7.217 -19.812 127 HG13 VAL 17 3HG1 VAL 17 5.938 -6.309 -19.642 128 HG21 VAL 17 3HG2 VAL 17 6.202 -6.753 -15.990 129 HG22 VAL 17 1HG2 VAL 17 6.173 -8.365 -16.705 130 HG23 VAL 17 2HG2 VAL 17 7.153 -7.094 -17.436 131 H PHE 18 H PHE 18 2.180 -5.710 -17.283 132 HA PHE 18 HA PHE 18 1.347 -5.414 -19.951 133 HB2 PHE 18 2HB PHE 18 -0.030 -6.522 -18.252 134 HB3 PHE 18 3HB PHE 18 -0.229 -4.993 -17.404 135 HD1 PHE 18 HD2 PHE 18 -0.424 -5.767 -21.037 136 HD2 PHE 18 HD1 PHE 18 -2.477 -4.478 -17.539 137 HE1 PHE 18 HE2 PHE 18 -2.420 -5.283 -22.391 138 HE2 PHE 18 HE1 PHE 18 -4.477 -3.992 -18.887 139 HZ PHE 18 HZ PHE 18 -4.450 -4.393 -21.317 140 H VAL 19 H VAL 19 1.463 -3.106 -17.264 141 HA VAL 19 HA VAL 19 0.330 -0.944 -18.721 142 HB VAL 19 HB VAL 19 2.109 -0.794 -16.284 143 HG11 VAL 19 1HG1 VAL 19 1.079 1.346 -15.889 144 HG12 VAL 19 2HG1 VAL 19 1.754 1.328 -17.519 145 HG13 VAL 19 3HG1 VAL 19 0.017 1.136 -17.280 146 HG21 VAL 19 3HG2 VAL 19 0.469 -1.711 -15.099 147 HG22 VAL 19 1HG2 VAL 19 -0.639 -0.457 -15.656 148 HG23 VAL 19 2HG2 VAL 19 -0.467 -1.953 -16.574 149 H SER 20 H SER 20 3.669 -1.835 -17.897 150 HA SER 20 HA SER 20 4.959 0.365 -19.020 151 HB2 SER 20 2HB SER 20 6.194 -1.149 -17.620 152 HB3 SER 20 3HB SER 20 5.877 -2.500 -18.710 153 HG SER 20 HG SER 20 7.815 -1.898 -19.380 154 H ARG 21 H ARG 21 4.221 -2.789 -20.495 155 HA ARG 21 HA ARG 21 5.253 -2.112 -23.048 156 HB2 ARG 21 2HB ARG 21 4.387 -4.177 -23.791 157 HB3 ARG 21 3HB ARG 21 4.833 -4.444 -22.111 158 HG2 ARG 21 2HG ARG 21 2.517 -4.225 -21.431 159 HG3 ARG 21 3HG ARG 21 2.046 -3.870 -23.095 160 HD2 ARG 21 2HD ARG 21 1.642 -6.075 -23.216 161 HD3 ARG 21 3HD ARG 21 3.389 -6.208 -23.412 162 HE ARG 21 HE ARG 21 3.007 -6.248 -20.713 163 HH11 ARG 21 1HH1 ARG 21 1.791 -8.108 -23.392 164 HH12 ARG 21 2HH1 ARG 21 1.599 -9.560 -22.467 165 HH21 ARG 21 1HH2 ARG 21 2.759 -8.153 -19.483 166 HH22 ARG 21 2HH2 ARG 21 2.149 -9.584 -20.243 167 H LEU 22 H LEU 22 2.074 -1.867 -21.567 168 HA LEU 22 HA LEU 22 0.557 -1.340 -23.855 169 HB2 LEU 22 2HB LEU 22 -0.791 -1.695 -22.061 170 HB3 LEU 22 3HB LEU 22 0.277 -0.836 -20.953 171 HG LEU 22 HG LEU 22 -1.193 0.788 -22.954 172 HD11 LEU 22 1HD1 LEU 22 -3.142 0.862 -21.349 173 HD12 LEU 22 2HD1 LEU 22 -2.493 -0.613 -20.632 174 HD13 LEU 22 3HD1 LEU 22 -2.995 -0.602 -22.323 175 HD21 LEU 22 3HD2 LEU 22 0.154 1.107 -20.399 176 HD22 LEU 22 1HD2 LEU 22 -1.431 1.880 -20.432 177 HD23 LEU 22 2HD2 LEU 22 -0.219 2.304 -21.641 178 H TRP 23 H TRP 23 2.330 0.859 -21.715 179 HA TRP 23 HA TRP 23 1.530 3.264 -22.914 180 HB2 TRP 23 2HB TRP 23 3.922 2.456 -21.286 181 HB3 TRP 23 3HB TRP 23 3.815 4.074 -21.972 182 HD1 TRP 23 HD1 TRP 23 0.648 4.474 -21.445 183 HE1 TRP 23 HE1 TRP 23 -0.143 4.920 -19.036 184 HE3 TRP 23 HE3 TRP 23 4.676 2.608 -18.908 185 HZ2 TRP 23 HZ2 TRP 23 0.813 4.532 -16.409 186 HZ3 TRP 23 HZ3 TRP 23 4.659 2.684 -16.449 187 HH2 TRP 23 HH2 TRP 23 2.767 3.627 -15.227 188 H ASP 24 H ASP 24 4.118 1.012 -23.698 189 HA ASP 24 HA ASP 24 5.418 2.658 -25.605 190 HB2 ASP 24 2HB ASP 24 5.629 -0.087 -24.646 191 HB3 ASP 24 3HB ASP 24 5.930 0.042 -26.377 192 H LEU 25 H LEU 25 3.170 -0.081 -26.002 193 HA LEU 25 HA LEU 25 2.949 0.052 -28.781 194 HB2 LEU 25 2HB LEU 25 2.165 -1.839 -27.455 195 HB3 LEU 25 3HB LEU 25 0.896 -0.834 -26.758 196 HG LEU 25 HG LEU 25 0.289 -2.494 -28.635 197 HD11 LEU 25 1HD1 LEU 25 -1.599 -1.327 -28.723 198 HD12 LEU 25 2HD1 LEU 25 -0.809 0.022 -29.539 199 HD13 LEU 25 3HD1 LEU 25 -0.783 -0.081 -27.778 200 HD21 LEU 25 3HD2 LEU 25 2.270 -1.367 -30.011 201 HD22 LEU 25 1HD2 LEU 25 0.955 -0.308 -30.522 202 HD23 LEU 25 2HD2 LEU 25 0.842 -2.047 -30.792 203 H ASP 26 H ASP 26 1.367 1.890 -26.264 204 HA ASP 26 HA ASP 26 -0.638 3.033 -27.951 205 HB2 ASP 26 2HB ASP 26 -1.052 2.926 -25.582 206 HB3 ASP 26 3HB ASP 26 0.416 3.835 -25.235 207 H LYS 27 H LYS 27 0.833 3.629 -29.720 208 HA LYS 27 HA LYS 27 2.825 5.602 -29.450 209 HB2 LYS 27 2HB LYS 27 1.206 4.575 -31.760 210 HB3 LYS 27 3HB LYS 27 2.281 5.951 -31.972 211 HG2 LYS 27 2HG LYS 27 3.460 3.597 -30.652 212 HG3 LYS 27 3HG LYS 27 3.020 3.397 -32.349 213 HD2 LYS 27 2HD LYS 27 4.434 5.165 -33.025 214 HD3 LYS 27 3HD LYS 27 4.637 5.736 -31.368 215 HE2 LYS 27 2HE LYS 27 5.563 3.023 -32.282 216 HE3 LYS 27 3HE LYS 27 6.583 4.458 -32.378 217 HZ1 LYS 27 3HZ LYS 27 5.538 4.382 -29.809 218 HZ2 LYS 27 1HZ LYS 27 7.140 4.109 -30.279 219 HZ3 LYS 27 2HZ LYS 27 6.064 2.811 -30.150 220 H LEU 28 H LEU 28 -0.643 5.790 -29.834 221 HA LEU 28 HA LEU 28 -0.965 8.401 -30.692 222 HB2 LEU 28 2HB LEU 28 -2.840 6.927 -30.517 223 HB3 LEU 28 3HB LEU 28 -2.616 6.767 -28.777 224 HG LEU 28 HG LEU 28 -3.053 9.381 -28.852 225 HD11 LEU 28 1HD1 LEU 28 -4.405 10.140 -30.567 226 HD12 LEU 28 2HD1 LEU 28 -4.845 8.512 -31.082 227 HD13 LEU 28 3HD1 LEU 28 -3.233 9.139 -31.424 228 HD21 LEU 28 3HD2 LEU 28 -5.155 8.939 -28.020 229 HD22 LEU 28 1HD2 LEU 28 -4.359 7.379 -27.810 230 HD23 LEU 28 2HD2 LEU 28 -5.454 7.634 -29.169 231 H GLY 29 H GLY 29 -0.008 7.193 -27.568 232 HA2 GLY 29 2HA GLY 29 0.970 8.332 -25.811 233 HA3 GLY 29 3HA GLY 29 0.824 9.814 -26.744 234 H MET 30 H MET 30 -2.073 8.047 -26.430 235 HA MET 30 HA MET 30 -2.946 9.073 -23.928 236 HB2 MET 30 2HB MET 30 -2.912 11.035 -25.763 237 HB3 MET 30 3HB MET 30 -4.497 10.355 -26.108 238 HG2 MET 30 2HG MET 30 -5.395 11.197 -24.250 239 HG3 MET 30 3HG MET 30 -3.997 10.767 -23.266 240 HE1 MET 30 3HE MET 30 -4.766 13.352 -26.306 241 HE2 MET 30 1HE MET 30 -5.982 13.369 -25.028 242 HE3 MET 30 2HE MET 30 -4.920 14.759 -25.253 243 H PHE 31 H PHE 31 -2.946 6.576 -25.311 244 HA PHE 31 HA PHE 31 -5.814 6.127 -25.782 245 HB2 PHE 31 2HB PHE 31 -3.880 5.470 -27.468 246 HB3 PHE 31 3HB PHE 31 -3.765 4.054 -26.428 247 HD1 PHE 31 HD1 PHE 31 -6.308 6.063 -28.270 248 HD2 PHE 31 HD2 PHE 31 -5.072 2.225 -26.907 249 HE1 PHE 31 HE1 PHE 31 -8.188 5.032 -29.477 250 HE2 PHE 31 HE2 PHE 31 -6.950 1.188 -28.112 251 HZ PHE 31 HZ PHE 31 -8.511 2.592 -29.399 252 H HIS 32 H HIS 32 -6.913 5.248 -24.171 253 HA HIS 32 HA HIS 32 -6.138 2.919 -22.807 254 HB2 HIS 32 2HB HIS 32 -5.976 4.047 -20.491 255 HB3 HIS 32 3HB HIS 32 -4.560 4.099 -21.537 256 HD1 HIS 32 HD1 HIS 32 -3.475 6.302 -21.387 257 HD2 HIS 32 HD2 HIS 32 -7.610 6.612 -21.127 258 HE1 HIS 32 HE1 HIS 32 -3.953 8.762 -21.166 259 H HIS 33 H HIS 33 -8.411 3.389 -24.052 260 HA HIS 33 HA HIS 33 -10.366 3.296 -21.921 261 HB2 HIS 33 2HB HIS 33 -10.183 5.556 -23.846 262 HB3 HIS 33 3HB HIS 33 -11.792 4.937 -23.484 263 HD1 HIS 33 HD1 HIS 33 -11.429 4.373 -20.469 264 HD2 HIS 33 HD2 HIS 33 -10.191 7.851 -22.374 265 HE1 HIS 33 HE1 HIS 33 -11.313 6.123 -18.666 266 HA PRO 34 HA PRO 34 -12.326 0.375 -24.540 267 HB2 PRO 34 2HB PRO 34 -14.952 0.759 -23.965 268 HB3 PRO 34 3HB PRO 34 -13.822 0.000 -22.837 269 HG2 PRO 34 2HG PRO 34 -14.815 2.823 -22.912 270 HG3 PRO 34 3HG PRO 34 -14.599 1.750 -21.517 271 HD2 PRO 34 2HD PRO 34 -12.811 3.677 -22.162 272 HD3 PRO 34 3HD PRO 34 -12.331 2.145 -21.404 273 H VAL 35 H VAL 35 -13.300 0.132 -26.532 274 HA VAL 35 HA VAL 35 -13.484 2.453 -28.173 275 HB VAL 35 HB VAL 35 -14.056 0.956 -29.980 276 HG11 VAL 35 1HG1 VAL 35 -12.155 -0.611 -29.856 277 HG12 VAL 35 2HG1 VAL 35 -11.721 1.022 -29.347 278 HG13 VAL 35 3HG1 VAL 35 -11.985 -0.238 -28.141 279 HG21 VAL 35 3HG2 VAL 35 -14.420 -1.452 -29.576 280 HG22 VAL 35 1HG2 VAL 35 -14.416 -1.139 -27.840 281 HG23 VAL 35 2HG2 VAL 35 -15.679 -0.447 -28.858 282 H SER 36 H SER 36 -15.265 3.406 -29.120 283 HA SER 36 HA SER 36 -17.718 3.212 -27.622 284 HB2 SER 36 2HB SER 36 -17.102 4.880 -30.072 285 HB3 SER 36 3HB SER 36 -18.467 5.095 -28.976 286 HG SER 36 HG SER 36 -16.970 6.519 -28.277 287 H ALA 37 H ALA 37 -19.413 1.989 -28.100 288 HA ALA 37 HA ALA 37 -19.430 0.210 -30.292 289 HB1 ALA 37 1HB ALA 37 -22.008 0.813 -28.988 290 HB2 ALA 37 2HB ALA 37 -21.224 -0.737 -29.298 291 HB3 ALA 37 3HB ALA 37 -20.709 0.254 -27.933 292 H GLU 38 H GLU 38 -20.867 3.367 -29.767 293 HA GLU 38 HA GLU 38 -22.754 3.463 -31.778 294 HB2 GLU 38 2HB GLU 38 -22.350 5.907 -31.832 295 HB3 GLU 38 3HB GLU 38 -22.506 5.275 -30.199 296 HG2 GLU 38 2HG GLU 38 -20.678 6.510 -29.821 297 HG3 GLU 38 3HG GLU 38 -19.839 5.121 -30.508 298 H GLU 39 H GLU 39 -19.259 3.846 -32.004 299 HA GLU 39 HA GLU 39 -19.424 4.355 -34.868 300 HB2 GLU 39 2HB GLU 39 -17.614 5.083 -32.845 301 HB3 GLU 39 3HB GLU 39 -16.738 3.969 -33.886 302 HG2 GLU 39 2HG GLU 39 -16.967 5.342 -35.754 303 HG3 GLU 39 3HG GLU 39 -18.277 6.270 -35.025 304 H LEU 40 H LEU 40 -18.336 1.869 -32.622 305 HA LEU 40 HA LEU 40 -17.860 0.079 -34.913 306 HB2 LEU 40 2HB LEU 40 -16.571 0.338 -32.244 307 HB3 LEU 40 3HB LEU 40 -16.658 -1.260 -32.982 308 HG LEU 40 HG LEU 40 -14.507 -0.040 -33.349 309 HD11 LEU 40 1HD1 LEU 40 -14.915 -1.807 -34.821 310 HD12 LEU 40 2HD1 LEU 40 -14.539 -0.444 -35.874 311 HD13 LEU 40 3HD1 LEU 40 -16.215 -0.944 -35.644 312 HD21 LEU 40 3HD2 LEU 40 -16.184 1.704 -35.150 313 HD22 LEU 40 1HD2 LEU 40 -14.434 1.774 -34.938 314 HD23 LEU 40 2HD2 LEU 40 -15.502 2.208 -33.603 315 HA PRO 41 HA PRO 41 -21.671 -1.470 -32.779 316 HB2 PRO 41 2HB PRO 41 -23.005 -2.025 -35.077 317 HB3 PRO 41 3HB PRO 41 -23.025 -0.430 -34.316 318 HG2 PRO 41 2HG PRO 41 -21.383 -1.409 -36.620 319 HG3 PRO 41 3HG PRO 41 -22.228 0.137 -36.426 320 HD2 PRO 41 2HD PRO 41 -19.563 -0.126 -36.027 321 HD3 PRO 41 3HD PRO 41 -20.555 1.032 -35.117 322 H ASP 42 H ASP 42 -19.407 -2.685 -35.066 323 HA ASP 42 HA ASP 42 -20.339 -5.439 -34.592 324 HB2 ASP 42 2HB ASP 42 -19.484 -6.080 -36.665 325 HB3 ASP 42 3HB ASP 42 -20.122 -4.471 -36.992 326 H TYR 43 H TYR 43 -18.543 -3.602 -32.960 327 HA TYR 43 HA TYR 43 -15.890 -4.355 -33.035 328 HB2 TYR 43 2HB TYR 43 -15.721 -3.612 -30.775 329 HB3 TYR 43 3HB TYR 43 -16.946 -2.609 -31.545 330 HD1 TYR 43 HD1 TYR 43 -19.416 -3.386 -31.231 331 HD2 TYR 43 HD2 TYR 43 -16.195 -4.640 -28.749 332 HE1 TYR 43 HE1 TYR 43 -21.018 -3.977 -29.461 333 HE2 TYR 43 HE2 TYR 43 -17.788 -5.236 -26.973 334 HH TYR 43 HH TYR 43 -20.010 -4.769 -26.261 335 H HIS 44 H HIS 44 -18.644 -6.086 -31.724 336 HA HIS 44 HA HIS 44 -17.241 -8.048 -30.274 337 HB2 HIS 44 2HB HIS 44 -19.862 -7.437 -30.576 338 HB3 HIS 44 3HB HIS 44 -19.759 -8.877 -31.586 339 HD1 HIS 44 HD1 HIS 44 -20.475 -10.847 -30.296 340 HD2 HIS 44 HD2 HIS 44 -18.367 -8.155 -27.936 341 HE1 HIS 44 HE1 HIS 44 -20.354 -11.902 -28.017 342 H THR 45 H THR 45 -18.200 -7.843 -33.656 343 HA THR 45 HA THR 45 -17.195 -10.502 -34.233 344 HB THR 45 HB THR 45 -17.689 -9.029 -36.627 345 HG1 THR 45 HG1 THR 45 -20.056 -8.732 -35.981 346 HG21 THR 45 3HG2 THR 45 -17.975 -11.416 -36.447 347 HG22 THR 45 1HG2 THR 45 -19.529 -10.690 -36.857 348 HG23 THR 45 2HG2 THR 45 -19.209 -11.214 -35.203 349 H VAL 46 H VAL 46 -15.902 -7.417 -33.953 350 HA VAL 46 HA VAL 46 -13.819 -7.815 -35.954 351 HB VAL 46 HB VAL 46 -14.259 -5.522 -34.035 352 HG11 VAL 46 1HG1 VAL 46 -11.924 -5.701 -34.633 353 HG12 VAL 46 2HG1 VAL 46 -12.340 -5.822 -36.343 354 HG13 VAL 46 3HG1 VAL 46 -12.643 -4.323 -35.464 355 HG21 VAL 46 3HG2 VAL 46 -15.721 -4.694 -35.491 356 HG22 VAL 46 1HG2 VAL 46 -14.568 -4.877 -36.814 357 HG23 VAL 46 2HG2 VAL 46 -15.636 -6.213 -36.384 358 H ILE 47 H ILE 47 -14.028 -7.246 -32.442 359 HA ILE 47 HA ILE 47 -11.469 -8.678 -32.159 360 HB ILE 47 HB ILE 47 -11.177 -7.235 -30.054 361 HG12 ILE 47 2HG1 ILE 47 -13.150 -5.531 -31.591 362 HG13 ILE 47 3HG1 ILE 47 -13.431 -6.278 -30.022 363 HG21 ILE 47 1HG2 ILE 47 -10.068 -5.466 -31.331 364 HG22 ILE 47 2HG2 ILE 47 -9.761 -7.056 -32.027 365 HG23 ILE 47 3HG2 ILE 47 -10.931 -5.975 -32.782 366 HD11 ILE 47 3HD1 ILE 47 -11.683 -4.893 -29.046 367 HD12 ILE 47 1HD1 ILE 47 -11.389 -4.151 -30.618 368 HD13 ILE 47 2HD1 ILE 47 -12.936 -3.912 -29.805 369 H LYS 48 H LYS 48 -14.519 -7.781 -30.597 370 HA LYS 48 HA LYS 48 -15.850 -8.885 -29.119 371 HB2 LYS 48 2HB LYS 48 -14.922 -10.843 -30.761 372 HB3 LYS 48 3HB LYS 48 -14.348 -11.424 -29.203 373 HG2 LYS 48 2HG LYS 48 -16.586 -11.418 -28.321 374 HG3 LYS 48 3HG LYS 48 -17.205 -10.685 -29.802 375 HD2 LYS 48 2HD LYS 48 -15.682 -13.184 -30.154 376 HD3 LYS 48 3HD LYS 48 -17.223 -13.342 -29.307 377 HE2 LYS 48 2HE LYS 48 -18.271 -12.060 -31.200 378 HE3 LYS 48 3HE LYS 48 -16.737 -12.209 -32.056 379 HZ1 LYS 48 3HZ LYS 48 -18.763 -13.993 -32.165 380 HZ2 LYS 48 1HZ LYS 48 -17.732 -14.705 -31.027 381 HZ3 LYS 48 2HZ LYS 48 -17.154 -14.325 -32.571 382 H ARG 49 H ARG 49 -12.971 -7.861 -28.495 383 HA ARG 49 HA ARG 49 -12.915 -8.952 -25.760 384 HB2 ARG 49 2HB ARG 49 -10.660 -8.501 -27.682 385 HB3 ARG 49 3HB ARG 49 -10.370 -8.373 -25.952 386 HG2 ARG 49 2HG ARG 49 -11.689 -10.793 -27.120 387 HG3 ARG 49 3HG ARG 49 -9.933 -10.620 -27.108 388 HD2 ARG 49 2HD ARG 49 -10.266 -11.731 -25.129 389 HD3 ARG 49 3HD ARG 49 -10.316 -10.057 -24.578 390 HE ARG 49 HE ARG 49 -12.911 -10.968 -25.263 391 HH11 ARG 49 1HH1 ARG 49 -10.463 -11.223 -22.800 392 HH12 ARG 49 2HH1 ARG 49 -11.592 -11.561 -21.530 393 HH21 ARG 49 1HH2 ARG 49 -14.406 -11.413 -23.599 394 HH22 ARG 49 2HH2 ARG 49 -13.834 -11.670 -21.986 395 HA PRO 50 HA PRO 50 -13.561 -4.475 -25.286 396 HB2 PRO 50 2HB PRO 50 -14.698 -4.694 -22.830 397 HB3 PRO 50 3HB PRO 50 -15.599 -4.939 -24.331 398 HG2 PRO 50 2HG PRO 50 -14.416 -6.971 -22.479 399 HG3 PRO 50 3HG PRO 50 -15.997 -6.976 -23.283 400 HD2 PRO 50 2HD PRO 50 -13.893 -8.413 -24.199 401 HD3 PRO 50 3HD PRO 50 -15.120 -7.722 -25.279 402 H VAL 51 H VAL 51 -12.299 -3.000 -24.264 403 HA VAL 51 HA VAL 51 -10.588 -3.919 -22.056 404 HB VAL 51 HB VAL 51 -8.656 -2.810 -22.964 405 HG11 VAL 51 1HG1 VAL 51 -9.171 -5.136 -23.695 406 HG12 VAL 51 2HG1 VAL 51 -9.884 -4.466 -25.164 407 HG13 VAL 51 3HG1 VAL 51 -8.168 -4.232 -24.830 408 HG21 VAL 51 3HG2 VAL 51 -10.638 -1.628 -24.775 409 HG22 VAL 51 1HG2 VAL 51 -9.100 -0.986 -24.196 410 HG23 VAL 51 2HG2 VAL 51 -9.131 -2.112 -25.553 411 H ASP 52 H ASP 52 -10.274 -2.475 -20.437 412 HA ASP 52 HA ASP 52 -11.028 0.316 -20.825 413 HB2 ASP 52 2HB ASP 52 -12.154 -1.101 -18.436 414 HB3 ASP 52 3HB ASP 52 -12.692 0.391 -19.202 415 H LEU 53 H LEU 53 -10.267 1.722 -19.144 416 HA LEU 53 HA LEU 53 -7.744 0.864 -18.070 417 HB2 LEU 53 2HB LEU 53 -8.010 3.101 -18.980 418 HB3 LEU 53 3HB LEU 53 -9.251 3.460 -17.781 419 HG LEU 53 HG LEU 53 -7.335 2.974 -16.072 420 HD11 LEU 53 1HD1 LEU 53 -5.933 2.480 -18.372 421 HD12 LEU 53 2HD1 LEU 53 -5.228 2.859 -16.801 422 HD13 LEU 53 3HD1 LEU 53 -5.472 4.139 -17.990 423 HD21 LEU 53 3HD2 LEU 53 -7.785 5.433 -17.718 424 HD22 LEU 53 1HD2 LEU 53 -6.559 5.413 -16.451 425 HD23 LEU 53 2HD2 LEU 53 -8.248 5.105 -16.048 426 H SER 54 H SER 54 -10.874 1.847 -16.725 427 HA SER 54 HA SER 54 -10.103 1.589 -14.009 428 HB2 SER 54 2HB SER 54 -12.016 2.936 -14.501 429 HB3 SER 54 3HB SER 54 -12.805 1.614 -15.360 430 HG SER 54 HG SER 54 -12.432 1.968 -12.594 431 H SER 55 H SER 55 -11.547 -0.615 -16.343 432 HA SER 55 HA SER 55 -12.260 -2.681 -14.595 433 HB2 SER 55 2HB SER 55 -12.869 -2.459 -17.052 434 HB3 SER 55 3HB SER 55 -11.261 -3.084 -17.419 435 HG SER 55 HG SER 55 -13.362 -4.378 -16.027 436 H ILE 56 H ILE 56 -9.213 -1.995 -16.250 437 HA ILE 56 HA ILE 56 -7.876 -4.359 -15.465 438 HB ILE 56 HB ILE 56 -6.764 -1.660 -16.232 439 HG12 ILE 56 2HG1 ILE 56 -6.718 -4.158 -17.900 440 HG13 ILE 56 3HG1 ILE 56 -8.147 -3.131 -17.876 441 HG21 ILE 56 1HG2 ILE 56 -4.644 -2.878 -16.621 442 HG22 ILE 56 2HG2 ILE 56 -5.117 -2.829 -14.924 443 HG23 ILE 56 3HG2 ILE 56 -5.360 -4.301 -15.864 444 HD11 ILE 56 3HD1 ILE 56 -6.852 -1.261 -18.687 445 HD12 ILE 56 1HD1 ILE 56 -5.379 -2.227 -18.631 446 HD13 ILE 56 2HD1 ILE 56 -6.665 -2.645 -19.763 447 H ARG 57 H ARG 57 -7.892 -1.076 -14.099 448 HA ARG 57 HA ARG 57 -6.112 -1.605 -11.984 449 HB2 ARG 57 2HB ARG 57 -6.692 0.668 -12.731 450 HB3 ARG 57 3HB ARG 57 -8.329 0.445 -12.127 451 HG2 ARG 57 2HG ARG 57 -6.959 1.771 -10.600 452 HG3 ARG 57 3HG ARG 57 -7.497 0.262 -9.858 453 HD2 ARG 57 2HD ARG 57 -5.400 -0.599 -9.765 454 HD3 ARG 57 3HD ARG 57 -4.888 0.204 -11.249 455 HE ARG 57 HE ARG 57 -5.148 2.251 -9.505 456 HH11 ARG 57 1HH1 ARG 57 -3.469 -0.796 -9.373 457 HH12 ARG 57 2HH1 ARG 57 -2.213 -0.208 -8.335 458 HH21 ARG 57 1HH2 ARG 57 -3.500 3.037 -8.138 459 HH22 ARG 57 2HH2 ARG 57 -2.232 1.973 -7.632 460 H ASP 58 H ASP 58 -9.624 -1.852 -12.239 461 HA ASP 58 HA ASP 58 -10.038 -2.470 -9.484 462 HB2 ASP 58 2HB ASP 58 -11.833 -1.518 -10.835 463 HB3 ASP 58 3HB ASP 58 -11.811 -2.926 -11.892 464 H GLY 59 H GLY 59 -9.599 -4.373 -12.421 465 HA2 GLY 59 2HA GLY 59 -10.249 -6.891 -11.322 466 HA3 GLY 59 3HA GLY 59 -9.259 -6.620 -12.749 467 H ILE 60 H ILE 60 -7.166 -5.166 -11.580 468 HA ILE 60 HA ILE 60 -5.572 -7.280 -10.576 469 HB ILE 60 HB ILE 60 -5.068 -4.305 -10.647 470 HG12 ILE 60 2HG1 ILE 60 -5.293 -5.472 -12.837 471 HG13 ILE 60 3HG1 ILE 60 -3.689 -4.797 -12.574 472 HG21 ILE 60 1HG2 ILE 60 -3.611 -4.971 -8.986 473 HG22 ILE 60 2HG2 ILE 60 -3.382 -6.574 -9.684 474 HG23 ILE 60 3HG2 ILE 60 -2.622 -5.170 -10.433 475 HD11 ILE 60 3HD1 ILE 60 -4.423 -7.680 -12.133 476 HD12 ILE 60 1HD1 ILE 60 -3.664 -7.042 -13.591 477 HD13 ILE 60 2HD1 ILE 60 -2.811 -6.969 -12.048 478 H GLU 61 H GLU 61 -6.987 -4.410 -9.030 479 HA GLU 61 HA GLU 61 -5.955 -4.931 -6.452 480 HB2 GLU 61 2HB GLU 61 -8.050 -3.159 -7.595 481 HB3 GLU 61 3HB GLU 61 -8.118 -3.472 -5.866 482 HG2 GLU 61 2HG GLU 61 -5.560 -2.850 -6.007 483 HG3 GLU 61 3HG GLU 61 -6.093 -1.992 -7.451 484 H LYS 62 H LYS 62 -8.730 -6.107 -8.181 485 HA LYS 62 HA LYS 62 -9.917 -7.268 -5.790 486 HB2 LYS 62 2HB LYS 62 -10.758 -7.276 -8.690 487 HB3 LYS 62 3HB LYS 62 -11.639 -8.115 -7.420 488 HG2 LYS 62 2HG LYS 62 -11.081 -5.162 -7.358 489 HG3 LYS 62 3HG LYS 62 -12.537 -5.863 -8.068 490 HD2 LYS 62 2HD LYS 62 -13.440 -6.341 -6.055 491 HD3 LYS 62 3HD LYS 62 -11.886 -6.792 -5.350 492 HE2 LYS 62 2HE LYS 62 -11.598 -4.765 -4.460 493 HE3 LYS 62 3HE LYS 62 -12.041 -3.958 -5.963 494 HZ1 LYS 62 3HZ LYS 62 -13.568 -4.268 -3.618 495 HZ2 LYS 62 1HZ LYS 62 -14.369 -5.032 -4.897 496 HZ3 LYS 62 2HZ LYS 62 -13.947 -3.399 -5.019 497 H GLY 63 H GLY 63 -7.672 -8.118 -8.190 498 HA2 GLY 63 2HA GLY 63 -6.456 -10.058 -8.459 499 HA3 GLY 63 3HA GLY 63 -7.318 -10.729 -7.083 500 H THR 64 H THR 64 -9.028 -9.471 -9.843 501 HA THR 64 HA THR 64 -10.696 -11.584 -10.249 502 HB THR 64 HB THR 64 -9.556 -9.855 -12.453 503 HG1 THR 64 HG1 THR 64 -11.768 -9.485 -10.694 504 HG21 THR 64 3HG2 THR 64 -10.746 -11.750 -13.361 505 HG22 THR 64 1HG2 THR 64 -11.739 -10.306 -13.549 506 HG23 THR 64 2HG2 THR 64 -12.103 -11.466 -12.272 507 H TYR 65 H TYR 65 -7.417 -11.211 -11.475 508 HA TYR 65 HA TYR 65 -7.388 -13.347 -13.281 509 HB2 TYR 65 2HB TYR 65 -5.137 -12.211 -11.610 510 HB3 TYR 65 3HB TYR 65 -4.920 -13.315 -12.963 511 HD1 TYR 65 HD2 TYR 65 -6.024 -9.918 -12.020 512 HD2 TYR 65 HD1 TYR 65 -4.978 -12.534 -15.208 513 HE1 TYR 65 HE2 TYR 65 -5.962 -8.003 -13.562 514 HE2 TYR 65 HE1 TYR 65 -4.911 -10.626 -16.760 515 HH TYR 65 HH TYR 65 -6.015 -7.458 -15.823 516 H ALA 66 H ALA 66 -5.496 -15.132 -12.676 517 HA ALA 66 HA ALA 66 -6.389 -16.443 -10.196 518 HB1 ALA 66 1HB ALA 66 -5.705 -18.412 -12.146 519 HB2 ALA 66 2HB ALA 66 -7.239 -18.159 -11.313 520 HB3 ALA 66 3HB ALA 66 -6.909 -17.316 -12.826 521 H THR 67 H THR 67 -3.875 -16.114 -12.649 522 HA THR 67 HA THR 67 -1.790 -16.271 -10.730 523 HB THR 67 HB THR 67 -1.080 -18.436 -12.439 524 HG1 THR 67 HG1 THR 67 -3.285 -18.882 -12.681 525 HG21 THR 67 3HG2 THR 67 -0.012 -18.458 -10.415 526 HG22 THR 67 1HG2 THR 67 -1.302 -19.610 -10.071 527 HG23 THR 67 2HG2 THR 67 -1.446 -17.938 -9.529 528 H ASP 68 H ASP 68 0.374 -16.906 -12.176 529 HA ASP 68 HA ASP 68 0.775 -14.679 -13.820 530 HB2 ASP 68 2HB ASP 68 2.853 -15.961 -14.571 531 HB3 ASP 68 3HB ASP 68 2.696 -15.652 -12.844 532 H VAL 69 H VAL 69 -0.237 -17.951 -14.564 533 HA VAL 69 HA VAL 69 0.116 -17.816 -17.370 534 HB VAL 69 HB VAL 69 -1.780 -19.526 -15.752 535 HG11 VAL 69 1HG1 VAL 69 -2.638 -20.222 -17.677 536 HG12 VAL 69 2HG1 VAL 69 -1.568 -19.143 -18.574 537 HG13 VAL 69 3HG1 VAL 69 -1.039 -20.776 -18.170 538 HG21 VAL 69 3HG2 VAL 69 0.270 -20.250 -15.041 539 HG22 VAL 69 1HG2 VAL 69 0.094 -21.234 -16.495 540 HG23 VAL 69 2HG2 VAL 69 1.080 -19.772 -16.533 541 H ASP 70 H ASP 70 -2.759 -17.363 -15.319 542 HA ASP 70 HA ASP 70 -4.550 -16.757 -17.393 543 HB2 ASP 70 2HB ASP 70 -5.235 -17.339 -15.083 544 HB3 ASP 70 3HB ASP 70 -4.631 -15.780 -14.531 545 H VAL 71 H VAL 71 -2.347 -14.735 -15.536 546 HA VAL 71 HA VAL 71 -3.320 -12.241 -16.469 547 HB VAL 71 HB VAL 71 -0.618 -13.000 -15.356 548 HG11 VAL 71 1HG1 VAL 71 -1.692 -10.420 -16.356 549 HG12 VAL 71 2HG1 VAL 71 -0.714 -10.391 -14.887 550 HG13 VAL 71 3HG1 VAL 71 -0.044 -11.048 -16.381 551 HG21 VAL 71 3HG2 VAL 71 -2.780 -13.164 -13.953 552 HG22 VAL 71 1HG2 VAL 71 -1.394 -12.309 -13.276 553 HG23 VAL 71 2HG2 VAL 71 -2.738 -11.401 -13.968 554 H GLN 72 H GLN 72 -0.671 -14.348 -17.530 555 HA GLN 72 HA GLN 72 0.324 -12.660 -19.545 556 HB2 GLN 72 2HB GLN 72 1.632 -14.525 -18.736 557 HB3 GLN 72 3HB GLN 72 0.412 -15.668 -19.281 558 HG2 GLN 72 2HG GLN 72 1.169 -14.115 -21.516 559 HG3 GLN 72 3HG GLN 72 2.644 -14.623 -20.695 560 HE21 GLN 72 1HE2 GLN 72 1.658 -15.451 -23.274 561 HE22 GLN 72 2HE2 GLN 72 1.443 -17.164 -23.197 562 H ASN 73 H ASN 73 -2.188 -15.139 -19.576 563 HA ASN 73 HA ASN 73 -2.610 -15.079 -22.387 564 HB2 ASN 73 2HB ASN 73 -3.379 -17.033 -21.359 565 HB3 ASN 73 3HB ASN 73 -4.159 -16.152 -20.049 566 HD21 ASN 73 1HD2 ASN 73 -6.190 -15.291 -20.352 567 HD22 ASN 73 2HD2 ASN 73 -7.184 -15.700 -21.705 568 H ASP 74 H ASP 74 -4.073 -13.407 -19.649 569 HA ASP 74 HA ASP 74 -6.198 -12.196 -21.040 570 HB2 ASP 74 2HB ASP 74 -5.539 -12.329 -18.445 571 HB3 ASP 74 3HB ASP 74 -4.936 -10.711 -18.796 572 H VAL 75 H VAL 75 -2.971 -10.946 -20.205 573 HA VAL 75 HA VAL 75 -3.271 -8.460 -21.496 574 HB VAL 75 HB VAL 75 -0.792 -8.339 -21.429 575 HG11 VAL 75 1HG1 VAL 75 -2.072 -7.625 -19.505 576 HG12 VAL 75 2HG1 VAL 75 -2.136 -9.281 -18.898 577 HG13 VAL 75 3HG1 VAL 75 -0.595 -8.427 -18.972 578 HG21 VAL 75 3HG2 VAL 75 0.329 -10.240 -20.144 579 HG22 VAL 75 1HG2 VAL 75 -1.095 -11.196 -20.554 580 HG23 VAL 75 2HG2 VAL 75 -0.076 -10.538 -21.834 581 H ALA 76 H ALA 76 -1.946 -11.554 -22.593 582 HA ALA 76 HA ALA 76 -0.941 -10.743 -25.062 583 HB1 ALA 76 1HB ALA 76 -0.288 -12.870 -24.597 584 HB2 ALA 76 2HB ALA 76 -1.850 -13.320 -23.912 585 HB3 ALA 76 3HB ALA 76 -1.647 -13.231 -25.662 586 H ARG 77 H ARG 77 -4.181 -11.953 -24.236 587 HA ARG 77 HA ARG 77 -5.218 -11.775 -26.863 588 HB2 ARG 77 2HB ARG 77 -6.234 -12.365 -24.190 589 HB3 ARG 77 3HB ARG 77 -7.399 -11.500 -25.183 590 HG2 ARG 77 2HG ARG 77 -6.430 -13.434 -26.887 591 HG3 ARG 77 3HG ARG 77 -6.510 -14.257 -25.328 592 HD2 ARG 77 2HD ARG 77 -8.836 -13.653 -25.084 593 HD3 ARG 77 3HD ARG 77 -8.774 -12.697 -26.564 594 HE ARG 77 HE ARG 77 -8.023 -15.235 -27.300 595 HH11 ARG 77 1HH1 ARG 77 -10.807 -13.770 -25.809 596 HH12 ARG 77 2HH1 ARG 77 -11.923 -14.931 -26.448 597 HH21 ARG 77 1HH2 ARG 77 -9.483 -16.770 -28.147 598 HH22 ARG 77 2HH2 ARG 77 -11.169 -16.637 -27.777 599 H MET 78 H MET 78 -5.102 -9.526 -24.156 600 HA MET 78 HA MET 78 -6.870 -7.589 -25.132 601 HB2 MET 78 2HB MET 78 -5.606 -7.825 -22.831 602 HB3 MET 78 3HB MET 78 -4.428 -6.777 -23.610 603 HG2 MET 78 2HG MET 78 -5.657 -5.034 -23.046 604 HG3 MET 78 3HG MET 78 -6.939 -5.629 -24.099 605 HE1 MET 78 3HE MET 78 -8.274 -7.723 -23.344 606 HE2 MET 78 1HE MET 78 -7.563 -8.513 -21.937 607 HE3 MET 78 2HE MET 78 -9.137 -7.730 -21.805 608 H ILE 79 H ILE 79 -3.352 -7.892 -25.537 609 HA ILE 79 HA ILE 79 -3.062 -5.566 -27.128 610 HB ILE 79 HB ILE 79 -1.336 -7.945 -26.576 611 HG12 ILE 79 2HG1 ILE 79 0.226 -5.994 -25.952 612 HG13 ILE 79 3HG1 ILE 79 -1.197 -4.971 -26.114 613 HG21 ILE 79 1HG2 ILE 79 0.412 -6.832 -28.035 614 HG22 ILE 79 2HG2 ILE 79 -0.887 -7.679 -28.873 615 HG23 ILE 79 3HG2 ILE 79 -0.914 -5.920 -28.756 616 HD11 ILE 79 3HD1 ILE 79 -2.331 -6.326 -24.406 617 HD12 ILE 79 1HD1 ILE 79 -0.860 -7.280 -24.216 618 HD13 ILE 79 2HD1 ILE 79 -0.858 -5.564 -23.807 619 H THR 80 H THR 80 -3.485 -8.991 -27.913 620 HA THR 80 HA THR 80 -3.109 -8.868 -30.666 621 HB THR 80 HB THR 80 -5.062 -10.645 -29.192 622 HG1 THR 80 HG1 THR 80 -3.338 -11.631 -28.483 623 HG21 THR 80 3HG2 THR 80 -3.999 -12.045 -31.320 624 HG22 THR 80 1HG2 THR 80 -4.261 -10.433 -31.985 625 HG23 THR 80 2HG2 THR 80 -5.603 -11.316 -31.259 626 H ASN 81 H ASN 81 -6.100 -8.444 -28.791 627 HA ASN 81 HA ASN 81 -7.738 -7.958 -31.064 628 HB2 ASN 81 2HB ASN 81 -9.417 -8.026 -29.571 629 HB3 ASN 81 3HB ASN 81 -8.188 -8.434 -28.378 630 HD21 ASN 81 1HD2 ASN 81 -7.837 -7.081 -26.741 631 HD22 ASN 81 2HD2 ASN 81 -8.538 -5.510 -26.583 632 H ALA 82 H ALA 82 -5.947 -5.897 -28.842 633 HA ALA 82 HA ALA 82 -6.995 -3.416 -29.549 634 HB1 ALA 82 1HB ALA 82 -4.386 -4.325 -28.432 635 HB2 ALA 82 2HB ALA 82 -4.561 -2.648 -28.950 636 HB3 ALA 82 3HB ALA 82 -5.629 -3.303 -27.709 637 H LEU 83 H LEU 83 -4.094 -5.027 -30.861 638 HA LEU 83 HA LEU 83 -3.677 -3.081 -32.890 639 HB2 LEU 83 2HB LEU 83 -2.134 -4.806 -33.846 640 HB3 LEU 83 3HB LEU 83 -1.808 -4.343 -32.177 641 HG LEU 83 HG LEU 83 -3.402 -6.543 -31.858 642 HD11 LEU 83 1HD1 LEU 83 -2.831 -6.665 -34.508 643 HD12 LEU 83 2HD1 LEU 83 -3.176 -8.063 -33.490 644 HD13 LEU 83 3HD1 LEU 83 -1.505 -7.607 -33.824 645 HD21 LEU 83 3HD2 LEU 83 -0.969 -5.746 -31.051 646 HD22 LEU 83 1HD2 LEU 83 -0.509 -7.060 -32.134 647 HD23 LEU 83 2HD2 LEU 83 -1.597 -7.372 -30.781 648 H GLU 84 H GLU 84 -5.439 -6.107 -32.729 649 HA GLU 84 HA GLU 84 -5.836 -6.490 -35.490 650 HB2 GLU 84 2HB GLU 84 -6.306 -8.344 -34.130 651 HB3 GLU 84 3HB GLU 84 -7.311 -7.403 -33.037 652 HG2 GLU 84 2HG GLU 84 -9.066 -7.274 -34.650 653 HG3 GLU 84 3HG GLU 84 -8.046 -8.000 -35.891 654 H TYR 85 H TYR 85 -7.388 -4.427 -33.159 655 HA TYR 85 HA TYR 85 -9.611 -3.811 -34.918 656 HB2 TYR 85 2HB TYR 85 -10.197 -3.848 -32.626 657 HB3 TYR 85 3HB TYR 85 -8.806 -2.872 -32.171 658 HD1 TYR 85 HD2 TYR 85 -11.325 -2.312 -34.859 659 HD2 TYR 85 HD1 TYR 85 -9.695 -0.970 -31.166 660 HE1 TYR 85 HE2 TYR 85 -12.712 -0.285 -34.991 661 HE2 TYR 85 HE1 TYR 85 -11.077 1.061 -31.287 662 HH TYR 85 HH TYR 85 -12.214 2.384 -33.509 663 H ASN 86 H ASN 86 -6.661 -2.277 -33.735 664 HA ASN 86 HA ASN 86 -7.168 0.207 -35.083 665 HB2 ASN 86 2HB ASN 86 -4.651 -0.889 -33.809 666 HB3 ASN 86 3HB ASN 86 -4.834 0.754 -34.416 667 HD21 ASN 86 1HD2 ASN 86 -4.232 -0.113 -31.734 668 HD22 ASN 86 2HD2 ASN 86 -5.492 0.498 -30.721 669 H ALA 87 H ALA 87 -6.321 -2.785 -36.185 670 HA ALA 87 HA ALA 87 -4.294 -2.178 -38.075 671 HB1 ALA 87 1HB ALA 87 -6.097 -4.364 -38.797 672 HB2 ALA 87 2HB ALA 87 -4.352 -4.368 -38.537 673 HB3 ALA 87 3HB ALA 87 -5.449 -4.477 -37.161 674 H LYS 88 H LYS 88 -4.794 -0.407 -39.313 675 HA LYS 88 HA LYS 88 -6.585 -0.856 -41.514 676 HB2 LYS 88 2HB LYS 88 -7.935 1.185 -41.144 677 HB3 LYS 88 3HB LYS 88 -8.204 -0.037 -39.908 678 HG2 LYS 88 2HG LYS 88 -6.843 1.167 -38.341 679 HG3 LYS 88 3HG LYS 88 -6.372 2.330 -39.582 680 HD2 LYS 88 2HD LYS 88 -8.069 3.341 -38.236 681 HD3 LYS 88 3HD LYS 88 -8.784 2.951 -39.802 682 HE2 LYS 88 2HE LYS 88 -10.387 1.858 -38.718 683 HE3 LYS 88 3HE LYS 88 -9.173 0.680 -38.223 684 HZ1 LYS 88 3HZ LYS 88 -10.487 2.720 -36.676 685 HZ2 LYS 88 1HZ LYS 88 -8.810 2.688 -36.457 686 HZ3 LYS 88 2HZ LYS 88 -9.727 1.297 -36.166 687 H GLY 89 H GLY 89 -3.731 -0.233 -40.876 688 HA2 GLY 89 2HA GLY 89 -3.487 2.079 -42.692 689 HA3 GLY 89 3HA GLY 89 -2.494 1.965 -41.247 690 H SER 90 H SER 90 -0.731 0.608 -41.213 691 HA SER 90 HA SER 90 -0.173 -1.429 -43.042 692 HB2 SER 90 2HB SER 90 0.068 -0.015 -44.862 693 HB3 SER 90 3HB SER 90 0.672 1.319 -43.879 694 HG SER 90 HG SER 90 2.039 -0.976 -44.784 695 H THR 91 H THR 91 1.953 1.240 -42.049 696 HA THR 91 HA THR 91 3.944 -0.475 -41.018 697 HB THR 91 HB THR 91 3.887 2.241 -39.886 698 HG1 THR 91 HG1 THR 91 4.362 2.078 -42.660 699 HG21 THR 91 3HG2 THR 91 6.177 2.269 -40.740 700 HG22 THR 91 1HG2 THR 91 5.886 0.753 -41.594 701 HG23 THR 91 2HG2 THR 91 5.865 0.790 -39.831 702 H TRP 92 H TRP 92 1.271 1.257 -39.508 703 HA TRP 92 HA TRP 92 1.981 0.881 -36.829 704 HB2 TRP 92 2HB TRP 92 -0.285 1.840 -38.280 705 HB3 TRP 92 3HB TRP 92 -0.850 0.719 -37.045 706 HD1 TRP 92 HD1 TRP 92 -1.692 2.180 -35.116 707 HE1 TRP 92 HE1 TRP 92 -0.755 4.161 -33.764 708 HE3 TRP 92 HE3 TRP 92 2.606 3.006 -37.758 709 HZ2 TRP 92 HZ2 TRP 92 1.506 5.850 -33.813 710 HZ3 TRP 92 HZ3 TRP 92 4.101 4.824 -37.041 711 HH2 TRP 92 HH2 TRP 92 3.560 6.216 -35.109 712 H TYR 93 H TYR 93 0.335 -1.230 -39.106 713 HA TYR 93 HA TYR 93 -0.546 -3.163 -37.250 714 HB2 TYR 93 2HB TYR 93 -1.441 -3.041 -39.522 715 HB3 TYR 93 3HB TYR 93 0.132 -3.472 -40.182 716 HD1 TYR 93 HD2 TYR 93 -1.921 -4.887 -37.396 717 HD2 TYR 93 HD1 TYR 93 0.025 -5.580 -41.115 718 HE1 TYR 93 HE2 TYR 93 -2.523 -7.268 -37.261 719 HE2 TYR 93 HE1 TYR 93 -0.572 -7.962 -40.991 720 HH TYR 93 HH TYR 93 -1.183 -9.625 -39.354 721 H GLN 94 H GLN 94 2.425 -2.866 -39.151 722 HA GLN 94 HA GLN 94 3.533 -5.348 -38.333 723 HB2 GLN 94 2HB GLN 94 4.208 -3.330 -40.145 724 HB3 GLN 94 3HB GLN 94 5.529 -3.350 -38.984 725 HG2 GLN 94 2HG GLN 94 5.692 -5.823 -39.357 726 HG3 GLN 94 3HG GLN 94 4.544 -5.625 -40.680 727 HE21 GLN 94 1HE2 GLN 94 7.740 -5.789 -39.909 728 HE22 GLN 94 2HE2 GLN 94 8.411 -5.020 -41.302 729 H GLU 95 H GLU 95 3.720 -2.063 -37.081 730 HA GLU 95 HA GLU 95 5.784 -2.516 -35.207 731 HB2 GLU 95 2HB GLU 95 5.319 -0.264 -35.734 732 HB3 GLU 95 3HB GLU 95 3.601 -0.456 -35.414 733 HG2 GLU 95 2HG GLU 95 5.538 -0.860 -33.192 734 HG3 GLU 95 3HG GLU 95 5.154 0.779 -33.716 735 H ALA 96 H ALA 96 2.246 -2.578 -34.899 736 HA ALA 96 HA ALA 96 2.226 -3.234 -32.141 737 HB1 ALA 96 1HB ALA 96 -0.058 -4.093 -33.807 738 HB2 ALA 96 2HB ALA 96 -0.029 -3.167 -32.306 739 HB3 ALA 96 3HB ALA 96 0.339 -2.375 -33.838 740 H MET 97 H MET 97 2.215 -5.154 -35.094 741 HA MET 97 HA MET 97 1.720 -7.647 -33.803 742 HB2 MET 97 2HB MET 97 1.425 -6.995 -36.299 743 HB3 MET 97 3HB MET 97 3.135 -7.383 -36.438 744 HG2 MET 97 2HG MET 97 1.883 -9.510 -35.057 745 HG3 MET 97 3HG MET 97 0.901 -9.130 -36.470 746 HE1 MET 97 3HE MET 97 2.052 -12.090 -37.028 747 HE2 MET 97 1HE MET 97 1.004 -10.900 -37.802 748 HE3 MET 97 2HE MET 97 2.383 -11.564 -38.680 749 H SER 98 H SER 98 4.642 -5.988 -34.929 750 HA SER 98 HA SER 98 6.450 -8.060 -34.296 751 HB2 SER 98 2HB SER 98 6.759 -5.097 -34.727 752 HB3 SER 98 3HB SER 98 8.133 -6.095 -34.251 753 HG SER 98 HG SER 98 6.489 -6.573 -36.515 754 H PHE 99 H PHE 99 5.302 -5.257 -32.468 755 HA PHE 99 HA PHE 99 6.988 -5.678 -30.222 756 HB2 PHE 99 2HB PHE 99 4.687 -3.942 -30.886 757 HB3 PHE 99 3HB PHE 99 4.924 -4.277 -29.174 758 HD1 PHE 99 HD2 PHE 99 7.675 -4.235 -28.666 759 HD2 PHE 99 HD1 PHE 99 5.507 -1.896 -31.486 760 HE1 PHE 99 HE2 PHE 99 9.423 -2.506 -28.571 761 HE2 PHE 99 HE1 PHE 99 7.252 -0.164 -31.396 762 HZ PHE 99 HZ PHE 99 9.212 -0.467 -29.936 763 H ARG 100 H ARG 100 3.629 -6.553 -30.938 764 HA ARG 100 HA ARG 100 2.949 -7.650 -28.470 765 HB2 ARG 100 2HB ARG 100 1.251 -7.255 -30.123 766 HB3 ARG 100 3HB ARG 100 2.023 -8.359 -31.254 767 HG2 ARG 100 2HG ARG 100 1.568 -10.207 -29.634 768 HG3 ARG 100 3HG ARG 100 0.621 -9.057 -28.687 769 HD2 ARG 100 2HD ARG 100 -1.131 -9.281 -30.039 770 HD3 ARG 100 3HD ARG 100 -0.141 -8.973 -31.465 771 HE ARG 100 HE ARG 100 0.123 -11.633 -30.393 772 HH11 ARG 100 1HH1 ARG 100 -1.644 -9.562 -32.562 773 HH12 ARG 100 2HH1 ARG 100 -2.201 -10.864 -33.560 774 HH21 ARG 100 1HH2 ARG 100 -0.604 -13.356 -31.699 775 HH22 ARG 100 2HH2 ARG 100 -1.610 -13.021 -33.068 776 H LYS 101 H LYS 101 5.000 -8.861 -30.968 777 HA LYS 101 HA LYS 101 4.888 -11.616 -30.230 778 HB2 LYS 101 2HB LYS 101 5.594 -11.099 -32.449 779 HB3 LYS 101 3HB LYS 101 6.843 -10.006 -31.868 780 HG2 LYS 101 2HG LYS 101 7.010 -12.831 -31.000 781 HG3 LYS 101 3HG LYS 101 7.366 -12.475 -32.692 782 HD2 LYS 101 2HD LYS 101 8.668 -10.539 -31.051 783 HD3 LYS 101 3HD LYS 101 9.047 -12.150 -30.437 784 HE2 LYS 101 2HE LYS 101 9.171 -11.849 -33.362 785 HE3 LYS 101 3HE LYS 101 10.374 -10.930 -32.459 786 HZ1 LYS 101 3HZ LYS 101 9.957 -13.750 -31.773 787 HZ2 LYS 101 1HZ LYS 101 11.363 -12.814 -31.675 788 HZ3 LYS 101 2HZ LYS 101 10.829 -13.383 -33.175 789 H THR 102 H THR 102 6.514 -8.858 -28.994 790 HA THR 102 HA THR 102 8.271 -10.577 -27.368 791 HB THR 102 HB THR 102 9.494 -8.956 -28.761 792 HG1 THR 102 HG1 THR 102 10.710 -8.073 -27.017 793 HG21 THR 102 3HG2 THR 102 7.823 -6.952 -27.255 794 HG22 THR 102 1HG2 THR 102 7.961 -7.159 -29.000 795 HG23 THR 102 2HG2 THR 102 9.323 -6.523 -28.078 796 H TYR 103 H TYR 103 5.535 -8.607 -27.289 797 HA TYR 103 HA TYR 103 5.776 -7.463 -24.711 798 HB2 TYR 103 2HB TYR 103 3.555 -7.925 -26.642 799 HB3 TYR 103 3HB TYR 103 3.125 -7.579 -24.971 800 HD1 TYR 103 HD1 TYR 103 6.126 -6.170 -26.556 801 HD2 TYR 103 HD2 TYR 103 2.072 -5.469 -25.469 802 HE1 TYR 103 HE1 TYR 103 6.434 -3.767 -26.979 803 HE2 TYR 103 HE2 TYR 103 2.369 -3.064 -25.890 804 HH TYR 103 HH TYR 103 5.238 -1.801 -27.391 805 H LEU 104 H LEU 104 3.960 -10.322 -25.831 806 HA LEU 104 HA LEU 104 3.286 -11.161 -23.193 807 HB2 LEU 104 2HB LEU 104 2.454 -13.177 -24.249 808 HB3 LEU 104 3HB LEU 104 1.928 -11.746 -25.132 809 HG LEU 104 HG LEU 104 4.312 -12.623 -26.358 810 HD11 LEU 104 1HD1 LEU 104 4.002 -14.779 -25.269 811 HD12 LEU 104 2HD1 LEU 104 3.732 -14.905 -27.007 812 HD13 LEU 104 3HD1 LEU 104 2.358 -14.874 -25.902 813 HD21 LEU 104 3HD2 LEU 104 2.190 -11.503 -27.262 814 HD22 LEU 104 1HD2 LEU 104 1.541 -13.138 -27.384 815 HD23 LEU 104 2HD2 LEU 104 2.993 -12.697 -28.283 816 H ASP 105 H ASP 105 5.872 -11.921 -25.442 817 HA ASP 105 HA ASP 105 6.898 -14.195 -24.157 818 HB2 ASP 105 2HB ASP 105 8.065 -12.136 -26.000 819 HB3 ASP 105 3HB ASP 105 9.111 -13.345 -25.260 820 H LEU 106 H LEU 106 7.773 -10.765 -23.816 821 HA LEU 106 HA LEU 106 9.776 -11.130 -21.881 822 HB2 LEU 106 2HB LEU 106 9.647 -9.066 -23.057 823 HB3 LEU 106 3HB LEU 106 7.992 -8.791 -22.515 824 HG LEU 106 HG LEU 106 10.020 -8.989 -20.382 825 HD11 LEU 106 1HD1 LEU 106 11.081 -6.960 -20.748 826 HD12 LEU 106 2HD1 LEU 106 9.890 -6.436 -21.939 827 HD13 LEU 106 3HD1 LEU 106 11.059 -7.690 -22.354 828 HD21 LEU 106 3HD2 LEU 106 8.324 -8.070 -19.289 829 HD22 LEU 106 1HD2 LEU 106 7.396 -7.968 -20.785 830 HD23 LEU 106 2HD2 LEU 106 8.446 -6.634 -20.307 831 H ALA 107 H ALA 107 6.364 -11.312 -21.665 832 HA ALA 107 HA ALA 107 6.459 -11.104 -18.733 833 HB1 ALA 107 1HB ALA 107 4.461 -10.125 -18.802 834 HB2 ALA 107 2HB ALA 107 4.680 -10.007 -20.549 835 HB3 ALA 107 3HB ALA 107 3.804 -11.374 -19.860 836 H ARG 108 H ARG 108 7.272 -13.422 -20.479 837 HA ARG 108 HA ARG 108 5.507 -15.433 -19.245 838 HB2 ARG 108 2HB ARG 108 5.954 -15.022 -21.984 839 HB3 ARG 108 3HB ARG 108 6.902 -16.443 -21.565 840 HG2 ARG 108 2HG ARG 108 3.974 -16.098 -20.959 841 HG3 ARG 108 3HG ARG 108 4.625 -16.977 -22.344 842 HD2 ARG 108 2HD ARG 108 5.251 -18.750 -21.091 843 HD3 ARG 108 3HD ARG 108 5.701 -17.749 -19.712 844 HE ARG 108 HE ARG 108 3.018 -17.573 -19.703 845 HH11 ARG 108 1HH1 ARG 108 5.194 -20.284 -19.890 846 HH12 ARG 108 2HH1 ARG 108 4.111 -21.375 -19.090 847 HH21 ARG 108 1HH2 ARG 108 1.584 -19.000 -18.648 848 HH22 ARG 108 2HH2 ARG 108 2.058 -20.644 -18.385 849 H GLN 109 H GLN 109 8.758 -14.925 -20.609 850 HA GLN 109 HA GLN 109 9.894 -17.168 -19.273 851 HB2 GLN 109 2HB GLN 109 10.964 -16.436 -21.265 852 HB3 GLN 109 3HB GLN 109 11.094 -14.785 -20.673 853 HG2 GLN 109 2HG GLN 109 12.693 -15.527 -18.975 854 HG3 GLN 109 3HG GLN 109 12.576 -17.173 -19.596 855 HE21 GLN 109 1HE2 GLN 109 14.971 -15.756 -19.417 856 HE22 GLN 109 2HE2 GLN 109 15.562 -15.468 -21.014 857 H SER 110 H SER 110 9.585 -13.754 -18.531 858 HA SER 110 HA SER 110 11.098 -14.141 -16.046 859 HB2 SER 110 2HB SER 110 10.703 -11.895 -17.868 860 HB3 SER 110 3HB SER 110 10.428 -11.453 -16.184 861 HG SER 110 HG SER 110 12.483 -11.756 -15.756 862 H GLY 111 H GLY 111 7.930 -13.890 -17.252 863 HA2 GLY 111 2HA GLY 111 6.898 -13.227 -14.566 864 HA3 GLY 111 3HA GLY 111 6.026 -12.934 -16.063 Start of MODEL 20 1 H1 MET 1 H MET 1 9.632 -0.190 -3.475 2 HA MET 1 HA MET 1 11.415 0.066 -5.708 3 HB2 MET 1 2HB MET 1 12.504 -0.341 -2.930 4 HB3 MET 1 3HB MET 1 13.377 -0.885 -4.357 5 HG2 MET 1 2HG MET 1 13.079 1.553 -5.167 6 HG3 MET 1 3HG MET 1 12.754 1.896 -3.470 7 HE1 MET 1 3HE MET 1 14.535 0.341 -1.690 8 HE2 MET 1 1HE MET 1 16.059 1.229 -1.682 9 HE3 MET 1 2HE MET 1 14.528 2.104 -1.652 10 H SER 2 H SER 2 10.551 -1.613 -6.779 11 HA SER 2 HA SER 2 10.040 -3.755 -7.350 12 HB2 SER 2 2HB SER 2 11.587 -4.706 -4.946 13 HB3 SER 2 3HB SER 2 11.375 -5.507 -6.503 14 HG SER 2 HG SER 2 13.460 -4.417 -6.099 15 H LYS 3 H LYS 3 8.959 -5.799 -6.510 16 HA LYS 3 HA LYS 3 7.685 -5.828 -3.993 17 HB2 LYS 3 2HB LYS 3 6.425 -4.206 -6.019 18 HB3 LYS 3 3HB LYS 3 5.381 -5.553 -5.583 19 HG2 LYS 3 2HG LYS 3 4.787 -4.537 -3.711 20 HG3 LYS 3 3HG LYS 3 6.473 -4.396 -3.208 21 HD2 LYS 3 2HD LYS 3 6.627 -2.373 -4.710 22 HD3 LYS 3 3HD LYS 3 4.873 -2.467 -4.881 23 HE2 LYS 3 2HE LYS 3 5.812 -2.580 -2.111 24 HE3 LYS 3 3HE LYS 3 6.207 -1.075 -2.939 25 HZ1 LYS 3 3HZ LYS 3 3.604 -2.158 -2.193 26 HZ2 LYS 3 1HZ LYS 3 3.686 -1.316 -3.658 27 HZ3 LYS 3 2HZ LYS 3 4.142 -0.554 -2.218 28 H ASN 4 H ASN 4 5.621 -7.365 -4.179 29 HA ASN 4 HA ASN 4 6.560 -9.860 -5.001 30 HB2 ASN 4 2HB ASN 4 4.119 -10.559 -4.752 31 HB3 ASN 4 3HB ASN 4 4.873 -9.828 -3.339 32 HD21 ASN 4 1HD2 ASN 4 2.298 -9.711 -5.500 33 HD22 ASN 4 2HD2 ASN 4 1.614 -8.207 -4.994 34 H GLU 5 H GLU 5 7.101 -10.242 -7.067 35 HA GLU 5 HA GLU 5 5.590 -9.185 -9.272 36 HB2 GLU 5 2HB GLU 5 7.191 -10.355 -10.680 37 HB3 GLU 5 3HB GLU 5 8.030 -9.483 -9.405 38 HG2 GLU 5 2HG GLU 5 7.877 -11.784 -8.161 39 HG3 GLU 5 3HG GLU 5 7.696 -12.411 -9.798 40 H ARG 6 H ARG 6 5.701 -12.163 -7.481 41 HA ARG 6 HA ARG 6 3.248 -13.071 -8.569 42 HB2 ARG 6 2HB ARG 6 3.935 -14.973 -9.823 43 HB3 ARG 6 3HB ARG 6 4.852 -13.606 -10.442 44 HG2 ARG 6 2HG ARG 6 6.576 -14.495 -8.593 45 HG3 ARG 6 3HG ARG 6 5.767 -16.009 -9.004 46 HD2 ARG 6 2HD ARG 6 6.301 -15.709 -11.338 47 HD3 ARG 6 3HD ARG 6 6.988 -14.118 -11.010 48 HE ARG 6 HE ARG 6 8.280 -16.157 -9.499 49 HH11 ARG 6 1HH1 ARG 6 8.102 -14.714 -12.662 50 HH12 ARG 6 2HH1 ARG 6 9.720 -15.155 -13.097 51 HH21 ARG 6 1HH2 ARG 6 10.412 -16.742 -10.059 52 HH22 ARG 6 2HH2 ARG 6 11.033 -16.309 -11.616 53 H ASP 7 H ASP 7 2.294 -14.431 -7.168 54 HA ASP 7 HA ASP 7 3.914 -16.042 -5.359 55 HB2 ASP 7 2HB ASP 7 3.532 -13.802 -4.264 56 HB3 ASP 7 3HB ASP 7 1.808 -14.166 -4.275 57 H THR 8 H THR 8 2.216 -16.733 -7.534 58 HA THR 8 HA THR 8 0.467 -18.083 -8.108 59 HB THR 8 HB THR 8 0.194 -20.054 -6.828 60 HG1 THR 8 HG1 THR 8 -0.194 -19.633 -4.773 61 HG21 THR 8 3HG2 THR 8 2.967 -19.247 -6.019 62 HG22 THR 8 1HG2 THR 8 2.549 -19.472 -7.717 63 HG23 THR 8 2HG2 THR 8 2.387 -20.813 -6.584 64 H SER 9 H SER 9 -0.394 -15.609 -7.209 65 HA SER 9 HA SER 9 -3.101 -16.141 -6.594 66 HB2 SER 9 2HB SER 9 -1.293 -15.393 -4.341 67 HB3 SER 9 3HB SER 9 -2.905 -14.678 -4.381 68 HG SER 9 HG SER 9 -2.133 -17.323 -3.988 69 H PHE 10 H PHE 10 -0.544 -13.694 -6.268 70 HA PHE 10 HA PHE 10 -2.284 -11.818 -7.725 71 HB2 PHE 10 2HB PHE 10 -0.336 -10.961 -5.587 72 HB3 PHE 10 3HB PHE 10 -1.600 -10.002 -6.350 73 HD1 PHE 10 HD2 PHE 10 -3.914 -11.776 -6.188 74 HD2 PHE 10 HD1 PHE 10 -0.850 -11.005 -3.336 75 HE1 PHE 10 HE2 PHE 10 -5.461 -12.371 -4.370 76 HE2 PHE 10 HE1 PHE 10 -2.392 -11.600 -1.513 77 HZ PHE 10 HZ PHE 10 -4.701 -12.283 -2.029 78 H ASN 11 H ASN 11 -1.425 -11.320 -9.620 79 HA ASN 11 HA ASN 11 1.490 -11.476 -9.945 80 HB2 ASN 11 2HB ASN 11 -0.806 -12.084 -11.676 81 HB3 ASN 11 3HB ASN 11 0.481 -11.189 -12.479 82 HD21 ASN 11 1HD2 ASN 11 2.587 -12.102 -12.531 83 HD22 ASN 11 2HD2 ASN 11 2.805 -13.811 -12.402 84 H LYS 12 H LYS 12 1.726 -9.381 -8.905 85 HA LYS 12 HA LYS 12 0.580 -7.018 -9.934 86 HB2 LYS 12 2HB LYS 12 1.625 -7.220 -7.688 87 HB3 LYS 12 3HB LYS 12 3.202 -7.329 -8.459 88 HG2 LYS 12 2HG LYS 12 3.061 -5.099 -9.257 89 HG3 LYS 12 3HG LYS 12 1.359 -4.979 -8.806 90 HD2 LYS 12 2HD LYS 12 2.128 -5.380 -6.413 91 HD3 LYS 12 3HD LYS 12 3.766 -5.091 -7.004 92 HE2 LYS 12 2HE LYS 12 3.451 -2.889 -6.988 93 HE3 LYS 12 3HE LYS 12 1.972 -3.040 -7.936 94 HZ1 LYS 12 3HZ LYS 12 2.311 -2.859 -5.038 95 HZ2 LYS 12 1HZ LYS 12 1.037 -3.810 -5.617 96 HZ3 LYS 12 2HZ LYS 12 1.127 -2.173 -6.032 97 H ASN 13 H ASN 13 3.461 -8.830 -10.777 98 HA ASN 13 HA ASN 13 4.801 -6.926 -12.308 99 HB2 ASN 13 2HB ASN 13 5.914 -8.972 -11.769 100 HB3 ASN 13 3HB ASN 13 4.666 -9.933 -12.557 101 HD21 ASN 13 1HD2 ASN 13 6.352 -7.025 -13.652 102 HD22 ASN 13 2HD2 ASN 13 7.029 -7.741 -15.071 103 H GLY 14 H GLY 14 2.059 -8.972 -13.091 104 HA2 GLY 14 2HA GLY 14 2.094 -8.524 -15.898 105 HA3 GLY 14 3HA GLY 14 0.726 -9.106 -14.960 106 H CYS 15 H CYS 15 0.503 -6.872 -13.211 107 HA CYS 15 HA CYS 15 -1.077 -5.164 -14.842 108 HB2 CYS 15 2HB CYS 15 -1.647 -5.636 -12.499 109 HB3 CYS 15 3HB CYS 15 -0.183 -4.814 -11.973 110 HG CYS 15 HG CYS 15 -1.687 -2.765 -11.447 111 H LEU 16 H LEU 16 2.041 -4.772 -13.204 112 HA LEU 16 HA LEU 16 2.431 -2.067 -13.909 113 HB2 LEU 16 2HB LEU 16 3.692 -3.054 -12.123 114 HB3 LEU 16 3HB LEU 16 4.386 -4.251 -13.215 115 HG LEU 16 HG LEU 16 5.189 -1.882 -14.345 116 HD11 LEU 16 1HD1 LEU 16 4.867 -1.530 -11.406 117 HD12 LEU 16 2HD1 LEU 16 4.665 -0.365 -12.714 118 HD13 LEU 16 3HD1 LEU 16 6.284 -0.840 -12.199 119 HD21 LEU 16 3HD2 LEU 16 6.961 -3.231 -14.271 120 HD22 LEU 16 1HD2 LEU 16 6.348 -4.088 -12.857 121 HD23 LEU 16 2HD2 LEU 16 7.260 -2.592 -12.654 122 H VAL 17 H VAL 17 3.513 -5.092 -15.419 123 HA VAL 17 HA VAL 17 4.948 -3.856 -17.528 124 HB VAL 17 HB VAL 17 5.214 -6.245 -16.776 125 HG11 VAL 17 1HG1 VAL 17 2.729 -6.656 -18.436 126 HG12 VAL 17 2HG1 VAL 17 3.727 -7.925 -17.723 127 HG13 VAL 17 3HG1 VAL 17 2.832 -6.816 -16.683 128 HG21 VAL 17 3HG2 VAL 17 4.713 -5.880 -19.728 129 HG22 VAL 17 1HG2 VAL 17 6.163 -5.345 -18.879 130 HG23 VAL 17 2HG2 VAL 17 5.780 -7.064 -18.973 131 H PHE 18 H PHE 18 1.607 -4.859 -17.136 132 HA PHE 18 HA PHE 18 0.829 -4.659 -19.840 133 HB2 PHE 18 2HB PHE 18 -0.520 -5.824 -18.144 134 HB3 PHE 18 3HB PHE 18 -0.842 -4.288 -17.345 135 HD1 PHE 18 HD1 PHE 18 -0.872 -5.187 -20.956 136 HD2 PHE 18 HD2 PHE 18 -3.106 -3.900 -17.570 137 HE1 PHE 18 HE1 PHE 18 -2.848 -4.864 -22.387 138 HE2 PHE 18 HE2 PHE 18 -5.086 -3.576 -18.995 139 HZ PHE 18 HZ PHE 18 -4.959 -4.059 -21.406 140 H VAL 19 H VAL 19 0.258 -2.381 -17.152 141 HA VAL 19 HA VAL 19 -0.747 -0.295 -18.726 142 HB VAL 19 HB VAL 19 -1.056 -0.295 -16.325 143 HG11 VAL 19 1HG1 VAL 19 1.373 -1.229 -16.014 144 HG12 VAL 19 2HG1 VAL 19 1.782 0.479 -15.841 145 HG13 VAL 19 3HG1 VAL 19 0.613 -0.265 -14.748 146 HG21 VAL 19 3HG2 VAL 19 -0.686 1.881 -17.788 147 HG22 VAL 19 1HG2 VAL 19 -0.967 1.969 -16.050 148 HG23 VAL 19 2HG2 VAL 19 0.673 2.095 -16.685 149 H SER 20 H SER 20 2.554 -0.980 -17.631 150 HA SER 20 HA SER 20 3.779 1.340 -18.593 151 HB2 SER 20 2HB SER 20 4.773 -1.441 -18.038 152 HB3 SER 20 3HB SER 20 5.847 -0.234 -18.745 153 HG SER 20 HG SER 20 5.486 1.076 -16.942 154 H ARG 21 H ARG 21 3.358 -1.824 -20.161 155 HA ARG 21 HA ARG 21 4.607 -1.088 -22.592 156 HB2 ARG 21 2HB ARG 21 2.672 -3.293 -21.887 157 HB3 ARG 21 3HB ARG 21 3.362 -3.110 -23.494 158 HG2 ARG 21 2HG ARG 21 5.020 -3.413 -21.005 159 HG3 ARG 21 3HG ARG 21 4.512 -4.767 -22.016 160 HD2 ARG 21 2HD ARG 21 6.169 -4.381 -23.444 161 HD3 ARG 21 3HD ARG 21 5.651 -2.709 -23.652 162 HE ARG 21 HE ARG 21 7.003 -2.804 -21.248 163 HH11 ARG 21 1HH1 ARG 21 7.710 -3.439 -24.597 164 HH12 ARG 21 2HH1 ARG 21 9.382 -3.009 -24.461 165 HH21 ARG 21 1HH2 ARG 21 9.204 -2.235 -21.056 166 HH22 ARG 21 2HH2 ARG 21 10.232 -2.325 -22.446 167 H LEU 22 H LEU 22 1.280 -0.958 -21.449 168 HA LEU 22 HA LEU 22 0.003 -0.418 -23.876 169 HB2 LEU 22 2HB LEU 22 -0.630 0.282 -21.030 170 HB3 LEU 22 3HB LEU 22 -1.669 0.806 -22.354 171 HG LEU 22 HG LEU 22 -0.996 -2.092 -21.970 172 HD11 LEU 22 1HD1 LEU 22 -2.094 -2.131 -20.041 173 HD12 LEU 22 2HD1 LEU 22 -3.545 -1.664 -20.928 174 HD13 LEU 22 3HD1 LEU 22 -2.530 -0.428 -20.185 175 HD21 LEU 22 3HD2 LEU 22 -3.639 -1.269 -22.905 176 HD22 LEU 22 1HD2 LEU 22 -2.515 -2.453 -23.572 177 HD23 LEU 22 2HD2 LEU 22 -2.318 -0.741 -23.948 178 H TRP 23 H TRP 23 1.387 1.804 -21.476 179 HA TRP 23 HA TRP 23 0.669 4.209 -22.671 180 HB2 TRP 23 2HB TRP 23 2.905 3.374 -20.865 181 HB3 TRP 23 3HB TRP 23 2.926 4.991 -21.563 182 HD1 TRP 23 HD1 TRP 23 -0.434 3.492 -20.603 183 HE1 TRP 23 HE1 TRP 23 -1.370 4.768 -18.573 184 HE3 TRP 23 HE3 TRP 23 3.672 6.313 -19.455 185 HZ2 TRP 23 HZ2 TRP 23 -0.484 6.713 -16.729 186 HZ3 TRP 23 HZ3 TRP 23 3.545 7.857 -17.543 187 HH2 TRP 23 HH2 TRP 23 1.509 8.052 -16.210 188 H ASP 24 H ASP 24 3.483 2.146 -23.258 189 HA ASP 24 HA ASP 24 4.767 3.890 -25.081 190 HB2 ASP 24 2HB ASP 24 5.099 1.119 -24.161 191 HB3 ASP 24 3HB ASP 24 5.623 1.393 -25.820 192 H LEU 25 H LEU 25 2.691 1.043 -25.582 193 HA LEU 25 HA LEU 25 2.704 1.063 -28.373 194 HB2 LEU 25 2HB LEU 25 1.829 -0.858 -27.441 195 HB3 LEU 25 3HB LEU 25 0.822 0.032 -26.300 196 HG LEU 25 HG LEU 25 -0.652 0.677 -28.199 197 HD11 LEU 25 1HD1 LEU 25 -0.455 -0.474 -30.311 198 HD12 LEU 25 2HD1 LEU 25 0.975 -1.335 -29.744 199 HD13 LEU 25 3HD1 LEU 25 1.033 0.412 -29.979 200 HD21 LEU 25 3HD2 LEU 25 -0.592 -1.638 -26.741 201 HD22 LEU 25 1HD2 LEU 25 -0.693 -2.237 -28.397 202 HD23 LEU 25 2HD2 LEU 25 -1.916 -1.122 -27.787 203 H ASP 26 H ASP 26 0.975 3.031 -26.091 204 HA ASP 26 HA ASP 26 -0.992 4.007 -27.916 205 HB2 ASP 26 2HB ASP 26 -1.583 4.191 -25.647 206 HB3 ASP 26 3HB ASP 26 -0.028 4.892 -25.207 207 H LYS 27 H LYS 27 0.143 4.669 -29.759 208 HA LYS 27 HA LYS 27 2.109 6.798 -29.503 209 HB2 LYS 27 2HB LYS 27 1.080 5.182 -31.827 210 HB3 LYS 27 3HB LYS 27 2.112 6.587 -32.061 211 HG2 LYS 27 2HG LYS 27 2.937 4.355 -30.245 212 HG3 LYS 27 3HG LYS 27 3.195 4.261 -31.988 213 HD2 LYS 27 2HD LYS 27 5.086 5.396 -31.680 214 HD3 LYS 27 3HD LYS 27 4.098 6.797 -31.260 215 HE2 LYS 27 2HE LYS 27 4.216 6.291 -28.944 216 HE3 LYS 27 3HE LYS 27 4.905 4.699 -29.259 217 HZ1 LYS 27 3HZ LYS 27 6.845 5.711 -28.890 218 HZ2 LYS 27 1HZ LYS 27 6.204 7.263 -29.097 219 HZ3 LYS 27 2HZ LYS 27 6.673 6.355 -30.445 220 H LEU 28 H LEU 28 -1.222 6.344 -30.416 221 HA LEU 28 HA LEU 28 -1.682 8.691 -31.850 222 HB2 LEU 28 2HB LEU 28 -3.915 8.232 -31.642 223 HB3 LEU 28 3HB LEU 28 -3.212 6.646 -31.328 224 HG LEU 28 HG LEU 28 -3.383 7.531 -28.812 225 HD11 LEU 28 1HD1 LEU 28 -5.794 8.576 -28.811 226 HD12 LEU 28 2HD1 LEU 28 -5.300 9.163 -30.398 227 HD13 LEU 28 3HD1 LEU 28 -4.361 9.592 -28.969 228 HD21 LEU 28 3HD2 LEU 28 -4.360 5.471 -29.900 229 HD22 LEU 28 1HD2 LEU 28 -5.795 6.438 -30.240 230 HD23 LEU 28 2HD2 LEU 28 -5.295 6.159 -28.572 231 H GLY 29 H GLY 29 -1.240 8.162 -28.445 232 HA2 GLY 29 2HA GLY 29 -0.425 10.338 -27.392 233 HA3 GLY 29 3HA GLY 29 -1.983 10.966 -27.909 234 H MET 30 H MET 30 -3.585 8.739 -27.296 235 HA MET 30 HA MET 30 -3.178 7.930 -24.584 236 HB2 MET 30 2HB MET 30 -4.556 10.412 -25.080 237 HB3 MET 30 3HB MET 30 -5.653 9.248 -24.348 238 HG2 MET 30 2HG MET 30 -3.900 8.872 -22.586 239 HG3 MET 30 3HG MET 30 -3.042 10.255 -23.260 240 HE1 MET 30 3HE MET 30 -3.836 12.270 -20.586 241 HE2 MET 30 1HE MET 30 -2.843 11.834 -21.977 242 HE3 MET 30 2HE MET 30 -4.071 13.091 -22.130 243 H PHE 31 H PHE 31 -3.618 5.863 -25.224 244 HA PHE 31 HA PHE 31 -6.326 5.356 -26.269 245 HB2 PHE 31 2HB PHE 31 -4.200 4.742 -27.664 246 HB3 PHE 31 3HB PHE 31 -4.091 3.378 -26.555 247 HD1 PHE 31 HD2 PHE 31 -6.941 5.064 -28.278 248 HD2 PHE 31 HD1 PHE 31 -4.795 1.455 -27.579 249 HE1 PHE 31 HE2 PHE 31 -8.577 3.831 -29.641 250 HE2 PHE 31 HE1 PHE 31 -6.427 0.216 -28.942 251 HZ PHE 31 HZ PHE 31 -8.322 1.404 -29.974 252 H HIS 32 H HIS 32 -7.652 4.465 -24.846 253 HA HIS 32 HA HIS 32 -7.126 2.154 -23.380 254 HB2 HIS 32 2HB HIS 32 -7.196 3.263 -21.052 255 HB3 HIS 32 3HB HIS 32 -5.665 3.265 -21.922 256 HD1 HIS 32 HD1 HIS 32 -8.539 5.687 -22.409 257 HD2 HIS 32 HD2 HIS 32 -4.609 5.627 -21.061 258 HE1 HIS 32 HE1 HIS 32 -7.924 8.095 -22.022 259 H HIS 33 H HIS 33 -9.214 2.733 -24.887 260 HA HIS 33 HA HIS 33 -11.412 2.701 -23.003 261 HB2 HIS 33 2HB HIS 33 -12.670 4.424 -24.417 262 HB3 HIS 33 3HB HIS 33 -11.424 5.037 -23.334 263 HD1 HIS 33 HD1 HIS 33 -12.326 4.748 -26.918 264 HD2 HIS 33 HD2 HIS 33 -9.091 6.002 -24.633 265 HE1 HIS 33 HE1 HIS 33 -10.839 6.018 -28.499 266 HA PRO 34 HA PRO 34 -13.114 -0.146 -25.875 267 HB2 PRO 34 2HB PRO 34 -15.776 0.248 -25.523 268 HB3 PRO 34 3HB PRO 34 -14.758 -0.557 -24.323 269 HG2 PRO 34 2HG PRO 34 -15.718 2.277 -24.397 270 HG3 PRO 34 3HG PRO 34 -15.636 1.160 -23.023 271 HD2 PRO 34 2HD PRO 34 -13.782 3.087 -23.446 272 HD3 PRO 34 3HD PRO 34 -13.384 1.527 -22.697 273 H VAL 35 H VAL 35 -13.900 -0.317 -27.953 274 HA VAL 35 HA VAL 35 -14.017 2.117 -29.478 275 HB VAL 35 HB VAL 35 -14.454 -0.741 -30.355 276 HG11 VAL 35 1HG1 VAL 35 -14.388 1.852 -31.821 277 HG12 VAL 35 2HG1 VAL 35 -13.731 0.412 -32.600 278 HG13 VAL 35 3HG1 VAL 35 -15.414 0.441 -32.072 279 HG21 VAL 35 3HG2 VAL 35 -12.159 -0.605 -31.199 280 HG22 VAL 35 1HG2 VAL 35 -12.009 1.018 -30.526 281 HG23 VAL 35 2HG2 VAL 35 -12.219 -0.366 -29.453 282 H SER 36 H SER 36 -15.754 2.964 -30.596 283 HA SER 36 HA SER 36 -18.340 2.446 -29.447 284 HB2 SER 36 2HB SER 36 -17.099 4.541 -31.054 285 HB3 SER 36 3HB SER 36 -18.741 4.172 -31.583 286 HG SER 36 HG SER 36 -17.872 4.978 -29.011 287 H ALA 37 H ALA 37 -20.038 1.396 -30.329 288 HA ALA 37 HA ALA 37 -19.597 -0.476 -32.397 289 HB1 ALA 37 1HB ALA 37 -21.360 -0.371 -30.419 290 HB2 ALA 37 2HB ALA 37 -22.376 0.293 -31.699 291 HB3 ALA 37 3HB ALA 37 -21.654 -1.305 -31.886 292 H GLU 38 H GLU 38 -21.030 2.729 -32.338 293 HA GLU 38 HA GLU 38 -22.370 2.784 -34.748 294 HB2 GLU 38 2HB GLU 38 -20.677 5.056 -33.707 295 HB3 GLU 38 3HB GLU 38 -22.105 5.169 -34.726 296 HG2 GLU 38 2HG GLU 38 -23.323 4.044 -32.751 297 HG3 GLU 38 3HG GLU 38 -21.916 4.538 -31.812 298 H GLU 39 H GLU 39 -18.913 3.150 -34.137 299 HA GLU 39 HA GLU 39 -18.381 3.501 -36.981 300 HB2 GLU 39 2HB GLU 39 -17.197 4.762 -35.058 301 HB3 GLU 39 3HB GLU 39 -16.288 3.274 -34.835 302 HG2 GLU 39 2HG GLU 39 -15.645 3.433 -37.261 303 HG3 GLU 39 3HG GLU 39 -16.348 5.049 -37.256 304 H LEU 40 H LEU 40 -18.115 1.096 -34.468 305 HA LEU 40 HA LEU 40 -17.013 -0.791 -36.445 306 HB2 LEU 40 2HB LEU 40 -16.505 -0.476 -33.516 307 HB3 LEU 40 3HB LEU 40 -16.316 -2.054 -34.278 308 HG LEU 40 HG LEU 40 -14.175 -0.926 -34.074 309 HD11 LEU 40 1HD1 LEU 40 -13.408 -1.224 -36.301 310 HD12 LEU 40 2HD1 LEU 40 -15.011 -0.908 -36.965 311 HD13 LEU 40 3HD1 LEU 40 -14.713 -2.384 -36.047 312 HD21 LEU 40 3HD2 LEU 40 -13.779 1.217 -34.622 313 HD22 LEU 40 1HD2 LEU 40 -15.530 1.384 -34.494 314 HD23 LEU 40 2HD2 LEU 40 -14.781 1.140 -36.072 315 HA PRO 41 HA PRO 41 -21.268 -2.224 -35.338 316 HB2 PRO 41 2HB PRO 41 -21.914 -2.965 -37.868 317 HB3 PRO 41 3HB PRO 41 -22.123 -1.316 -37.267 318 HG2 PRO 41 2HG PRO 41 -19.917 -2.459 -38.938 319 HG3 PRO 41 3HG PRO 41 -20.760 -0.908 -39.107 320 HD2 PRO 41 2HD PRO 41 -18.317 -1.120 -37.959 321 HD3 PRO 41 3HD PRO 41 -19.506 0.097 -37.454 322 H ASP 42 H ASP 42 -18.473 -3.597 -36.800 323 HA ASP 42 HA ASP 42 -19.541 -6.312 -36.399 324 HB2 ASP 42 2HB ASP 42 -18.149 -7.104 -38.094 325 HB3 ASP 42 3HB ASP 42 -18.644 -5.529 -38.707 326 H TYR 43 H TYR 43 -18.253 -4.346 -34.468 327 HA TYR 43 HA TYR 43 -15.691 -5.227 -33.762 328 HB2 TYR 43 2HB TYR 43 -17.187 -3.210 -32.911 329 HB3 TYR 43 3HB TYR 43 -17.587 -4.349 -31.629 330 HD1 TYR 43 HD2 TYR 43 -14.412 -3.545 -33.437 331 HD2 TYR 43 HD1 TYR 43 -16.438 -3.812 -29.705 332 HE1 TYR 43 HE2 TYR 43 -12.328 -2.956 -32.270 333 HE2 TYR 43 HE1 TYR 43 -14.360 -3.223 -28.528 334 HH TYR 43 HH TYR 43 -12.113 -3.002 -28.756 335 H HIS 44 H HIS 44 -18.877 -6.457 -32.951 336 HA HIS 44 HA HIS 44 -18.240 -8.156 -30.847 337 HB2 HIS 44 2HB HIS 44 -20.407 -7.945 -32.822 338 HB3 HIS 44 3HB HIS 44 -20.164 -9.570 -32.189 339 HD1 HIS 44 HD1 HIS 44 -21.141 -6.107 -31.120 340 HD2 HIS 44 HD2 HIS 44 -20.937 -9.948 -29.549 341 HE1 HIS 44 HE1 HIS 44 -22.357 -6.000 -28.921 342 H THR 45 H THR 45 -17.947 -8.656 -34.326 343 HA THR 45 HA THR 45 -17.011 -11.378 -33.981 344 HB THR 45 HB THR 45 -16.643 -10.133 -36.621 345 HG1 THR 45 HG1 THR 45 -19.288 -10.528 -35.643 346 HG21 THR 45 3HG2 THR 45 -16.458 -12.445 -36.625 347 HG22 THR 45 1HG2 THR 45 -18.123 -12.207 -37.153 348 HG23 THR 45 2HG2 THR 45 -17.784 -12.655 -35.481 349 H VAL 46 H VAL 46 -15.681 -8.209 -34.291 350 HA VAL 46 HA VAL 46 -13.095 -8.988 -35.223 351 HB VAL 46 HB VAL 46 -13.979 -6.463 -33.820 352 HG11 VAL 46 1HG1 VAL 46 -11.406 -7.124 -35.245 353 HG12 VAL 46 2HG1 VAL 46 -11.892 -5.499 -34.757 354 HG13 VAL 46 3HG1 VAL 46 -11.607 -6.740 -33.536 355 HG21 VAL 46 3HG2 VAL 46 -14.670 -5.678 -35.798 356 HG22 VAL 46 1HG2 VAL 46 -13.263 -6.325 -36.642 357 HG23 VAL 46 2HG2 VAL 46 -14.656 -7.360 -36.328 358 H ILE 47 H ILE 47 -14.330 -7.978 -32.036 359 HA ILE 47 HA ILE 47 -12.109 -9.475 -30.811 360 HB ILE 47 HB ILE 47 -11.508 -7.220 -30.459 361 HG12 ILE 47 2HG1 ILE 47 -11.668 -6.954 -28.042 362 HG13 ILE 47 3HG1 ILE 47 -13.027 -8.072 -27.984 363 HG21 ILE 47 1HG2 ILE 47 -13.587 -6.166 -31.122 364 HG22 ILE 47 2HG2 ILE 47 -14.364 -6.714 -29.637 365 HG23 ILE 47 3HG2 ILE 47 -13.059 -5.531 -29.564 366 HD11 ILE 47 3HD1 ILE 47 -10.633 -9.183 -29.231 367 HD12 ILE 47 1HD1 ILE 47 -10.425 -8.727 -27.540 368 HD13 ILE 47 2HD1 ILE 47 -11.697 -9.861 -27.998 369 H LYS 48 H LYS 48 -15.404 -8.258 -30.476 370 HA LYS 48 HA LYS 48 -17.234 -9.198 -29.479 371 HB2 LYS 48 2HB LYS 48 -15.835 -11.384 -30.068 372 HB3 LYS 48 3HB LYS 48 -15.676 -11.458 -28.318 373 HG2 LYS 48 2HG LYS 48 -18.017 -11.620 -28.019 374 HG3 LYS 48 3HG LYS 48 -18.330 -11.202 -29.705 375 HD2 LYS 48 2HD LYS 48 -16.698 -13.620 -29.046 376 HD3 LYS 48 3HD LYS 48 -18.459 -13.690 -28.935 377 HE2 LYS 48 2HE LYS 48 -18.726 -13.230 -31.223 378 HE3 LYS 48 3HE LYS 48 -17.065 -12.665 -31.390 379 HZ1 LYS 48 3HZ LYS 48 -17.268 -15.386 -30.484 380 HZ2 LYS 48 1HZ LYS 48 -16.327 -14.727 -31.727 381 HZ3 LYS 48 2HZ LYS 48 -17.941 -15.143 -32.017 382 H ARG 49 H ARG 49 -14.393 -9.929 -27.443 383 HA ARG 49 HA ARG 49 -15.801 -9.166 -25.052 384 HB2 ARG 49 2HB ARG 49 -13.386 -10.581 -25.708 385 HB3 ARG 49 3HB ARG 49 -13.035 -9.335 -24.518 386 HG2 ARG 49 2HG ARG 49 -15.394 -11.082 -24.066 387 HG3 ARG 49 3HG ARG 49 -13.783 -11.756 -23.809 388 HD2 ARG 49 2HD ARG 49 -13.829 -9.200 -22.604 389 HD3 ARG 49 3HD ARG 49 -15.304 -10.034 -22.115 390 HE ARG 49 HE ARG 49 -12.670 -10.590 -21.225 391 HH11 ARG 49 1HH1 ARG 49 -15.681 -12.127 -22.057 392 HH12 ARG 49 2HH1 ARG 49 -15.421 -13.490 -21.020 393 HH21 ARG 49 1HH2 ARG 49 -12.317 -12.379 -19.856 394 HH22 ARG 49 2HH2 ARG 49 -13.508 -13.632 -19.767 395 HA PRO 50 HA PRO 50 -14.762 -4.849 -25.631 396 HB2 PRO 50 2HB PRO 50 -16.156 -3.971 -23.473 397 HB3 PRO 50 3HB PRO 50 -16.925 -4.389 -25.009 398 HG2 PRO 50 2HG PRO 50 -16.690 -6.013 -22.505 399 HG3 PRO 50 3HG PRO 50 -18.088 -5.804 -23.576 400 HD2 PRO 50 2HD PRO 50 -16.501 -7.996 -23.664 401 HD3 PRO 50 3HD PRO 50 -17.307 -7.342 -25.104 402 H VAL 51 H VAL 51 -13.033 -3.761 -24.918 403 HA VAL 51 HA VAL 51 -11.869 -4.549 -22.329 404 HB VAL 51 HB VAL 51 -10.361 -5.048 -24.131 405 HG11 VAL 51 1HG1 VAL 51 -11.317 -3.552 -25.814 406 HG12 VAL 51 2HG1 VAL 51 -10.639 -2.162 -24.964 407 HG13 VAL 51 3HG1 VAL 51 -9.568 -3.356 -25.698 408 HG21 VAL 51 3HG2 VAL 51 -9.198 -2.504 -23.106 409 HG22 VAL 51 1HG2 VAL 51 -9.619 -3.773 -21.956 410 HG23 VAL 51 2HG2 VAL 51 -8.465 -4.102 -23.249 411 H ASP 52 H ASP 52 -11.712 -3.085 -20.756 412 HA ASP 52 HA ASP 52 -11.978 -0.237 -21.454 413 HB2 ASP 52 2HB ASP 52 -14.054 -1.394 -20.408 414 HB3 ASP 52 3HB ASP 52 -13.126 -1.355 -18.912 415 H LEU 53 H LEU 53 -11.012 1.245 -19.949 416 HA LEU 53 HA LEU 53 -8.525 0.256 -18.903 417 HB2 LEU 53 2HB LEU 53 -8.692 2.425 -20.034 418 HB3 LEU 53 3HB LEU 53 -9.753 3.006 -18.752 419 HG LEU 53 HG LEU 53 -7.887 2.763 -17.147 420 HD11 LEU 53 1HD1 LEU 53 -6.347 1.259 -17.828 421 HD12 LEU 53 2HD1 LEU 53 -5.596 2.689 -18.536 422 HD13 LEU 53 3HD1 LEU 53 -6.583 1.624 -19.537 423 HD21 LEU 53 3HD2 LEU 53 -6.463 4.479 -18.880 424 HD22 LEU 53 1HD2 LEU 53 -7.585 4.914 -17.590 425 HD23 LEU 53 2HD2 LEU 53 -8.179 4.684 -19.235 426 H SER 54 H SER 54 -11.491 1.632 -17.538 427 HA SER 54 HA SER 54 -10.620 1.602 -14.845 428 HB2 SER 54 2HB SER 54 -12.496 2.992 -15.542 429 HB3 SER 54 3HB SER 54 -13.421 1.561 -15.995 430 HG SER 54 HG SER 54 -14.129 1.950 -13.998 431 H SER 55 H SER 55 -12.297 -0.742 -16.867 432 HA SER 55 HA SER 55 -13.050 -2.560 -14.877 433 HB2 SER 55 2HB SER 55 -12.333 -3.030 -17.779 434 HB3 SER 55 3HB SER 55 -13.069 -4.245 -16.733 435 HG SER 55 HG SER 55 -14.770 -3.302 -17.690 436 H ILE 56 H ILE 56 -10.010 -2.102 -16.571 437 HA ILE 56 HA ILE 56 -8.781 -4.501 -15.660 438 HB ILE 56 HB ILE 56 -7.618 -1.941 -16.748 439 HG12 ILE 56 2HG1 ILE 56 -8.924 -3.354 -18.310 440 HG13 ILE 56 3HG1 ILE 56 -7.223 -3.263 -18.751 441 HG21 ILE 56 1HG2 ILE 56 -5.940 -2.859 -15.323 442 HG22 ILE 56 2HG2 ILE 56 -6.223 -4.485 -15.942 443 HG23 ILE 56 3HG2 ILE 56 -5.503 -3.258 -16.984 444 HD11 ILE 56 3HD1 ILE 56 -7.708 -5.507 -17.019 445 HD12 ILE 56 1HD1 ILE 56 -8.765 -5.552 -18.430 446 HD13 ILE 56 2HD1 ILE 56 -7.016 -5.462 -18.641 447 H ARG 57 H ARG 57 -8.611 -1.118 -14.582 448 HA ARG 57 HA ARG 57 -6.811 -1.590 -12.453 449 HB2 ARG 57 2HB ARG 57 -7.220 0.642 -13.436 450 HB3 ARG 57 3HB ARG 57 -8.842 0.629 -12.757 451 HG2 ARG 57 2HG ARG 57 -7.430 1.964 -11.364 452 HG3 ARG 57 3HG ARG 57 -7.844 0.485 -10.495 453 HD2 ARG 57 2HD ARG 57 -5.715 -0.259 -10.485 454 HD3 ARG 57 3HD ARG 57 -5.386 0.354 -12.105 455 HE ARG 57 HE ARG 57 -5.605 2.536 -10.374 456 HH11 ARG 57 1HH1 ARG 57 -3.514 -0.187 -10.944 457 HH12 ARG 57 2HH1 ARG 57 -2.096 0.609 -10.346 458 HH21 ARG 57 1HH2 ARG 57 -3.747 3.596 -9.583 459 HH22 ARG 57 2HH2 ARG 57 -2.230 2.761 -9.571 460 H ASP 58 H ASP 58 -10.338 -1.506 -12.645 461 HA ASP 58 HA ASP 58 -10.744 -1.841 -9.838 462 HB2 ASP 58 2HB ASP 58 -12.469 -0.811 -11.207 463 HB3 ASP 58 3HB ASP 58 -12.610 -2.273 -12.179 464 H GLY 59 H GLY 59 -10.587 -4.014 -12.611 465 HA2 GLY 59 2HA GLY 59 -11.473 -6.347 -11.283 466 HA3 GLY 59 3HA GLY 59 -10.513 -6.305 -12.755 467 H ILE 60 H ILE 60 -8.194 -5.121 -11.915 468 HA ILE 60 HA ILE 60 -6.865 -7.282 -10.659 469 HB ILE 60 HB ILE 60 -5.927 -4.468 -11.220 470 HG12 ILE 60 2HG1 ILE 60 -6.440 -5.757 -13.227 471 HG13 ILE 60 3HG1 ILE 60 -4.699 -5.550 -13.072 472 HG21 ILE 60 1HG2 ILE 60 -4.665 -6.679 -9.770 473 HG22 ILE 60 2HG2 ILE 60 -3.671 -5.978 -11.047 474 HG23 ILE 60 3HG2 ILE 60 -4.299 -4.954 -9.756 475 HD11 ILE 60 3HD1 ILE 60 -5.166 -7.785 -13.779 476 HD12 ILE 60 1HD1 ILE 60 -4.565 -7.830 -12.122 477 HD13 ILE 60 2HD1 ILE 60 -6.290 -8.022 -12.441 478 H GLU 61 H GLU 61 -7.917 -4.106 -9.513 479 HA GLU 61 HA GLU 61 -6.705 -4.260 -6.966 480 HB2 GLU 61 2HB GLU 61 -7.716 -2.217 -8.194 481 HB3 GLU 61 3HB GLU 61 -9.244 -2.745 -7.503 482 HG2 GLU 61 2HG GLU 61 -7.833 -2.752 -5.275 483 HG3 GLU 61 3HG GLU 61 -6.857 -1.592 -6.174 484 H LYS 62 H LYS 62 -9.767 -5.392 -8.234 485 HA LYS 62 HA LYS 62 -10.765 -6.129 -5.616 486 HB2 LYS 62 2HB LYS 62 -11.856 -6.589 -8.396 487 HB3 LYS 62 3HB LYS 62 -12.676 -7.083 -6.921 488 HG2 LYS 62 2HG LYS 62 -11.883 -4.233 -7.417 489 HG3 LYS 62 3HG LYS 62 -13.411 -4.900 -7.996 490 HD2 LYS 62 2HD LYS 62 -14.007 -5.515 -5.700 491 HD3 LYS 62 3HD LYS 62 -12.480 -4.842 -5.124 492 HE2 LYS 62 2HE LYS 62 -14.203 -3.222 -4.751 493 HE3 LYS 62 3HE LYS 62 -13.175 -2.641 -6.059 494 HZ1 LYS 62 3HZ LYS 62 -14.867 -3.616 -7.611 495 HZ2 LYS 62 1HZ LYS 62 -15.392 -2.275 -6.722 496 HZ3 LYS 62 2HZ LYS 62 -15.879 -3.831 -6.274 497 H GLY 63 H GLY 63 -8.991 -7.574 -8.202 498 HA2 GLY 63 2HA GLY 63 -7.770 -9.572 -8.025 499 HA3 GLY 63 3HA GLY 63 -8.763 -10.031 -6.650 500 H THR 64 H THR 64 -10.210 -8.909 -9.609 501 HA THR 64 HA THR 64 -12.002 -10.960 -9.907 502 HB THR 64 HB THR 64 -12.102 -8.870 -11.209 503 HG1 THR 64 HG1 THR 64 -12.016 -11.126 -12.945 504 HG21 THR 64 3HG2 THR 64 -10.696 -8.396 -13.021 505 HG22 THR 64 1HG2 THR 64 -10.085 -10.048 -13.097 506 HG23 THR 64 2HG2 THR 64 -9.595 -8.988 -11.776 507 H TYR 65 H TYR 65 -8.647 -10.873 -10.884 508 HA TYR 65 HA TYR 65 -8.650 -13.068 -12.639 509 HB2 TYR 65 2HB TYR 65 -6.192 -13.200 -12.051 510 HB3 TYR 65 3HB TYR 65 -6.747 -11.636 -12.638 511 HD1 TYR 65 HD2 TYR 65 -6.312 -13.451 -9.397 512 HD2 TYR 65 HD1 TYR 65 -6.049 -9.759 -11.495 513 HE1 TYR 65 HE2 TYR 65 -5.397 -12.378 -7.382 514 HE2 TYR 65 HE1 TYR 65 -5.132 -8.676 -9.486 515 HH TYR 65 HH TYR 65 -4.451 -8.954 -7.393 516 H ALA 66 H ALA 66 -6.958 -14.961 -11.871 517 HA ALA 66 HA ALA 66 -7.977 -16.062 -9.344 518 HB1 ALA 66 1HB ALA 66 -9.137 -16.935 -11.492 519 HB2 ALA 66 2HB ALA 66 -7.647 -17.851 -11.718 520 HB3 ALA 66 3HB ALA 66 -8.616 -18.087 -10.263 521 H THR 67 H THR 67 -5.526 -16.136 -11.875 522 HA THR 67 HA THR 67 -3.420 -16.505 -10.006 523 HB THR 67 HB THR 67 -3.052 -18.774 -11.702 524 HG1 THR 67 HG1 THR 67 -5.306 -19.164 -10.056 525 HG21 THR 67 3HG2 THR 67 -3.299 -19.855 -9.284 526 HG22 THR 67 1HG2 THR 67 -3.177 -18.165 -8.796 527 HG23 THR 67 2HG2 THR 67 -1.886 -18.906 -9.742 528 H ASP 68 H ASP 68 -1.402 -17.454 -11.513 529 HA ASP 68 HA ASP 68 -0.752 -15.317 -13.192 530 HB2 ASP 68 2HB ASP 68 1.202 -16.597 -13.825 531 HB3 ASP 68 3HB ASP 68 0.898 -16.828 -12.106 532 H VAL 69 H VAL 69 -2.321 -18.366 -13.855 533 HA VAL 69 HA VAL 69 -2.034 -18.322 -16.677 534 HB VAL 69 HB VAL 69 -4.110 -19.695 -14.964 535 HG11 VAL 69 1HG1 VAL 69 -3.416 -20.099 -17.872 536 HG12 VAL 69 2HG1 VAL 69 -4.505 -21.119 -16.929 537 HG13 VAL 69 3HG1 VAL 69 -4.921 -19.433 -17.238 538 HG21 VAL 69 3HG2 VAL 69 -2.575 -21.686 -15.779 539 HG22 VAL 69 1HG2 VAL 69 -1.370 -20.402 -15.878 540 HG23 VAL 69 2HG2 VAL 69 -2.173 -20.741 -14.345 541 H ASP 70 H ASP 70 -4.712 -17.379 -14.531 542 HA ASP 70 HA ASP 70 -6.470 -16.522 -16.540 543 HB2 ASP 70 2HB ASP 70 -6.595 -16.751 -13.810 544 HB3 ASP 70 3HB ASP 70 -6.609 -15.004 -14.029 545 H VAL 71 H VAL 71 -3.976 -14.785 -14.732 546 HA VAL 71 HA VAL 71 -4.543 -12.216 -15.754 547 HB VAL 71 HB VAL 71 -1.976 -13.365 -14.656 548 HG11 VAL 71 1HG1 VAL 71 -1.619 -10.763 -14.297 549 HG12 VAL 71 2HG1 VAL 71 -1.105 -11.579 -15.775 550 HG13 VAL 71 3HG1 VAL 71 -2.622 -10.679 -15.745 551 HG21 VAL 71 3HG2 VAL 71 -2.768 -11.639 -12.803 552 HG22 VAL 71 1HG2 VAL 71 -4.348 -12.012 -13.493 553 HG23 VAL 71 2HG2 VAL 71 -3.346 -13.305 -12.834 554 H GLN 72 H GLN 72 -2.205 -14.694 -16.767 555 HA GLN 72 HA GLN 72 -1.035 -13.250 -18.860 556 HB2 GLN 72 2HB GLN 72 0.039 -15.235 -18.081 557 HB3 GLN 72 3HB GLN 72 -1.380 -16.215 -18.424 558 HG2 GLN 72 2HG GLN 72 -0.478 -14.888 -20.807 559 HG3 GLN 72 3HG GLN 72 0.840 -15.791 -20.061 560 HE21 GLN 72 1HE2 GLN 72 -0.672 -16.254 -22.548 561 HE22 GLN 72 2HE2 GLN 72 -1.297 -17.859 -22.416 562 H ASN 73 H ASN 73 -3.899 -15.309 -18.775 563 HA ASN 73 HA ASN 73 -4.368 -15.308 -21.569 564 HB2 ASN 73 2HB ASN 73 -5.479 -17.021 -20.446 565 HB3 ASN 73 3HB ASN 73 -6.025 -15.956 -19.154 566 HD21 ASN 73 1HD2 ASN 73 -7.947 -14.948 -19.330 567 HD22 ASN 73 2HD2 ASN 73 -9.020 -15.126 -20.672 568 H ASP 74 H ASP 74 -5.498 -13.260 -18.922 569 HA ASP 74 HA ASP 74 -7.365 -11.753 -20.386 570 HB2 ASP 74 2HB ASP 74 -6.936 -11.860 -17.825 571 HB3 ASP 74 3HB ASP 74 -5.763 -10.582 -18.131 572 H VAL 75 H VAL 75 -3.971 -11.036 -19.573 573 HA VAL 75 HA VAL 75 -3.813 -8.615 -20.989 574 HB VAL 75 HB VAL 75 -1.355 -8.954 -20.937 575 HG11 VAL 75 1HG1 VAL 75 -3.135 -9.036 -18.608 576 HG12 VAL 75 2HG1 VAL 75 -1.466 -9.501 -18.277 577 HG13 VAL 75 3HG1 VAL 75 -1.819 -7.928 -18.994 578 HG21 VAL 75 3HG2 VAL 75 -2.121 -11.646 -19.820 579 HG22 VAL 75 1HG2 VAL 75 -1.188 -11.314 -21.279 580 HG23 VAL 75 2HG2 VAL 75 -0.506 -10.950 -19.694 581 H ALA 76 H ALA 76 -3.216 -11.952 -21.970 582 HA ALA 76 HA ALA 76 -2.076 -11.441 -24.480 583 HB1 ALA 76 1HB ALA 76 -3.399 -13.755 -23.190 584 HB2 ALA 76 2HB ALA 76 -3.255 -13.783 -24.948 585 HB3 ALA 76 3HB ALA 76 -1.811 -13.631 -23.947 586 H ARG 77 H ARG 77 -5.460 -11.889 -23.515 587 HA ARG 77 HA ARG 77 -6.553 -11.748 -26.112 588 HB2 ARG 77 2HB ARG 77 -7.520 -12.030 -23.456 589 HB3 ARG 77 3HB ARG 77 -8.397 -10.698 -24.196 590 HG2 ARG 77 2HG ARG 77 -9.700 -12.553 -24.683 591 HG3 ARG 77 3HG ARG 77 -8.773 -12.301 -26.163 592 HD2 ARG 77 2HD ARG 77 -7.293 -14.078 -25.645 593 HD3 ARG 77 3HD ARG 77 -7.899 -14.192 -23.993 594 HE ARG 77 HE ARG 77 -10.087 -14.712 -25.501 595 HH11 ARG 77 1HH1 ARG 77 -6.860 -16.014 -25.420 596 HH12 ARG 77 2HH1 ARG 77 -7.343 -17.592 -25.948 597 HH21 ARG 77 1HH2 ARG 77 -10.736 -16.786 -26.196 598 HH22 ARG 77 2HH2 ARG 77 -9.548 -18.030 -26.390 599 H MET 78 H MET 78 -6.045 -9.277 -23.616 600 HA MET 78 HA MET 78 -7.250 -7.136 -24.953 601 HB2 MET 78 2HB MET 78 -4.857 -6.932 -23.125 602 HB3 MET 78 3HB MET 78 -6.074 -5.701 -23.431 603 HG2 MET 78 2HG MET 78 -7.413 -8.011 -22.501 604 HG3 MET 78 3HG MET 78 -6.038 -7.721 -21.438 605 HE1 MET 78 3HE MET 78 -8.639 -7.645 -19.988 606 HE2 MET 78 1HE MET 78 -9.655 -6.208 -20.100 607 HE3 MET 78 2HE MET 78 -9.565 -7.332 -21.456 608 H ILE 79 H ILE 79 -3.930 -8.354 -25.060 609 HA ILE 79 HA ILE 79 -2.904 -6.297 -26.715 610 HB ILE 79 HB ILE 79 -1.908 -9.125 -26.351 611 HG12 ILE 79 2HG1 ILE 79 -0.620 -6.736 -25.111 612 HG13 ILE 79 3HG1 ILE 79 -2.100 -7.351 -24.382 613 HG21 ILE 79 1HG2 ILE 79 -0.754 -6.729 -27.726 614 HG22 ILE 79 2HG2 ILE 79 0.292 -7.969 -27.038 615 HG23 ILE 79 3HG2 ILE 79 -0.868 -8.393 -28.296 616 HD11 ILE 79 3HD1 ILE 79 0.574 -8.322 -24.147 617 HD12 ILE 79 1HD1 ILE 79 -0.878 -8.827 -23.285 618 HD13 ILE 79 2HD1 ILE 79 -0.459 -9.580 -24.824 619 H THR 80 H THR 80 -4.319 -9.461 -27.387 620 HA THR 80 HA THR 80 -3.763 -9.562 -30.137 621 HB THR 80 HB THR 80 -6.125 -10.769 -28.684 622 HG1 THR 80 HG1 THR 80 -3.731 -12.106 -29.388 623 HG21 THR 80 3HG2 THR 80 -5.659 -12.489 -30.649 624 HG22 THR 80 1HG2 THR 80 -5.047 -11.039 -31.443 625 HG23 THR 80 2HG2 THR 80 -6.714 -11.094 -30.872 626 H ASN 81 H ASN 81 -6.602 -8.339 -28.386 627 HA ASN 81 HA ASN 81 -8.022 -7.571 -30.726 628 HB2 ASN 81 2HB ASN 81 -9.690 -6.993 -29.301 629 HB3 ASN 81 3HB ASN 81 -8.718 -7.872 -28.125 630 HD21 ASN 81 1HD2 ASN 81 -9.560 -4.709 -29.349 631 HD22 ASN 81 2HD2 ASN 81 -9.062 -3.824 -27.951 632 H ALA 82 H ALA 82 -5.769 -5.941 -28.579 633 HA ALA 82 HA ALA 82 -6.173 -3.308 -29.479 634 HB1 ALA 82 1HB ALA 82 -3.765 -4.645 -28.263 635 HB2 ALA 82 2HB ALA 82 -3.859 -2.915 -28.593 636 HB3 ALA 82 3HB ALA 82 -4.979 -3.657 -27.451 637 H LEU 83 H LEU 83 -3.958 -5.847 -30.582 638 HA LEU 83 HA LEU 83 -2.788 -4.185 -32.612 639 HB2 LEU 83 2HB LEU 83 -1.330 -5.807 -31.843 640 HB3 LEU 83 3HB LEU 83 -2.572 -7.057 -31.824 641 HG LEU 83 HG LEU 83 -1.760 -5.974 -34.466 642 HD11 LEU 83 1HD1 LEU 83 -0.024 -7.734 -32.752 643 HD12 LEU 83 2HD1 LEU 83 0.404 -6.212 -33.532 644 HD13 LEU 83 3HD1 LEU 83 0.114 -7.651 -34.509 645 HD21 LEU 83 3HD2 LEU 83 -2.870 -7.768 -35.156 646 HD22 LEU 83 1HD2 LEU 83 -3.293 -8.106 -33.478 647 HD23 LEU 83 2HD2 LEU 83 -1.848 -8.828 -34.186 648 H GLU 84 H GLU 84 -5.392 -6.505 -32.420 649 HA GLU 84 HA GLU 84 -5.703 -6.891 -35.222 650 HB2 GLU 84 2HB GLU 84 -6.630 -8.566 -33.842 651 HB3 GLU 84 3HB GLU 84 -7.479 -7.392 -32.846 652 HG2 GLU 84 2HG GLU 84 -8.984 -6.893 -34.689 653 HG3 GLU 84 3HG GLU 84 -8.120 -8.036 -35.716 654 H TYR 85 H TYR 85 -7.394 -4.854 -32.850 655 HA TYR 85 HA TYR 85 -9.105 -3.642 -34.777 656 HB2 TYR 85 2HB TYR 85 -9.851 -3.665 -32.514 657 HB3 TYR 85 3HB TYR 85 -8.366 -2.911 -31.944 658 HD1 TYR 85 HD1 TYR 85 -11.112 -2.177 -34.381 659 HD2 TYR 85 HD2 TYR 85 -8.499 -0.686 -31.372 660 HE1 TYR 85 HE1 TYR 85 -12.173 0.034 -34.564 661 HE2 TYR 85 HE2 TYR 85 -9.554 1.529 -31.546 662 HH TYR 85 HH TYR 85 -11.042 2.685 -33.808 663 H ASN 86 H ASN 86 -5.858 -3.115 -33.810 664 HA ASN 86 HA ASN 86 -5.809 -0.404 -34.900 665 HB2 ASN 86 2HB ASN 86 -3.780 -2.053 -33.395 666 HB3 ASN 86 3HB ASN 86 -3.375 -0.511 -34.142 667 HD21 ASN 86 1HD2 ASN 86 -2.857 0.249 -32.040 668 HD22 ASN 86 2HD2 ASN 86 -4.104 0.756 -30.957 669 H ALA 87 H ALA 87 -5.680 -3.414 -36.127 670 HA ALA 87 HA ALA 87 -3.407 -3.320 -37.825 671 HB1 ALA 87 1HB ALA 87 -4.654 -5.116 -39.097 672 HB2 ALA 87 2HB ALA 87 -4.333 -5.449 -37.394 673 HB3 ALA 87 3HB ALA 87 -5.942 -4.936 -37.905 674 H LYS 88 H LYS 88 -3.245 -1.501 -39.048 675 HA LYS 88 HA LYS 88 -5.491 -0.886 -40.852 676 HB2 LYS 88 2HB LYS 88 -5.042 0.991 -39.429 677 HB3 LYS 88 3HB LYS 88 -3.314 0.886 -39.741 678 HG2 LYS 88 2HG LYS 88 -3.466 1.954 -41.728 679 HG3 LYS 88 3HG LYS 88 -5.060 1.287 -42.090 680 HD2 LYS 88 2HD LYS 88 -5.707 2.838 -40.007 681 HD3 LYS 88 3HD LYS 88 -4.312 3.739 -40.606 682 HE2 LYS 88 2HE LYS 88 -5.613 3.270 -42.920 683 HE3 LYS 88 3HE LYS 88 -6.977 3.337 -41.806 684 HZ1 LYS 88 3HZ LYS 88 -4.898 5.440 -41.849 685 HZ2 LYS 88 1HZ LYS 88 -6.455 5.514 -41.191 686 HZ3 LYS 88 2HZ LYS 88 -6.246 5.501 -42.869 687 H GLY 89 H GLY 89 -2.015 -0.119 -40.933 688 HA2 GLY 89 2HA GLY 89 -0.941 -1.781 -42.708 689 HA3 GLY 89 3HA GLY 89 -1.966 -0.818 -43.763 690 H SER 90 H SER 90 0.642 -0.569 -41.375 691 HA SER 90 HA SER 90 2.258 1.071 -42.958 692 HB2 SER 90 2HB SER 90 0.137 2.530 -41.926 693 HB3 SER 90 3HB SER 90 1.455 2.874 -40.807 694 HG SER 90 HG SER 90 1.114 4.093 -42.989 695 H THR 91 H THR 91 3.671 2.534 -41.158 696 HA THR 91 HA THR 91 5.326 0.696 -39.927 697 HB THR 91 HB THR 91 5.178 3.300 -38.551 698 HG1 THR 91 HG1 THR 91 5.819 3.163 -41.327 699 HG21 THR 91 3HG2 THR 91 7.049 1.482 -38.604 700 HG22 THR 91 1HG2 THR 91 7.490 3.189 -38.640 701 HG23 THR 91 2HG2 THR 91 7.490 2.246 -40.131 702 H TRP 92 H TRP 92 2.432 2.236 -38.705 703 HA TRP 92 HA TRP 92 2.752 1.672 -35.975 704 HB2 TRP 92 2HB TRP 92 0.566 2.492 -37.748 705 HB3 TRP 92 3HB TRP 92 0.031 1.532 -36.371 706 HD1 TRP 92 HD1 TRP 92 -0.733 3.067 -34.486 707 HE1 TRP 92 HE1 TRP 92 0.039 5.313 -33.494 708 HE3 TRP 92 HE3 TRP 92 3.174 4.045 -37.635 709 HZ2 TRP 92 HZ2 TRP 92 2.039 7.244 -33.982 710 HZ3 TRP 92 HZ3 TRP 92 4.465 6.113 -37.305 711 HH2 TRP 92 HH2 TRP 92 3.908 7.679 -35.516 712 H TYR 93 H TYR 93 1.373 -0.235 -38.611 713 HA TYR 93 HA TYR 93 0.325 -2.333 -37.085 714 HB2 TYR 93 2HB TYR 93 -0.127 -1.955 -39.506 715 HB3 TYR 93 3HB TYR 93 1.502 -2.518 -39.865 716 HD1 TYR 93 HD1 TYR 93 -0.974 -3.875 -37.435 717 HD2 TYR 93 HD2 TYR 93 1.191 -4.506 -41.043 718 HE1 TYR 93 HE1 TYR 93 -1.800 -6.190 -37.518 719 HE2 TYR 93 HE2 TYR 93 0.370 -6.823 -41.136 720 HH TYR 93 HH TYR 93 -0.827 -8.394 -40.130 721 H GLN 94 H GLN 94 3.521 -1.967 -38.592 722 HA GLN 94 HA GLN 94 4.540 -4.459 -37.754 723 HB2 GLN 94 2HB GLN 94 5.537 -2.086 -39.078 724 HB3 GLN 94 3HB GLN 94 6.717 -2.709 -37.933 725 HG2 GLN 94 2HG GLN 94 6.560 -4.916 -39.002 726 HG3 GLN 94 3HG GLN 94 5.427 -4.247 -40.176 727 HE21 GLN 94 1HE2 GLN 94 7.233 -5.207 -41.538 728 HE22 GLN 94 2HE2 GLN 94 8.503 -4.127 -41.991 729 H GLU 95 H GLU 95 4.566 -1.255 -36.275 730 HA GLU 95 HA GLU 95 6.325 -1.805 -34.163 731 HB2 GLU 95 2HB GLU 95 5.786 0.466 -34.596 732 HB3 GLU 95 3HB GLU 95 4.060 0.161 -34.453 733 HG2 GLU 95 2HG GLU 95 5.279 1.352 -32.530 734 HG3 GLU 95 3HG GLU 95 4.129 0.072 -32.147 735 H ALA 96 H ALA 96 2.787 -2.051 -34.343 736 HA ALA 96 HA ALA 96 2.436 -2.941 -31.676 737 HB1 ALA 96 1HB ALA 96 0.292 -3.927 -33.168 738 HB2 ALA 96 2HB ALA 96 0.358 -2.418 -32.257 739 HB3 ALA 96 3HB ALA 96 0.775 -2.432 -33.970 740 H MET 97 H MET 97 2.943 -4.603 -34.739 741 HA MET 97 HA MET 97 2.404 -7.216 -33.766 742 HB2 MET 97 2HB MET 97 2.508 -6.367 -36.207 743 HB3 MET 97 3HB MET 97 4.242 -6.629 -36.071 744 HG2 MET 97 2HG MET 97 3.990 -8.937 -35.807 745 HG3 MET 97 3HG MET 97 2.275 -8.794 -35.428 746 HE1 MET 97 3HE MET 97 2.632 -11.048 -37.913 747 HE2 MET 97 1HE MET 97 1.499 -10.445 -36.703 748 HE3 MET 97 2HE MET 97 1.099 -10.336 -38.417 749 H SER 98 H SER 98 5.367 -5.320 -34.154 750 HA SER 98 HA SER 98 7.147 -7.380 -33.375 751 HB2 SER 98 2HB SER 98 7.765 -5.269 -34.619 752 HB3 SER 98 3HB SER 98 7.612 -4.405 -33.090 753 HG SER 98 HG SER 98 9.773 -5.335 -33.820 754 H PHE 99 H PHE 99 5.543 -4.775 -31.598 755 HA PHE 99 HA PHE 99 6.822 -5.294 -29.118 756 HB2 PHE 99 2HB PHE 99 4.797 -3.492 -30.134 757 HB3 PHE 99 3HB PHE 99 4.340 -4.122 -28.555 758 HD1 PHE 99 HD2 PHE 99 7.701 -3.303 -29.923 759 HD2 PHE 99 HD1 PHE 99 4.681 -2.387 -27.066 760 HE1 PHE 99 HE2 PHE 99 9.213 -1.688 -28.847 761 HE2 PHE 99 HE1 PHE 99 6.188 -0.769 -25.987 762 HZ PHE 99 HZ PHE 99 8.458 -0.419 -26.876 763 H ARG 100 H ARG 100 3.872 -6.458 -30.631 764 HA ARG 100 HA ARG 100 2.648 -7.658 -28.439 765 HB2 ARG 100 2HB ARG 100 1.598 -7.396 -30.664 766 HB3 ARG 100 3HB ARG 100 2.663 -8.644 -31.297 767 HG2 ARG 100 2HG ARG 100 1.117 -9.428 -28.930 768 HG3 ARG 100 3HG ARG 100 0.160 -9.079 -30.371 769 HD2 ARG 100 2HD ARG 100 1.637 -10.627 -31.645 770 HD3 ARG 100 3HD ARG 100 2.429 -11.049 -30.127 771 HE ARG 100 HE ARG 100 -0.263 -11.470 -29.718 772 HH11 ARG 100 1HH1 ARG 100 2.191 -12.666 -31.879 773 HH12 ARG 100 2HH1 ARG 100 1.456 -14.224 -32.061 774 HH21 ARG 100 1HH2 ARG 100 -1.240 -13.518 -29.949 775 HH22 ARG 100 2HH2 ARG 100 -0.496 -14.708 -30.963 776 H LYS 101 H LYS 101 5.459 -8.593 -30.217 777 HA LYS 101 HA LYS 101 5.464 -11.344 -29.434 778 HB2 LYS 101 2HB LYS 101 7.614 -9.535 -30.538 779 HB3 LYS 101 3HB LYS 101 7.873 -11.240 -30.195 780 HG2 LYS 101 2HG LYS 101 6.432 -11.926 -31.891 781 HG3 LYS 101 3HG LYS 101 5.657 -10.344 -32.000 782 HD2 LYS 101 2HD LYS 101 7.012 -10.324 -33.866 783 HD3 LYS 101 3HD LYS 101 8.048 -9.536 -32.673 784 HE2 LYS 101 2HE LYS 101 9.455 -11.089 -33.696 785 HE3 LYS 101 3HE LYS 101 8.959 -11.889 -32.206 786 HZ1 LYS 101 3HZ LYS 101 8.350 -12.563 -34.962 787 HZ2 LYS 101 1HZ LYS 101 7.065 -12.728 -33.873 788 HZ3 LYS 101 2HZ LYS 101 8.510 -13.568 -33.611 789 H THR 102 H THR 102 6.381 -8.393 -27.936 790 HA THR 102 HA THR 102 7.819 -9.869 -25.830 791 HB THR 102 HB THR 102 9.186 -8.139 -26.928 792 HG1 THR 102 HG1 THR 102 9.812 -8.362 -24.860 793 HG21 THR 102 3HG2 THR 102 8.596 -5.739 -26.466 794 HG22 THR 102 1HG2 THR 102 6.999 -6.297 -25.969 795 HG23 THR 102 2HG2 THR 102 7.545 -6.550 -27.627 796 H TYR 103 H TYR 103 4.930 -8.356 -26.551 797 HA TYR 103 HA TYR 103 4.328 -7.044 -24.125 798 HB2 TYR 103 2HB TYR 103 3.078 -7.329 -26.560 799 HB3 TYR 103 3HB TYR 103 2.039 -8.265 -25.492 800 HD1 TYR 103 HD2 TYR 103 1.922 -6.861 -23.034 801 HD2 TYR 103 HD1 TYR 103 2.179 -5.248 -26.963 802 HE1 TYR 103 HE2 TYR 103 0.859 -4.787 -22.246 803 HE2 TYR 103 HE1 TYR 103 1.118 -3.169 -26.185 804 HH TYR 103 HH TYR 103 -0.255 -2.355 -24.412 805 H LEU 104 H LEU 104 3.375 -10.271 -25.308 806 HA LEU 104 HA LEU 104 2.216 -11.051 -22.826 807 HB2 LEU 104 2HB LEU 104 2.290 -13.350 -23.859 808 HB3 LEU 104 3HB LEU 104 1.388 -12.122 -24.746 809 HG LEU 104 HG LEU 104 4.088 -12.203 -25.704 810 HD11 LEU 104 1HD1 LEU 104 4.170 -14.446 -26.588 811 HD12 LEU 104 2HD1 LEU 104 2.637 -14.843 -25.812 812 HD13 LEU 104 3HD1 LEU 104 4.063 -14.509 -24.829 813 HD21 LEU 104 3HD2 LEU 104 3.012 -12.480 -27.819 814 HD22 LEU 104 1HD2 LEU 104 2.031 -11.375 -26.855 815 HD23 LEU 104 2HD2 LEU 104 1.531 -13.055 -27.052 816 H ASP 105 H ASP 105 5.348 -11.582 -24.363 817 HA ASP 105 HA ASP 105 6.400 -13.458 -22.590 818 HB2 ASP 105 2HB ASP 105 7.373 -11.811 -24.714 819 HB3 ASP 105 3HB ASP 105 8.496 -11.699 -23.361 820 H LEU 106 H LEU 106 6.628 -9.908 -22.491 821 HA LEU 106 HA LEU 106 8.072 -9.798 -20.063 822 HB2 LEU 106 2HB LEU 106 7.599 -7.997 -21.920 823 HB3 LEU 106 3HB LEU 106 6.235 -7.596 -20.878 824 HG LEU 106 HG LEU 106 7.786 -7.139 -19.035 825 HD11 LEU 106 1HD1 LEU 106 9.815 -8.016 -21.052 826 HD12 LEU 106 2HD1 LEU 106 9.638 -8.496 -19.365 827 HD13 LEU 106 3HD1 LEU 106 10.246 -6.890 -19.765 828 HD21 LEU 106 3HD2 LEU 106 7.203 -5.532 -21.118 829 HD22 LEU 106 1HD2 LEU 106 8.965 -5.524 -21.198 830 HD23 LEU 106 2HD2 LEU 106 8.147 -5.022 -19.718 831 H ALA 107 H ALA 107 4.745 -10.295 -20.779 832 HA ALA 107 HA ALA 107 4.041 -9.881 -17.948 833 HB1 ALA 107 1HB ALA 107 1.887 -10.194 -19.948 834 HB2 ALA 107 2HB ALA 107 1.991 -9.130 -18.546 835 HB3 ALA 107 3HB ALA 107 2.840 -8.712 -20.034 836 H ARG 108 H ARG 108 5.359 -12.183 -18.421 837 HA ARG 108 HA ARG 108 3.567 -14.157 -17.525 838 HB2 ARG 108 2HB ARG 108 2.810 -14.159 -19.859 839 HB3 ARG 108 3HB ARG 108 4.456 -14.462 -20.398 840 HG2 ARG 108 2HG ARG 108 3.019 -16.474 -20.395 841 HG3 ARG 108 3HG ARG 108 4.456 -16.631 -19.382 842 HD2 ARG 108 2HD ARG 108 3.257 -16.680 -17.452 843 HD3 ARG 108 3HD ARG 108 2.000 -15.615 -18.080 844 HE ARG 108 HE ARG 108 0.808 -17.473 -18.630 845 HH11 ARG 108 1HH1 ARG 108 4.173 -18.347 -18.435 846 HH12 ARG 108 2HH1 ARG 108 3.886 -20.032 -18.719 847 HH21 ARG 108 1HH2 ARG 108 0.418 -19.689 -19.004 848 HH22 ARG 108 2HH2 ARG 108 1.750 -20.794 -19.043 849 H GLN 109 H GLN 109 6.582 -13.614 -19.311 850 HA GLN 109 HA GLN 109 7.894 -15.921 -18.280 851 HB2 GLN 109 2HB GLN 109 8.689 -15.032 -20.342 852 HB3 GLN 109 3HB GLN 109 8.901 -13.430 -19.648 853 HG2 GLN 109 2HG GLN 109 10.699 -14.300 -18.224 854 HG3 GLN 109 3HG GLN 109 10.503 -15.886 -18.969 855 HE21 GLN 109 1HE2 GLN 109 10.525 -15.726 -21.472 856 HE22 GLN 109 2HE2 GLN 109 11.831 -14.805 -22.130 857 H SER 110 H SER 110 7.655 -12.568 -17.279 858 HA SER 110 HA SER 110 9.481 -13.086 -15.041 859 HB2 SER 110 2HB SER 110 8.680 -10.673 -16.552 860 HB3 SER 110 3HB SER 110 8.895 -10.446 -14.817 861 HG SER 110 HG SER 110 10.817 -11.718 -16.464 862 H GLY 111 H GLY 111 6.184 -12.878 -15.797 863 HA2 GLY 111 2HA GLY 111 5.164 -11.810 -13.378 864 HA3 GLY 111 3HA GLY 111 4.272 -12.798 -14.525
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