NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
523725 | 2kpn | 16561 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -37.376 1.642 16.050 2 H2 MET 1 2H MET 1 -37.009 3.272 16.324 3 H3 MET 1 3H MET 1 -36.512 2.091 17.430 4 HA MET 1 HA MET 1 -35.574 2.296 14.626 5 HB2 MET 1 2HB MET 1 -34.134 2.981 17.207 6 HB3 MET 1 1HB MET 1 -33.423 3.019 15.599 7 HG2 MET 1 2HG MET 1 -33.986 5.253 16.316 8 HG3 MET 1 1HG MET 1 -34.996 4.782 14.950 9 HE1 MET 1 3HE MET 1 -36.442 5.045 19.331 10 HE2 MET 1 1HE MET 1 -34.841 5.543 18.786 11 HE3 MET 1 2HE MET 1 -35.278 3.836 18.792 12 H GLY 2 H GLY 2 -33.233 1.086 14.699 13 HA2 GLY 2 2HA GLY 2 -32.606 -1.001 16.319 14 HA3 GLY 2 1HA GLY 2 -33.897 -1.662 15.332 15 H ASN 3 H ASN 3 -31.738 -3.054 15.071 16 HA ASN 3 HA ASN 3 -30.519 -2.209 12.517 17 HB2 ASN 3 2HB ASN 3 -29.042 -3.508 14.828 18 HB3 ASN 3 1HB ASN 3 -28.354 -3.122 13.254 19 HD21 ASN 3 1HD2 ASN 3 -29.408 -1.867 16.297 20 HD22 ASN 3 2HD2 ASN 3 -28.756 -0.280 16.091 21 H GLY 4 H GLY 4 -29.812 -3.932 11.149 22 HA2 GLY 4 2HA GLY 4 -30.941 -6.593 11.823 23 HA3 GLY 4 1HA GLY 4 -30.878 -5.940 10.193 24 H GLU 5 H GLU 5 -29.618 -8.356 11.735 25 HA GLU 5 HA GLU 5 -26.798 -7.945 11.592 26 HB2 GLU 5 2HB GLU 5 -28.417 -10.493 11.740 27 HB3 GLU 5 1HB GLU 5 -26.662 -10.441 11.816 28 HG2 GLU 5 2HG GLU 5 -26.862 -8.984 13.833 29 HG3 GLU 5 1HG GLU 5 -28.605 -9.259 13.791 30 H THR 6 H THR 6 -26.585 -7.064 9.447 31 HA THR 6 HA THR 6 -26.781 -8.973 7.238 32 HB THR 6 HB THR 6 -26.030 -7.131 5.796 33 HG1 THR 6 HG1 THR 6 -24.704 -6.099 7.493 34 HG21 THR 6 3HG2 THR 6 -28.216 -6.291 7.709 35 HG22 THR 6 1HG2 THR 6 -28.423 -7.313 6.285 36 HG23 THR 6 2HG2 THR 6 -27.945 -5.623 6.099 37 H SER 7 H SER 7 -25.086 -10.093 6.420 38 HA SER 7 HA SER 7 -22.680 -10.314 7.891 39 HB2 SER 7 2HB SER 7 -23.315 -11.335 5.105 40 HB3 SER 7 1HB SER 7 -21.950 -11.853 6.096 41 HG SER 7 HG SER 7 -23.620 -13.326 6.336 42 H ASP 8 H ASP 8 -21.555 -8.347 7.976 43 HA ASP 8 HA ASP 8 -20.885 -6.859 5.630 44 HB2 ASP 8 2HB ASP 8 -21.003 -5.746 7.809 45 HB3 ASP 8 1HB ASP 8 -19.681 -6.744 8.408 46 H LEU 9 H LEU 9 -19.366 -7.299 4.191 47 HA LEU 9 HA LEU 9 -17.344 -9.298 4.665 48 HB2 LEU 9 2HB LEU 9 -17.741 -7.434 2.319 49 HB3 LEU 9 1HB LEU 9 -16.639 -8.799 2.362 50 HG LEU 9 HG LEU 9 -19.658 -8.960 2.510 51 HD11 LEU 9 1HD1 LEU 9 -19.520 -9.979 0.308 52 HD12 LEU 9 2HD1 LEU 9 -17.768 -9.771 0.302 53 HD13 LEU 9 3HD1 LEU 9 -18.825 -8.358 0.286 54 HD21 LEU 9 3HD2 LEU 9 -19.332 -11.388 2.343 55 HD22 LEU 9 1HD2 LEU 9 -18.627 -10.733 3.820 56 HD23 LEU 9 2HD2 LEU 9 -17.587 -11.159 2.459 57 H GLU 10 H GLU 10 -15.227 -8.972 5.120 58 HA GLU 10 HA GLU 10 -14.375 -6.426 6.076 59 HB2 GLU 10 2HB GLU 10 -12.047 -7.687 6.074 60 HB3 GLU 10 1HB GLU 10 -13.277 -8.042 7.271 61 HG2 GLU 10 2HG GLU 10 -13.024 -9.654 4.751 62 HG3 GLU 10 1HG GLU 10 -12.053 -9.997 6.179 63 HA PRO 11 HA PRO 11 -13.256 -4.353 2.469 64 HB2 PRO 11 2HB PRO 11 -10.951 -3.026 3.272 65 HB3 PRO 11 1HB PRO 11 -12.602 -2.499 3.610 66 HG2 PRO 11 2HG PRO 11 -10.698 -4.006 5.362 67 HG3 PRO 11 1HG PRO 11 -11.827 -2.704 5.787 68 HD2 PRO 11 2HD PRO 11 -12.378 -5.270 6.341 69 HD3 PRO 11 1HD PRO 11 -13.655 -4.141 5.842 70 H LYS 12 H LYS 12 -12.263 -4.847 0.610 71 HA LYS 12 HA LYS 12 -10.072 -6.733 0.565 72 HB2 LYS 12 2HB LYS 12 -11.837 -6.995 -1.081 73 HB3 LYS 12 1HB LYS 12 -11.594 -5.353 -1.662 74 HG2 LYS 12 2HG LYS 12 -10.621 -6.956 -3.202 75 HG3 LYS 12 1HG LYS 12 -9.358 -5.965 -2.469 76 HD2 LYS 12 2HD LYS 12 -8.921 -7.805 -0.849 77 HD3 LYS 12 1HD LYS 12 -10.109 -8.794 -1.700 78 HE2 LYS 12 2HE LYS 12 -7.914 -9.409 -2.455 79 HE3 LYS 12 1HE LYS 12 -8.741 -8.568 -3.764 80 HZ1 LYS 12 3HZ LYS 12 -6.764 -7.320 -1.926 81 HZ2 LYS 12 1HZ LYS 12 -7.501 -6.578 -3.260 82 HZ3 LYS 12 2HZ LYS 12 -6.428 -7.862 -3.492 83 H LEU 13 H LEU 13 -8.163 -5.885 1.127 84 HA LEU 13 HA LEU 13 -7.287 -3.315 0.042 85 HB2 LEU 13 2HB LEU 13 -6.822 -3.861 2.402 86 HB3 LEU 13 1HB LEU 13 -5.904 -5.266 1.898 87 HG LEU 13 HG LEU 13 -4.249 -3.794 0.805 88 HD11 LEU 13 1HD1 LEU 13 -4.290 -1.381 1.224 89 HD12 LEU 13 2HD1 LEU 13 -5.874 -1.538 1.982 90 HD13 LEU 13 3HD1 LEU 13 -5.678 -1.899 0.267 91 HD21 LEU 13 3HD2 LEU 13 -4.774 -3.146 3.707 92 HD22 LEU 13 1HD2 LEU 13 -3.248 -2.897 2.855 93 HD23 LEU 13 2HD2 LEU 13 -3.869 -4.531 3.091 94 H THR 14 H THR 14 -6.037 -3.149 -1.743 95 HA THR 14 HA THR 14 -4.777 -5.615 -2.785 96 HB THR 14 HB THR 14 -5.753 -3.205 -4.341 97 HG1 THR 14 HG1 THR 14 -7.045 -5.204 -5.216 98 HG21 THR 14 3HG2 THR 14 -5.214 -4.522 -6.345 99 HG22 THR 14 1HG2 THR 14 -4.537 -5.797 -5.331 100 HG23 THR 14 2HG2 THR 14 -3.768 -4.211 -5.387 101 H VAL 15 H VAL 15 -2.693 -5.642 -2.415 102 HA VAL 15 HA VAL 15 -1.061 -3.224 -2.842 103 HB VAL 15 HB VAL 15 -0.790 -5.115 -0.481 104 HG11 VAL 15 1HG1 VAL 15 0.863 -2.690 -1.216 105 HG12 VAL 15 2HG1 VAL 15 1.397 -4.371 -1.259 106 HG13 VAL 15 3HG1 VAL 15 1.002 -3.611 0.282 107 HG21 VAL 15 3HG2 VAL 15 -2.661 -3.531 -0.239 108 HG22 VAL 15 1HG2 VAL 15 -1.551 -2.189 -0.516 109 HG23 VAL 15 2HG2 VAL 15 -1.369 -3.205 0.915 110 HA PRO 16 HA PRO 16 1.368 -6.282 -5.115 111 HB2 PRO 16 2HB PRO 16 3.426 -4.662 -5.829 112 HB3 PRO 16 1HB PRO 16 1.841 -4.582 -6.607 113 HG2 PRO 16 2HG PRO 16 2.991 -2.834 -4.464 114 HG3 PRO 16 1HG PRO 16 2.051 -2.377 -5.897 115 HD2 PRO 16 2HD PRO 16 0.970 -2.576 -3.398 116 HD3 PRO 16 1HD PRO 16 0.044 -2.857 -4.882 117 H VAL 17 H VAL 17 2.562 -7.806 -4.113 118 HA VAL 17 HA VAL 17 3.767 -7.394 -1.597 119 HB VAL 17 HB VAL 17 2.877 -9.572 -2.343 120 HG11 VAL 17 1HG1 VAL 17 5.329 -9.684 -4.105 121 HG12 VAL 17 2HG1 VAL 17 3.653 -9.568 -4.647 122 HG13 VAL 17 3HG1 VAL 17 4.212 -11.019 -3.814 123 HG21 VAL 17 3HG2 VAL 17 4.624 -10.978 -1.363 124 HG22 VAL 17 1HG2 VAL 17 4.427 -9.480 -0.453 125 HG23 VAL 17 2HG2 VAL 17 5.793 -9.672 -1.552 126 H GLY 18 H GLY 18 5.075 -7.117 -4.820 127 HA2 GLY 18 2HA GLY 18 7.629 -6.243 -3.687 128 HA3 GLY 18 1HA GLY 18 7.680 -7.597 -4.798 129 H ALA 19 H ALA 19 8.648 -4.699 -4.822 130 HA ALA 19 HA ALA 19 7.842 -4.133 -7.593 131 HB1 ALA 19 3HB ALA 19 7.706 -1.734 -7.101 132 HB2 ALA 19 1HB ALA 19 8.009 -2.062 -5.394 133 HB3 ALA 19 2HB ALA 19 6.529 -2.647 -6.156 134 H THR 20 H THR 20 9.459 -3.003 -8.844 135 HA THR 20 HA THR 20 12.093 -2.658 -7.566 136 HB THR 20 HB THR 20 11.705 -4.230 -10.135 137 HG1 THR 20 HG1 THR 20 11.604 -5.887 -8.831 138 HG21 THR 20 3HG2 THR 20 14.133 -4.619 -10.007 139 HG22 THR 20 1HG2 THR 20 14.227 -3.555 -8.602 140 HG23 THR 20 2HG2 THR 20 13.765 -2.903 -10.174 141 H ILE 21 H ILE 21 12.824 -0.666 -8.018 142 HA ILE 21 HA ILE 21 12.263 0.505 -10.671 143 HB ILE 21 HB ILE 21 11.977 2.734 -9.631 144 HG12 ILE 21 2HG1 ILE 21 11.885 1.196 -7.017 145 HG13 ILE 21 1HG1 ILE 21 13.171 2.289 -7.515 146 HG21 ILE 21 1HG2 ILE 21 10.024 1.416 -10.271 147 HG22 ILE 21 2HG2 ILE 21 9.685 2.395 -8.843 148 HG23 ILE 21 3HG2 ILE 21 9.993 0.666 -8.674 149 HD11 ILE 21 3HD1 ILE 21 11.692 3.366 -5.939 150 HD12 ILE 21 1HD1 ILE 21 10.309 3.046 -6.986 151 HD13 ILE 21 2HD1 ILE 21 11.580 4.148 -7.517 152 H HIS 22 H HIS 22 13.658 2.669 -10.837 153 HA HIS 22 HA HIS 22 16.417 1.883 -10.122 154 HB2 HIS 22 2HB HIS 22 15.394 3.500 -12.464 155 HB3 HIS 22 1HB HIS 22 17.101 3.316 -12.072 156 HD1 HIS 22 HD1 HIS 22 14.351 1.708 -13.847 157 HD2 HIS 22 HD2 HIS 22 18.024 0.559 -12.279 158 HE1 HIS 22 HE1 HIS 22 14.906 -0.467 -14.965 159 HE2 HIS 22 HE2 HIS 22 17.243 -0.993 -14.200 160 H VAL 23 H VAL 23 17.984 3.619 -9.798 161 HA VAL 23 HA VAL 23 17.188 5.617 -7.982 162 HB VAL 23 HB VAL 23 19.738 5.392 -9.613 163 HG11 VAL 23 1HG1 VAL 23 19.437 7.696 -8.864 164 HG12 VAL 23 2HG1 VAL 23 20.735 6.918 -7.956 165 HG13 VAL 23 3HG1 VAL 23 19.150 7.139 -7.215 166 HG21 VAL 23 3HG2 VAL 23 19.338 3.496 -8.111 167 HG22 VAL 23 1HG2 VAL 23 19.129 4.606 -6.754 168 HG23 VAL 23 2HG2 VAL 23 20.697 4.472 -7.553 169 H GLY 24 H GLY 24 16.078 7.429 -8.393 170 HA2 GLY 24 2HA GLY 24 15.816 9.565 -9.415 171 HA3 GLY 24 1HA GLY 24 16.598 8.948 -10.861 172 H ASP 25 H ASP 25 14.455 6.620 -9.900 173 HA ASP 25 HA ASP 25 12.577 7.387 -11.986 174 HB2 ASP 25 2HB ASP 25 13.565 5.073 -11.831 175 HB3 ASP 25 1HB ASP 25 12.623 4.828 -10.363 176 H SER 26 H SER 26 10.251 7.209 -11.680 177 HA SER 26 HA SER 26 9.400 8.589 -9.276 178 HB2 SER 26 2HB SER 26 7.237 8.802 -10.422 179 HB3 SER 26 1HB SER 26 8.555 9.278 -11.489 180 HG SER 26 HG SER 26 8.235 6.723 -11.919 181 H PHE 27 H PHE 27 7.946 7.864 -7.724 182 HA PHE 27 HA PHE 27 6.727 5.227 -7.992 183 HB2 PHE 27 2HB PHE 27 8.937 4.812 -6.926 184 HB3 PHE 27 1HB PHE 27 8.495 5.912 -5.625 185 HD1 PHE 27 HD2 PHE 27 7.693 2.671 -7.211 186 HD2 PHE 27 HD1 PHE 27 7.106 5.194 -3.828 187 HE1 PHE 27 HE2 PHE 27 6.649 0.801 -5.998 188 HE2 PHE 27 HE1 PHE 27 6.061 3.329 -2.616 189 HZ PHE 27 HZ PHE 27 5.831 1.129 -3.699 190 H VAL 28 H VAL 28 4.633 5.589 -7.570 191 HA VAL 28 HA VAL 28 3.904 7.503 -5.428 192 HB VAL 28 HB VAL 28 2.286 6.767 -7.881 193 HG11 VAL 28 1HG1 VAL 28 1.725 8.773 -5.691 194 HG12 VAL 28 2HG1 VAL 28 0.849 7.271 -5.984 195 HG13 VAL 28 3HG1 VAL 28 0.775 8.577 -7.165 196 HG21 VAL 28 3HG2 VAL 28 3.753 9.325 -7.212 197 HG22 VAL 28 1HG2 VAL 28 2.719 9.069 -8.617 198 HG23 VAL 28 2HG2 VAL 28 4.217 8.156 -8.448 199 HA PRO 29 HA PRO 29 2.618 3.497 -3.618 200 HB2 PRO 29 2HB PRO 29 1.993 4.599 -1.159 201 HB3 PRO 29 1HB PRO 29 3.602 4.047 -1.636 202 HG2 PRO 29 2HG PRO 29 2.466 6.820 -1.660 203 HG3 PRO 29 1HG PRO 29 4.072 6.272 -1.140 204 HD2 PRO 29 2HD PRO 29 3.715 7.431 -3.529 205 HD3 PRO 29 1HD PRO 29 4.850 6.077 -3.330 206 H MET 30 H MET 30 0.754 6.541 -3.392 207 HA MET 30 HA MET 30 -1.680 5.159 -2.683 208 HB2 MET 30 2HB MET 30 -1.113 8.041 -3.381 209 HB3 MET 30 1HB MET 30 -2.721 7.450 -2.989 210 HG2 MET 30 2HG MET 30 -0.505 6.929 -1.069 211 HG3 MET 30 1HG MET 30 -1.182 8.551 -1.166 212 HE1 MET 30 3HE MET 30 -3.126 5.028 -1.554 213 HE2 MET 30 1HE MET 30 -3.569 4.795 0.136 214 HE3 MET 30 2HE MET 30 -1.870 4.779 -0.340 215 H ALA 31 H ALA 31 -0.121 5.453 -5.598 216 HA ALA 31 HA ALA 31 -2.591 5.516 -7.184 217 HB1 ALA 31 3HB ALA 31 -0.669 6.861 -7.942 218 HB2 ALA 31 1HB ALA 31 -1.154 5.651 -9.129 219 HB3 ALA 31 2HB ALA 31 0.272 5.384 -8.129 220 H GLU 32 H GLU 32 -0.071 3.319 -6.144 221 HA GLU 32 HA GLU 32 -1.044 1.208 -7.928 222 HB2 GLU 32 2HB GLU 32 1.410 1.272 -6.158 223 HB3 GLU 32 1HB GLU 32 1.011 0.018 -7.327 224 HG2 GLU 32 2HG GLU 32 1.160 1.676 -9.140 225 HG3 GLU 32 1HG GLU 32 1.601 2.910 -7.964 226 H VAL 33 H VAL 33 -1.736 2.240 -4.857 227 HA VAL 33 HA VAL 33 -2.475 -0.485 -3.975 228 HB VAL 33 HB VAL 33 -1.621 1.839 -2.229 229 HG11 VAL 33 1HG1 VAL 33 -1.905 0.282 -0.335 230 HG12 VAL 33 2HG1 VAL 33 -2.596 -0.913 -1.433 231 HG13 VAL 33 3HG1 VAL 33 -3.431 0.616 -1.154 232 HG21 VAL 33 3HG2 VAL 33 -0.337 -0.857 -2.724 233 HG22 VAL 33 1HG2 VAL 33 0.235 0.362 -1.585 234 HG23 VAL 33 2HG2 VAL 33 0.247 0.700 -3.316 235 H LEU 34 H LEU 34 -4.591 -0.820 -3.721 236 HA LEU 34 HA LEU 34 -6.389 1.494 -3.279 237 HB2 LEU 34 2HB LEU 34 -6.879 -0.928 -5.028 238 HB3 LEU 34 1HB LEU 34 -8.120 0.223 -4.585 239 HG LEU 34 HG LEU 34 -7.468 0.782 -6.783 240 HD11 LEU 34 1HD1 LEU 34 -6.007 2.674 -4.941 241 HD12 LEU 34 2HD1 LEU 34 -7.730 2.714 -5.323 242 HD13 LEU 34 3HD1 LEU 34 -6.542 3.022 -6.588 243 HD21 LEU 34 3HD2 LEU 34 -5.396 -0.486 -6.900 244 HD22 LEU 34 1HD2 LEU 34 -4.591 0.702 -5.875 245 HD23 LEU 34 2HD2 LEU 34 -5.152 1.161 -7.482 246 H ALA 35 H ALA 35 -8.466 0.952 -2.247 247 HA ALA 35 HA ALA 35 -8.663 -1.636 -0.903 248 HB1 ALA 35 3HB ALA 35 -7.366 -0.254 0.666 249 HB2 ALA 35 1HB ALA 35 -8.948 -0.686 1.317 250 HB3 ALA 35 2HB ALA 35 -8.668 0.935 0.681 251 H ILE 36 H ILE 36 -10.709 -2.334 -1.078 252 HA ILE 36 HA ILE 36 -12.879 -0.335 -1.348 253 HB ILE 36 HB ILE 36 -12.701 -2.917 -2.922 254 HG12 ILE 36 2HG1 ILE 36 -10.959 -1.343 -3.673 255 HG13 ILE 36 1HG1 ILE 36 -12.213 -1.523 -4.895 256 HG21 ILE 36 1HG2 ILE 36 -14.985 -2.194 -2.514 257 HG22 ILE 36 2HG2 ILE 36 -14.575 -1.956 -4.213 258 HG23 ILE 36 3HG2 ILE 36 -14.610 -0.578 -3.111 259 HD11 ILE 36 3HD1 ILE 36 -11.536 0.782 -4.710 260 HD12 ILE 36 1HD1 ILE 36 -11.900 0.782 -2.986 261 HD13 ILE 36 2HD1 ILE 36 -13.200 0.601 -4.162 262 H ASP 37 H ASP 37 -14.563 -0.639 -0.002 263 HA ASP 37 HA ASP 37 -15.085 -3.358 1.034 264 HB2 ASP 37 2HB ASP 37 -14.442 -1.630 2.745 265 HB3 ASP 37 1HB ASP 37 -15.899 -0.737 2.319 266 H LYS 38 H LYS 38 -17.222 -4.125 0.995 267 HA LYS 38 HA LYS 38 -18.816 -3.146 -1.168 268 HB2 LYS 38 2HB LYS 38 -18.802 -5.492 -0.839 269 HB3 LYS 38 1HB LYS 38 -19.204 -5.339 0.865 270 HG2 LYS 38 2HG LYS 38 -21.452 -4.632 0.318 271 HG3 LYS 38 1HG LYS 38 -21.066 -4.628 -1.404 272 HD2 LYS 38 2HD LYS 38 -20.719 -7.137 0.210 273 HD3 LYS 38 1HD LYS 38 -22.323 -6.666 -0.348 274 HE2 LYS 38 2HE LYS 38 -21.172 -8.251 -1.872 275 HE3 LYS 38 1HE LYS 38 -21.609 -6.730 -2.645 276 HZ1 LYS 38 3HZ LYS 38 -19.352 -5.996 -2.496 277 HZ2 LYS 38 1HZ LYS 38 -19.363 -7.523 -3.211 278 HZ3 LYS 38 2HZ LYS 38 -18.900 -7.352 -1.596 279 H GLU 39 H GLU 39 -19.194 -3.099 2.357 280 HA GLU 39 HA GLU 39 -21.876 -2.006 2.185 281 HB2 GLU 39 2HB GLU 39 -20.161 -2.509 4.629 282 HB3 GLU 39 1HB GLU 39 -21.881 -2.152 4.625 283 HG2 GLU 39 2HG GLU 39 -21.708 -4.470 4.968 284 HG3 GLU 39 1HG GLU 39 -22.201 -4.276 3.288 285 H ASP 40 H ASP 40 -18.728 -0.880 3.440 286 HA ASP 40 HA ASP 40 -19.819 1.713 4.123 287 HB2 ASP 40 2HB ASP 40 -17.995 0.395 5.396 288 HB3 ASP 40 1HB ASP 40 -16.890 0.983 4.157 289 H GLY 41 H GLY 41 -17.789 0.340 1.576 290 HA2 GLY 41 2HA GLY 41 -18.101 1.362 -0.643 291 HA3 GLY 41 1HA GLY 41 -17.990 2.928 0.141 292 H ASP 42 H ASP 42 -16.297 3.591 -1.198 293 HA ASP 42 HA ASP 42 -13.885 2.118 -1.528 294 HB2 ASP 42 2HB ASP 42 -14.742 3.895 -3.094 295 HB3 ASP 42 1HB ASP 42 -14.289 5.098 -1.891 296 H LEU 43 H LEU 43 -12.321 1.820 -0.041 297 HA LEU 43 HA LEU 43 -12.108 3.758 2.180 298 HB2 LEU 43 2HB LEU 43 -11.139 0.895 2.134 299 HB3 LEU 43 1HB LEU 43 -11.156 1.976 3.515 300 HG LEU 43 HG LEU 43 -13.509 0.674 2.152 301 HD11 LEU 43 1HD1 LEU 43 -13.942 -0.233 4.376 302 HD12 LEU 43 2HD1 LEU 43 -12.516 0.599 4.999 303 HD13 LEU 43 3HD1 LEU 43 -12.336 -0.680 3.799 304 HD21 LEU 43 3HD2 LEU 43 -14.143 2.977 2.572 305 HD22 LEU 43 1HD2 LEU 43 -13.578 2.852 4.239 306 HD23 LEU 43 2HD2 LEU 43 -14.963 1.901 3.702 307 H THR 44 H THR 44 -10.717 3.535 -0.627 308 HA THR 44 HA THR 44 -7.987 3.028 -0.289 309 HB THR 44 HB THR 44 -9.164 5.110 -2.150 310 HG1 THR 44 HG1 THR 44 -10.220 3.305 -2.728 311 HG21 THR 44 3HG2 THR 44 -7.229 4.597 -3.568 312 HG22 THR 44 1HG2 THR 44 -6.635 3.457 -2.358 313 HG23 THR 44 2HG2 THR 44 -6.711 5.179 -1.988 314 H SER 45 H SER 45 -9.814 6.016 0.262 315 HA SER 45 HA SER 45 -7.600 7.701 0.803 316 HB2 SER 45 2HB SER 45 -10.445 7.942 1.822 317 HB3 SER 45 1HB SER 45 -9.245 9.234 1.791 318 HG SER 45 HG SER 45 -10.804 8.199 -0.241 319 H LYS 46 H LYS 46 -9.190 5.294 2.698 320 HA LYS 46 HA LYS 46 -8.345 6.356 5.262 321 HB2 LYS 46 2HB LYS 46 -9.668 3.725 4.584 322 HB3 LYS 46 1HB LYS 46 -9.443 4.381 6.202 323 HG2 LYS 46 2HG LYS 46 -10.865 6.308 5.586 324 HG3 LYS 46 1HG LYS 46 -11.142 5.565 4.008 325 HD2 LYS 46 2HD LYS 46 -12.112 3.593 5.144 326 HD3 LYS 46 1HD LYS 46 -11.885 4.407 6.693 327 HE2 LYS 46 2HE LYS 46 -13.391 6.196 5.990 328 HE3 LYS 46 1HE LYS 46 -13.590 5.427 4.416 329 HZ1 LYS 46 3HZ LYS 46 -15.429 4.985 5.976 330 HZ2 LYS 46 1HZ LYS 46 -14.357 4.176 6.998 331 HZ3 LYS 46 2HZ LYS 46 -14.675 3.572 5.449 332 H ILE 47 H ILE 47 -6.787 4.620 2.862 333 HA ILE 47 HA ILE 47 -5.428 2.606 4.303 334 HB ILE 47 HB ILE 47 -4.560 4.071 1.802 335 HG12 ILE 47 2HG1 ILE 47 -5.951 1.400 2.176 336 HG13 ILE 47 1HG1 ILE 47 -6.708 2.875 1.584 337 HG21 ILE 47 1HG2 ILE 47 -3.503 1.499 2.990 338 HG22 ILE 47 2HG2 ILE 47 -2.637 3.032 2.873 339 HG23 ILE 47 3HG2 ILE 47 -3.069 2.148 1.409 340 HD11 ILE 47 3HD1 ILE 47 -4.522 1.316 0.222 341 HD12 ILE 47 1HD1 ILE 47 -5.206 2.835 -0.364 342 HD13 ILE 47 2HD1 ILE 47 -6.220 1.396 -0.249 343 H LYS 48 H LYS 48 -3.927 2.754 5.818 344 HA LYS 48 HA LYS 48 -2.444 5.218 6.280 345 HB2 LYS 48 2HB LYS 48 -3.450 3.947 8.164 346 HB3 LYS 48 1HB LYS 48 -2.420 2.579 7.778 347 HG2 LYS 48 2HG LYS 48 -1.489 3.740 9.651 348 HG3 LYS 48 1HG LYS 48 -0.436 3.988 8.259 349 HD2 LYS 48 2HD LYS 48 -0.741 6.056 9.545 350 HD3 LYS 48 1HD LYS 48 -1.386 6.207 7.911 351 HE2 LYS 48 2HE LYS 48 -2.884 7.214 9.576 352 HE3 LYS 48 1HE LYS 48 -3.651 5.863 8.748 353 HZ1 LYS 48 3HZ LYS 48 -2.408 5.726 11.442 354 HZ2 LYS 48 1HZ LYS 48 -3.218 4.469 10.655 355 HZ3 LYS 48 2HZ LYS 48 -4.063 5.847 11.140 356 H VAL 49 H VAL 49 -0.523 5.554 5.328 357 HA VAL 49 HA VAL 49 0.951 3.252 4.219 358 HB VAL 49 HB VAL 49 1.223 6.191 3.533 359 HG11 VAL 49 1HG1 VAL 49 2.391 3.746 2.188 360 HG12 VAL 49 2HG1 VAL 49 3.284 4.947 3.125 361 HG13 VAL 49 3HG1 VAL 49 2.522 5.406 1.602 362 HG21 VAL 49 3HG2 VAL 49 -0.179 3.985 2.011 363 HG22 VAL 49 1HG2 VAL 49 0.046 5.644 1.454 364 HG23 VAL 49 2HG2 VAL 49 -0.964 5.315 2.864 365 H ASP 50 H ASP 50 2.450 2.542 5.634 366 HA ASP 50 HA ASP 50 4.045 4.524 7.125 367 HB2 ASP 50 2HB ASP 50 2.686 2.814 8.418 368 HB3 ASP 50 1HB ASP 50 3.765 1.580 7.775 369 H GLY 51 H GLY 51 6.322 4.310 7.251 370 HA2 GLY 51 2HA GLY 51 8.409 3.319 6.642 371 HA3 GLY 51 1HA GLY 51 7.590 2.426 5.371 372 H GLU 52 H GLU 52 9.766 3.481 4.438 373 HA GLU 52 HA GLU 52 8.888 5.717 2.792 374 HB2 GLU 52 2HB GLU 52 9.910 6.785 4.777 375 HB3 GLU 52 1HB GLU 52 11.402 5.908 4.472 376 HG2 GLU 52 2HG GLU 52 11.628 8.162 3.677 377 HG3 GLU 52 1HG GLU 52 11.609 7.061 2.301 378 H VAL 53 H VAL 53 9.640 5.590 0.758 379 HA VAL 53 HA VAL 53 11.875 3.742 0.170 380 HB VAL 53 HB VAL 53 9.611 4.629 -1.644 381 HG11 VAL 53 1HG1 VAL 53 11.918 2.749 -2.200 382 HG12 VAL 53 2HG1 VAL 53 11.658 4.333 -2.931 383 HG13 VAL 53 3HG1 VAL 53 10.536 3.013 -3.266 384 HG21 VAL 53 3HG2 VAL 53 8.908 2.288 -1.553 385 HG22 VAL 53 1HG2 VAL 53 8.910 3.019 0.051 386 HG23 VAL 53 2HG2 VAL 53 10.216 1.931 -0.426 387 H ASP 54 H ASP 54 13.729 4.696 -0.407 388 HA ASP 54 HA ASP 54 13.693 7.435 -1.462 389 HB2 ASP 54 2HB ASP 54 15.149 7.058 0.466 390 HB3 ASP 54 1HB ASP 54 15.974 5.756 -0.385 391 H THR 55 H THR 55 14.488 7.964 -3.479 392 HA THR 55 HA THR 55 15.196 5.700 -5.240 393 HB THR 55 HB THR 55 14.385 7.061 -7.134 394 HG1 THR 55 HG1 THR 55 13.377 9.027 -6.774 395 HG21 THR 55 3HG2 THR 55 12.839 5.507 -6.053 396 HG22 THR 55 1HG2 THR 55 11.983 6.945 -6.612 397 HG23 THR 55 2HG2 THR 55 12.368 6.758 -4.900 398 H THR 56 H THR 56 16.890 7.817 -3.570 399 HA THR 56 HA THR 56 18.688 8.595 -5.786 400 HB THR 56 HB THR 56 19.861 10.031 -4.173 401 HG1 THR 56 HG1 THR 56 17.848 9.478 -2.249 402 HG21 THR 56 3HG2 THR 56 18.083 11.678 -3.787 403 HG22 THR 56 1HG2 THR 56 16.865 10.444 -4.114 404 HG23 THR 56 2HG2 THR 56 17.955 10.970 -5.399 405 H LYS 57 H LYS 57 18.438 6.534 -3.019 406 HA LYS 57 HA LYS 57 21.161 5.497 -3.484 407 HB2 LYS 57 2HB LYS 57 19.636 6.038 -0.994 408 HB3 LYS 57 1HB LYS 57 20.528 4.528 -1.009 409 HG2 LYS 57 2HG LYS 57 21.924 6.171 -0.007 410 HG3 LYS 57 1HG LYS 57 22.584 5.831 -1.604 411 HD2 LYS 57 2HD LYS 57 22.699 8.148 -1.486 412 HD3 LYS 57 1HD LYS 57 21.192 7.887 -2.362 413 HE2 LYS 57 2HE LYS 57 21.427 8.443 0.603 414 HE3 LYS 57 1HE LYS 57 20.988 9.628 -0.625 415 HZ1 LYS 57 3HZ LYS 57 19.438 7.215 0.137 416 HZ2 LYS 57 1HZ LYS 57 19.038 8.237 -1.150 417 HZ3 LYS 57 2HZ LYS 57 19.022 8.825 0.428 418 H ALA 58 H ALA 58 21.398 3.365 -3.948 419 HA ALA 58 HA ALA 58 19.081 1.838 -4.664 420 HB1 ALA 58 3HB ALA 58 20.665 0.128 -5.377 421 HB2 ALA 58 1HB ALA 58 21.979 0.993 -4.577 422 HB3 ALA 58 2HB ALA 58 21.159 1.718 -5.959 423 H GLY 59 H GLY 59 18.134 0.121 -3.619 424 HA2 GLY 59 2HA GLY 59 19.099 -1.615 -1.770 425 HA3 GLY 59 1HA GLY 59 18.723 -0.201 -0.800 426 H THR 60 H THR 60 17.379 -2.212 0.056 427 HA THR 60 HA THR 60 14.782 -2.314 -1.334 428 HB THR 60 HB THR 60 15.904 -4.143 0.806 429 HG1 THR 60 HG1 THR 60 16.547 -5.286 -0.846 430 HG21 THR 60 3HG2 THR 60 13.894 -5.519 0.428 431 HG22 THR 60 1HG2 THR 60 13.246 -4.276 -0.640 432 HG23 THR 60 2HG2 THR 60 13.478 -3.933 1.074 433 H TYR 61 H TYR 61 13.020 -1.399 -0.502 434 HA TYR 61 HA TYR 61 12.997 -0.530 2.320 435 HB2 TYR 61 2HB TYR 61 11.765 1.067 0.061 436 HB3 TYR 61 1HB TYR 61 12.042 1.580 1.722 437 HD1 TYR 61 HD1 TYR 61 14.342 2.165 2.475 438 HD2 TYR 61 HD2 TYR 61 13.512 1.175 -1.586 439 HE1 TYR 61 HE1 TYR 61 16.505 3.117 1.802 440 HE2 TYR 61 HE2 TYR 61 15.673 2.132 -2.263 441 HH TYR 61 HH TYR 61 17.325 3.719 -1.465 442 H VAL 62 H VAL 62 11.231 -1.268 3.413 443 HA VAL 62 HA VAL 62 9.071 -2.505 1.830 444 HB VAL 62 HB VAL 62 9.772 -2.943 4.744 445 HG11 VAL 62 1HG1 VAL 62 7.401 -3.336 4.286 446 HG12 VAL 62 2HG1 VAL 62 8.238 -4.851 4.618 447 HG13 VAL 62 3HG1 VAL 62 7.827 -4.417 2.959 448 HG21 VAL 62 3HG2 VAL 62 11.518 -3.792 3.253 449 HG22 VAL 62 1HG2 VAL 62 10.309 -4.691 2.334 450 HG23 VAL 62 2HG2 VAL 62 10.641 -5.120 4.013 451 H LEU 63 H LEU 63 7.162 -1.524 1.698 452 HA LEU 63 HA LEU 63 6.447 0.563 3.646 453 HB2 LEU 63 2HB LEU 63 5.261 -0.112 0.949 454 HB3 LEU 63 1HB LEU 63 4.738 1.211 1.977 455 HG LEU 63 HG LEU 63 7.480 0.950 0.725 456 HD11 LEU 63 1HD1 LEU 63 5.194 2.798 0.042 457 HD12 LEU 63 2HD1 LEU 63 5.730 1.422 -0.921 458 HD13 LEU 63 3HD1 LEU 63 6.797 2.806 -0.695 459 HD21 LEU 63 3HD2 LEU 63 6.258 3.202 2.328 460 HD22 LEU 63 1HD2 LEU 63 7.835 3.226 1.535 461 HD23 LEU 63 2HD2 LEU 63 7.541 2.117 2.874 462 H THR 64 H THR 64 4.530 0.526 4.808 463 HA THR 64 HA THR 64 3.013 -2.017 4.766 464 HB THR 64 HB THR 64 3.338 -0.087 7.085 465 HG1 THR 64 HG1 THR 64 4.616 -1.794 7.960 466 HG21 THR 64 3HG2 THR 64 1.193 -1.245 7.183 467 HG22 THR 64 1HG2 THR 64 2.280 -1.891 8.414 468 HG23 THR 64 2HG2 THR 64 1.992 -2.797 6.927 469 H TYR 65 H TYR 65 0.848 -1.960 4.444 470 HA TYR 65 HA TYR 65 -0.504 0.667 4.401 471 HB2 TYR 65 2HB TYR 65 -0.967 -1.634 2.479 472 HB3 TYR 65 1HB TYR 65 -1.823 -0.096 2.471 473 HD1 TYR 65 HD2 TYR 65 -0.677 1.964 1.736 474 HD2 TYR 65 HD1 TYR 65 1.262 -1.827 1.577 475 HE1 TYR 65 HE2 TYR 65 1.029 2.902 0.230 476 HE2 TYR 65 HE1 TYR 65 2.972 -0.898 0.080 477 HH TYR 65 HH TYR 65 3.382 2.414 -0.419 478 H THR 66 H THR 66 -1.985 0.721 5.980 479 HA THR 66 HA THR 66 -3.520 -1.745 6.584 480 HB THR 66 HB THR 66 -2.759 0.446 8.540 481 HG1 THR 66 HG1 THR 66 -1.088 -0.767 9.038 482 HG21 THR 66 3HG2 THR 66 -3.658 -1.086 10.250 483 HG22 THR 66 1HG2 THR 66 -4.178 -2.193 8.979 484 HG23 THR 66 2HG2 THR 66 -4.904 -0.590 9.105 485 H VAL 67 H VAL 67 -5.690 -1.595 6.345 486 HA VAL 67 HA VAL 67 -6.934 1.084 6.409 487 HB VAL 67 HB VAL 67 -6.670 0.401 4.068 488 HG11 VAL 67 1HG1 VAL 67 -6.703 -2.029 4.379 489 HG12 VAL 67 2HG1 VAL 67 -7.855 -1.513 3.147 490 HG13 VAL 67 3HG1 VAL 67 -8.424 -1.959 4.758 491 HG21 VAL 67 3HG2 VAL 67 -8.568 1.799 4.656 492 HG22 VAL 67 1HG2 VAL 67 -9.540 0.373 5.019 493 HG23 VAL 67 2HG2 VAL 67 -9.015 0.686 3.364 494 H THR 68 H THR 68 -8.888 1.247 7.429 495 HA THR 68 HA THR 68 -9.971 -1.231 8.631 496 HB THR 68 HB THR 68 -10.033 1.526 9.893 497 HG1 THR 68 HG1 THR 68 -8.490 -0.416 11.101 498 HG21 THR 68 3HG2 THR 68 -10.631 -1.211 11.044 499 HG22 THR 68 1HG2 THR 68 -11.835 0.012 10.627 500 HG23 THR 68 2HG2 THR 68 -10.678 0.317 11.925 501 H ASP 69 H ASP 69 -12.079 -1.634 8.393 502 HA ASP 69 HA ASP 69 -13.827 0.181 6.975 503 HB2 ASP 69 2HB ASP 69 -13.864 -2.246 6.552 504 HB3 ASP 69 1HB ASP 69 -14.292 -2.548 8.227 505 H SER 70 H SER 70 -15.762 1.085 7.838 506 HA SER 70 HA SER 70 -15.561 2.066 10.507 507 HB2 SER 70 2HB SER 70 -16.655 3.413 8.801 508 HB3 SER 70 1HB SER 70 -17.870 2.163 8.540 509 HG SER 70 HG SER 70 -17.479 3.481 11.028 510 H LYS 71 H LYS 71 -16.964 -0.743 9.132 511 HA LYS 71 HA LYS 71 -18.787 -1.288 11.305 512 HB2 LYS 71 2HB LYS 71 -17.908 -2.853 8.882 513 HB3 LYS 71 1HB LYS 71 -18.938 -3.563 10.115 514 HG2 LYS 71 2HG LYS 71 -20.242 -2.746 8.216 515 HG3 LYS 71 1HG LYS 71 -20.651 -1.881 9.698 516 HD2 LYS 71 2HD LYS 71 -19.265 0.011 8.991 517 HD3 LYS 71 1HD LYS 71 -18.797 -0.860 7.531 518 HE2 LYS 71 2HE LYS 71 -20.997 -0.750 6.650 519 HE3 LYS 71 1HE LYS 71 -21.667 -0.223 8.194 520 HZ1 LYS 71 3HZ LYS 71 -21.470 1.605 6.619 521 HZ2 LYS 71 1HZ LYS 71 -19.798 1.359 6.507 522 HZ3 LYS 71 2HZ LYS 71 -20.483 1.858 7.968 523 H GLY 72 H GLY 72 -15.458 -1.529 11.043 524 HA2 GLY 72 2HA GLY 72 -14.308 -2.043 13.102 525 HA3 GLY 72 1HA GLY 72 -15.450 -3.339 13.381 526 H HIS 73 H HIS 73 -14.727 -3.715 10.214 527 HA HIS 73 HA HIS 73 -12.792 -5.809 10.784 528 HB2 HIS 73 2HB HIS 73 -14.207 -4.982 8.243 529 HB3 HIS 73 1HB HIS 73 -13.019 -6.277 8.303 530 HD1 HIS 73 HD1 HIS 73 -16.509 -5.864 8.279 531 HD2 HIS 73 HD2 HIS 73 -13.926 -8.252 10.489 532 HE1 HIS 73 HE1 HIS 73 -17.911 -7.765 9.110 533 HE2 HIS 73 HE2 HIS 73 -16.328 -9.212 10.435 534 H GLU 74 H GLU 74 -10.632 -5.579 10.639 535 HA GLU 74 HA GLU 74 -9.557 -3.345 9.020 536 HB2 GLU 74 2HB GLU 74 -9.340 -2.866 11.411 537 HB3 GLU 74 1HB GLU 74 -8.514 -4.399 11.659 538 HG2 GLU 74 2HG GLU 74 -6.675 -3.615 10.208 539 HG3 GLU 74 1HG GLU 74 -7.503 -2.070 10.027 540 H VAL 75 H VAL 75 -8.012 -3.829 7.557 541 HA VAL 75 HA VAL 75 -6.568 -6.397 7.784 542 HB VAL 75 HB VAL 75 -6.678 -6.677 5.320 543 HG11 VAL 75 1HG1 VAL 75 -9.008 -7.445 5.204 544 HG12 VAL 75 2HG1 VAL 75 -9.383 -6.533 6.666 545 HG13 VAL 75 3HG1 VAL 75 -8.256 -7.888 6.736 546 HG21 VAL 75 3HG2 VAL 75 -8.654 -4.390 5.422 547 HG22 VAL 75 1HG2 VAL 75 -8.308 -5.386 4.009 548 HG23 VAL 75 2HG2 VAL 75 -7.054 -4.344 4.683 549 H THR 76 H THR 76 -4.446 -6.442 6.876 550 HA THR 76 HA THR 76 -3.327 -3.899 5.933 551 HB THR 76 HB THR 76 -2.987 -3.737 8.322 552 HG1 THR 76 HG1 THR 76 -1.185 -2.886 7.584 553 HG21 THR 76 3HG2 THR 76 -1.654 -5.392 9.565 554 HG22 THR 76 1HG2 THR 76 -1.593 -6.415 8.130 555 HG23 THR 76 2HG2 THR 76 -3.136 -6.102 8.925 556 H ALA 77 H ALA 77 -1.398 -4.056 4.767 557 HA ALA 77 HA ALA 77 -0.174 -6.670 4.329 558 HB1 ALA 77 3HB ALA 77 -2.028 -6.659 2.720 559 HB2 ALA 77 1HB ALA 77 -0.468 -6.608 1.896 560 HB3 ALA 77 2HB ALA 77 -1.438 -5.141 2.044 561 H LYS 78 H LYS 78 1.829 -6.485 2.963 562 HA LYS 78 HA LYS 78 2.980 -3.766 3.129 563 HB2 LYS 78 2HB LYS 78 4.277 -6.415 3.778 564 HB3 LYS 78 1HB LYS 78 5.189 -4.927 3.558 565 HG2 LYS 78 2HG LYS 78 3.959 -3.904 5.420 566 HG3 LYS 78 1HG LYS 78 3.055 -5.402 5.641 567 HD2 LYS 78 2HD LYS 78 5.098 -6.593 6.203 568 HD3 LYS 78 1HD LYS 78 6.063 -5.153 5.869 569 HE2 LYS 78 2HE LYS 78 5.751 -5.428 8.265 570 HE3 LYS 78 1HE LYS 78 4.926 -3.976 7.702 571 HZ1 LYS 78 3HZ LYS 78 2.847 -5.317 7.653 572 HZ2 LYS 78 1HZ LYS 78 3.502 -5.113 9.199 573 HZ3 LYS 78 2HZ LYS 78 3.690 -6.581 8.391 574 H GLN 79 H GLN 79 4.773 -3.316 1.700 575 HA GLN 79 HA GLN 79 4.809 -4.886 -0.801 576 HB2 GLN 79 2HB GLN 79 3.469 -2.940 -1.280 577 HB3 GLN 79 1HB GLN 79 4.625 -1.876 -0.484 578 HG2 GLN 79 2HG GLN 79 6.277 -2.401 -2.248 579 HG3 GLN 79 1HG GLN 79 5.067 -3.399 -3.050 580 HE21 GLN 79 1HE2 GLN 79 4.290 -0.368 -1.469 581 HE22 GLN 79 2HE2 GLN 79 3.940 0.502 -2.911 582 H THR 80 H THR 80 6.828 -5.551 -1.291 583 HA THR 80 HA THR 80 9.108 -4.307 0.080 584 HB THR 80 HB THR 80 9.131 -6.787 -1.665 585 HG1 THR 80 HG1 THR 80 7.779 -7.225 0.065 586 HG21 THR 80 3HG2 THR 80 11.334 -5.754 -1.282 587 HG22 THR 80 1HG2 THR 80 11.198 -7.310 -0.462 588 HG23 THR 80 2HG2 THR 80 11.056 -5.812 0.458 589 H VAL 81 H VAL 81 9.814 -2.516 -1.019 590 HA VAL 81 HA VAL 81 9.990 -2.611 -3.952 591 HB VAL 81 HB VAL 81 10.486 -0.265 -2.104 592 HG11 VAL 81 1HG1 VAL 81 10.195 1.089 -4.156 593 HG12 VAL 81 2HG1 VAL 81 10.104 -0.397 -5.101 594 HG13 VAL 81 3HG1 VAL 81 11.591 0.013 -4.244 595 HG21 VAL 81 3HG2 VAL 81 8.180 -1.018 -1.893 596 HG22 VAL 81 1HG2 VAL 81 7.991 -0.997 -3.647 597 HG23 VAL 81 2HG2 VAL 81 8.243 0.513 -2.771 598 H THR 82 H THR 82 11.900 -2.750 -5.033 599 HA THR 82 HA THR 82 14.400 -2.433 -3.485 600 HB THR 82 HB THR 82 13.872 -4.384 -5.750 601 HG1 THR 82 HG1 THR 82 14.543 -4.833 -3.000 602 HG21 THR 82 3HG2 THR 82 16.142 -3.493 -5.916 603 HG22 THR 82 1HG2 THR 82 16.176 -5.167 -5.358 604 HG23 THR 82 2HG2 THR 82 16.421 -3.850 -4.211 605 H VAL 83 H VAL 83 15.340 -0.599 -4.079 606 HA VAL 83 HA VAL 83 15.104 0.429 -6.806 607 HB VAL 83 HB VAL 83 16.442 1.673 -4.385 608 HG11 VAL 83 1HG1 VAL 83 16.323 3.770 -5.680 609 HG12 VAL 83 2HG1 VAL 83 15.696 2.870 -7.061 610 HG13 VAL 83 3HG1 VAL 83 17.329 2.558 -6.473 611 HG21 VAL 83 3HG2 VAL 83 14.054 1.385 -4.002 612 HG22 VAL 83 1HG2 VAL 83 13.693 2.160 -5.544 613 HG23 VAL 83 2HG2 VAL 83 14.432 3.089 -4.242 614 H LYS 84 H LYS 84 16.743 0.398 -8.274 615 HA LYS 84 HA LYS 84 19.434 -0.417 -7.355 616 HB2 LYS 84 2HB LYS 84 19.694 -1.739 -9.414 617 HB3 LYS 84 1HB LYS 84 18.380 -2.335 -8.407 618 HG2 LYS 84 2HG LYS 84 16.752 -1.253 -9.861 619 HG3 LYS 84 1HG LYS 84 18.056 -0.599 -10.855 620 HD2 LYS 84 2HD LYS 84 17.381 -3.519 -10.454 621 HD3 LYS 84 1HD LYS 84 17.122 -2.568 -11.919 622 HE2 LYS 84 2HE LYS 84 19.570 -2.239 -12.093 623 HE3 LYS 84 1HE LYS 84 19.789 -3.260 -10.673 624 HZ1 LYS 84 3HZ LYS 84 20.131 -4.644 -12.509 625 HZ2 LYS 84 1HZ LYS 84 18.788 -4.043 -13.343 626 HZ3 LYS 84 2HZ LYS 84 18.568 -5.018 -11.985 627 H VAL 85 H VAL 85 21.184 0.127 -8.944 628 HA VAL 85 HA VAL 85 20.880 2.911 -9.678 629 HB VAL 85 HB VAL 85 23.354 1.227 -10.105 630 HG11 VAL 85 1HG1 VAL 85 23.003 4.175 -9.534 631 HG12 VAL 85 2HG1 VAL 85 23.319 3.473 -11.118 632 HG13 VAL 85 3HG1 VAL 85 24.528 3.347 -9.844 633 HG21 VAL 85 3HG2 VAL 85 22.535 2.639 -7.558 634 HG22 VAL 85 1HG2 VAL 85 24.095 1.871 -7.855 635 HG23 VAL 85 2HG2 VAL 85 22.627 0.893 -7.790 636 H ARG 86 H ARG 86 21.191 3.793 -11.747 637 HA ARG 86 HA ARG 86 20.395 2.024 -13.932 638 HB2 ARG 86 2HB ARG 86 19.981 4.149 -15.159 639 HB3 ARG 86 1HB ARG 86 19.092 4.028 -13.649 640 HG2 ARG 86 2HG ARG 86 20.719 5.490 -12.558 641 HG3 ARG 86 1HG ARG 86 21.637 5.599 -14.061 642 HD2 ARG 86 2HD ARG 86 19.771 6.680 -15.164 643 HD3 ARG 86 1HD ARG 86 18.764 6.474 -13.731 644 HE ARG 86 HE ARG 86 21.011 7.911 -12.952 645 HH11 ARG 86 1HH1 ARG 86 18.383 8.341 -15.133 646 HH12 ARG 86 2HH1 ARG 86 18.329 10.052 -14.909 647 HH21 ARG 86 1HH2 ARG 86 20.946 10.120 -12.680 648 HH22 ARG 86 2HH2 ARG 86 19.765 11.051 -13.535 649 H GLU 87 H GLU 87 23.293 2.830 -12.738 650 HA GLU 87 HA GLU 87 24.647 2.439 -15.295 651 HB2 GLU 87 2HB GLU 87 25.324 4.718 -13.411 652 HB3 GLU 87 1HB GLU 87 26.324 4.213 -14.764 653 HG2 GLU 87 2HG GLU 87 24.441 4.766 -16.290 654 HG3 GLU 87 1HG GLU 87 23.557 5.401 -14.902 655 H GLU 88 H GLU 88 27.139 2.211 -14.813 656 HA GLU 88 HA GLU 88 27.395 0.286 -12.639 657 HB2 GLU 88 2HB GLU 88 29.069 0.964 -15.035 658 HB3 GLU 88 1HB GLU 88 29.794 0.097 -13.690 659 HG2 GLU 88 2HG GLU 88 29.089 -1.494 -15.321 660 HG3 GLU 88 1HG GLU 88 28.042 -1.638 -13.914 661 H VAL 89 H VAL 89 27.560 1.390 -10.739 662 HA VAL 89 HA VAL 89 30.014 3.001 -10.415 663 HB VAL 89 HB VAL 89 28.944 3.901 -8.306 664 HG11 VAL 89 1HG1 VAL 89 27.582 5.560 -9.498 665 HG12 VAL 89 2HG1 VAL 89 27.565 4.523 -10.924 666 HG13 VAL 89 3HG1 VAL 89 29.083 5.220 -10.358 667 HG21 VAL 89 3HG2 VAL 89 26.441 2.688 -9.504 668 HG22 VAL 89 1HG2 VAL 89 26.488 3.803 -8.136 669 HG23 VAL 89 2HG2 VAL 89 27.213 2.202 -7.996 670 H LYS 90 H LYS 90 31.478 1.450 -9.934 671 HA LYS 90 HA LYS 90 30.869 -0.869 -8.391 672 HB2 LYS 90 2HB LYS 90 33.278 -1.358 -8.550 673 HB3 LYS 90 1HB LYS 90 32.582 -0.948 -10.113 674 HG2 LYS 90 2HG LYS 90 33.667 1.101 -10.206 675 HG3 LYS 90 1HG LYS 90 33.922 1.160 -8.462 676 HD2 LYS 90 2HD LYS 90 35.547 -0.685 -8.652 677 HD3 LYS 90 1HD LYS 90 35.308 -0.700 -10.402 678 HE2 LYS 90 2HE LYS 90 36.268 1.451 -10.648 679 HE3 LYS 90 1HE LYS 90 36.188 1.767 -8.915 680 HZ1 LYS 90 3HZ LYS 90 37.857 0.067 -8.555 681 HZ2 LYS 90 1HZ LYS 90 38.432 1.249 -9.623 682 HZ3 LYS 90 2HZ LYS 90 37.933 -0.253 -10.219 683 H ASN 91 H ASN 91 32.152 -1.524 -6.480 684 HA ASN 91 HA ASN 91 32.574 0.722 -4.613 685 HB2 ASN 91 2HB ASN 91 31.893 -0.908 -2.808 686 HB3 ASN 91 1HB ASN 91 30.605 -0.451 -3.917 687 HD21 ASN 91 1HD2 ASN 91 30.752 -2.785 -2.251 688 HD22 ASN 91 2HD2 ASN 91 30.694 -4.152 -3.303 689 H ASP 92 H ASP 92 34.626 0.948 -3.991 690 HA ASP 92 HA ASP 92 36.476 -1.336 -4.246 691 HB2 ASP 92 2HB ASP 92 37.078 1.625 -3.972 692 HB3 ASP 92 1HB ASP 92 38.259 0.352 -4.271 693 H LYS 93 H LYS 93 34.887 -1.552 -2.059 694 HA LYS 93 HA LYS 93 34.800 -1.793 0.185 695 HB2 LYS 93 2HB LYS 93 37.792 -1.486 -0.080 696 HB3 LYS 93 1HB LYS 93 37.000 -1.856 1.444 697 HG2 LYS 93 2HG LYS 93 36.952 -3.543 -1.054 698 HG3 LYS 93 1HG LYS 93 37.859 -3.876 0.422 699 HD2 LYS 93 2HD LYS 93 34.848 -3.812 0.125 700 HD3 LYS 93 1HD LYS 93 35.855 -5.239 0.363 701 HE2 LYS 93 2HE LYS 93 35.517 -2.973 2.331 702 HE3 LYS 93 1HE LYS 93 34.737 -4.549 2.435 703 HZ1 LYS 93 3HZ LYS 93 36.947 -5.558 2.596 704 HZ2 LYS 93 1HZ LYS 93 36.657 -4.473 3.862 705 HZ3 LYS 93 2HZ LYS 93 37.655 -4.025 2.576 706 HA PRO 94 HA PRO 94 34.401 2.685 1.191 707 HB2 PRO 94 2HB PRO 94 32.502 1.359 3.080 708 HB3 PRO 94 1HB PRO 94 32.274 2.802 2.083 709 HG2 PRO 94 2HG PRO 94 31.136 0.501 1.384 710 HG3 PRO 94 1HG PRO 94 31.849 1.562 0.153 711 HD2 PRO 94 2HD PRO 94 32.942 -0.965 1.340 712 HD3 PRO 94 1HD PRO 94 33.008 -0.389 -0.339 713 H ILE 95 H ILE 95 36.366 3.003 2.211 714 HA ILE 95 HA ILE 95 37.107 1.557 4.595 715 HB ILE 95 HB ILE 95 39.128 2.974 4.592 716 HG12 ILE 95 2HG1 ILE 95 37.869 4.286 2.158 717 HG13 ILE 95 1HG1 ILE 95 38.097 5.053 3.726 718 HG21 ILE 95 1HG2 ILE 95 39.084 0.912 3.283 719 HG22 ILE 95 2HG2 ILE 95 40.072 2.135 2.489 720 HG23 ILE 95 3HG2 ILE 95 38.448 1.792 1.893 721 HD11 ILE 95 3HD1 ILE 95 40.513 4.866 3.468 722 HD12 ILE 95 1HD1 ILE 95 39.788 5.758 2.132 723 HD13 ILE 95 2HD1 ILE 95 40.289 4.084 1.904 724 H LEU 96 H LEU 96 34.973 3.991 4.222 725 HA LEU 96 HA LEU 96 35.666 5.694 6.426 726 HB2 LEU 96 2HB LEU 96 34.275 6.512 4.586 727 HB3 LEU 96 1HB LEU 96 33.046 5.320 4.962 728 HG LEU 96 HG LEU 96 32.681 6.427 7.159 729 HD11 LEU 96 1HD1 LEU 96 34.572 8.525 6.090 730 HD12 LEU 96 2HD1 LEU 96 34.882 7.443 7.447 731 HD13 LEU 96 3HD1 LEU 96 33.607 8.654 7.560 732 HD21 LEU 96 3HD2 LEU 96 31.503 8.387 6.278 733 HD22 LEU 96 1HD2 LEU 96 31.247 6.967 5.263 734 HD23 LEU 96 2HD2 LEU 96 32.373 8.226 4.751 735 H GLU 97 H GLU 97 35.798 4.769 8.391 736 HA GLU 97 HA GLU 97 33.834 2.762 9.217 737 HB2 GLU 97 2HB GLU 97 36.276 2.390 9.598 738 HB3 GLU 97 1HB GLU 97 36.283 3.765 10.694 739 HG2 GLU 97 2HG GLU 97 36.180 1.686 11.933 740 HG3 GLU 97 1HG GLU 97 34.696 2.612 12.157 Start of MODEL 2 1 H1 MET 1 1H MET 1 -37.004 -9.470 17.259 2 H2 MET 1 2H MET 1 -38.574 -9.461 17.878 3 H3 MET 1 3H MET 1 -38.210 -10.388 16.513 4 HA MET 1 HA MET 1 -37.086 -10.817 19.223 5 HB2 MET 1 2HB MET 1 -39.523 -11.343 19.001 6 HB3 MET 1 1HB MET 1 -39.122 -12.498 17.738 7 HG2 MET 1 2HG MET 1 -37.803 -13.791 19.340 8 HG3 MET 1 1HG MET 1 -38.196 -12.626 20.604 9 HE1 MET 1 3HE MET 1 -40.322 -15.691 21.724 10 HE2 MET 1 1HE MET 1 -39.132 -14.481 22.203 11 HE3 MET 1 2HE MET 1 -38.707 -15.715 21.016 12 H GLY 2 H GLY 2 -37.664 -12.449 16.071 13 HA2 GLY 2 2HA GLY 2 -35.239 -14.007 16.302 14 HA3 GLY 2 1HA GLY 2 -36.317 -13.943 14.918 15 H ASN 3 H ASN 3 -33.490 -12.597 16.408 16 HA ASN 3 HA ASN 3 -33.221 -10.255 14.866 17 HB2 ASN 3 2HB ASN 3 -31.123 -11.893 16.302 18 HB3 ASN 3 1HB ASN 3 -30.849 -10.283 15.638 19 HD21 ASN 3 1HD2 ASN 3 -30.695 -11.217 18.406 20 HD22 ASN 3 2HD2 ASN 3 -31.806 -10.234 19.294 21 H GLY 4 H GLY 4 -32.878 -10.060 12.765 22 HA2 GLY 4 2HA GLY 4 -31.247 -12.067 11.335 23 HA3 GLY 4 1HA GLY 4 -32.317 -10.887 10.585 24 H GLU 5 H GLU 5 -29.182 -11.409 12.041 25 HA GLU 5 HA GLU 5 -28.341 -8.662 11.905 26 HB2 GLU 5 2HB GLU 5 -27.397 -10.079 13.608 27 HB3 GLU 5 1HB GLU 5 -26.820 -11.226 12.406 28 HG2 GLU 5 2HG GLU 5 -25.230 -9.598 11.566 29 HG3 GLU 5 1HG GLU 5 -25.852 -8.382 12.678 30 H THR 6 H THR 6 -27.636 -7.609 10.163 31 HA THR 6 HA THR 6 -26.969 -8.969 7.705 32 HB THR 6 HB THR 6 -26.514 -6.703 6.804 33 HG1 THR 6 HG1 THR 6 -25.765 -5.772 8.813 34 HG21 THR 6 3HG2 THR 6 -28.807 -7.597 6.770 35 HG22 THR 6 1HG2 THR 6 -28.803 -5.844 6.963 36 HG23 THR 6 2HG2 THR 6 -29.107 -6.884 8.355 37 H SER 7 H SER 7 -25.065 -9.976 7.534 38 HA SER 7 HA SER 7 -22.829 -9.367 9.209 39 HB2 SER 7 2HB SER 7 -22.949 -11.189 6.790 40 HB3 SER 7 1HB SER 7 -21.699 -11.189 8.032 41 HG SER 7 HG SER 7 -23.667 -11.547 9.492 42 H ASP 8 H ASP 8 -21.354 -7.817 8.892 43 HA ASP 8 HA ASP 8 -20.896 -6.652 6.276 44 HB2 ASP 8 2HB ASP 8 -20.863 -5.164 8.205 45 HB3 ASP 8 1HB ASP 8 -19.590 -6.119 8.962 46 H LEU 9 H LEU 9 -19.279 -7.150 4.905 47 HA LEU 9 HA LEU 9 -17.282 -9.125 5.732 48 HB2 LEU 9 2HB LEU 9 -17.971 -8.026 3.002 49 HB3 LEU 9 1HB LEU 9 -16.732 -9.233 3.305 50 HG LEU 9 HG LEU 9 -19.708 -9.555 3.749 51 HD11 LEU 9 1HD1 LEU 9 -19.504 -11.297 2.026 52 HD12 LEU 9 2HD1 LEU 9 -17.815 -10.845 1.790 53 HD13 LEU 9 3HD1 LEU 9 -19.097 -9.693 1.421 54 HD21 LEU 9 3HD2 LEU 9 -18.487 -10.720 5.507 55 HD22 LEU 9 1HD2 LEU 9 -17.477 -11.517 4.300 56 HD23 LEU 9 2HD2 LEU 9 -19.203 -11.870 4.381 57 H GLU 10 H GLU 10 -15.127 -8.731 5.824 58 HA GLU 10 HA GLU 10 -14.307 -6.043 6.272 59 HB2 GLU 10 2HB GLU 10 -12.074 -7.053 6.704 60 HB3 GLU 10 1HB GLU 10 -13.378 -7.777 7.630 61 HG2 GLU 10 2HG GLU 10 -13.439 -9.589 5.845 62 HG3 GLU 10 1HG GLU 10 -11.905 -8.925 5.278 63 HA PRO 11 HA PRO 11 -13.087 -4.594 2.422 64 HB2 PRO 11 2HB PRO 11 -10.842 -3.131 2.914 65 HB3 PRO 11 1HB PRO 11 -12.458 -2.646 3.442 66 HG2 PRO 11 2HG PRO 11 -10.292 -4.017 5.008 67 HG3 PRO 11 1HG PRO 11 -11.331 -2.659 5.487 68 HD2 PRO 11 2HD PRO 11 -11.829 -5.184 6.281 69 HD3 PRO 11 1HD PRO 11 -13.137 -4.033 5.936 70 H LYS 12 H LYS 12 -12.115 -5.235 0.611 71 HA LYS 12 HA LYS 12 -9.923 -7.125 0.687 72 HB2 LYS 12 2HB LYS 12 -11.878 -7.325 -0.877 73 HB3 LYS 12 1HB LYS 12 -11.302 -5.889 -1.714 74 HG2 LYS 12 2HG LYS 12 -10.643 -7.855 -2.934 75 HG3 LYS 12 1HG LYS 12 -9.205 -7.091 -2.253 76 HD2 LYS 12 2HD LYS 12 -9.126 -8.723 -0.469 77 HD3 LYS 12 1HD LYS 12 -10.659 -9.424 -0.995 78 HE2 LYS 12 2HE LYS 12 -8.820 -10.816 -1.727 79 HE3 LYS 12 1HE LYS 12 -9.601 -10.077 -3.124 80 HZ1 LYS 12 3HZ LYS 12 -7.180 -10.019 -3.277 81 HZ2 LYS 12 1HZ LYS 12 -7.098 -9.121 -1.850 82 HZ3 LYS 12 2HZ LYS 12 -7.823 -8.456 -3.222 83 H LEU 13 H LEU 13 -7.998 -6.206 1.160 84 HA LEU 13 HA LEU 13 -7.276 -3.596 0.085 85 HB2 LEU 13 2HB LEU 13 -6.799 -4.084 2.425 86 HB3 LEU 13 1HB LEU 13 -5.833 -5.474 1.968 87 HG LEU 13 HG LEU 13 -4.201 -3.955 0.877 88 HD11 LEU 13 1HD1 LEU 13 -4.309 -1.549 1.293 89 HD12 LEU 13 2HD1 LEU 13 -5.884 -1.748 2.061 90 HD13 LEU 13 3HD1 LEU 13 -5.689 -2.100 0.344 91 HD21 LEU 13 3HD2 LEU 13 -4.772 -3.336 3.777 92 HD22 LEU 13 1HD2 LEU 13 -3.243 -3.047 2.943 93 HD23 LEU 13 2HD2 LEU 13 -3.827 -4.696 3.166 94 H THR 14 H THR 14 -6.373 -3.456 -1.882 95 HA THR 14 HA THR 14 -5.022 -5.757 -3.068 96 HB THR 14 HB THR 14 -5.629 -3.051 -4.303 97 HG1 THR 14 HG1 THR 14 -7.482 -4.448 -3.642 98 HG21 THR 14 3HG2 THR 14 -5.275 -4.205 -6.444 99 HG22 THR 14 1HG2 THR 14 -4.849 -5.682 -5.580 100 HG23 THR 14 2HG2 THR 14 -3.820 -4.254 -5.445 101 H VAL 15 H VAL 15 -2.921 -5.993 -2.613 102 HA VAL 15 HA VAL 15 -1.134 -3.656 -2.788 103 HB VAL 15 HB VAL 15 -1.055 -5.734 -0.582 104 HG11 VAL 15 1HG1 VAL 15 0.854 -3.457 -1.145 105 HG12 VAL 15 2HG1 VAL 15 1.209 -5.179 -1.283 106 HG13 VAL 15 3HG1 VAL 15 0.871 -4.475 0.297 107 HG21 VAL 15 3HG2 VAL 15 -2.749 -4.001 -0.230 108 HG22 VAL 15 1HG2 VAL 15 -1.522 -2.751 -0.448 109 HG23 VAL 15 2HG2 VAL 15 -1.428 -3.850 0.930 110 HA PRO 16 HA PRO 16 0.966 -6.631 -5.422 111 HB2 PRO 16 2HB PRO 16 3.052 -5.027 -6.132 112 HB3 PRO 16 1HB PRO 16 1.439 -4.882 -6.839 113 HG2 PRO 16 2HG PRO 16 2.718 -3.248 -4.686 114 HG3 PRO 16 1HG PRO 16 1.696 -2.720 -6.035 115 HD2 PRO 16 2HD PRO 16 0.775 -3.023 -3.482 116 HD3 PRO 16 1HD PRO 16 -0.249 -3.226 -4.915 117 H VAL 17 H VAL 17 2.500 -8.152 -5.006 118 HA VAL 17 HA VAL 17 3.672 -8.285 -2.442 119 HB VAL 17 HB VAL 17 3.052 -10.282 -3.735 120 HG11 VAL 17 1HG1 VAL 17 5.431 -9.630 -5.476 121 HG12 VAL 17 2HG1 VAL 17 3.736 -9.553 -5.957 122 HG13 VAL 17 3HG1 VAL 17 4.469 -11.106 -5.551 123 HG21 VAL 17 3HG2 VAL 17 5.030 -11.651 -3.200 124 HG22 VAL 17 1HG2 VAL 17 4.622 -10.530 -1.901 125 HG23 VAL 17 2HG2 VAL 17 5.974 -10.178 -2.977 126 H GLY 18 H GLY 18 5.013 -7.312 -5.571 127 HA2 GLY 18 2HA GLY 18 7.296 -6.108 -4.222 128 HA3 GLY 18 1HA GLY 18 7.680 -7.414 -5.330 129 H ALA 19 H ALA 19 8.507 -4.656 -5.500 130 HA ALA 19 HA ALA 19 7.712 -4.161 -8.263 131 HB1 ALA 19 3HB ALA 19 7.419 -2.025 -6.141 132 HB2 ALA 19 1HB ALA 19 6.096 -2.845 -6.969 133 HB3 ALA 19 2HB ALA 19 7.190 -1.801 -7.875 134 H THR 20 H THR 20 9.306 -3.087 -9.459 135 HA THR 20 HA THR 20 11.831 -2.547 -8.009 136 HB THR 20 HB THR 20 11.552 -3.667 -10.813 137 HG1 THR 20 HG1 THR 20 11.177 -5.328 -9.406 138 HG21 THR 20 3HG2 THR 20 13.990 -3.921 -10.739 139 HG22 THR 20 1HG2 THR 20 14.030 -3.147 -9.156 140 HG23 THR 20 2HG2 THR 20 13.531 -2.227 -10.575 141 H ILE 21 H ILE 21 12.457 -0.503 -8.084 142 HA ILE 21 HA ILE 21 11.986 1.074 -10.543 143 HB ILE 21 HB ILE 21 11.808 3.123 -9.158 144 HG12 ILE 21 2HG1 ILE 21 11.660 1.195 -6.817 145 HG13 ILE 21 1HG1 ILE 21 13.000 2.286 -7.157 146 HG21 ILE 21 1HG2 ILE 21 9.747 1.007 -8.515 147 HG22 ILE 21 2HG2 ILE 21 9.785 2.024 -9.958 148 HG23 ILE 21 3HG2 ILE 21 9.511 2.751 -8.374 149 HD11 ILE 21 3HD1 ILE 21 11.522 4.201 -6.829 150 HD12 ILE 21 1HD1 ILE 21 11.580 3.162 -5.403 151 HD13 ILE 21 2HD1 ILE 21 10.183 3.105 -6.480 152 H HIS 22 H HIS 22 13.527 3.168 -10.376 153 HA HIS 22 HA HIS 22 16.205 2.162 -9.621 154 HB2 HIS 22 2HB HIS 22 15.576 3.888 -12.022 155 HB3 HIS 22 1HB HIS 22 17.137 3.194 -11.599 156 HD1 HIS 22 HD1 HIS 22 13.931 2.437 -13.264 157 HD2 HIS 22 HD2 HIS 22 17.345 0.393 -12.069 158 HE1 HIS 22 HE1 HIS 22 13.848 0.229 -14.463 159 HE2 HIS 22 HE2 HIS 22 16.022 -0.897 -13.881 160 H VAL 23 H VAL 23 17.826 3.740 -9.124 161 HA VAL 23 HA VAL 23 17.099 5.971 -7.607 162 HB VAL 23 HB VAL 23 19.714 5.453 -9.057 163 HG11 VAL 23 1HG1 VAL 23 19.518 7.804 -8.435 164 HG12 VAL 23 2HG1 VAL 23 20.716 6.997 -7.421 165 HG13 VAL 23 3HG1 VAL 23 19.110 7.351 -6.779 166 HG21 VAL 23 3HG2 VAL 23 19.121 3.656 -7.515 167 HG22 VAL 23 1HG2 VAL 23 18.878 4.826 -6.217 168 HG23 VAL 23 2HG2 VAL 23 20.488 4.578 -6.892 169 H GLY 24 H GLY 24 16.098 7.759 -8.301 170 HA2 GLY 24 2HA GLY 24 16.247 9.803 -9.654 171 HA3 GLY 24 1HA GLY 24 16.718 8.793 -11.011 172 H ASP 25 H ASP 25 14.591 6.799 -10.040 173 HA ASP 25 HA ASP 25 12.423 7.798 -11.652 174 HB2 ASP 25 2HB ASP 25 12.693 5.264 -10.011 175 HB3 ASP 25 1HB ASP 25 11.341 5.617 -11.078 176 H SER 26 H SER 26 10.169 6.792 -10.378 177 HA SER 26 HA SER 26 9.973 8.124 -7.777 178 HB2 SER 26 2HB SER 26 7.809 9.219 -8.532 179 HB3 SER 26 1HB SER 26 9.279 9.898 -9.225 180 HG SER 26 HG SER 26 7.216 8.483 -10.440 181 H PHE 27 H PHE 27 8.087 7.530 -6.545 182 HA PHE 27 HA PHE 27 6.544 5.226 -7.495 183 HB2 PHE 27 2HB PHE 27 8.576 4.332 -6.320 184 HB3 PHE 27 1HB PHE 27 8.052 5.164 -4.860 185 HD1 PHE 27 HD2 PHE 27 7.377 2.372 -7.144 186 HD2 PHE 27 HD1 PHE 27 6.180 4.332 -3.552 187 HE1 PHE 27 HE2 PHE 27 6.005 0.424 -6.537 188 HE2 PHE 27 HE1 PHE 27 4.806 2.383 -2.947 189 HZ PHE 27 HZ PHE 27 4.717 0.428 -4.441 190 H VAL 28 H VAL 28 4.453 5.180 -6.685 191 HA VAL 28 HA VAL 28 3.787 7.264 -4.688 192 HB VAL 28 HB VAL 28 2.073 6.554 -7.080 193 HG11 VAL 28 1HG1 VAL 28 0.812 8.571 -6.467 194 HG12 VAL 28 2HG1 VAL 28 1.848 8.789 -5.056 195 HG13 VAL 28 3HG1 VAL 28 0.799 7.375 -5.171 196 HG21 VAL 28 3HG2 VAL 28 3.841 8.975 -6.678 197 HG22 VAL 28 1HG2 VAL 28 2.743 8.707 -8.033 198 HG23 VAL 28 2HG2 VAL 28 4.142 7.655 -7.808 199 HA PRO 29 HA PRO 29 2.258 3.327 -2.898 200 HB2 PRO 29 2HB PRO 29 1.963 4.354 -0.364 201 HB3 PRO 29 1HB PRO 29 3.476 3.700 -1.002 202 HG2 PRO 29 2HG PRO 29 2.579 6.555 -0.808 203 HG3 PRO 29 1HG PRO 29 4.166 5.853 -0.440 204 HD2 PRO 29 2HD PRO 29 3.705 7.157 -2.749 205 HD3 PRO 29 1HD PRO 29 4.773 5.737 -2.684 206 H MET 30 H MET 30 0.787 6.549 -2.584 207 HA MET 30 HA MET 30 -1.767 5.470 -1.747 208 HB2 MET 30 2HB MET 30 -0.908 8.258 -2.524 209 HB3 MET 30 1HB MET 30 -2.547 7.856 -2.035 210 HG2 MET 30 2HG MET 30 -0.303 7.122 -0.217 211 HG3 MET 30 1HG MET 30 -0.789 8.811 -0.323 212 HE1 MET 30 3HE MET 30 -3.464 5.374 1.241 213 HE2 MET 30 1HE MET 30 -1.797 5.190 0.696 214 HE3 MET 30 2HE MET 30 -3.083 5.493 -0.475 215 H ALA 31 H ALA 31 -0.299 5.416 -4.681 216 HA ALA 31 HA ALA 31 -2.877 5.595 -6.127 217 HB1 ALA 31 3HB ALA 31 -1.320 7.352 -6.820 218 HB2 ALA 31 1HB ALA 31 -1.644 6.217 -8.132 219 HB3 ALA 31 2HB ALA 31 -0.123 6.125 -7.242 220 H GLU 32 H GLU 32 0.233 3.871 -5.968 221 HA GLU 32 HA GLU 32 -0.617 1.826 -7.816 222 HB2 GLU 32 2HB GLU 32 1.826 2.016 -6.031 223 HB3 GLU 32 1HB GLU 32 1.574 0.780 -7.261 224 HG2 GLU 32 2HG GLU 32 1.524 2.498 -8.999 225 HG3 GLU 32 1HG GLU 32 1.740 3.748 -7.777 226 H VAL 33 H VAL 33 -1.541 2.389 -4.748 227 HA VAL 33 HA VAL 33 -2.088 -0.472 -4.221 228 HB VAL 33 HB VAL 33 -1.650 1.708 -2.154 229 HG11 VAL 33 1HG1 VAL 33 -3.319 0.083 -1.402 230 HG12 VAL 33 2HG1 VAL 33 -1.821 -0.088 -0.491 231 HG13 VAL 33 3HG1 VAL 33 -2.210 -1.239 -1.769 232 HG21 VAL 33 3HG2 VAL 33 0.434 1.008 -3.212 233 HG22 VAL 33 1HG2 VAL 33 0.055 -0.681 -2.871 234 HG23 VAL 33 2HG2 VAL 33 0.361 0.440 -1.544 235 H LEU 34 H LEU 34 -4.164 -0.922 -3.226 236 HA LEU 34 HA LEU 34 -6.190 1.187 -3.410 237 HB2 LEU 34 2HB LEU 34 -6.018 0.300 -5.667 238 HB3 LEU 34 1HB LEU 34 -6.202 -1.335 -5.080 239 HG LEU 34 HG LEU 34 -8.445 0.568 -4.545 240 HD11 LEU 34 1HD1 LEU 34 -9.413 0.186 -6.755 241 HD12 LEU 34 2HD1 LEU 34 -7.958 -0.676 -7.259 242 HD13 LEU 34 3HD1 LEU 34 -7.878 1.046 -6.884 243 HD21 LEU 34 3HD2 LEU 34 -8.576 -1.714 -3.713 244 HD22 LEU 34 1HD2 LEU 34 -8.292 -2.349 -5.333 245 HD23 LEU 34 2HD2 LEU 34 -9.775 -1.464 -4.978 246 H ALA 35 H ALA 35 -8.184 0.680 -2.332 247 HA ALA 35 HA ALA 35 -8.396 -1.910 -0.970 248 HB1 ALA 35 3HB ALA 35 -8.767 -0.898 1.222 249 HB2 ALA 35 1HB ALA 35 -8.453 0.703 0.549 250 HB3 ALA 35 2HB ALA 35 -7.163 -0.498 0.608 251 H ILE 36 H ILE 36 -10.452 -2.641 -1.044 252 HA ILE 36 HA ILE 36 -12.642 -0.681 -1.355 253 HB ILE 36 HB ILE 36 -12.278 -3.235 -2.936 254 HG12 ILE 36 2HG1 ILE 36 -11.010 -1.348 -3.822 255 HG13 ILE 36 1HG1 ILE 36 -12.358 -1.723 -4.891 256 HG21 ILE 36 1HG2 ILE 36 -14.615 -3.049 -2.300 257 HG22 ILE 36 2HG2 ILE 36 -14.430 -2.702 -4.019 258 HG23 ILE 36 3HG2 ILE 36 -14.664 -1.382 -2.873 259 HD11 ILE 36 3HD1 ILE 36 -12.063 0.671 -4.623 260 HD12 ILE 36 1HD1 ILE 36 -12.274 0.516 -2.880 261 HD13 ILE 36 2HD1 ILE 36 -13.614 0.149 -3.969 262 H ASP 37 H ASP 37 -14.323 -0.964 -0.048 263 HA ASP 37 HA ASP 37 -14.765 -3.599 1.219 264 HB2 ASP 37 2HB ASP 37 -14.220 -1.719 2.780 265 HB3 ASP 37 1HB ASP 37 -15.659 -0.877 2.218 266 H LYS 38 H LYS 38 -16.895 -4.429 1.229 267 HA LYS 38 HA LYS 38 -18.435 -3.742 -1.077 268 HB2 LYS 38 2HB LYS 38 -19.049 -5.621 1.210 269 HB3 LYS 38 1HB LYS 38 -20.023 -5.480 -0.246 270 HG2 LYS 38 2HG LYS 38 -18.122 -6.220 -1.600 271 HG3 LYS 38 1HG LYS 38 -17.136 -6.353 -0.141 272 HD2 LYS 38 2HD LYS 38 -17.995 -8.540 -0.804 273 HD3 LYS 38 1HD LYS 38 -18.678 -8.044 0.746 274 HE2 LYS 38 2HE LYS 38 -20.699 -7.229 -0.517 275 HE3 LYS 38 1HE LYS 38 -20.020 -7.984 -1.959 276 HZ1 LYS 38 3HZ LYS 38 -20.047 -10.113 -0.769 277 HZ2 LYS 38 1HZ LYS 38 -21.593 -9.449 -0.920 278 HZ3 LYS 38 2HZ LYS 38 -20.784 -9.363 0.558 279 H GLU 39 H GLU 39 -18.834 -3.169 2.379 280 HA GLU 39 HA GLU 39 -21.517 -2.140 2.054 281 HB2 GLU 39 2HB GLU 39 -19.722 -2.226 4.488 282 HB3 GLU 39 1HB GLU 39 -21.417 -1.755 4.493 283 HG2 GLU 39 2HG GLU 39 -21.356 -3.986 5.256 284 HG3 GLU 39 1HG GLU 39 -21.944 -4.058 3.598 285 H ASP 40 H ASP 40 -18.394 -0.706 3.150 286 HA ASP 40 HA ASP 40 -19.527 1.941 3.206 287 HB2 ASP 40 2HB ASP 40 -17.685 1.186 4.715 288 HB3 ASP 40 1HB ASP 40 -16.607 1.150 3.322 289 H GLY 41 H GLY 41 -17.175 0.311 1.072 290 HA2 GLY 41 2HA GLY 41 -17.541 0.766 -1.360 291 HA3 GLY 41 1HA GLY 41 -17.619 2.466 -0.918 292 H ASP 42 H ASP 42 -15.837 3.421 -1.748 293 HA ASP 42 HA ASP 42 -13.361 2.008 -2.101 294 HB2 ASP 42 2HB ASP 42 -14.184 3.789 -3.652 295 HB3 ASP 42 1HB ASP 42 -13.890 4.978 -2.386 296 H LEU 43 H LEU 43 -11.871 1.697 -0.576 297 HA LEU 43 HA LEU 43 -11.661 3.624 1.656 298 HB2 LEU 43 2HB LEU 43 -10.729 0.746 1.606 299 HB3 LEU 43 1HB LEU 43 -10.707 1.828 2.986 300 HG LEU 43 HG LEU 43 -13.127 0.613 1.651 301 HD11 LEU 43 1HD1 LEU 43 -13.505 -0.385 3.843 302 HD12 LEU 43 2HD1 LEU 43 -12.043 0.393 4.459 303 HD13 LEU 43 3HD1 LEU 43 -11.924 -0.840 3.203 304 HD21 LEU 43 3HD2 LEU 43 -13.595 2.955 2.237 305 HD22 LEU 43 1HD2 LEU 43 -13.079 2.628 3.892 306 HD23 LEU 43 2HD2 LEU 43 -14.503 1.820 3.238 307 H THR 44 H THR 44 -10.296 3.316 -1.160 308 HA THR 44 HA THR 44 -7.563 2.786 -0.800 309 HB THR 44 HB THR 44 -8.786 4.686 -2.824 310 HG1 THR 44 HG1 THR 44 -9.632 2.935 -3.649 311 HG21 THR 44 3HG2 THR 44 -6.195 3.120 -2.884 312 HG22 THR 44 1HG2 THR 44 -6.345 4.867 -2.694 313 HG23 THR 44 2HG2 THR 44 -6.836 4.099 -4.204 314 H SER 45 H SER 45 -9.397 5.779 -0.414 315 HA SER 45 HA SER 45 -7.101 7.426 0.108 316 HB2 SER 45 2HB SER 45 -10.037 7.914 0.702 317 HB3 SER 45 1HB SER 45 -8.764 9.130 0.792 318 HG SER 45 HG SER 45 -8.631 9.193 -1.347 319 H LYS 46 H LYS 46 -8.773 5.140 1.979 320 HA LYS 46 HA LYS 46 -8.161 6.428 4.543 321 HB2 LYS 46 2HB LYS 46 -9.748 3.929 3.946 322 HB3 LYS 46 1HB LYS 46 -9.538 4.650 5.538 323 HG2 LYS 46 2HG LYS 46 -10.678 6.683 4.755 324 HG3 LYS 46 1HG LYS 46 -10.917 5.926 3.178 325 HD2 LYS 46 2HD LYS 46 -12.190 4.120 4.288 326 HD3 LYS 46 1HD LYS 46 -12.012 4.965 5.821 327 HE2 LYS 46 2HE LYS 46 -13.275 6.852 4.963 328 HE3 LYS 46 1HE LYS 46 -13.370 6.102 3.372 329 HZ1 LYS 46 3HZ LYS 46 -15.405 5.867 4.747 330 HZ2 LYS 46 1HZ LYS 46 -14.534 4.908 5.829 331 HZ3 LYS 46 2HZ LYS 46 -14.765 4.389 4.235 332 H ILE 47 H ILE 47 -6.318 4.800 2.547 333 HA ILE 47 HA ILE 47 -5.338 2.672 4.258 334 HB ILE 47 HB ILE 47 -4.205 3.747 1.662 335 HG12 ILE 47 2HG1 ILE 47 -5.898 1.286 2.188 336 HG13 ILE 47 1HG1 ILE 47 -6.462 2.767 1.419 337 HG21 ILE 47 1HG2 ILE 47 -3.531 1.228 3.193 338 HG22 ILE 47 2HG2 ILE 47 -2.486 2.630 2.971 339 HG23 ILE 47 3HG2 ILE 47 -2.929 1.634 1.586 340 HD11 ILE 47 3HD1 ILE 47 -4.898 2.403 -0.422 341 HD12 ILE 47 1HD1 ILE 47 -6.012 1.049 -0.225 342 HD13 ILE 47 2HD1 ILE 47 -4.348 0.912 0.346 343 H LYS 48 H LYS 48 -4.008 3.061 5.917 344 HA LYS 48 HA LYS 48 -2.281 5.395 6.009 345 HB2 LYS 48 2HB LYS 48 -3.424 4.593 8.054 346 HB3 LYS 48 1HB LYS 48 -2.562 3.067 7.939 347 HG2 LYS 48 2HG LYS 48 -1.524 4.452 9.614 348 HG3 LYS 48 1HG LYS 48 -0.426 4.280 8.243 349 HD2 LYS 48 2HD LYS 48 -0.398 6.577 8.988 350 HD3 LYS 48 1HD LYS 48 -1.191 6.499 7.413 351 HE2 LYS 48 2HE LYS 48 -2.429 7.982 8.868 352 HE3 LYS 48 1HE LYS 48 -3.388 6.537 8.553 353 HZ1 LYS 48 3HZ LYS 48 -2.631 5.667 10.717 354 HZ2 LYS 48 1HZ LYS 48 -3.512 7.101 10.866 355 HZ3 LYS 48 2HZ LYS 48 -1.831 7.121 11.012 356 H VAL 49 H VAL 49 -0.184 5.428 5.367 357 HA VAL 49 HA VAL 49 1.026 2.868 4.527 358 HB VAL 49 HB VAL 49 1.742 5.671 3.625 359 HG11 VAL 49 1HG1 VAL 49 3.031 4.526 1.861 360 HG12 VAL 49 2HG1 VAL 49 2.653 2.972 2.606 361 HG13 VAL 49 3HG1 VAL 49 3.638 4.151 3.474 362 HG21 VAL 49 3HG2 VAL 49 0.655 5.060 1.504 363 HG22 VAL 49 1HG2 VAL 49 -0.485 5.051 2.850 364 HG23 VAL 49 2HG2 VAL 49 0.140 3.530 2.214 365 H ASP 50 H ASP 50 2.515 2.074 5.860 366 HA ASP 50 HA ASP 50 4.214 3.875 7.442 367 HB2 ASP 50 2HB ASP 50 3.182 2.144 8.753 368 HB3 ASP 50 1HB ASP 50 3.687 0.900 7.616 369 H GLY 51 H GLY 51 6.433 3.923 7.234 370 HA2 GLY 51 2HA GLY 51 8.533 3.056 6.477 371 HA3 GLY 51 1HA GLY 51 7.687 2.183 5.209 372 H GLU 52 H GLU 52 9.759 3.411 4.267 373 HA GLU 52 HA GLU 52 8.686 5.638 2.729 374 HB2 GLU 52 2HB GLU 52 9.600 6.731 4.718 375 HB3 GLU 52 1HB GLU 52 11.141 5.922 4.477 376 HG2 GLU 52 2HG GLU 52 11.437 7.150 2.367 377 HG3 GLU 52 1HG GLU 52 9.905 7.978 2.650 378 H VAL 53 H VAL 53 9.368 5.520 0.666 379 HA VAL 53 HA VAL 53 11.752 3.888 0.043 380 HB VAL 53 HB VAL 53 9.446 4.651 -1.772 381 HG11 VAL 53 1HG1 VAL 53 11.844 2.890 -2.306 382 HG12 VAL 53 2HG1 VAL 53 11.535 4.471 -3.021 383 HG13 VAL 53 3HG1 VAL 53 10.475 3.112 -3.395 384 HG21 VAL 53 3HG2 VAL 53 8.791 2.989 -0.115 385 HG22 VAL 53 1HG2 VAL 53 10.181 1.993 -0.542 386 HG23 VAL 53 2HG2 VAL 53 8.892 2.256 -1.716 387 H ASP 54 H ASP 54 13.512 5.076 -0.319 388 HA ASP 54 HA ASP 54 13.270 7.775 -1.424 389 HB2 ASP 54 2HB ASP 54 14.678 7.630 0.516 390 HB3 ASP 54 1HB ASP 54 15.593 6.291 -0.177 391 H THR 55 H THR 55 14.253 8.422 -3.342 392 HA THR 55 HA THR 55 14.911 6.214 -5.189 393 HB THR 55 HB THR 55 14.250 7.733 -7.020 394 HG1 THR 55 HG1 THR 55 13.188 9.713 -6.420 395 HG21 THR 55 3HG2 THR 55 12.574 6.226 -6.031 396 HG22 THR 55 1HG2 THR 55 11.840 7.730 -6.583 397 HG23 THR 55 2HG2 THR 55 12.140 7.477 -4.865 398 H THR 56 H THR 56 16.595 8.361 -3.406 399 HA THR 56 HA THR 56 18.581 8.916 -5.520 400 HB THR 56 HB THR 56 19.704 10.407 -3.953 401 HG1 THR 56 HG1 THR 56 17.693 9.570 -2.098 402 HG21 THR 56 3HG2 THR 56 17.967 12.119 -3.691 403 HG22 THR 56 1HG2 THR 56 16.719 10.905 -3.981 404 HG23 THR 56 2HG2 THR 56 17.846 11.336 -5.267 405 H LYS 57 H LYS 57 18.024 6.949 -2.729 406 HA LYS 57 HA LYS 57 20.753 5.844 -2.936 407 HB2 LYS 57 2HB LYS 57 20.289 6.860 -0.752 408 HB3 LYS 57 1HB LYS 57 18.858 5.858 -0.572 409 HG2 LYS 57 2HG LYS 57 20.685 4.997 0.762 410 HG3 LYS 57 1HG LYS 57 20.263 3.855 -0.514 411 HD2 LYS 57 2HD LYS 57 22.168 4.578 -1.837 412 HD3 LYS 57 1HD LYS 57 22.556 5.824 -0.648 413 HE2 LYS 57 2HE LYS 57 22.576 2.847 -0.131 414 HE3 LYS 57 1HE LYS 57 24.001 3.841 -0.429 415 HZ1 LYS 57 3HZ LYS 57 23.650 3.461 1.933 416 HZ2 LYS 57 1HZ LYS 57 22.119 4.174 1.846 417 HZ3 LYS 57 2HZ LYS 57 23.502 5.103 1.561 418 H ALA 58 H ALA 58 20.879 3.856 -3.798 419 HA ALA 58 HA ALA 58 18.576 2.328 -4.481 420 HB1 ALA 58 3HB ALA 58 20.637 2.302 -5.813 421 HB2 ALA 58 1HB ALA 58 20.148 0.675 -5.334 422 HB3 ALA 58 2HB ALA 58 21.475 1.484 -4.495 423 H GLY 59 H GLY 59 17.782 0.406 -3.653 424 HA2 GLY 59 2HA GLY 59 18.722 -1.398 -1.892 425 HA3 GLY 59 1HA GLY 59 18.305 -0.064 -0.827 426 H THR 60 H THR 60 17.055 -2.441 -0.425 427 HA THR 60 HA THR 60 14.430 -2.279 -1.736 428 HB THR 60 HB THR 60 15.574 -4.419 0.080 429 HG1 THR 60 HG1 THR 60 16.487 -4.849 -1.817 430 HG21 THR 60 3HG2 THR 60 13.597 -5.742 -0.561 431 HG22 THR 60 1HG2 THR 60 12.947 -4.348 -1.421 432 HG23 THR 60 2HG2 THR 60 13.142 -4.291 0.331 433 H TYR 61 H TYR 61 12.772 -1.312 -0.783 434 HA TYR 61 HA TYR 61 12.804 -0.904 2.147 435 HB2 TYR 61 2HB TYR 61 11.413 0.819 0.072 436 HB3 TYR 61 1HB TYR 61 11.574 1.159 1.791 437 HD1 TYR 61 HD2 TYR 61 13.352 1.040 -1.433 438 HD2 TYR 61 HD1 TYR 61 13.631 2.083 2.690 439 HE1 TYR 61 HE2 TYR 61 15.438 2.260 -1.889 440 HE2 TYR 61 HE1 TYR 61 15.713 3.311 2.239 441 HH TYR 61 HH TYR 61 16.794 4.023 -0.947 442 H VAL 62 H VAL 62 11.196 -1.868 3.267 443 HA VAL 62 HA VAL 62 8.954 -3.060 1.795 444 HB VAL 62 HB VAL 62 9.782 -3.481 4.679 445 HG11 VAL 62 1HG1 VAL 62 7.414 -3.940 4.331 446 HG12 VAL 62 2HG1 VAL 62 8.296 -5.446 4.579 447 HG13 VAL 62 3HG1 VAL 62 7.796 -4.976 2.954 448 HG21 VAL 62 3HG2 VAL 62 10.663 -5.648 3.895 449 HG22 VAL 62 1HG2 VAL 62 11.505 -4.285 3.157 450 HG23 VAL 62 2HG2 VAL 62 10.301 -5.184 2.231 451 H LEU 63 H LEU 63 7.061 -2.028 1.713 452 HA LEU 63 HA LEU 63 6.440 0.004 3.759 453 HB2 LEU 63 2HB LEU 63 5.198 -0.428 1.037 454 HB3 LEU 63 1HB LEU 63 4.821 0.882 2.140 455 HG LEU 63 HG LEU 63 7.446 0.435 0.707 456 HD11 LEU 63 1HD1 LEU 63 5.363 2.601 0.430 457 HD12 LEU 63 2HD1 LEU 63 5.690 1.313 -0.729 458 HD13 LEU 63 3HD1 LEU 63 6.910 2.545 -0.414 459 HD21 LEU 63 3HD2 LEU 63 6.676 2.575 2.695 460 HD22 LEU 63 1HD2 LEU 63 8.141 2.577 1.710 461 HD23 LEU 63 2HD2 LEU 63 7.894 1.316 2.918 462 H THR 64 H THR 64 4.716 -0.178 5.089 463 HA THR 64 HA THR 64 2.964 -2.541 4.805 464 HB THR 64 HB THR 64 3.559 -0.805 7.215 465 HG1 THR 64 HG1 THR 64 5.128 -2.344 6.990 466 HG21 THR 64 3HG2 THR 64 1.194 -1.380 7.280 467 HG22 THR 64 1HG2 THR 64 2.074 -2.321 8.484 468 HG23 THR 64 2HG2 THR 64 1.575 -3.075 6.968 469 H TYR 65 H TYR 65 0.843 -2.318 4.375 470 HA TYR 65 HA TYR 65 -0.325 0.395 4.401 471 HB2 TYR 65 2HB TYR 65 -1.023 -1.899 2.543 472 HB3 TYR 65 1HB TYR 65 -1.715 -0.279 2.505 473 HD1 TYR 65 HD2 TYR 65 -0.251 1.667 1.854 474 HD2 TYR 65 HD1 TYR 65 1.053 -2.375 1.485 475 HE1 TYR 65 HE2 TYR 65 1.537 2.379 0.322 476 HE2 TYR 65 HE1 TYR 65 2.840 -1.664 -0.036 477 HH TYR 65 HH TYR 65 3.716 1.582 -0.450 478 H THR 66 H THR 66 -1.834 0.624 5.921 479 HA THR 66 HA THR 66 -3.504 -1.714 6.651 480 HB THR 66 HB THR 66 -2.607 0.548 8.462 481 HG1 THR 66 HG1 THR 66 -1.699 -1.500 9.541 482 HG21 THR 66 3HG2 THR 66 -4.847 -0.209 9.062 483 HG22 THR 66 1HG2 THR 66 -3.678 -0.755 10.264 484 HG23 THR 66 2HG2 THR 66 -4.301 -1.886 9.063 485 H VAL 67 H VAL 67 -5.661 -1.473 6.373 486 HA VAL 67 HA VAL 67 -6.730 1.270 6.083 487 HB VAL 67 HB VAL 67 -6.518 0.200 3.877 488 HG11 VAL 67 1HG1 VAL 67 -6.743 -2.137 4.526 489 HG12 VAL 67 2HG1 VAL 67 -7.920 -1.725 3.278 490 HG13 VAL 67 3HG1 VAL 67 -8.433 -1.872 4.958 491 HG21 VAL 67 3HG2 VAL 67 -8.301 1.826 4.261 492 HG22 VAL 67 1HG2 VAL 67 -9.387 0.531 4.772 493 HG23 VAL 67 2HG2 VAL 67 -8.808 0.594 3.107 494 H THR 68 H THR 68 -8.763 1.691 6.916 495 HA THR 68 HA THR 68 -9.839 -0.389 8.720 496 HB THR 68 HB THR 68 -10.158 2.616 8.984 497 HG1 THR 68 HG1 THR 68 -8.560 1.081 10.725 498 HG21 THR 68 3HG2 THR 68 -10.741 0.359 10.918 499 HG22 THR 68 1HG2 THR 68 -11.941 1.349 10.086 500 HG23 THR 68 2HG2 THR 68 -10.870 2.080 11.281 501 H ASP 69 H ASP 69 -11.893 -1.032 8.551 502 HA ASP 69 HA ASP 69 -13.615 0.060 6.465 503 HB2 ASP 69 2HB ASP 69 -13.351 -2.326 6.482 504 HB3 ASP 69 1HB ASP 69 -13.743 -2.422 8.192 505 H SER 70 H SER 70 -15.823 0.633 6.858 506 HA SER 70 HA SER 70 -16.140 2.455 8.974 507 HB2 SER 70 2HB SER 70 -17.351 2.668 6.848 508 HB3 SER 70 1HB SER 70 -18.286 1.224 7.227 509 HG SER 70 HG SER 70 -18.508 3.811 8.213 510 H LYS 71 H LYS 71 -17.041 -0.927 8.757 511 HA LYS 71 HA LYS 71 -18.605 -0.776 11.224 512 HB2 LYS 71 2HB LYS 71 -18.017 -3.074 9.352 513 HB3 LYS 71 1HB LYS 71 -18.990 -3.221 10.810 514 HG2 LYS 71 2HG LYS 71 -19.637 -1.339 8.544 515 HG3 LYS 71 1HG LYS 71 -20.287 -2.972 8.685 516 HD2 LYS 71 2HD LYS 71 -21.280 -2.349 10.873 517 HD3 LYS 71 1HD LYS 71 -20.686 -0.703 10.646 518 HE2 LYS 71 2HE LYS 71 -22.066 -0.433 8.673 519 HE3 LYS 71 1HE LYS 71 -22.581 -2.117 8.763 520 HZ1 LYS 71 3HZ LYS 71 -23.639 -1.616 10.895 521 HZ2 LYS 71 1HZ LYS 71 -24.271 -0.668 9.648 522 HZ3 LYS 71 2HZ LYS 71 -23.184 0.004 10.750 523 H GLY 72 H GLY 72 -15.405 -0.794 10.731 524 HA2 GLY 72 2HA GLY 72 -13.967 -0.839 12.630 525 HA3 GLY 72 1HA GLY 72 -14.993 -2.053 13.360 526 H HIS 73 H HIS 73 -14.338 -2.885 10.138 527 HA HIS 73 HA HIS 73 -12.428 -4.920 10.987 528 HB2 HIS 73 2HB HIS 73 -13.780 -4.386 8.334 529 HB3 HIS 73 1HB HIS 73 -12.610 -5.677 8.582 530 HD1 HIS 73 HD1 HIS 73 -16.099 -5.208 8.422 531 HD2 HIS 73 HD2 HIS 73 -13.586 -7.405 10.905 532 HE1 HIS 73 HE1 HIS 73 -17.539 -6.995 9.431 533 HE2 HIS 73 HE2 HIS 73 -15.953 -8.428 10.756 534 H GLU 74 H GLU 74 -10.285 -4.494 11.011 535 HA GLU 74 HA GLU 74 -9.208 -2.592 9.011 536 HB2 GLU 74 2HB GLU 74 -9.224 -1.684 11.320 537 HB3 GLU 74 1HB GLU 74 -8.217 -3.028 11.841 538 HG2 GLU 74 2HG GLU 74 -6.427 -2.278 10.368 539 HG3 GLU 74 1HG GLU 74 -7.438 -0.952 9.798 540 H VAL 75 H VAL 75 -7.885 -3.536 7.585 541 HA VAL 75 HA VAL 75 -6.360 -5.940 8.407 542 HB VAL 75 HB VAL 75 -6.480 -6.726 6.074 543 HG11 VAL 75 1HG1 VAL 75 -8.849 -7.383 6.072 544 HG12 VAL 75 2HG1 VAL 75 -9.190 -6.160 7.294 545 HG13 VAL 75 3HG1 VAL 75 -8.140 -7.522 7.682 546 HG21 VAL 75 3HG2 VAL 75 -8.042 -5.659 4.490 547 HG22 VAL 75 1HG2 VAL 75 -6.713 -4.587 4.931 548 HG23 VAL 75 2HG2 VAL 75 -8.308 -4.353 5.646 549 H THR 76 H THR 76 -4.302 -6.305 7.276 550 HA THR 76 HA THR 76 -3.050 -3.895 6.154 551 HB THR 76 HB THR 76 -2.574 -3.699 8.527 552 HG1 THR 76 HG1 THR 76 -0.778 -2.980 7.654 553 HG21 THR 76 3HG2 THR 76 -1.278 -5.398 9.733 554 HG22 THR 76 1HG2 THR 76 -1.345 -6.456 8.323 555 HG23 THR 76 2HG2 THR 76 -2.825 -6.045 9.188 556 H ALA 77 H ALA 77 -1.331 -4.238 4.797 557 HA ALA 77 HA ALA 77 -0.186 -6.915 4.497 558 HB1 ALA 77 3HB ALA 77 -2.114 -6.925 2.984 559 HB2 ALA 77 1HB ALA 77 -0.597 -6.984 2.087 560 HB3 ALA 77 2HB ALA 77 -1.504 -5.475 2.188 561 H LYS 78 H LYS 78 1.754 -6.906 3.071 562 HA LYS 78 HA LYS 78 3.074 -4.256 3.113 563 HB2 LYS 78 2HB LYS 78 4.264 -6.982 3.645 564 HB3 LYS 78 1HB LYS 78 5.219 -5.520 3.440 565 HG2 LYS 78 2HG LYS 78 4.090 -4.527 5.389 566 HG3 LYS 78 1HG LYS 78 3.183 -6.026 5.607 567 HD2 LYS 78 2HD LYS 78 5.245 -7.255 5.986 568 HD3 LYS 78 1HD LYS 78 6.200 -5.806 5.665 569 HE2 LYS 78 2HE LYS 78 6.022 -6.217 8.062 570 HE3 LYS 78 1HE LYS 78 5.209 -4.717 7.622 571 HZ1 LYS 78 3HZ LYS 78 3.096 -5.856 7.732 572 HZ2 LYS 78 1HZ LYS 78 3.927 -6.040 9.195 573 HZ3 LYS 78 2HZ LYS 78 3.857 -7.319 8.089 574 H GLN 79 H GLN 79 4.692 -3.811 1.548 575 HA GLN 79 HA GLN 79 4.688 -5.498 -0.879 576 HB2 GLN 79 2HB GLN 79 3.287 -3.638 -1.452 577 HB3 GLN 79 1HB GLN 79 4.383 -2.491 -0.690 578 HG2 GLN 79 2HG GLN 79 6.073 -3.010 -2.428 579 HG3 GLN 79 1HG GLN 79 4.901 -4.064 -3.214 580 HE21 GLN 79 1HE2 GLN 79 4.027 -1.039 -1.693 581 HE22 GLN 79 2HE2 GLN 79 3.647 -0.209 -3.152 582 H THR 80 H THR 80 6.672 -5.881 -1.750 583 HA THR 80 HA THR 80 9.018 -4.739 -0.399 584 HB THR 80 HB THR 80 8.856 -7.002 -2.417 585 HG1 THR 80 HG1 THR 80 8.377 -8.192 -0.748 586 HG21 THR 80 3HG2 THR 80 11.060 -5.924 -2.416 587 HG22 THR 80 1HG2 THR 80 11.144 -7.532 -1.699 588 HG23 THR 80 2HG2 THR 80 11.154 -6.104 -0.665 589 H VAL 81 H VAL 81 9.571 -2.781 -1.270 590 HA VAL 81 HA VAL 81 9.605 -2.493 -4.199 591 HB VAL 81 HB VAL 81 10.002 -0.354 -2.088 592 HG11 VAL 81 1HG1 VAL 81 9.544 -0.139 -5.069 593 HG12 VAL 81 2HG1 VAL 81 11.043 0.224 -4.213 594 HG13 VAL 81 3HG1 VAL 81 9.611 1.218 -3.943 595 HG21 VAL 81 3HG2 VAL 81 7.745 -1.268 -1.953 596 HG22 VAL 81 1HG2 VAL 81 7.531 -1.050 -3.691 597 HG23 VAL 81 2HG2 VAL 81 7.706 0.356 -2.640 598 H THR 82 H THR 82 11.492 -3.285 -5.024 599 HA THR 82 HA THR 82 14.022 -2.753 -3.637 600 HB THR 82 HB THR 82 13.383 -4.524 -6.009 601 HG1 THR 82 HG1 THR 82 14.297 -5.108 -3.359 602 HG21 THR 82 3HG2 THR 82 15.616 -3.565 -6.330 603 HG22 THR 82 1HG2 THR 82 15.724 -5.276 -5.915 604 HG23 THR 82 2HG2 THR 82 16.071 -4.050 -4.694 605 H VAL 83 H VAL 83 15.130 -0.985 -4.114 606 HA VAL 83 HA VAL 83 14.762 0.351 -6.698 607 HB VAL 83 HB VAL 83 16.208 1.359 -4.236 608 HG11 VAL 83 1HG1 VAL 83 16.012 3.567 -5.298 609 HG12 VAL 83 2HG1 VAL 83 15.282 2.815 -6.718 610 HG13 VAL 83 3HG1 VAL 83 16.951 2.446 -6.286 611 HG21 VAL 83 3HG2 VAL 83 14.210 2.722 -3.811 612 HG22 VAL 83 1HG2 VAL 83 13.843 0.998 -3.747 613 HG23 VAL 83 2HG2 VAL 83 13.391 1.942 -5.167 614 H LYS 84 H LYS 84 16.169 -0.100 -8.261 615 HA LYS 84 HA LYS 84 18.966 -0.754 -7.611 616 HB2 LYS 84 2HB LYS 84 17.443 -1.066 -10.214 617 HB3 LYS 84 1HB LYS 84 19.121 -1.529 -9.957 618 HG2 LYS 84 2HG LYS 84 18.365 -3.143 -8.230 619 HG3 LYS 84 1HG LYS 84 16.694 -2.732 -8.627 620 HD2 LYS 84 2HD LYS 84 17.044 -3.489 -10.927 621 HD3 LYS 84 1HD LYS 84 18.729 -3.858 -10.559 622 HE2 LYS 84 2HE LYS 84 17.943 -5.496 -8.861 623 HE3 LYS 84 1HE LYS 84 16.285 -5.185 -9.383 624 HZ1 LYS 84 3HZ LYS 84 16.867 -5.964 -11.589 625 HZ2 LYS 84 1HZ LYS 84 17.219 -7.153 -10.442 626 HZ3 LYS 84 2HZ LYS 84 18.467 -6.228 -11.110 627 H VAL 85 H VAL 85 20.509 0.093 -9.518 628 HA VAL 85 HA VAL 85 20.087 3.010 -9.553 629 HB VAL 85 HB VAL 85 22.648 1.503 -10.124 630 HG11 VAL 85 1HG1 VAL 85 23.733 3.672 -9.783 631 HG12 VAL 85 2HG1 VAL 85 22.160 4.424 -9.527 632 HG13 VAL 85 3HG1 VAL 85 22.565 3.745 -11.102 633 HG21 VAL 85 3HG2 VAL 85 23.346 2.110 -7.852 634 HG22 VAL 85 1HG2 VAL 85 21.912 1.084 -7.826 635 HG23 VAL 85 2HG2 VAL 85 21.760 2.817 -7.547 636 H ARG 86 H ARG 86 19.437 3.959 -11.401 637 HA ARG 86 HA ARG 86 19.819 2.589 -13.958 638 HB2 ARG 86 2HB ARG 86 18.320 4.228 -14.918 639 HB3 ARG 86 1HB ARG 86 17.608 3.610 -13.436 640 HG2 ARG 86 2HG ARG 86 18.215 5.614 -12.244 641 HG3 ARG 86 1HG ARG 86 19.110 6.214 -13.637 642 HD2 ARG 86 2HD ARG 86 16.820 6.015 -14.866 643 HD3 ARG 86 1HD ARG 86 16.149 6.011 -13.231 644 HE ARG 86 HE ARG 86 18.015 8.144 -13.737 645 HH11 ARG 86 1HH1 ARG 86 14.694 7.213 -13.767 646 HH12 ARG 86 2HH1 ARG 86 14.142 8.848 -13.891 647 HH21 ARG 86 1HH2 ARG 86 17.304 10.198 -13.859 648 HH22 ARG 86 2HH2 ARG 86 15.606 10.525 -13.935 649 H GLU 87 H GLU 87 20.653 5.679 -12.423 650 HA GLU 87 HA GLU 87 22.781 6.071 -14.432 651 HB2 GLU 87 2HB GLU 87 21.141 8.239 -13.086 652 HB3 GLU 87 1HB GLU 87 22.414 8.489 -14.275 653 HG2 GLU 87 2HG GLU 87 21.101 7.431 -15.993 654 HG3 GLU 87 1HG GLU 87 19.870 6.964 -14.826 655 H GLU 88 H GLU 88 24.463 5.320 -13.271 656 HA GLU 88 HA GLU 88 24.804 5.498 -10.503 657 HB2 GLU 88 2HB GLU 88 27.139 4.798 -10.904 658 HB3 GLU 88 1HB GLU 88 25.974 3.814 -11.770 659 HG2 GLU 88 2HG GLU 88 27.563 6.052 -13.018 660 HG3 GLU 88 1HG GLU 88 28.033 4.356 -13.056 661 H VAL 89 H VAL 89 25.719 6.914 -9.144 662 HA VAL 89 HA VAL 89 26.296 9.576 -10.118 663 HB VAL 89 HB VAL 89 26.428 8.520 -7.280 664 HG11 VAL 89 1HG1 VAL 89 26.270 11.360 -8.312 665 HG12 VAL 89 2HG1 VAL 89 27.694 10.598 -7.605 666 HG13 VAL 89 3HG1 VAL 89 26.261 10.873 -6.615 667 HG21 VAL 89 3HG2 VAL 89 24.190 8.239 -8.204 668 HG22 VAL 89 1HG2 VAL 89 24.176 9.924 -8.730 669 HG23 VAL 89 2HG2 VAL 89 24.197 9.536 -7.010 670 H LYS 90 H LYS 90 28.251 10.490 -10.383 671 HA LYS 90 HA LYS 90 30.612 8.816 -10.230 672 HB2 LYS 90 2HB LYS 90 31.715 10.661 -11.398 673 HB3 LYS 90 1HB LYS 90 30.191 10.249 -12.175 674 HG2 LYS 90 2HG LYS 90 29.129 12.159 -10.958 675 HG3 LYS 90 1HG LYS 90 30.730 12.608 -10.373 676 HD2 LYS 90 2HD LYS 90 30.183 13.954 -12.297 677 HD3 LYS 90 1HD LYS 90 31.483 12.839 -12.724 678 HE2 LYS 90 2HE LYS 90 29.900 11.371 -13.835 679 HE3 LYS 90 1HE LYS 90 28.554 12.398 -13.334 680 HZ1 LYS 90 3HZ LYS 90 30.773 13.270 -15.100 681 HZ2 LYS 90 1HZ LYS 90 29.399 14.166 -14.696 682 HZ3 LYS 90 2HZ LYS 90 29.253 12.776 -15.643 683 H ASN 91 H ASN 91 29.209 10.197 -7.774 684 HA ASN 91 HA ASN 91 31.653 11.403 -6.636 685 HB2 ASN 91 2HB ASN 91 28.813 12.201 -5.957 686 HB3 ASN 91 1HB ASN 91 30.296 12.984 -5.417 687 HD21 ASN 91 1HD2 ASN 91 31.451 14.279 -6.882 688 HD22 ASN 91 2HD2 ASN 91 30.733 14.846 -8.345 689 H ASP 92 H ASP 92 32.404 9.668 -5.457 690 HA ASP 92 HA ASP 92 30.606 8.305 -3.596 691 HB2 ASP 92 2HB ASP 92 32.243 7.006 -4.926 692 HB3 ASP 92 1HB ASP 92 33.557 7.871 -4.135 693 H LYS 93 H LYS 93 32.409 11.091 -3.557 694 HA LYS 93 HA LYS 93 33.507 11.049 -0.930 695 HB2 LYS 93 2HB LYS 93 32.791 13.307 -2.808 696 HB3 LYS 93 1HB LYS 93 33.484 13.592 -1.219 697 HG2 LYS 93 2HG LYS 93 35.254 13.694 -2.795 698 HG3 LYS 93 1HG LYS 93 35.439 12.185 -1.902 699 HD2 LYS 93 2HD LYS 93 34.391 10.966 -3.769 700 HD3 LYS 93 1HD LYS 93 34.233 12.481 -4.661 701 HE2 LYS 93 2HE LYS 93 36.697 12.734 -4.593 702 HE3 LYS 93 1HE LYS 93 36.813 11.167 -3.791 703 HZ1 LYS 93 3HZ LYS 93 35.723 11.665 -6.506 704 HZ2 LYS 93 1HZ LYS 93 35.768 10.159 -5.741 705 HZ3 LYS 93 2HZ LYS 93 37.207 10.946 -6.148 706 HA PRO 94 HA PRO 94 29.980 11.843 1.634 707 HB2 PRO 94 2HB PRO 94 30.915 13.629 3.472 708 HB3 PRO 94 1HB PRO 94 31.372 11.922 3.463 709 HG2 PRO 94 2HG PRO 94 32.870 14.287 2.381 710 HG3 PRO 94 1HG PRO 94 33.476 12.918 3.332 711 HD2 PRO 94 2HD PRO 94 33.778 13.048 0.648 712 HD3 PRO 94 1HD PRO 94 33.544 11.507 1.500 713 H ILE 95 H ILE 95 29.079 12.970 -0.390 714 HA ILE 95 HA ILE 95 28.755 15.865 -0.026 715 HB ILE 95 HB ILE 95 27.870 14.063 -2.294 716 HG12 ILE 95 2HG1 ILE 95 30.122 16.088 -2.088 717 HG13 ILE 95 1HG1 ILE 95 30.298 14.340 -2.197 718 HG21 ILE 95 1HG2 ILE 95 27.715 17.076 -2.075 719 HG22 ILE 95 2HG2 ILE 95 26.347 15.962 -2.033 720 HG23 ILE 95 3HG2 ILE 95 27.309 16.121 -3.501 721 HD11 ILE 95 3HD1 ILE 95 29.196 16.151 -4.335 722 HD12 ILE 95 1HD1 ILE 95 29.336 14.395 -4.447 723 HD13 ILE 95 2HD1 ILE 95 30.786 15.389 -4.317 724 H LEU 96 H LEU 96 27.193 16.426 1.331 725 HA LEU 96 HA LEU 96 24.761 14.773 1.536 726 HB2 LEU 96 2HB LEU 96 26.119 15.059 3.583 727 HB3 LEU 96 1HB LEU 96 25.904 16.795 3.472 728 HG LEU 96 HG LEU 96 23.459 16.494 3.797 729 HD11 LEU 96 1HD1 LEU 96 23.204 14.260 2.907 730 HD12 LEU 96 2HD1 LEU 96 22.614 14.322 4.565 731 HD13 LEU 96 3HD1 LEU 96 24.182 13.594 4.216 732 HD21 LEU 96 3HD2 LEU 96 25.200 15.277 5.948 733 HD22 LEU 96 1HD2 LEU 96 23.570 15.910 6.180 734 HD23 LEU 96 2HD2 LEU 96 24.876 16.994 5.708 735 H GLU 97 H GLU 97 22.743 15.649 1.271 736 HA GLU 97 HA GLU 97 22.589 18.479 0.418 737 HB2 GLU 97 2HB GLU 97 22.113 16.856 -1.392 738 HB3 GLU 97 1HB GLU 97 20.816 16.168 -0.423 739 HG2 GLU 97 2HG GLU 97 19.650 18.342 -0.482 740 HG3 GLU 97 1HG GLU 97 20.934 18.980 -1.507 Start of MODEL 3 1 H1 MET 1 1H MET 1 -33.463 -6.395 13.255 2 H2 MET 1 2H MET 1 -34.653 -7.498 12.782 3 H3 MET 1 3H MET 1 -33.058 -8.013 12.993 4 HA MET 1 HA MET 1 -33.153 -7.577 15.338 5 HB2 MET 1 2HB MET 1 -35.247 -6.905 16.411 6 HB3 MET 1 1HB MET 1 -34.733 -5.690 15.249 7 HG2 MET 1 2HG MET 1 -36.375 -6.469 13.651 8 HG3 MET 1 1HG MET 1 -36.847 -7.780 14.734 9 HE1 MET 1 3HE MET 1 -39.400 -7.019 14.485 10 HE2 MET 1 1HE MET 1 -38.915 -5.698 13.422 11 HE3 MET 1 2HE MET 1 -39.962 -5.378 14.802 12 H GLY 2 H GLY 2 -34.645 -8.944 16.950 13 HA2 GLY 2 2HA GLY 2 -35.622 -10.968 17.468 14 HA3 GLY 2 1HA GLY 2 -36.156 -11.082 15.799 15 H ASN 3 H ASN 3 -34.560 -11.852 14.207 16 HA ASN 3 HA ASN 3 -32.307 -13.387 15.281 17 HB2 ASN 3 2HB ASN 3 -34.309 -14.892 15.303 18 HB3 ASN 3 1HB ASN 3 -34.461 -14.662 13.563 19 HD21 ASN 3 1HD2 ASN 3 -34.155 -16.846 13.146 20 HD22 ASN 3 2HD2 ASN 3 -32.614 -17.609 13.309 21 H GLY 4 H GLY 4 -30.781 -14.061 13.636 22 HA2 GLY 4 2HA GLY 4 -30.198 -14.184 11.261 23 HA3 GLY 4 1HA GLY 4 -31.112 -12.702 11.023 24 H GLU 5 H GLU 5 -28.145 -14.065 12.356 25 HA GLU 5 HA GLU 5 -26.990 -11.437 12.799 26 HB2 GLU 5 2HB GLU 5 -24.984 -12.652 13.525 27 HB3 GLU 5 1HB GLU 5 -26.425 -13.244 14.338 28 HG2 GLU 5 2HG GLU 5 -26.480 -15.143 12.729 29 HG3 GLU 5 1HG GLU 5 -24.943 -14.579 12.075 30 H THR 6 H THR 6 -25.987 -10.273 11.281 31 HA THR 6 HA THR 6 -25.210 -11.614 8.763 32 HB THR 6 HB THR 6 -25.554 -9.433 7.640 33 HG1 THR 6 HG1 THR 6 -26.781 -8.551 10.054 34 HG21 THR 6 3HG2 THR 6 -28.012 -9.413 7.745 35 HG22 THR 6 1HG2 THR 6 -27.955 -10.410 9.199 36 HG23 THR 6 2HG2 THR 6 -27.381 -11.058 7.662 37 H SER 7 H SER 7 -23.177 -11.463 8.051 38 HA SER 7 HA SER 7 -21.254 -9.932 9.667 39 HB2 SER 7 2HB SER 7 -20.769 -12.221 7.739 40 HB3 SER 7 1HB SER 7 -19.554 -11.462 8.769 41 HG SER 7 HG SER 7 -21.000 -13.505 9.392 42 H ASP 8 H ASP 8 -20.351 -8.141 8.856 43 HA ASP 8 HA ASP 8 -20.554 -7.413 6.083 44 HB2 ASP 8 2HB ASP 8 -20.604 -5.577 7.556 45 HB3 ASP 8 1HB ASP 8 -19.238 -6.172 8.490 46 H LEU 9 H LEU 9 -18.956 -7.393 4.526 47 HA LEU 9 HA LEU 9 -16.746 -9.222 4.882 48 HB2 LEU 9 2HB LEU 9 -17.449 -7.473 2.512 49 HB3 LEU 9 1HB LEU 9 -16.292 -8.790 2.512 50 HG LEU 9 HG LEU 9 -19.286 -9.049 2.878 51 HD11 LEU 9 1HD1 LEU 9 -19.198 -10.219 0.719 52 HD12 LEU 9 2HD1 LEU 9 -17.475 -9.860 0.598 53 HD13 LEU 9 3HD1 LEU 9 -18.652 -8.547 0.583 54 HD21 LEU 9 3HD2 LEU 9 -17.154 -11.189 2.801 55 HD22 LEU 9 1HD2 LEU 9 -18.896 -11.467 2.825 56 HD23 LEU 9 2HD2 LEU 9 -18.104 -10.717 4.211 57 H GLU 10 H GLU 10 -14.818 -8.600 5.712 58 HA GLU 10 HA GLU 10 -14.044 -5.973 6.234 59 HB2 GLU 10 2HB GLU 10 -12.154 -8.290 5.740 60 HB3 GLU 10 1HB GLU 10 -11.784 -6.799 6.598 61 HG2 GLU 10 2HG GLU 10 -12.110 -8.238 8.345 62 HG3 GLU 10 1HG GLU 10 -13.722 -7.550 8.179 63 HA PRO 11 HA PRO 11 -13.098 -4.114 2.412 64 HB2 PRO 11 2HB PRO 11 -10.809 -2.668 3.061 65 HB3 PRO 11 1HB PRO 11 -12.466 -2.154 3.394 66 HG2 PRO 11 2HG PRO 11 -10.494 -3.484 5.211 67 HG3 PRO 11 1HG PRO 11 -11.634 -2.172 5.561 68 HD2 PRO 11 2HD PRO 11 -12.144 -4.684 6.332 69 HD3 PRO 11 1HD PRO 11 -13.447 -3.627 5.744 70 H LYS 12 H LYS 12 -12.115 -4.774 0.582 71 HA LYS 12 HA LYS 12 -9.964 -6.706 0.744 72 HB2 LYS 12 2HB LYS 12 -11.908 -6.945 -0.835 73 HB3 LYS 12 1HB LYS 12 -11.285 -5.568 -1.735 74 HG2 LYS 12 2HG LYS 12 -10.646 -7.652 -2.808 75 HG3 LYS 12 1HG LYS 12 -9.217 -6.806 -2.205 76 HD2 LYS 12 2HD LYS 12 -9.245 -8.263 -0.198 77 HD3 LYS 12 1HD LYS 12 -10.620 -9.137 -0.875 78 HE2 LYS 12 2HE LYS 12 -9.263 -9.835 -2.774 79 HE3 LYS 12 1HE LYS 12 -7.892 -8.913 -2.153 80 HZ1 LYS 12 3HZ LYS 12 -7.649 -11.219 -1.592 81 HZ2 LYS 12 1HZ LYS 12 -9.169 -11.254 -0.855 82 HZ3 LYS 12 2HZ LYS 12 -7.920 -10.340 -0.174 83 H LEU 13 H LEU 13 -7.940 -6.018 0.951 84 HA LEU 13 HA LEU 13 -7.136 -3.415 -0.145 85 HB2 LEU 13 2HB LEU 13 -6.725 -3.866 2.238 86 HB3 LEU 13 1HB LEU 13 -5.747 -5.254 1.814 87 HG LEU 13 HG LEU 13 -4.114 -3.754 0.714 88 HD11 LEU 13 1HD1 LEU 13 -4.258 -1.335 1.056 89 HD12 LEU 13 2HD1 LEU 13 -5.847 -1.532 1.798 90 HD13 LEU 13 3HD1 LEU 13 -5.610 -1.934 0.097 91 HD21 LEU 13 3HD2 LEU 13 -4.734 -3.047 3.584 92 HD22 LEU 13 1HD2 LEU 13 -3.194 -2.784 2.766 93 HD23 LEU 13 2HD2 LEU 13 -3.780 -4.425 3.034 94 H THR 14 H THR 14 -6.316 -3.472 -2.145 95 HA THR 14 HA THR 14 -4.896 -5.809 -3.147 96 HB THR 14 HB THR 14 -5.511 -3.173 -4.516 97 HG1 THR 14 HG1 THR 14 -6.753 -5.726 -4.839 98 HG21 THR 14 3HG2 THR 14 -4.491 -5.781 -5.671 99 HG22 THR 14 1HG2 THR 14 -3.576 -4.277 -5.535 100 HG23 THR 14 2HG2 THR 14 -4.975 -4.366 -6.604 101 H VAL 15 H VAL 15 -2.825 -6.035 -2.596 102 HA VAL 15 HA VAL 15 -0.991 -3.749 -2.900 103 HB VAL 15 HB VAL 15 -1.020 -5.658 -0.542 104 HG11 VAL 15 1HG1 VAL 15 1.285 -5.241 -1.263 105 HG12 VAL 15 2HG1 VAL 15 0.955 -4.456 0.280 106 HG13 VAL 15 3HG1 VAL 15 0.996 -3.502 -1.203 107 HG21 VAL 15 3HG2 VAL 15 -2.637 -3.844 -0.341 108 HG22 VAL 15 1HG2 VAL 15 -1.372 -2.660 -0.671 109 HG23 VAL 15 2HG2 VAL 15 -1.314 -3.627 0.804 110 HA PRO 16 HA PRO 16 1.165 -6.953 -5.187 111 HB2 PRO 16 2HB PRO 16 3.257 -5.478 -6.043 112 HB3 PRO 16 1HB PRO 16 1.631 -5.281 -6.709 113 HG2 PRO 16 2HG PRO 16 3.072 -3.607 -4.695 114 HG3 PRO 16 1HG PRO 16 2.017 -3.101 -6.026 115 HD2 PRO 16 2HD PRO 16 1.222 -3.284 -3.385 116 HD3 PRO 16 1HD PRO 16 0.119 -3.366 -4.771 117 H VAL 17 H VAL 17 2.770 -8.428 -4.738 118 HA VAL 17 HA VAL 17 3.919 -8.403 -2.146 119 HB VAL 17 HB VAL 17 3.333 -10.491 -3.291 120 HG11 VAL 17 1HG1 VAL 17 3.971 -9.876 -5.568 121 HG12 VAL 17 2HG1 VAL 17 4.731 -11.393 -5.088 122 HG13 VAL 17 3HG1 VAL 17 5.675 -9.903 -5.109 123 HG21 VAL 17 3HG2 VAL 17 5.333 -11.794 -2.700 124 HG22 VAL 17 1HG2 VAL 17 4.966 -10.576 -1.476 125 HG23 VAL 17 2HG2 VAL 17 6.278 -10.307 -2.624 126 H GLY 18 H GLY 18 5.219 -7.528 -5.309 127 HA2 GLY 18 2HA GLY 18 7.613 -6.464 -3.992 128 HA3 GLY 18 1HA GLY 18 7.851 -7.658 -5.254 129 H ALA 19 H ALA 19 8.929 -5.094 -5.356 130 HA ALA 19 HA ALA 19 7.767 -4.114 -7.842 131 HB1 ALA 19 3HB ALA 19 8.132 -2.297 -5.450 132 HB2 ALA 19 1HB ALA 19 6.588 -2.811 -6.130 133 HB3 ALA 19 2HB ALA 19 7.669 -1.787 -7.073 134 H THR 20 H THR 20 9.240 -2.747 -9.050 135 HA THR 20 HA THR 20 11.977 -2.546 -7.985 136 HB THR 20 HB THR 20 11.342 -3.731 -10.705 137 HG1 THR 20 HG1 THR 20 11.837 -4.823 -8.232 138 HG21 THR 20 3HG2 THR 20 13.774 -4.018 -10.926 139 HG22 THR 20 1HG2 THR 20 14.018 -3.166 -9.401 140 HG23 THR 20 2HG2 THR 20 13.343 -2.314 -10.790 141 H ILE 21 H ILE 21 12.609 -0.498 -8.136 142 HA ILE 21 HA ILE 21 11.988 1.017 -10.596 143 HB ILE 21 HB ILE 21 11.804 3.098 -9.255 144 HG12 ILE 21 2HG1 ILE 21 11.764 1.204 -6.885 145 HG13 ILE 21 1HG1 ILE 21 13.045 2.351 -7.261 146 HG21 ILE 21 1HG2 ILE 21 9.800 0.956 -8.524 147 HG22 ILE 21 2HG2 ILE 21 9.789 1.934 -9.990 148 HG23 ILE 21 3HG2 ILE 21 9.529 2.697 -8.423 149 HD11 ILE 21 3HD1 ILE 21 11.617 3.171 -5.485 150 HD12 ILE 21 1HD1 ILE 21 10.206 3.049 -6.538 151 HD13 ILE 21 2HD1 ILE 21 11.490 4.200 -6.911 152 H HIS 22 H HIS 22 13.469 3.100 -10.612 153 HA HIS 22 HA HIS 22 16.192 2.265 -9.807 154 HB2 HIS 22 2HB HIS 22 15.323 3.765 -12.289 155 HB3 HIS 22 1HB HIS 22 17.000 3.541 -11.806 156 HD1 HIS 22 HD1 HIS 22 14.128 1.781 -13.375 157 HD2 HIS 22 HD2 HIS 22 18.001 0.921 -12.140 158 HE1 HIS 22 HE1 HIS 22 14.683 -0.434 -14.406 159 HE2 HIS 22 HE2 HIS 22 17.095 -0.826 -13.817 160 H VAL 23 H VAL 23 17.746 4.027 -9.504 161 HA VAL 23 HA VAL 23 16.929 6.151 -7.896 162 HB VAL 23 HB VAL 23 19.400 5.920 -9.637 163 HG11 VAL 23 1HG1 VAL 23 19.043 8.257 -9.097 164 HG12 VAL 23 2HG1 VAL 23 20.396 7.630 -8.154 165 HG13 VAL 23 3HG1 VAL 23 18.821 7.860 -7.393 166 HG21 VAL 23 3HG2 VAL 23 19.201 4.145 -7.973 167 HG22 VAL 23 1HG2 VAL 23 18.976 5.343 -6.698 168 HG23 VAL 23 2HG2 VAL 23 20.515 5.243 -7.554 169 H GLY 24 H GLY 24 16.275 8.251 -8.294 170 HA2 GLY 24 2HA GLY 24 15.937 10.202 -9.584 171 HA3 GLY 24 1HA GLY 24 16.331 9.294 -11.034 172 H ASP 25 H ASP 25 14.338 7.158 -9.958 173 HA ASP 25 HA ASP 25 12.027 8.199 -11.336 174 HB2 ASP 25 2HB ASP 25 12.477 5.572 -9.895 175 HB3 ASP 25 1HB ASP 25 11.032 5.965 -10.819 176 H SER 26 H SER 26 9.840 7.278 -10.074 177 HA SER 26 HA SER 26 9.866 8.233 -7.295 178 HB2 SER 26 2HB SER 26 7.972 9.285 -9.420 179 HB3 SER 26 1HB SER 26 7.805 9.583 -7.689 180 HG SER 26 HG SER 26 10.230 10.218 -8.963 181 H PHE 27 H PHE 27 8.300 7.312 -5.981 182 HA PHE 27 HA PHE 27 6.600 5.226 -7.213 183 HB2 PHE 27 2HB PHE 27 8.529 4.424 -5.750 184 HB3 PHE 27 1HB PHE 27 7.699 5.169 -4.390 185 HD1 PHE 27 HD1 PHE 27 5.564 4.237 -3.576 186 HD2 PHE 27 HD2 PHE 27 7.753 2.388 -6.724 187 HE1 PHE 27 HE1 PHE 27 4.240 2.180 -3.286 188 HE2 PHE 27 HE2 PHE 27 6.436 0.336 -6.440 189 HZ PHE 27 HZ PHE 27 4.676 0.227 -4.723 190 H VAL 28 H VAL 28 4.433 5.252 -6.722 191 HA VAL 28 HA VAL 28 3.523 7.278 -4.766 192 HB VAL 28 HB VAL 28 2.154 6.580 -7.375 193 HG11 VAL 28 1HG1 VAL 28 0.561 7.188 -5.630 194 HG12 VAL 28 2HG1 VAL 28 0.661 8.467 -6.840 195 HG13 VAL 28 3HG1 VAL 28 1.471 8.660 -5.285 196 HG21 VAL 28 3HG2 VAL 28 2.791 8.838 -8.096 197 HG22 VAL 28 1HG2 VAL 28 4.210 7.852 -7.745 198 HG23 VAL 28 2HG2 VAL 28 3.676 9.073 -6.589 199 HA PRO 29 HA PRO 29 1.945 3.249 -3.220 200 HB2 PRO 29 2HB PRO 29 1.412 4.217 -0.696 201 HB3 PRO 29 1HB PRO 29 2.979 3.585 -1.211 202 HG2 PRO 29 2HG PRO 29 2.046 6.432 -1.043 203 HG3 PRO 29 1HG PRO 29 3.602 5.735 -0.550 204 HD2 PRO 29 2HD PRO 29 3.347 7.075 -2.857 205 HD3 PRO 29 1HD PRO 29 4.396 5.645 -2.736 206 H MET 30 H MET 30 0.405 6.425 -3.110 207 HA MET 30 HA MET 30 -2.164 5.380 -2.317 208 HB2 MET 30 2HB MET 30 -1.287 8.097 -3.296 209 HB3 MET 30 1HB MET 30 -2.949 7.728 -2.857 210 HG2 MET 30 2HG MET 30 -0.782 7.176 -0.880 211 HG3 MET 30 1HG MET 30 -1.297 8.838 -1.146 212 HE1 MET 30 3HE MET 30 -3.497 5.453 -1.113 213 HE2 MET 30 1HE MET 30 -3.968 5.476 0.588 214 HE3 MET 30 2HE MET 30 -2.271 5.288 0.146 215 H ALA 31 H ALA 31 -0.531 5.513 -5.278 216 HA ALA 31 HA ALA 31 -3.059 5.323 -6.791 217 HB1 ALA 31 3HB ALA 31 -1.781 5.848 -8.789 218 HB2 ALA 31 1HB ALA 31 -0.283 5.852 -7.857 219 HB3 ALA 31 2HB ALA 31 -1.515 7.078 -7.554 220 H GLU 32 H GLU 32 0.008 3.705 -6.156 221 HA GLU 32 HA GLU 32 -0.595 1.495 -7.935 222 HB2 GLU 32 2HB GLU 32 1.727 1.967 -6.045 223 HB3 GLU 32 1HB GLU 32 1.607 0.621 -7.176 224 HG2 GLU 32 2HG GLU 32 1.622 2.138 -9.056 225 HG3 GLU 32 1HG GLU 32 1.586 3.528 -7.977 226 H VAL 33 H VAL 33 -1.605 2.266 -4.884 227 HA VAL 33 HA VAL 33 -2.200 -0.571 -4.290 228 HB VAL 33 HB VAL 33 -1.743 1.642 -2.264 229 HG11 VAL 33 1HG1 VAL 33 -3.462 0.107 -1.481 230 HG12 VAL 33 2HG1 VAL 33 -1.971 -0.138 -0.569 231 HG13 VAL 33 3HG1 VAL 33 -2.425 -1.274 -1.842 232 HG21 VAL 33 3HG2 VAL 33 -0.104 -0.819 -2.897 233 HG22 VAL 33 1HG2 VAL 33 0.214 0.320 -1.588 234 HG23 VAL 33 2HG2 VAL 33 0.338 0.850 -3.266 235 H LEU 34 H LEU 34 -4.313 -0.976 -3.331 236 HA LEU 34 HA LEU 34 -6.293 1.169 -3.643 237 HB2 LEU 34 2HB LEU 34 -6.045 0.159 -5.856 238 HB3 LEU 34 1HB LEU 34 -6.333 -1.433 -5.189 239 HG LEU 34 HG LEU 34 -8.489 0.623 -4.883 240 HD11 LEU 34 1HD1 LEU 34 -7.796 0.863 -7.216 241 HD12 LEU 34 2HD1 LEU 34 -9.375 0.087 -7.096 242 HD13 LEU 34 3HD1 LEU 34 -7.942 -0.881 -7.446 243 HD21 LEU 34 3HD2 LEU 34 -8.498 -2.353 -5.439 244 HD22 LEU 34 1HD2 LEU 34 -9.923 -1.349 -5.166 245 HD23 LEU 34 2HD2 LEU 34 -8.757 -1.592 -3.869 246 H ALA 35 H ALA 35 -8.297 0.787 -2.561 247 HA ALA 35 HA ALA 35 -8.632 -1.719 -1.073 248 HB1 ALA 35 3HB ALA 35 -8.892 -0.621 1.075 249 HB2 ALA 35 1HB ALA 35 -8.580 0.952 0.336 250 HB3 ALA 35 2HB ALA 35 -7.303 -0.261 0.402 251 H ILE 36 H ILE 36 -10.710 -2.366 -1.140 252 HA ILE 36 HA ILE 36 -12.855 -0.341 -1.436 253 HB ILE 36 HB ILE 36 -12.662 -2.973 -2.931 254 HG12 ILE 36 2HG1 ILE 36 -11.241 -1.176 -3.874 255 HG13 ILE 36 1HG1 ILE 36 -12.554 -1.617 -4.961 256 HG21 ILE 36 1HG2 ILE 36 -14.962 -2.548 -2.284 257 HG22 ILE 36 2HG2 ILE 36 -14.770 -2.303 -4.020 258 HG23 ILE 36 3HG2 ILE 36 -14.871 -0.912 -2.940 259 HD11 ILE 36 3HD1 ILE 36 -12.445 0.807 -3.181 260 HD12 ILE 36 1HD1 ILE 36 -13.798 0.364 -4.221 261 HD13 ILE 36 2HD1 ILE 36 -12.238 0.772 -4.932 262 H ASP 37 H ASP 37 -14.715 -0.695 -0.251 263 HA ASP 37 HA ASP 37 -15.057 -3.318 1.072 264 HB2 ASP 37 2HB ASP 37 -14.399 -1.461 2.662 265 HB3 ASP 37 1HB ASP 37 -15.912 -0.663 2.255 266 H LYS 38 H LYS 38 -17.181 -4.118 1.180 267 HA LYS 38 HA LYS 38 -18.783 -3.465 -1.055 268 HB2 LYS 38 2HB LYS 38 -18.700 -5.730 -0.163 269 HB3 LYS 38 1HB LYS 38 -19.427 -5.191 1.345 270 HG2 LYS 38 2HG LYS 38 -21.511 -4.703 0.241 271 HG3 LYS 38 1HG LYS 38 -20.797 -5.026 -1.340 272 HD2 LYS 38 2HD LYS 38 -22.146 -6.913 -0.634 273 HD3 LYS 38 1HD LYS 38 -20.446 -7.372 -0.686 274 HE2 LYS 38 2HE LYS 38 -21.485 -8.292 1.296 275 HE3 LYS 38 1HE LYS 38 -20.307 -7.066 1.757 276 HZ1 LYS 38 3HZ LYS 38 -22.068 -5.510 2.151 277 HZ2 LYS 38 1HZ LYS 38 -22.414 -6.928 3.002 278 HZ3 LYS 38 2HZ LYS 38 -23.231 -6.585 1.563 279 H GLU 39 H GLU 39 -19.010 -2.484 2.329 280 HA GLU 39 HA GLU 39 -21.742 -1.540 2.041 281 HB2 GLU 39 2HB GLU 39 -21.695 -1.027 4.340 282 HB3 GLU 39 1HB GLU 39 -20.723 -2.483 4.186 283 HG2 GLU 39 2HG GLU 39 -18.687 -1.042 4.194 284 HG3 GLU 39 1HG GLU 39 -19.724 0.339 4.536 285 H ASP 40 H ASP 40 -18.528 -0.052 2.254 286 HA ASP 40 HA ASP 40 -19.726 2.620 2.242 287 HB2 ASP 40 2HB ASP 40 -17.847 1.833 3.830 288 HB3 ASP 40 1HB ASP 40 -16.779 2.010 2.440 289 H GLY 41 H GLY 41 -17.492 0.646 0.306 290 HA2 GLY 41 2HA GLY 41 -17.642 0.931 -2.145 291 HA3 GLY 41 1HA GLY 41 -17.695 2.665 -1.859 292 H ASP 42 H ASP 42 -15.809 3.705 -2.177 293 HA ASP 42 HA ASP 42 -13.347 2.152 -2.329 294 HB2 ASP 42 2HB ASP 42 -13.898 3.845 -4.074 295 HB3 ASP 42 1HB ASP 42 -13.762 5.105 -2.850 296 H LEU 43 H LEU 43 -12.059 1.893 -0.633 297 HA LEU 43 HA LEU 43 -12.020 3.951 1.486 298 HB2 LEU 43 2HB LEU 43 -11.376 1.003 1.647 299 HB3 LEU 43 1HB LEU 43 -11.121 2.140 2.958 300 HG LEU 43 HG LEU 43 -13.770 1.286 1.776 301 HD11 LEU 43 1HD1 LEU 43 -14.199 0.449 4.033 302 HD12 LEU 43 2HD1 LEU 43 -12.592 0.973 4.541 303 HD13 LEU 43 3HD1 LEU 43 -12.763 -0.303 3.334 304 HD21 LEU 43 3HD2 LEU 43 -13.843 3.681 2.269 305 HD22 LEU 43 1HD2 LEU 43 -13.237 3.373 3.897 306 HD23 LEU 43 2HD2 LEU 43 -14.824 2.771 3.416 307 H THR 44 H THR 44 -10.379 3.606 -1.113 308 HA THR 44 HA THR 44 -7.708 3.060 -0.476 309 HB THR 44 HB THR 44 -8.682 5.090 -2.512 310 HG1 THR 44 HG1 THR 44 -9.535 3.327 -3.359 311 HG21 THR 44 3HG2 THR 44 -6.107 3.502 -2.375 312 HG22 THR 44 1HG2 THR 44 -6.266 5.234 -2.068 313 HG23 THR 44 2HG2 THR 44 -6.582 4.589 -3.681 314 H SER 45 H SER 45 -9.625 5.961 0.056 315 HA SER 45 HA SER 45 -7.500 7.695 0.815 316 HB2 SER 45 2HB SER 45 -9.654 8.636 0.249 317 HB3 SER 45 1HB SER 45 -10.440 7.729 1.541 318 HG SER 45 HG SER 45 -8.757 9.977 1.695 319 H LYS 46 H LYS 46 -9.115 5.126 2.483 320 HA LYS 46 HA LYS 46 -8.503 6.002 5.158 321 HB2 LYS 46 2HB LYS 46 -9.331 3.276 4.131 322 HB3 LYS 46 1HB LYS 46 -9.274 3.748 5.821 323 HG2 LYS 46 2HG LYS 46 -11.033 5.099 3.785 324 HG3 LYS 46 1HG LYS 46 -11.549 3.723 4.762 325 HD2 LYS 46 2HD LYS 46 -11.019 5.067 6.806 326 HD3 LYS 46 1HD LYS 46 -10.699 6.450 5.756 327 HE2 LYS 46 2HE LYS 46 -12.997 6.344 4.912 328 HE3 LYS 46 1HE LYS 46 -13.316 4.947 5.939 329 HZ1 LYS 46 3HZ LYS 46 -12.629 7.677 6.882 330 HZ2 LYS 46 1HZ LYS 46 -12.912 6.338 7.877 331 HZ3 LYS 46 2HZ LYS 46 -14.160 6.969 6.928 332 H ILE 47 H ILE 47 -6.736 4.383 2.700 333 HA ILE 47 HA ILE 47 -5.219 2.542 4.181 334 HB ILE 47 HB ILE 47 -4.432 3.980 1.638 335 HG12 ILE 47 2HG1 ILE 47 -5.757 1.280 2.053 336 HG13 ILE 47 1HG1 ILE 47 -6.545 2.726 1.425 337 HG21 ILE 47 1HG2 ILE 47 -2.877 2.117 1.281 338 HG22 ILE 47 2HG2 ILE 47 -3.319 1.443 2.849 339 HG23 ILE 47 3HG2 ILE 47 -2.492 2.999 2.760 340 HD11 ILE 47 3HD1 ILE 47 -4.271 1.256 0.105 341 HD12 ILE 47 1HD1 ILE 47 -5.098 2.678 -0.531 342 HD13 ILE 47 2HD1 ILE 47 -5.972 1.157 -0.348 343 H LYS 48 H LYS 48 -4.001 3.036 5.883 344 HA LYS 48 HA LYS 48 -2.357 5.431 5.965 345 HB2 LYS 48 2HB LYS 48 -3.497 4.580 8.008 346 HB3 LYS 48 1HB LYS 48 -2.545 3.108 7.916 347 HG2 LYS 48 2HG LYS 48 -1.187 5.774 8.135 348 HG3 LYS 48 1HG LYS 48 -1.856 4.994 9.564 349 HD2 LYS 48 2HD LYS 48 -0.458 3.002 9.100 350 HD3 LYS 48 1HD LYS 48 0.237 3.835 7.709 351 HE2 LYS 48 2HE LYS 48 0.430 4.747 10.586 352 HE3 LYS 48 1HE LYS 48 1.707 3.943 9.675 353 HZ1 LYS 48 3HZ LYS 48 1.632 5.842 8.104 354 HZ2 LYS 48 1HZ LYS 48 2.120 6.272 9.663 355 HZ3 LYS 48 2HZ LYS 48 0.551 6.622 9.140 356 H VAL 49 H VAL 49 -0.387 5.497 5.070 357 HA VAL 49 HA VAL 49 0.969 2.990 4.371 358 HB VAL 49 HB VAL 49 1.669 5.832 3.577 359 HG11 VAL 49 1HG1 VAL 49 2.667 3.193 2.484 360 HG12 VAL 49 2HG1 VAL 49 3.587 4.310 3.489 361 HG13 VAL 49 3HG1 VAL 49 3.086 4.794 1.871 362 HG21 VAL 49 3HG2 VAL 49 0.678 5.291 1.399 363 HG22 VAL 49 1HG2 VAL 49 -0.518 5.183 2.691 364 HG23 VAL 49 2HG2 VAL 49 0.181 3.713 2.010 365 H ASP 50 H ASP 50 2.440 2.207 5.736 366 HA ASP 50 HA ASP 50 3.999 4.059 7.423 367 HB2 ASP 50 2HB ASP 50 2.593 2.229 8.509 368 HB3 ASP 50 1HB ASP 50 3.718 1.068 7.811 369 H GLY 51 H GLY 51 6.036 4.427 6.787 370 HA2 GLY 51 2HA GLY 51 8.244 3.502 6.263 371 HA3 GLY 51 1HA GLY 51 7.440 2.350 5.204 372 H GLU 52 H GLU 52 9.503 3.783 4.163 373 HA GLU 52 HA GLU 52 8.180 5.365 2.120 374 HB2 GLU 52 2HB GLU 52 8.594 7.007 3.935 375 HB3 GLU 52 1HB GLU 52 10.311 6.639 3.852 376 HG2 GLU 52 2HG GLU 52 10.389 7.469 1.555 377 HG3 GLU 52 1HG GLU 52 8.664 7.831 1.622 378 H VAL 53 H VAL 53 9.242 5.348 0.193 379 HA VAL 53 HA VAL 53 11.757 3.819 0.065 380 HB VAL 53 HB VAL 53 9.818 4.554 -2.149 381 HG11 VAL 53 1HG1 VAL 53 12.235 2.734 -2.199 382 HG12 VAL 53 2HG1 VAL 53 12.085 4.294 -3.011 383 HG13 VAL 53 3HG1 VAL 53 11.078 2.936 -3.515 384 HG21 VAL 53 3HG2 VAL 53 10.263 1.905 -0.761 385 HG22 VAL 53 1HG2 VAL 53 9.161 2.199 -2.106 386 HG23 VAL 53 2HG2 VAL 53 8.867 2.959 -0.542 387 H ASP 54 H ASP 54 13.642 4.813 -0.377 388 HA ASP 54 HA ASP 54 13.628 7.581 -1.348 389 HB2 ASP 54 2HB ASP 54 15.005 7.093 0.623 390 HB3 ASP 54 1HB ASP 54 15.893 5.870 -0.276 391 H THR 55 H THR 55 14.439 8.189 -3.326 392 HA THR 55 HA THR 55 15.207 5.996 -5.146 393 HB THR 55 HB THR 55 14.400 7.393 -7.006 394 HG1 THR 55 HG1 THR 55 13.123 9.279 -6.421 395 HG21 THR 55 3HG2 THR 55 12.861 5.794 -6.000 396 HG22 THR 55 1HG2 THR 55 11.987 7.242 -6.496 397 HG23 THR 55 2HG2 THR 55 12.374 6.986 -4.794 398 H THR 56 H THR 56 16.966 7.764 -3.388 399 HA THR 56 HA THR 56 18.809 8.601 -5.552 400 HB THR 56 HB THR 56 19.975 10.029 -3.972 401 HG1 THR 56 HG1 THR 56 18.011 9.384 -2.007 402 HG21 THR 56 3HG2 THR 56 18.045 11.001 -5.125 403 HG22 THR 56 1HG2 THR 56 18.233 11.692 -3.512 404 HG23 THR 56 2HG2 THR 56 16.989 10.478 -3.812 405 H LYS 57 H LYS 57 18.376 6.577 -2.761 406 HA LYS 57 HA LYS 57 21.003 5.320 -3.248 407 HB2 LYS 57 2HB LYS 57 19.545 5.956 -0.746 408 HB3 LYS 57 1HB LYS 57 20.263 4.355 -0.794 409 HG2 LYS 57 2HG LYS 57 21.812 5.838 0.246 410 HG3 LYS 57 1HG LYS 57 22.452 5.411 -1.339 411 HD2 LYS 57 2HD LYS 57 22.840 7.706 -1.200 412 HD3 LYS 57 1HD LYS 57 21.355 7.608 -2.144 413 HE2 LYS 57 2HE LYS 57 21.518 8.156 0.825 414 HE3 LYS 57 1HE LYS 57 21.270 9.372 -0.425 415 HZ1 LYS 57 3HZ LYS 57 19.431 7.161 0.291 416 HZ2 LYS 57 1HZ LYS 57 19.197 8.199 -1.024 417 HZ3 LYS 57 2HZ LYS 57 19.188 8.812 0.548 418 H ALA 58 H ALA 58 21.025 3.232 -3.875 419 HA ALA 58 HA ALA 58 18.507 1.946 -4.492 420 HB1 ALA 58 3HB ALA 58 20.324 1.861 -6.100 421 HB2 ALA 58 1HB ALA 58 19.885 0.234 -5.578 422 HB3 ALA 58 2HB ALA 58 21.338 1.005 -4.940 423 H GLY 59 H GLY 59 17.565 0.266 -3.488 424 HA2 GLY 59 2HA GLY 59 18.714 -1.772 -2.020 425 HA3 GLY 59 1HA GLY 59 18.391 -0.492 -0.858 426 H THR 60 H THR 60 17.134 -2.845 -0.437 427 HA THR 60 HA THR 60 14.452 -2.683 -1.584 428 HB THR 60 HB THR 60 15.687 -4.671 0.335 429 HG1 THR 60 HG1 THR 60 15.453 -6.061 -1.469 430 HG21 THR 60 3HG2 THR 60 13.595 -5.976 0.076 431 HG22 THR 60 1HG2 THR 60 12.868 -4.611 -0.775 432 HG23 THR 60 2HG2 THR 60 13.333 -4.450 0.919 433 H TYR 61 H TYR 61 12.874 -1.555 -0.695 434 HA TYR 61 HA TYR 61 12.944 -0.931 2.194 435 HB2 TYR 61 2HB TYR 61 11.521 0.606 -0.005 436 HB3 TYR 61 1HB TYR 61 11.639 1.070 1.688 437 HD1 TYR 61 HD2 TYR 61 13.502 0.751 -1.478 438 HD2 TYR 61 HD1 TYR 61 13.624 2.149 2.544 439 HE1 TYR 61 HE2 TYR 61 15.544 2.017 -1.988 440 HE2 TYR 61 HE1 TYR 61 15.668 3.424 2.040 441 HH TYR 61 HH TYR 61 16.819 3.883 -1.180 442 H VAL 62 H VAL 62 11.142 -1.424 3.435 443 HA VAL 62 HA VAL 62 9.050 -3.012 2.090 444 HB VAL 62 HB VAL 62 9.784 -2.963 5.029 445 HG11 VAL 62 1HG1 VAL 62 8.340 -4.933 5.217 446 HG12 VAL 62 2HG1 VAL 62 7.906 -4.788 3.514 447 HG13 VAL 62 3HG1 VAL 62 7.430 -3.530 4.656 448 HG21 VAL 62 3HG2 VAL 62 11.560 -3.950 3.664 449 HG22 VAL 62 1HG2 VAL 62 10.390 -5.038 2.913 450 HG23 VAL 62 2HG2 VAL 62 10.749 -5.180 4.635 451 H LEU 63 H LEU 63 7.176 -2.031 1.734 452 HA LEU 63 HA LEU 63 6.358 0.222 3.453 453 HB2 LEU 63 2HB LEU 63 5.319 -0.631 0.739 454 HB3 LEU 63 1HB LEU 63 4.786 0.780 1.633 455 HG LEU 63 HG LEU 63 7.548 0.342 0.478 456 HD11 LEU 63 1HD1 LEU 63 5.351 2.264 -0.295 457 HD12 LEU 63 2HD1 LEU 63 5.864 0.846 -1.210 458 HD13 LEU 63 3HD1 LEU 63 6.968 2.203 -0.998 459 HD21 LEU 63 3HD2 LEU 63 7.694 1.574 2.574 460 HD22 LEU 63 1HD2 LEU 63 6.445 2.694 2.025 461 HD23 LEU 63 2HD2 LEU 63 8.008 2.644 1.208 462 H THR 64 H THR 64 4.685 0.031 4.819 463 HA THR 64 HA THR 64 2.974 -2.373 4.654 464 HB THR 64 HB THR 64 3.492 -0.555 7.030 465 HG1 THR 64 HG1 THR 64 5.178 -1.820 7.236 466 HG21 THR 64 3HG2 THR 64 1.884 -3.115 6.861 467 HG22 THR 64 1HG2 THR 64 1.232 -1.495 7.111 468 HG23 THR 64 2HG2 THR 64 2.258 -2.230 8.340 469 H TYR 65 H TYR 65 0.806 -2.190 4.393 470 HA TYR 65 HA TYR 65 -0.394 0.510 4.380 471 HB2 TYR 65 2HB TYR 65 -1.136 -1.787 2.546 472 HB3 TYR 65 1HB TYR 65 -1.777 -0.148 2.494 473 HD1 TYR 65 HD2 TYR 65 -0.262 1.740 1.794 474 HD2 TYR 65 HD1 TYR 65 0.893 -2.352 1.446 475 HE1 TYR 65 HE2 TYR 65 1.502 2.374 0.208 476 HE2 TYR 65 HE1 TYR 65 2.662 -1.720 -0.139 477 HH TYR 65 HH TYR 65 3.092 0.157 -1.737 478 H THR 66 H THR 66 -1.965 0.718 5.854 479 HA THR 66 HA THR 66 -3.529 -1.683 6.612 480 HB THR 66 HB THR 66 -2.747 0.598 8.449 481 HG1 THR 66 HG1 THR 66 -1.248 -0.775 9.278 482 HG21 THR 66 3HG2 THR 66 -4.915 -0.383 9.045 483 HG22 THR 66 1HG2 THR 66 -3.686 -0.817 10.233 484 HG23 THR 66 2HG2 THR 66 -4.202 -1.996 9.027 485 H VAL 67 H VAL 67 -5.714 -1.512 6.573 486 HA VAL 67 HA VAL 67 -6.912 1.168 6.255 487 HB VAL 67 HB VAL 67 -6.766 0.204 4.029 488 HG11 VAL 67 1HG1 VAL 67 -7.904 -1.874 3.420 489 HG12 VAL 67 2HG1 VAL 67 -8.335 -2.141 5.110 490 HG13 VAL 67 3HG1 VAL 67 -6.642 -2.159 4.618 491 HG21 VAL 67 3HG2 VAL 67 -8.732 1.556 4.526 492 HG22 VAL 67 1HG2 VAL 67 -9.601 0.124 5.079 493 HG23 VAL 67 2HG2 VAL 67 -9.135 0.274 3.385 494 H THR 68 H THR 68 -8.743 1.543 7.375 495 HA THR 68 HA THR 68 -9.878 -0.684 8.947 496 HB THR 68 HB THR 68 -10.030 2.283 9.569 497 HG1 THR 68 HG1 THR 68 -8.532 0.432 11.090 498 HG21 THR 68 3HG2 THR 68 -10.749 -0.142 11.234 499 HG22 THR 68 1HG2 THR 68 -11.893 0.988 10.507 500 HG23 THR 68 2HG2 THR 68 -10.802 1.534 11.779 501 H ASP 69 H ASP 69 -12.059 -1.003 9.043 502 HA ASP 69 HA ASP 69 -13.668 0.275 6.944 503 HB2 ASP 69 2HB ASP 69 -13.533 -2.075 6.661 504 HB3 ASP 69 1HB ASP 69 -13.837 -2.381 8.364 505 H SER 70 H SER 70 -15.980 0.631 7.381 506 HA SER 70 HA SER 70 -16.375 2.315 9.601 507 HB2 SER 70 2HB SER 70 -18.442 1.056 7.777 508 HB3 SER 70 1HB SER 70 -18.734 2.414 8.866 509 HG SER 70 HG SER 70 -18.246 2.950 6.615 510 H LYS 71 H LYS 71 -17.226 -1.098 9.137 511 HA LYS 71 HA LYS 71 -18.710 -1.221 11.627 512 HB2 LYS 71 2HB LYS 71 -17.712 -3.490 9.884 513 HB3 LYS 71 1HB LYS 71 -18.885 -3.625 11.187 514 HG2 LYS 71 2HG LYS 71 -19.268 -2.023 8.665 515 HG3 LYS 71 1HG LYS 71 -19.912 -3.639 8.948 516 HD2 LYS 71 2HD LYS 71 -20.559 -1.259 10.696 517 HD3 LYS 71 1HD LYS 71 -21.525 -1.725 9.297 518 HE2 LYS 71 2HE LYS 71 -21.796 -3.992 10.361 519 HE3 LYS 71 1HE LYS 71 -21.034 -3.325 11.807 520 HZ1 LYS 71 3HZ LYS 71 -23.399 -3.211 12.037 521 HZ2 LYS 71 1HZ LYS 71 -23.572 -2.417 10.555 522 HZ3 LYS 71 2HZ LYS 71 -22.817 -1.637 11.853 523 H GLY 72 H GLY 72 -15.536 -0.799 11.140 524 HA2 GLY 72 2HA GLY 72 -13.929 -0.776 12.850 525 HA3 GLY 72 1HA GLY 72 -14.880 -1.946 13.745 526 H HIS 73 H HIS 73 -14.343 -2.791 10.462 527 HA HIS 73 HA HIS 73 -12.536 -4.926 11.279 528 HB2 HIS 73 2HB HIS 73 -13.823 -4.352 8.595 529 HB3 HIS 73 1HB HIS 73 -12.900 -5.795 8.997 530 HD1 HIS 73 HD1 HIS 73 -16.232 -4.900 8.553 531 HD2 HIS 73 HD2 HIS 73 -14.236 -6.950 11.574 532 HE1 HIS 73 HE1 HIS 73 -17.991 -6.230 9.744 533 HE2 HIS 73 HE2 HIS 73 -16.801 -7.282 11.687 534 H GLU 74 H GLU 74 -10.366 -4.796 11.069 535 HA GLU 74 HA GLU 74 -9.265 -2.801 9.179 536 HB2 GLU 74 2HB GLU 74 -9.103 -1.940 11.461 537 HB3 GLU 74 1HB GLU 74 -8.281 -3.408 11.978 538 HG2 GLU 74 2HG GLU 74 -6.415 -2.870 10.459 539 HG3 GLU 74 1HG GLU 74 -7.236 -1.375 10.008 540 H VAL 75 H VAL 75 -7.962 -3.662 7.705 541 HA VAL 75 HA VAL 75 -6.404 -6.084 8.388 542 HB VAL 75 HB VAL 75 -6.526 -6.769 6.019 543 HG11 VAL 75 1HG1 VAL 75 -8.878 -7.498 6.016 544 HG12 VAL 75 2HG1 VAL 75 -9.227 -6.361 7.318 545 HG13 VAL 75 3HG1 VAL 75 -8.125 -7.710 7.596 546 HG21 VAL 75 3HG2 VAL 75 -6.861 -4.577 4.990 547 HG22 VAL 75 1HG2 VAL 75 -8.466 -4.463 5.719 548 HG23 VAL 75 2HG2 VAL 75 -8.134 -5.695 4.501 549 H THR 76 H THR 76 -4.355 -6.319 7.176 550 HA THR 76 HA THR 76 -3.242 -3.823 6.111 551 HB THR 76 HB THR 76 -2.714 -3.747 8.514 552 HG1 THR 76 HG1 THR 76 -1.123 -2.785 7.384 553 HG21 THR 76 3HG2 THR 76 -1.184 -5.396 9.508 554 HG22 THR 76 1HG2 THR 76 -1.242 -6.348 8.025 555 HG23 THR 76 2HG2 THR 76 -2.698 -6.147 9.002 556 H ALA 77 H ALA 77 -1.273 -4.091 4.914 557 HA ALA 77 HA ALA 77 -0.335 -6.799 4.350 558 HB1 ALA 77 3HB ALA 77 -1.397 -5.034 2.137 559 HB2 ALA 77 1HB ALA 77 -2.201 -6.469 2.775 560 HB3 ALA 77 2HB ALA 77 -0.652 -6.622 1.947 561 H LYS 78 H LYS 78 1.655 -6.782 2.954 562 HA LYS 78 HA LYS 78 3.142 -4.237 3.213 563 HB2 LYS 78 2HB LYS 78 4.123 -7.032 3.834 564 HB3 LYS 78 1HB LYS 78 5.175 -5.628 3.716 565 HG2 LYS 78 2HG LYS 78 4.047 -4.578 5.588 566 HG3 LYS 78 1HG LYS 78 2.900 -5.916 5.676 567 HD2 LYS 78 2HD LYS 78 4.734 -7.456 6.207 568 HD3 LYS 78 1HD LYS 78 5.887 -6.122 6.102 569 HE2 LYS 78 2HE LYS 78 3.585 -6.268 8.058 570 HE3 LYS 78 1HE LYS 78 5.254 -6.694 8.433 571 HZ1 LYS 78 3HZ LYS 78 5.938 -4.461 8.057 572 HZ2 LYS 78 1HZ LYS 78 4.611 -4.410 9.103 573 HZ3 LYS 78 2HZ LYS 78 4.418 -4.013 7.469 574 H GLN 79 H GLN 79 4.872 -3.895 1.736 575 HA GLN 79 HA GLN 79 4.859 -5.575 -0.695 576 HB2 GLN 79 2HB GLN 79 3.529 -3.599 -1.197 577 HB3 GLN 79 1HB GLN 79 4.789 -2.547 -0.559 578 HG2 GLN 79 2HG GLN 79 6.300 -3.398 -2.375 579 HG3 GLN 79 1HG GLN 79 4.907 -4.236 -3.054 580 HE21 GLN 79 1HE2 GLN 79 4.708 -1.078 -1.545 581 HE22 GLN 79 2HE2 GLN 79 4.385 -0.212 -3.000 582 H THR 80 H THR 80 6.833 -6.005 -1.575 583 HA THR 80 HA THR 80 9.213 -4.916 -0.228 584 HB THR 80 HB THR 80 8.958 -7.211 -2.196 585 HG1 THR 80 HG1 THR 80 8.181 -8.029 -0.364 586 HG21 THR 80 3HG2 THR 80 11.267 -7.768 -1.583 587 HG22 THR 80 1HG2 THR 80 11.349 -6.337 -0.558 588 HG23 THR 80 2HG2 THR 80 11.182 -6.161 -2.306 589 H VAL 81 H VAL 81 9.803 -2.984 -1.130 590 HA VAL 81 HA VAL 81 9.763 -2.712 -4.066 591 HB VAL 81 HB VAL 81 10.174 -0.547 -1.984 592 HG11 VAL 81 1HG1 VAL 81 11.162 -0.019 -4.175 593 HG12 VAL 81 2HG1 VAL 81 9.771 1.008 -3.835 594 HG13 VAL 81 3HG1 VAL 81 9.613 -0.344 -4.953 595 HG21 VAL 81 3HG2 VAL 81 7.861 0.118 -2.476 596 HG22 VAL 81 1HG2 VAL 81 7.933 -1.513 -1.814 597 HG23 VAL 81 2HG2 VAL 81 7.685 -1.274 -3.543 598 H THR 82 H THR 82 11.634 -3.462 -4.926 599 HA THR 82 HA THR 82 14.194 -2.884 -3.611 600 HB THR 82 HB THR 82 13.630 -4.602 -6.046 601 HG1 THR 82 HG1 THR 82 14.235 -5.388 -3.365 602 HG21 THR 82 3HG2 THR 82 15.928 -3.741 -6.022 603 HG22 THR 82 1HG2 THR 82 15.897 -5.476 -5.698 604 HG23 THR 82 2HG2 THR 82 16.140 -4.335 -4.374 605 H VAL 83 H VAL 83 15.265 -1.103 -4.162 606 HA VAL 83 HA VAL 83 14.831 0.153 -6.781 607 HB VAL 83 HB VAL 83 16.358 1.232 -4.396 608 HG11 VAL 83 1HG1 VAL 83 17.023 2.261 -6.510 609 HG12 VAL 83 2HG1 VAL 83 16.123 3.407 -5.518 610 HG13 VAL 83 3HG1 VAL 83 15.336 2.617 -6.884 611 HG21 VAL 83 3HG2 VAL 83 14.022 0.895 -3.810 612 HG22 VAL 83 1HG2 VAL 83 13.514 1.770 -5.254 613 HG23 VAL 83 2HG2 VAL 83 14.375 2.617 -3.968 614 H LYS 84 H LYS 84 16.414 0.380 -8.307 615 HA LYS 84 HA LYS 84 19.123 -0.627 -7.676 616 HB2 LYS 84 2HB LYS 84 17.602 -0.886 -10.287 617 HB3 LYS 84 1HB LYS 84 19.272 -1.385 -10.035 618 HG2 LYS 84 2HG LYS 84 18.547 -3.036 -8.393 619 HG3 LYS 84 1HG LYS 84 16.869 -2.526 -8.605 620 HD2 LYS 84 2HD LYS 84 16.940 -3.231 -10.948 621 HD3 LYS 84 1HD LYS 84 18.633 -3.697 -10.768 622 HE2 LYS 84 2HE LYS 84 18.009 -5.395 -9.134 623 HE3 LYS 84 1HE LYS 84 16.316 -4.912 -9.253 624 HZ1 LYS 84 3HZ LYS 84 16.792 -6.884 -10.576 625 HZ2 LYS 84 1HZ LYS 84 17.946 -6.034 -11.473 626 HZ3 LYS 84 2HZ LYS 84 16.315 -5.600 -11.564 627 H VAL 85 H VAL 85 20.886 0.369 -8.943 628 HA VAL 85 HA VAL 85 20.455 3.232 -9.083 629 HB VAL 85 HB VAL 85 23.017 1.699 -9.591 630 HG11 VAL 85 1HG1 VAL 85 23.088 3.956 -10.490 631 HG12 VAL 85 2HG1 VAL 85 24.117 3.842 -9.063 632 HG13 VAL 85 3HG1 VAL 85 22.536 4.616 -8.950 633 HG21 VAL 85 3HG2 VAL 85 22.204 1.207 -7.359 634 HG22 VAL 85 1HG2 VAL 85 21.984 2.927 -7.030 635 HG23 VAL 85 2HG2 VAL 85 23.605 2.273 -7.266 636 H ARG 86 H ARG 86 20.673 4.561 -10.850 637 HA ARG 86 HA ARG 86 20.836 3.285 -13.499 638 HB2 ARG 86 2HB ARG 86 19.907 5.374 -14.389 639 HB3 ARG 86 1HB ARG 86 18.865 4.713 -13.136 640 HG2 ARG 86 2HG ARG 86 19.582 6.347 -11.555 641 HG3 ARG 86 1HG ARG 86 20.882 6.893 -12.617 642 HD2 ARG 86 2HD ARG 86 19.237 7.727 -14.220 643 HD3 ARG 86 1HD ARG 86 17.924 7.150 -13.193 644 HE ARG 86 HE ARG 86 19.387 8.828 -11.595 645 HH11 ARG 86 1HH1 ARG 86 17.832 9.158 -14.651 646 HH12 ARG 86 2HH1 ARG 86 17.427 10.818 -14.383 647 HH21 ARG 86 1HH2 ARG 86 18.854 10.971 -11.276 648 HH22 ARG 86 2HH2 ARG 86 18.011 11.827 -12.516 649 H GLU 87 H GLU 87 22.460 3.823 -14.939 650 HA GLU 87 HA GLU 87 24.852 4.924 -13.868 651 HB2 GLU 87 2HB GLU 87 24.092 4.182 -16.695 652 HB3 GLU 87 1HB GLU 87 25.697 4.734 -16.235 653 HG2 GLU 87 2HG GLU 87 24.319 2.283 -15.141 654 HG3 GLU 87 1HG GLU 87 25.545 2.290 -16.408 655 H GLU 88 H GLU 88 24.386 7.014 -13.173 656 HA GLU 88 HA GLU 88 23.550 9.028 -15.099 657 HB2 GLU 88 2HB GLU 88 24.309 9.223 -12.176 658 HB3 GLU 88 1HB GLU 88 23.858 10.611 -13.158 659 HG2 GLU 88 2HG GLU 88 21.667 9.553 -13.588 660 HG3 GLU 88 1HG GLU 88 22.123 8.232 -12.514 661 H VAL 89 H VAL 89 25.141 9.259 -16.608 662 HA VAL 89 HA VAL 89 27.909 9.453 -16.000 663 HB VAL 89 HB VAL 89 27.206 8.751 -18.208 664 HG11 VAL 89 1HG1 VAL 89 26.185 10.312 -19.809 665 HG12 VAL 89 2HG1 VAL 89 26.057 11.524 -18.533 666 HG13 VAL 89 3HG1 VAL 89 25.147 10.019 -18.415 667 HG21 VAL 89 3HG2 VAL 89 28.647 10.179 -19.594 668 HG22 VAL 89 1HG2 VAL 89 29.390 9.835 -18.032 669 HG23 VAL 89 2HG2 VAL 89 28.647 11.408 -18.328 670 H LYS 90 H LYS 90 29.220 11.203 -15.687 671 HA LYS 90 HA LYS 90 28.104 13.539 -14.580 672 HB2 LYS 90 2HB LYS 90 30.466 14.368 -14.545 673 HB3 LYS 90 1HB LYS 90 30.235 12.785 -13.814 674 HG2 LYS 90 2HG LYS 90 31.015 11.779 -15.984 675 HG3 LYS 90 1HG LYS 90 31.444 13.410 -16.503 676 HD2 LYS 90 2HD LYS 90 32.538 11.952 -14.093 677 HD3 LYS 90 1HD LYS 90 33.393 12.246 -15.608 678 HE2 LYS 90 2HE LYS 90 33.325 14.644 -15.213 679 HE3 LYS 90 1HE LYS 90 32.375 14.402 -13.747 680 HZ1 LYS 90 3HZ LYS 90 34.673 14.746 -13.185 681 HZ2 LYS 90 1HZ LYS 90 35.160 13.487 -14.204 682 HZ3 LYS 90 2HZ LYS 90 34.251 13.151 -12.818 683 H ASN 91 H ASN 91 26.687 14.389 -16.161 684 HA ASN 91 HA ASN 91 27.810 15.586 -18.573 685 HB2 ASN 91 2HB ASN 91 24.998 15.677 -17.441 686 HB3 ASN 91 1HB ASN 91 25.485 16.314 -19.006 687 HD21 ASN 91 1HD2 ASN 91 27.296 14.098 -19.561 688 HD22 ASN 91 2HD2 ASN 91 26.283 12.760 -19.946 689 H ASP 92 H ASP 92 28.498 17.661 -18.705 690 HA ASP 92 HA ASP 92 28.345 19.433 -16.455 691 HB2 ASP 92 2HB ASP 92 30.242 19.397 -18.103 692 HB3 ASP 92 1HB ASP 92 29.157 20.086 -19.305 693 H LYS 93 H LYS 93 26.309 20.087 -15.934 694 HA LYS 93 HA LYS 93 24.866 21.750 -17.844 695 HB2 LYS 93 2HB LYS 93 22.719 20.493 -17.414 696 HB3 LYS 93 1HB LYS 93 23.903 19.640 -18.393 697 HG2 LYS 93 2HG LYS 93 24.614 18.435 -16.289 698 HG3 LYS 93 1HG LYS 93 23.205 19.149 -15.504 699 HD2 LYS 93 2HD LYS 93 23.152 17.360 -17.943 700 HD3 LYS 93 1HD LYS 93 22.764 16.862 -16.298 701 HE2 LYS 93 2HE LYS 93 20.891 18.467 -16.273 702 HE3 LYS 93 1HE LYS 93 21.275 18.921 -17.934 703 HZ1 LYS 93 3HZ LYS 93 20.837 16.640 -18.613 704 HZ2 LYS 93 1HZ LYS 93 19.479 17.318 -17.867 705 HZ3 LYS 93 2HZ LYS 93 20.447 16.218 -17.023 706 HA PRO 94 HA PRO 94 24.280 23.298 -13.533 707 HB2 PRO 94 2HB PRO 94 26.095 25.263 -13.428 708 HB3 PRO 94 1HB PRO 94 26.558 23.577 -13.168 709 HG2 PRO 94 2HG PRO 94 27.008 25.315 -15.539 710 HG3 PRO 94 1HG PRO 94 27.995 23.982 -14.917 711 HD2 PRO 94 2HD PRO 94 26.105 23.886 -17.052 712 HD3 PRO 94 1HD PRO 94 26.975 22.521 -16.327 713 H ILE 95 H ILE 95 22.230 23.995 -14.367 714 HA ILE 95 HA ILE 95 22.085 26.414 -15.965 715 HB ILE 95 HB ILE 95 19.844 24.779 -14.747 716 HG12 ILE 95 2HG1 ILE 95 21.154 23.472 -16.363 717 HG13 ILE 95 1HG1 ILE 95 19.561 23.843 -17.013 718 HG21 ILE 95 1HG2 ILE 95 19.769 26.952 -16.847 719 HG22 ILE 95 2HG2 ILE 95 19.123 27.050 -15.208 720 HG23 ILE 95 3HG2 ILE 95 18.400 25.943 -16.375 721 HD11 ILE 95 3HD1 ILE 95 20.529 25.627 -18.364 722 HD12 ILE 95 1HD1 ILE 95 21.289 24.072 -18.702 723 HD13 ILE 95 2HD1 ILE 95 22.125 25.263 -17.706 724 H LEU 96 H LEU 96 22.881 28.075 -14.653 725 HA LEU 96 HA LEU 96 21.883 28.582 -12.018 726 HB2 LEU 96 2HB LEU 96 24.099 29.352 -12.781 727 HB3 LEU 96 1HB LEU 96 23.331 30.429 -13.931 728 HG LEU 96 HG LEU 96 22.322 31.696 -12.054 729 HD11 LEU 96 1HD1 LEU 96 23.088 31.304 -9.767 730 HD12 LEU 96 2HD1 LEU 96 23.987 29.884 -10.301 731 HD13 LEU 96 3HD1 LEU 96 22.225 29.904 -10.400 732 HD21 LEU 96 3HD2 LEU 96 24.381 32.777 -11.301 733 HD22 LEU 96 1HD2 LEU 96 24.437 32.431 -13.027 734 HD23 LEU 96 2HD2 LEU 96 25.326 31.412 -11.895 735 H GLU 97 H GLU 97 19.630 28.565 -12.238 736 HA GLU 97 HA GLU 97 18.371 30.619 -13.909 737 HB2 GLU 97 2HB GLU 97 16.257 29.419 -13.313 738 HB3 GLU 97 1HB GLU 97 17.442 28.422 -14.148 739 HG2 GLU 97 2HG GLU 97 18.147 27.535 -11.914 740 HG3 GLU 97 1HG GLU 97 16.786 28.402 -11.206 Start of MODEL 4 1 H1 MET 1 1H MET 1 -35.377 -12.986 18.468 2 H2 MET 1 2H MET 1 -35.337 -13.360 16.818 3 H3 MET 1 3H MET 1 -35.931 -14.490 17.926 4 HA MET 1 HA MET 1 -37.731 -13.441 16.721 5 HB2 MET 1 2HB MET 1 -38.117 -14.195 19.027 6 HB3 MET 1 1HB MET 1 -37.567 -12.643 19.642 7 HG2 MET 1 2HG MET 1 -39.980 -12.769 19.694 8 HG3 MET 1 1HG MET 1 -39.461 -11.539 18.542 9 HE1 MET 1 3HE MET 1 -41.078 -15.057 19.054 10 HE2 MET 1 1HE MET 1 -39.592 -15.485 18.205 11 HE3 MET 1 2HE MET 1 -41.151 -15.683 17.405 12 H GLY 2 H GLY 2 -37.456 -11.810 15.252 13 HA2 GLY 2 2HA GLY 2 -38.319 -9.326 15.469 14 HA3 GLY 2 1HA GLY 2 -36.735 -9.126 16.199 15 H ASN 3 H ASN 3 -35.169 -8.485 14.873 16 HA ASN 3 HA ASN 3 -35.494 -8.867 11.966 17 HB2 ASN 3 2HB ASN 3 -33.755 -6.934 13.532 18 HB3 ASN 3 1HB ASN 3 -33.785 -7.050 11.774 19 HD21 ASN 3 1HD2 ASN 3 -34.499 -4.847 13.626 20 HD22 ASN 3 2HD2 ASN 3 -36.108 -4.398 13.194 21 H GLY 4 H GLY 4 -33.110 -8.825 10.893 22 HA2 GLY 4 2HA GLY 4 -31.431 -10.809 12.326 23 HA3 GLY 4 1HA GLY 4 -31.759 -10.928 10.604 24 H GLU 5 H GLU 5 -29.449 -10.060 12.761 25 HA GLU 5 HA GLU 5 -28.416 -7.665 11.601 26 HB2 GLU 5 2HB GLU 5 -27.214 -9.735 13.445 27 HB3 GLU 5 1HB GLU 5 -26.312 -8.330 12.892 28 HG2 GLU 5 2HG GLU 5 -28.912 -8.213 14.420 29 HG3 GLU 5 1HG GLU 5 -27.309 -8.044 15.135 30 H THR 6 H THR 6 -27.074 -7.359 9.916 31 HA THR 6 HA THR 6 -26.349 -9.666 8.279 32 HB THR 6 HB THR 6 -25.957 -6.717 7.683 33 HG1 THR 6 HG1 THR 6 -27.887 -7.929 6.232 34 HG21 THR 6 3HG2 THR 6 -24.515 -8.177 6.334 35 HG22 THR 6 1HG2 THR 6 -25.784 -7.457 5.342 36 HG23 THR 6 2HG2 THR 6 -25.918 -9.137 5.862 37 H SER 7 H SER 7 -24.284 -10.321 7.787 38 HA SER 7 HA SER 7 -22.169 -9.448 9.590 39 HB2 SER 7 2HB SER 7 -22.158 -11.637 7.487 40 HB3 SER 7 1HB SER 7 -20.907 -11.366 8.699 41 HG SER 7 HG SER 7 -22.206 -12.113 10.246 42 H ASP 8 H ASP 8 -20.908 -7.751 9.033 43 HA ASP 8 HA ASP 8 -20.517 -6.938 6.303 44 HB2 ASP 8 2HB ASP 8 -20.532 -5.276 8.110 45 HB3 ASP 8 1HB ASP 8 -19.107 -6.021 8.829 46 H LEU 9 H LEU 9 -18.873 -7.394 4.940 47 HA LEU 9 HA LEU 9 -16.777 -9.247 5.786 48 HB2 LEU 9 2HB LEU 9 -17.381 -8.052 3.071 49 HB3 LEU 9 1HB LEU 9 -16.180 -9.291 3.389 50 HG LEU 9 HG LEU 9 -19.163 -9.628 3.788 51 HD11 LEU 9 1HD1 LEU 9 -19.055 -11.094 1.831 52 HD12 LEU 9 2HD1 LEU 9 -17.354 -10.679 1.611 53 HD13 LEU 9 3HD1 LEU 9 -18.596 -9.440 1.426 54 HD21 LEU 9 3HD2 LEU 9 -16.905 -11.629 3.966 55 HD22 LEU 9 1HD2 LEU 9 -18.626 -11.997 4.092 56 HD23 LEU 9 2HD2 LEU 9 -17.846 -11.002 5.321 57 H GLU 10 H GLU 10 -14.639 -8.696 6.048 58 HA GLU 10 HA GLU 10 -13.916 -5.973 6.339 59 HB2 GLU 10 2HB GLU 10 -11.493 -7.012 6.375 60 HB3 GLU 10 1HB GLU 10 -12.599 -7.240 7.714 61 HG2 GLU 10 2HG GLU 10 -12.439 -9.289 5.535 62 HG3 GLU 10 1HG GLU 10 -11.228 -9.245 6.814 63 HA PRO 11 HA PRO 11 -13.278 -4.457 2.392 64 HB2 PRO 11 2HB PRO 11 -10.998 -2.890 2.754 65 HB3 PRO 11 1HB PRO 11 -12.655 -2.407 3.129 66 HG2 PRO 11 2HG PRO 11 -10.534 -3.480 4.943 67 HG3 PRO 11 1HG PRO 11 -11.730 -2.206 5.245 68 HD2 PRO 11 2HD PRO 11 -12.048 -4.664 6.250 69 HD3 PRO 11 1HD PRO 11 -13.438 -3.735 5.651 70 H LYS 12 H LYS 12 -12.309 -4.809 0.482 71 HA LYS 12 HA LYS 12 -10.150 -6.743 0.349 72 HB2 LYS 12 2HB LYS 12 -12.063 -7.050 -1.096 73 HB3 LYS 12 1HB LYS 12 -11.889 -5.434 -1.757 74 HG2 LYS 12 2HG LYS 12 -9.573 -7.251 -2.103 75 HG3 LYS 12 1HG LYS 12 -11.038 -7.657 -3.000 76 HD2 LYS 12 2HD LYS 12 -11.066 -5.344 -3.912 77 HD3 LYS 12 1HD LYS 12 -9.531 -5.037 -3.097 78 HE2 LYS 12 2HE LYS 12 -10.001 -7.177 -5.173 79 HE3 LYS 12 1HE LYS 12 -9.255 -5.610 -5.482 80 HZ1 LYS 12 3HZ LYS 12 -8.195 -7.691 -3.642 81 HZ2 LYS 12 1HZ LYS 12 -7.484 -6.189 -3.955 82 HZ3 LYS 12 2HZ LYS 12 -7.599 -7.338 -5.187 83 H LEU 13 H LEU 13 -8.172 -5.926 0.695 84 HA LEU 13 HA LEU 13 -7.453 -3.279 -0.366 85 HB2 LEU 13 2HB LEU 13 -7.114 -3.696 2.033 86 HB3 LEU 13 1HB LEU 13 -6.064 -5.049 1.658 87 HG LEU 13 HG LEU 13 -4.454 -3.486 0.603 88 HD11 LEU 13 1HD1 LEU 13 -4.702 -1.078 0.927 89 HD12 LEU 13 2HD1 LEU 13 -6.301 -1.327 1.628 90 HD13 LEU 13 3HD1 LEU 13 -6.007 -1.729 -0.065 91 HD21 LEU 13 3HD2 LEU 13 -5.197 -2.804 3.454 92 HD22 LEU 13 1HD2 LEU 13 -3.648 -2.461 2.683 93 HD23 LEU 13 2HD2 LEU 13 -4.156 -4.130 2.935 94 H THR 14 H THR 14 -6.547 -3.316 -2.355 95 HA THR 14 HA THR 14 -4.977 -5.611 -3.243 96 HB THR 14 HB THR 14 -5.694 -3.074 -4.745 97 HG1 THR 14 HG1 THR 14 -6.913 -5.071 -5.842 98 HG21 THR 14 3HG2 THR 14 -3.657 -4.154 -5.620 99 HG22 THR 14 1HG2 THR 14 -5.003 -4.294 -6.750 100 HG23 THR 14 2HG2 THR 14 -4.535 -5.678 -5.762 101 H VAL 15 H VAL 15 -2.915 -5.693 -2.619 102 HA VAL 15 HA VAL 15 -1.212 -3.323 -3.055 103 HB VAL 15 HB VAL 15 -1.028 -5.207 -0.687 104 HG11 VAL 15 1HG1 VAL 15 0.747 -2.868 -1.416 105 HG12 VAL 15 2HG1 VAL 15 1.202 -4.571 -1.461 106 HG13 VAL 15 3HG1 VAL 15 0.832 -3.798 0.079 107 HG21 VAL 15 3HG2 VAL 15 -2.811 -3.577 -0.427 108 HG22 VAL 15 1HG2 VAL 15 -1.695 -2.266 -0.810 109 HG23 VAL 15 2HG2 VAL 15 -1.478 -3.207 0.667 110 HA PRO 16 HA PRO 16 1.098 -6.447 -5.337 111 HB2 PRO 16 2HB PRO 16 3.145 -4.862 -6.157 112 HB3 PRO 16 1HB PRO 16 1.540 -4.808 -6.895 113 HG2 PRO 16 2HG PRO 16 2.769 -2.970 -4.886 114 HG3 PRO 16 1HG PRO 16 1.736 -2.586 -6.274 115 HD2 PRO 16 2HD PRO 16 0.836 -2.709 -3.678 116 HD3 PRO 16 1HD PRO 16 -0.194 -2.982 -5.095 117 H VAL 17 H VAL 17 2.485 -7.936 -4.536 118 HA VAL 17 HA VAL 17 3.665 -7.612 -1.992 119 HB VAL 17 HB VAL 17 2.904 -9.784 -2.959 120 HG11 VAL 17 1HG1 VAL 17 3.853 -9.555 -5.200 121 HG12 VAL 17 2HG1 VAL 17 4.398 -11.046 -4.432 122 HG13 VAL 17 3HG1 VAL 17 5.483 -9.658 -4.532 123 HG21 VAL 17 3HG2 VAL 17 4.696 -11.151 -1.962 124 HG22 VAL 17 1HG2 VAL 17 4.284 -9.764 -0.953 125 HG23 VAL 17 2HG2 VAL 17 5.749 -9.736 -1.935 126 H GLY 18 H GLY 18 4.886 -6.803 -5.112 127 HA2 GLY 18 2HA GLY 18 7.396 -5.927 -3.941 128 HA3 GLY 18 1HA GLY 18 7.554 -7.210 -5.129 129 H ALA 19 H ALA 19 8.659 -4.556 -5.285 130 HA ALA 19 HA ALA 19 7.649 -3.839 -7.925 131 HB1 ALA 19 3HB ALA 19 7.755 -1.813 -5.682 132 HB2 ALA 19 1HB ALA 19 6.298 -2.429 -6.462 133 HB3 ALA 19 2HB ALA 19 7.441 -1.447 -7.379 134 H THR 20 H THR 20 9.202 -2.827 -9.234 135 HA THR 20 HA THR 20 11.908 -2.559 -8.043 136 HB THR 20 HB THR 20 11.237 -3.495 -10.851 137 HG1 THR 20 HG1 THR 20 11.145 -4.886 -8.694 138 HG21 THR 20 3HG2 THR 20 13.653 -3.963 -11.030 139 HG22 THR 20 1HG2 THR 20 13.907 -3.209 -9.456 140 HG23 THR 20 2HG2 THR 20 13.336 -2.241 -10.816 141 H ILE 21 H ILE 21 12.778 -0.601 -8.156 142 HA ILE 21 HA ILE 21 12.221 1.121 -10.484 143 HB ILE 21 HB ILE 21 12.194 3.130 -9.020 144 HG12 ILE 21 2HG1 ILE 21 11.983 1.115 -6.763 145 HG13 ILE 21 1HG1 ILE 21 13.354 2.176 -7.068 146 HG21 ILE 21 1HG2 ILE 21 10.020 1.114 -8.449 147 HG22 ILE 21 2HG2 ILE 21 10.099 2.205 -9.833 148 HG23 ILE 21 3HG2 ILE 21 9.890 2.856 -8.209 149 HD11 ILE 21 3HD1 ILE 21 11.982 3.017 -5.258 150 HD12 ILE 21 1HD1 ILE 21 10.571 3.052 -6.317 151 HD13 ILE 21 2HD1 ILE 21 11.938 4.122 -6.632 152 H HIS 22 H HIS 22 13.833 3.135 -10.317 153 HA HIS 22 HA HIS 22 16.501 2.084 -9.588 154 HB2 HIS 22 2HB HIS 22 15.831 3.792 -11.995 155 HB3 HIS 22 1HB HIS 22 17.431 3.207 -11.556 156 HD1 HIS 22 HD1 HIS 22 14.208 2.137 -13.081 157 HD2 HIS 22 HD2 HIS 22 17.914 0.510 -12.119 158 HE1 HIS 22 HE1 HIS 22 14.287 -0.089 -14.246 159 HE2 HIS 22 HE2 HIS 22 16.535 -1.054 -13.665 160 H VAL 23 H VAL 23 18.177 3.772 -9.330 161 HA VAL 23 HA VAL 23 17.438 5.991 -7.757 162 HB VAL 23 HB VAL 23 19.982 5.549 -9.350 163 HG11 VAL 23 1HG1 VAL 23 19.726 7.905 -8.767 164 HG12 VAL 23 2HG1 VAL 23 21.015 7.169 -7.816 165 HG13 VAL 23 3HG1 VAL 23 19.439 7.474 -7.083 166 HG21 VAL 23 3HG2 VAL 23 20.921 4.780 -7.202 167 HG22 VAL 23 1HG2 VAL 23 19.581 3.766 -7.739 168 HG23 VAL 23 2HG2 VAL 23 19.330 4.952 -6.457 169 H GLY 24 H GLY 24 16.282 7.685 -8.449 170 HA2 GLY 24 2HA GLY 24 16.148 9.695 -9.786 171 HA3 GLY 24 1HA GLY 24 16.817 8.798 -11.138 172 H ASP 25 H ASP 25 14.698 6.674 -9.885 173 HA ASP 25 HA ASP 25 12.598 7.378 -11.765 174 HB2 ASP 25 2HB ASP 25 13.007 4.984 -9.957 175 HB3 ASP 25 1HB ASP 25 11.592 5.186 -10.983 176 H SER 26 H SER 26 10.264 7.021 -10.990 177 HA SER 26 HA SER 26 9.865 8.390 -8.397 178 HB2 SER 26 2HB SER 26 7.739 9.253 -9.346 179 HB3 SER 26 1HB SER 26 9.144 9.785 -10.269 180 HG SER 26 HG SER 26 7.064 8.104 -10.992 181 H PHE 27 H PHE 27 8.006 7.771 -7.129 182 HA PHE 27 HA PHE 27 6.544 5.380 -7.798 183 HB2 PHE 27 2HB PHE 27 8.698 4.418 -7.055 184 HB3 PHE 27 1HB PHE 27 8.546 5.267 -5.521 185 HD1 PHE 27 HD2 PHE 27 7.122 2.585 -7.617 186 HD2 PHE 27 HD1 PHE 27 7.177 4.403 -3.763 187 HE1 PHE 27 HE2 PHE 27 5.874 0.674 -6.699 188 HE2 PHE 27 HE1 PHE 27 5.929 2.494 -2.843 189 HZ PHE 27 HZ PHE 27 5.273 0.631 -4.308 190 H VAL 28 H VAL 28 4.562 5.950 -7.155 191 HA VAL 28 HA VAL 28 4.213 7.382 -4.597 192 HB VAL 28 HB VAL 28 2.277 7.050 -6.909 193 HG11 VAL 28 1HG1 VAL 28 0.862 8.668 -5.701 194 HG12 VAL 28 2HG1 VAL 28 1.977 8.611 -4.334 195 HG13 VAL 28 3HG1 VAL 28 1.073 7.167 -4.797 196 HG21 VAL 28 3HG2 VAL 28 3.793 9.485 -5.950 197 HG22 VAL 28 1HG2 VAL 28 2.624 9.446 -7.271 198 HG23 VAL 28 2HG2 VAL 28 4.141 8.559 -7.411 199 HA PRO 29 HA PRO 29 3.071 3.210 -3.143 200 HB2 PRO 29 2HB PRO 29 2.565 4.096 -0.552 201 HB3 PRO 29 1HB PRO 29 4.124 3.524 -1.154 202 HG2 PRO 29 2HG PRO 29 3.125 6.325 -0.832 203 HG3 PRO 29 1HG PRO 29 4.744 5.666 -0.527 204 HD2 PRO 29 2HD PRO 29 4.210 7.095 -2.736 205 HD3 PRO 29 1HD PRO 29 5.323 5.710 -2.781 206 H MET 30 H MET 30 1.203 6.187 -2.529 207 HA MET 30 HA MET 30 -1.204 4.742 -1.871 208 HB2 MET 30 2HB MET 30 -0.641 7.664 -2.364 209 HB3 MET 30 1HB MET 30 -2.256 7.060 -2.030 210 HG2 MET 30 2HG MET 30 -0.077 6.348 -0.134 211 HG3 MET 30 1HG MET 30 -0.688 7.999 -0.123 212 HE1 MET 30 3HE MET 30 -2.732 4.621 -0.813 213 HE2 MET 30 1HE MET 30 -3.284 4.276 0.825 214 HE3 MET 30 2HE MET 30 -1.565 4.200 0.440 215 H ALA 31 H ALA 31 0.289 5.393 -4.799 216 HA ALA 31 HA ALA 31 -2.213 5.414 -6.322 217 HB1 ALA 31 3HB ALA 31 -0.394 6.885 -7.052 218 HB2 ALA 31 1HB ALA 31 -0.808 5.697 -8.289 219 HB3 ALA 31 2HB ALA 31 0.640 5.480 -7.304 220 H GLU 32 H GLU 32 0.341 3.256 -5.363 221 HA GLU 32 HA GLU 32 -0.378 1.187 -7.274 222 HB2 GLU 32 2HB GLU 32 1.561 1.056 -4.948 223 HB3 GLU 32 1HB GLU 32 1.421 -0.112 -6.255 224 HG2 GLU 32 2HG GLU 32 2.327 2.754 -6.505 225 HG3 GLU 32 1HG GLU 32 3.346 1.320 -6.592 226 H VAL 33 H VAL 33 -1.565 2.189 -4.309 227 HA VAL 33 HA VAL 33 -2.591 -0.501 -3.637 228 HB VAL 33 HB VAL 33 -1.992 1.795 -1.754 229 HG11 VAL 33 1HG1 VAL 33 -2.565 0.209 0.045 230 HG12 VAL 33 2HG1 VAL 33 -3.078 -0.964 -1.168 231 HG13 VAL 33 3HG1 VAL 33 -3.948 0.560 -0.991 232 HG21 VAL 33 3HG2 VAL 33 -0.273 0.298 -0.848 233 HG22 VAL 33 1HG2 VAL 33 0.018 0.664 -2.549 234 HG23 VAL 33 2HG2 VAL 33 -0.661 -0.897 -2.084 235 H LEU 34 H LEU 34 -4.745 -0.767 -3.429 236 HA LEU 34 HA LEU 34 -6.522 1.575 -3.332 237 HB2 LEU 34 2HB LEU 34 -5.966 0.713 -5.735 238 HB3 LEU 34 1HB LEU 34 -7.025 -0.622 -5.334 239 HG LEU 34 HG LEU 34 -7.877 2.283 -5.302 240 HD11 LEU 34 1HD1 LEU 34 -9.008 1.797 -7.423 241 HD12 LEU 34 2HD1 LEU 34 -8.286 0.187 -7.439 242 HD13 LEU 34 3HD1 LEU 34 -7.260 1.617 -7.560 243 HD21 LEU 34 3HD2 LEU 34 -10.154 1.356 -5.309 244 HD22 LEU 34 1HD2 LEU 34 -9.255 0.883 -3.868 245 HD23 LEU 34 2HD2 LEU 34 -9.486 -0.272 -5.181 246 H ALA 35 H ALA 35 -8.409 1.189 -2.160 247 HA ALA 35 HA ALA 35 -8.822 -1.592 -1.210 248 HB1 ALA 35 3HB ALA 35 -9.185 0.930 0.413 249 HB2 ALA 35 1HB ALA 35 -7.839 -0.200 0.551 250 HB3 ALA 35 2HB ALA 35 -9.472 -0.718 0.971 251 H ILE 36 H ILE 36 -10.730 -2.411 -1.728 252 HA ILE 36 HA ILE 36 -13.065 -0.612 -1.992 253 HB ILE 36 HB ILE 36 -12.456 -3.110 -3.596 254 HG12 ILE 36 2HG1 ILE 36 -11.256 -1.099 -4.363 255 HG13 ILE 36 1HG1 ILE 36 -12.467 -1.607 -5.535 256 HG21 ILE 36 1HG2 ILE 36 -14.823 -3.062 -3.086 257 HG22 ILE 36 2HG2 ILE 36 -14.576 -2.648 -4.782 258 HG23 ILE 36 3HG2 ILE 36 -14.935 -1.381 -3.609 259 HD11 ILE 36 3HD1 ILE 36 -12.746 0.655 -3.564 260 HD12 ILE 36 1HD1 ILE 36 -13.974 0.137 -4.722 261 HD13 ILE 36 2HD1 ILE 36 -12.443 0.801 -5.294 262 H ASP 37 H ASP 37 -14.612 -1.000 -0.537 263 HA ASP 37 HA ASP 37 -14.945 -3.749 0.479 264 HB2 ASP 37 2HB ASP 37 -14.356 -2.072 2.211 265 HB3 ASP 37 1HB ASP 37 -15.811 -1.164 1.800 266 H LYS 38 H LYS 38 -17.030 -4.636 0.562 267 HA LYS 38 HA LYS 38 -18.684 -3.854 -1.630 268 HB2 LYS 38 2HB LYS 38 -19.181 -5.937 0.512 269 HB3 LYS 38 1HB LYS 38 -20.062 -5.792 -1.005 270 HG2 LYS 38 2HG LYS 38 -18.025 -6.271 -2.257 271 HG3 LYS 38 1HG LYS 38 -17.109 -6.367 -0.754 272 HD2 LYS 38 2HD LYS 38 -17.558 -8.602 -1.430 273 HD3 LYS 38 1HD LYS 38 -18.624 -8.262 -0.069 274 HE2 LYS 38 2HE LYS 38 -19.529 -7.970 -2.925 275 HE3 LYS 38 1HE LYS 38 -19.614 -9.507 -2.070 276 HZ1 LYS 38 3HZ LYS 38 -20.985 -8.369 -0.373 277 HZ2 LYS 38 1HZ LYS 38 -21.706 -8.413 -1.901 278 HZ3 LYS 38 2HZ LYS 38 -21.002 -6.984 -1.341 279 H GLU 39 H GLU 39 -19.098 -3.706 1.900 280 HA GLU 39 HA GLU 39 -21.760 -2.578 1.659 281 HB2 GLU 39 2HB GLU 39 -20.044 -2.904 4.132 282 HB3 GLU 39 1HB GLU 39 -21.761 -2.534 4.099 283 HG2 GLU 39 2HG GLU 39 -21.799 -4.776 4.565 284 HG3 GLU 39 1HG GLU 39 -21.951 -4.795 2.812 285 H ASP 40 H ASP 40 -18.639 -1.426 2.924 286 HA ASP 40 HA ASP 40 -19.675 1.184 3.516 287 HB2 ASP 40 2HB ASP 40 -17.924 -0.134 4.842 288 HB3 ASP 40 1HB ASP 40 -16.774 0.336 3.596 289 H GLY 41 H GLY 41 -17.801 -0.231 0.903 290 HA2 GLY 41 2HA GLY 41 -17.946 0.775 -1.286 291 HA3 GLY 41 1HA GLY 41 -17.990 2.355 -0.525 292 H ASP 42 H ASP 42 -16.288 3.003 -1.983 293 HA ASP 42 HA ASP 42 -13.712 1.800 -1.968 294 HB2 ASP 42 2HB ASP 42 -14.493 3.300 -3.781 295 HB3 ASP 42 1HB ASP 42 -14.473 4.656 -2.657 296 H LEU 43 H LEU 43 -12.280 1.780 -0.360 297 HA LEU 43 HA LEU 43 -12.456 3.869 1.730 298 HB2 LEU 43 2HB LEU 43 -11.324 1.089 2.062 299 HB3 LEU 43 1HB LEU 43 -11.687 2.252 3.324 300 HG LEU 43 HG LEU 43 -13.647 0.673 1.658 301 HD11 LEU 43 1HD1 LEU 43 -14.389 -0.179 3.828 302 HD12 LEU 43 2HD1 LEU 43 -13.136 0.770 4.630 303 HD13 LEU 43 3HD1 LEU 43 -12.689 -0.535 3.529 304 HD21 LEU 43 3HD2 LEU 43 -15.448 1.826 2.820 305 HD22 LEU 43 1HD2 LEU 43 -14.482 2.964 1.883 306 HD23 LEU 43 2HD2 LEU 43 -14.282 2.868 3.631 307 H THR 44 H THR 44 -10.811 3.729 -0.828 308 HA THR 44 HA THR 44 -8.132 3.155 -0.340 309 HB THR 44 HB THR 44 -9.239 5.258 -2.222 310 HG1 THR 44 HG1 THR 44 -10.038 3.489 -3.107 311 HG21 THR 44 3HG2 THR 44 -6.578 3.812 -2.262 312 HG22 THR 44 1HG2 THR 44 -6.816 5.514 -1.868 313 HG23 THR 44 2HG2 THR 44 -7.166 4.928 -3.495 314 H SER 45 H SER 45 -9.904 6.165 0.279 315 HA SER 45 HA SER 45 -7.616 7.704 1.015 316 HB2 SER 45 2HB SER 45 -10.556 8.114 1.630 317 HB3 SER 45 1HB SER 45 -9.292 9.293 1.997 318 HG SER 45 HG SER 45 -10.573 9.332 -0.138 319 H LYS 46 H LYS 46 -9.445 5.323 2.713 320 HA LYS 46 HA LYS 46 -8.526 6.256 5.330 321 HB2 LYS 46 2HB LYS 46 -10.303 3.929 4.563 322 HB3 LYS 46 1HB LYS 46 -9.853 4.333 6.218 323 HG2 LYS 46 2HG LYS 46 -10.864 6.629 5.774 324 HG3 LYS 46 1HG LYS 46 -11.549 5.922 4.310 325 HD2 LYS 46 2HD LYS 46 -11.995 4.878 7.113 326 HD3 LYS 46 1HD LYS 46 -13.121 5.916 6.236 327 HE2 LYS 46 2HE LYS 46 -13.357 4.192 4.510 328 HE3 LYS 46 1HE LYS 46 -12.224 3.160 5.381 329 HZ1 LYS 46 3HZ LYS 46 -14.799 4.115 6.506 330 HZ2 LYS 46 1HZ LYS 46 -13.748 2.986 7.194 331 HZ3 LYS 46 2HZ LYS 46 -14.596 2.611 5.774 332 H ILE 47 H ILE 47 -6.966 4.788 2.970 333 HA ILE 47 HA ILE 47 -5.665 2.673 4.495 334 HB ILE 47 HB ILE 47 -4.841 3.849 1.828 335 HG12 ILE 47 2HG1 ILE 47 -6.506 1.368 2.351 336 HG13 ILE 47 1HG1 ILE 47 -7.137 2.898 1.749 337 HG21 ILE 47 1HG2 ILE 47 -3.604 1.744 1.548 338 HG22 ILE 47 2HG2 ILE 47 -4.098 1.240 3.163 339 HG23 ILE 47 3HG2 ILE 47 -3.047 2.642 2.961 340 HD11 ILE 47 3HD1 ILE 47 -5.729 2.678 -0.245 341 HD12 ILE 47 1HD1 ILE 47 -6.845 1.326 -0.059 342 HD13 ILE 47 2HD1 ILE 47 -5.145 1.126 0.354 343 H LYS 48 H LYS 48 -4.103 3.167 5.965 344 HA LYS 48 HA LYS 48 -2.522 5.609 5.651 345 HB2 LYS 48 2HB LYS 48 -3.370 5.047 7.902 346 HB3 LYS 48 1HB LYS 48 -2.458 3.541 7.867 347 HG2 LYS 48 2HG LYS 48 -0.373 4.924 7.592 348 HG3 LYS 48 1HG LYS 48 -1.361 6.349 7.897 349 HD2 LYS 48 2HD LYS 48 -1.966 5.448 10.105 350 HD3 LYS 48 1HD LYS 48 -0.963 4.027 9.795 351 HE2 LYS 48 2HE LYS 48 -0.007 6.891 9.953 352 HE3 LYS 48 1HE LYS 48 0.233 5.646 11.177 353 HZ1 LYS 48 3HZ LYS 48 1.632 4.432 9.705 354 HZ2 LYS 48 1HZ LYS 48 2.176 6.033 9.709 355 HZ3 LYS 48 2HZ LYS 48 1.276 5.450 8.403 356 H VAL 49 H VAL 49 -0.288 5.637 5.357 357 HA VAL 49 HA VAL 49 0.931 3.114 4.440 358 HB VAL 49 HB VAL 49 1.900 5.952 3.979 359 HG11 VAL 49 1HG1 VAL 49 3.366 4.957 2.290 360 HG12 VAL 49 2HG1 VAL 49 2.773 3.349 2.710 361 HG13 VAL 49 3HG1 VAL 49 3.692 4.286 3.889 362 HG21 VAL 49 3HG2 VAL 49 0.395 4.120 2.099 363 HG22 VAL 49 1HG2 VAL 49 1.057 5.705 1.691 364 HG23 VAL 49 2HG2 VAL 49 -0.249 5.570 2.868 365 H ASP 50 H ASP 50 2.889 2.391 5.299 366 HA ASP 50 HA ASP 50 4.176 4.027 7.379 367 HB2 ASP 50 2HB ASP 50 2.778 2.306 8.486 368 HB3 ASP 50 1HB ASP 50 3.661 1.048 7.623 369 H GLY 51 H GLY 51 6.339 4.170 7.186 370 HA2 GLY 51 2HA GLY 51 8.513 3.343 6.622 371 HA3 GLY 51 1HA GLY 51 7.772 2.226 5.485 372 H GLU 52 H GLU 52 9.819 3.488 4.434 373 HA GLU 52 HA GLU 52 8.648 5.315 2.500 374 HB2 GLU 52 2HB GLU 52 10.667 6.180 4.535 375 HB3 GLU 52 1HB GLU 52 10.788 6.841 2.912 376 HG2 GLU 52 2HG GLU 52 8.295 6.986 4.597 377 HG3 GLU 52 1HG GLU 52 9.523 8.250 4.537 378 H VAL 53 H VAL 53 9.724 5.384 0.539 379 HA VAL 53 HA VAL 53 12.052 3.573 0.250 380 HB VAL 53 HB VAL 53 9.948 4.276 -1.821 381 HG11 VAL 53 1HG1 VAL 53 12.328 2.414 -2.004 382 HG12 VAL 53 2HG1 VAL 53 12.099 3.923 -2.887 383 HG13 VAL 53 3HG1 VAL 53 11.048 2.546 -3.210 384 HG21 VAL 53 3HG2 VAL 53 9.085 2.778 -0.095 385 HG22 VAL 53 1HG2 VAL 53 10.445 1.683 -0.345 386 HG23 VAL 53 2HG2 VAL 53 9.262 1.928 -1.630 387 H ASP 54 H ASP 54 13.873 4.774 0.094 388 HA ASP 54 HA ASP 54 13.999 7.402 -0.974 389 HB2 ASP 54 2HB ASP 54 16.200 5.375 -0.486 390 HB3 ASP 54 1HB ASP 54 16.459 7.083 -0.844 391 H THR 55 H THR 55 14.471 8.135 -3.000 392 HA THR 55 HA THR 55 14.661 6.102 -5.136 393 HB THR 55 HB THR 55 13.855 7.878 -6.672 394 HG1 THR 55 HG1 THR 55 13.367 9.863 -5.945 395 HG21 THR 55 3HG2 THR 55 12.236 6.339 -5.685 396 HG22 THR 55 1HG2 THR 55 11.533 7.949 -5.841 397 HG23 THR 55 2HG2 THR 55 12.086 7.377 -4.267 398 H THR 56 H THR 56 16.589 8.329 -3.514 399 HA THR 56 HA THR 56 18.352 8.754 -5.838 400 HB THR 56 HB THR 56 17.864 10.742 -4.451 401 HG1 THR 56 HG1 THR 56 20.592 9.922 -4.206 402 HG21 THR 56 3HG2 THR 56 18.802 10.944 -2.203 403 HG22 THR 56 1HG2 THR 56 19.385 9.280 -2.279 404 HG23 THR 56 2HG2 THR 56 17.653 9.609 -2.268 405 H LYS 57 H LYS 57 17.972 6.388 -3.614 406 HA LYS 57 HA LYS 57 20.794 5.630 -3.740 407 HB2 LYS 57 2HB LYS 57 20.476 6.867 -1.605 408 HB3 LYS 57 1HB LYS 57 19.261 5.687 -1.130 409 HG2 LYS 57 2HG LYS 57 20.883 3.941 -1.017 410 HG3 LYS 57 1HG LYS 57 22.120 4.969 -1.749 411 HD2 LYS 57 2HD LYS 57 21.995 6.474 0.208 412 HD3 LYS 57 1HD LYS 57 20.815 5.391 0.949 413 HE2 LYS 57 2HE LYS 57 22.458 3.610 1.037 414 HE3 LYS 57 1HE LYS 57 23.629 4.612 0.177 415 HZ1 LYS 57 3HZ LYS 57 22.531 5.105 2.890 416 HZ2 LYS 57 1HZ LYS 57 23.532 6.183 2.057 417 HZ3 LYS 57 2HZ LYS 57 24.113 4.664 2.500 418 H ALA 58 H ALA 58 21.109 3.474 -3.993 419 HA ALA 58 HA ALA 58 18.805 1.871 -4.614 420 HB1 ALA 58 3HB ALA 58 21.719 1.092 -4.611 421 HB2 ALA 58 1HB ALA 58 20.845 1.795 -5.972 422 HB3 ALA 58 2HB ALA 58 20.395 0.202 -5.362 423 H GLY 59 H GLY 59 18.099 -0.008 -3.641 424 HA2 GLY 59 2HA GLY 59 19.134 -1.611 -1.737 425 HA3 GLY 59 1HA GLY 59 18.609 -0.225 -0.791 426 H THR 60 H THR 60 17.502 -2.678 -0.252 427 HA THR 60 HA THR 60 14.886 -2.723 -1.584 428 HB THR 60 HB THR 60 16.064 -4.651 0.431 429 HG1 THR 60 HG1 THR 60 15.533 -5.121 -2.326 430 HG21 THR 60 3HG2 THR 60 14.176 -6.121 -0.197 431 HG22 THR 60 1HG2 THR 60 13.498 -4.808 -1.159 432 HG23 THR 60 2HG2 THR 60 13.633 -4.637 0.592 433 H TYR 61 H TYR 61 13.159 -1.769 -0.722 434 HA TYR 61 HA TYR 61 13.145 -1.121 2.167 435 HB2 TYR 61 2HB TYR 61 11.786 0.459 -0.036 436 HB3 TYR 61 1HB TYR 61 11.934 0.915 1.658 437 HD1 TYR 61 HD2 TYR 61 13.765 0.538 -1.524 438 HD2 TYR 61 HD1 TYR 61 13.946 1.971 2.482 439 HE1 TYR 61 HE2 TYR 61 15.830 1.755 -2.060 440 HE2 TYR 61 HE1 TYR 61 16.013 3.196 1.952 441 HH TYR 61 HH TYR 61 17.137 3.604 -1.285 442 H VAL 62 H VAL 62 11.244 -1.539 3.322 443 HA VAL 62 HA VAL 62 9.091 -2.924 1.837 444 HB VAL 62 HB VAL 62 9.886 -3.285 4.741 445 HG11 VAL 62 1HG1 VAL 62 8.262 -5.136 4.749 446 HG12 VAL 62 2HG1 VAL 62 7.773 -4.713 3.108 447 HG13 VAL 62 3HG1 VAL 62 7.483 -3.586 4.433 448 HG21 VAL 62 3HG2 VAL 62 11.515 -4.259 3.201 449 HG22 VAL 62 1HG2 VAL 62 10.230 -5.140 2.375 450 HG23 VAL 62 2HG2 VAL 62 10.623 -5.519 4.052 451 H LEU 63 H LEU 63 7.073 -2.123 1.923 452 HA LEU 63 HA LEU 63 6.495 0.088 3.806 453 HB2 LEU 63 2HB LEU 63 5.288 -0.384 1.070 454 HB3 LEU 63 1HB LEU 63 4.969 0.982 2.124 455 HG LEU 63 HG LEU 63 7.598 0.364 0.756 456 HD11 LEU 63 1HD1 LEU 63 7.149 2.392 -0.528 457 HD12 LEU 63 2HD1 LEU 63 5.595 2.576 0.287 458 HD13 LEU 63 3HD1 LEU 63 5.880 1.192 -0.770 459 HD21 LEU 63 3HD2 LEU 63 7.980 1.385 2.934 460 HD22 LEU 63 1HD2 LEU 63 6.836 2.674 2.551 461 HD23 LEU 63 2HD2 LEU 63 8.342 2.528 1.641 462 H THR 64 H THR 64 4.568 0.062 4.941 463 HA THR 64 HA THR 64 2.855 -2.334 4.628 464 HB THR 64 HB THR 64 3.360 -0.712 7.140 465 HG1 THR 64 HG1 THR 64 4.737 -2.258 7.674 466 HG21 THR 64 3HG2 THR 64 1.656 -3.180 6.724 467 HG22 THR 64 1HG2 THR 64 1.067 -1.561 7.100 468 HG23 THR 64 2HG2 THR 64 2.031 -2.446 8.283 469 H TYR 65 H TYR 65 0.703 -2.085 4.347 470 HA TYR 65 HA TYR 65 -0.434 0.644 4.502 471 HB2 TYR 65 2HB TYR 65 -1.208 -1.474 2.476 472 HB3 TYR 65 1HB TYR 65 -1.759 0.198 2.530 473 HD1 TYR 65 HD2 TYR 65 -0.209 2.039 1.898 474 HD2 TYR 65 HD1 TYR 65 0.906 -2.058 1.520 475 HE1 TYR 65 HE2 TYR 65 1.652 2.683 0.425 476 HE2 TYR 65 HE1 TYR 65 2.767 -1.421 0.051 477 HH TYR 65 HH TYR 65 3.835 1.773 -0.279 478 H THR 66 H THR 66 -2.369 0.846 5.544 479 HA THR 66 HA THR 66 -3.862 -1.592 6.273 480 HB THR 66 HB THR 66 -2.985 0.533 8.256 481 HG1 THR 66 HG1 THR 66 -2.249 -1.803 9.112 482 HG21 THR 66 3HG2 THR 66 -4.104 -0.870 9.947 483 HG22 THR 66 1HG2 THR 66 -4.717 -1.916 8.667 484 HG23 THR 66 2HG2 THR 66 -5.248 -0.236 8.764 485 H VAL 67 H VAL 67 -6.050 -1.367 6.240 486 HA VAL 67 HA VAL 67 -7.202 1.354 6.166 487 HB VAL 67 HB VAL 67 -7.055 0.550 3.859 488 HG11 VAL 67 1HG1 VAL 67 -8.333 -1.400 3.096 489 HG12 VAL 67 2HG1 VAL 67 -8.765 -1.768 4.767 490 HG13 VAL 67 3HG1 VAL 67 -7.080 -1.849 4.253 491 HG21 VAL 67 3HG2 VAL 67 -9.890 0.592 4.908 492 HG22 VAL 67 1HG2 VAL 67 -9.418 0.824 3.223 493 HG23 VAL 67 2HG2 VAL 67 -8.921 1.992 4.446 494 H THR 68 H THR 68 -9.318 1.566 7.008 495 HA THR 68 HA THR 68 -10.223 -0.750 8.618 496 HB THR 68 HB THR 68 -10.393 2.175 9.396 497 HG1 THR 68 HG1 THR 68 -8.334 0.577 9.522 498 HG21 THR 68 3HG2 THR 68 -11.074 -0.318 10.977 499 HG22 THR 68 1HG2 THR 68 -12.240 0.831 10.318 500 HG23 THR 68 2HG2 THR 68 -11.121 1.339 11.583 501 H ASP 69 H ASP 69 -12.248 -1.414 8.357 502 HA ASP 69 HA ASP 69 -14.160 -0.068 6.677 503 HB2 ASP 69 2HB ASP 69 -13.936 -2.552 6.865 504 HB3 ASP 69 1HB ASP 69 -14.517 -2.457 8.518 505 H SER 70 H SER 70 -16.298 0.656 7.381 506 HA SER 70 HA SER 70 -16.310 2.415 9.535 507 HB2 SER 70 2HB SER 70 -17.915 2.605 7.708 508 HB3 SER 70 1HB SER 70 -18.685 1.094 8.192 509 HG SER 70 HG SER 70 -19.352 3.463 8.987 510 H LYS 71 H LYS 71 -17.252 -0.987 9.484 511 HA LYS 71 HA LYS 71 -18.456 -0.976 12.092 512 HB2 LYS 71 2HB LYS 71 -17.453 -3.291 10.420 513 HB3 LYS 71 1HB LYS 71 -18.420 -3.442 11.880 514 HG2 LYS 71 2HG LYS 71 -19.285 -2.145 9.300 515 HG3 LYS 71 1HG LYS 71 -19.780 -3.731 9.893 516 HD2 LYS 71 2HD LYS 71 -20.756 -2.578 11.902 517 HD3 LYS 71 1HD LYS 71 -20.410 -1.037 11.112 518 HE2 LYS 71 2HE LYS 71 -22.216 -3.228 10.077 519 HE3 LYS 71 1HE LYS 71 -22.726 -1.677 10.737 520 HZ1 LYS 71 3HZ LYS 71 -21.720 -0.554 8.893 521 HZ2 LYS 71 1HZ LYS 71 -22.745 -1.753 8.294 522 HZ3 LYS 71 2HZ LYS 71 -21.070 -1.992 8.291 523 H GLY 72 H GLY 72 -15.215 -0.961 11.060 524 HA2 GLY 72 2HA GLY 72 -13.468 -0.730 12.727 525 HA3 GLY 72 1HA GLY 72 -14.321 -1.896 13.721 526 H HIS 73 H HIS 73 -14.406 -3.020 10.565 527 HA HIS 73 HA HIS 73 -12.486 -5.077 11.061 528 HB2 HIS 73 2HB HIS 73 -14.033 -4.303 8.586 529 HB3 HIS 73 1HB HIS 73 -12.850 -5.603 8.574 530 HD1 HIS 73 HD1 HIS 73 -16.259 -5.398 8.542 531 HD2 HIS 73 HD2 HIS 73 -13.634 -7.323 11.129 532 HE1 HIS 73 HE1 HIS 73 -17.594 -7.233 9.613 533 HE2 HIS 73 HE2 HIS 73 -16.032 -8.286 11.276 534 H GLU 74 H GLU 74 -10.393 -4.464 11.265 535 HA GLU 74 HA GLU 74 -9.206 -2.643 9.297 536 HB2 GLU 74 2HB GLU 74 -8.813 -2.102 11.628 537 HB3 GLU 74 1HB GLU 74 -8.196 -3.716 11.941 538 HG2 GLU 74 2HG GLU 74 -6.773 -2.176 9.857 539 HG3 GLU 74 1HG GLU 74 -6.643 -1.555 11.500 540 H VAL 75 H VAL 75 -8.031 -3.386 7.649 541 HA VAL 75 HA VAL 75 -6.677 -5.999 7.906 542 HB VAL 75 HB VAL 75 -7.034 -6.412 5.500 543 HG11 VAL 75 1HG1 VAL 75 -9.415 -6.995 5.620 544 HG12 VAL 75 2HG1 VAL 75 -9.589 -5.980 7.053 545 HG13 VAL 75 3HG1 VAL 75 -8.562 -7.414 7.105 546 HG21 VAL 75 3HG2 VAL 75 -8.665 -5.087 4.239 547 HG22 VAL 75 1HG2 VAL 75 -7.290 -4.103 4.743 548 HG23 VAL 75 2HG2 VAL 75 -8.826 -3.981 5.603 549 H THR 76 H THR 76 -4.741 -6.247 6.595 550 HA THR 76 HA THR 76 -3.451 -3.746 5.774 551 HB THR 76 HB THR 76 -2.960 -3.903 8.168 552 HG1 THR 76 HG1 THR 76 -1.311 -3.054 6.850 553 HG21 THR 76 3HG2 THR 76 -1.648 -5.743 9.089 554 HG22 THR 76 1HG2 THR 76 -1.651 -6.556 7.523 555 HG23 THR 76 2HG2 THR 76 -3.160 -6.352 8.416 556 H ALA 77 H ALA 77 -1.701 -3.979 4.409 557 HA ALA 77 HA ALA 77 -0.669 -6.635 3.779 558 HB1 ALA 77 3HB ALA 77 -1.898 -4.864 1.659 559 HB2 ALA 77 1HB ALA 77 -2.574 -6.380 2.256 560 HB3 ALA 77 2HB ALA 77 -1.046 -6.382 1.375 561 H LYS 78 H LYS 78 1.345 -6.543 2.527 562 HA LYS 78 HA LYS 78 2.698 -3.931 2.847 563 HB2 LYS 78 2HB LYS 78 3.829 -6.665 3.497 564 HB3 LYS 78 1HB LYS 78 4.708 -5.143 3.603 565 HG2 LYS 78 2HG LYS 78 3.198 -4.347 5.328 566 HG3 LYS 78 1HG LYS 78 2.235 -5.819 5.195 567 HD2 LYS 78 2HD LYS 78 4.174 -7.140 5.940 568 HD3 LYS 78 1HD LYS 78 5.120 -5.654 6.084 569 HE2 LYS 78 2HE LYS 78 3.568 -4.817 7.777 570 HE3 LYS 78 1HE LYS 78 2.587 -6.272 7.615 571 HZ1 LYS 78 3HZ LYS 78 4.472 -7.569 8.402 572 HZ2 LYS 78 1HZ LYS 78 4.021 -6.400 9.536 573 HZ3 LYS 78 2HZ LYS 78 5.390 -6.161 8.578 574 H GLN 79 H GLN 79 4.483 -3.483 1.495 575 HA GLN 79 HA GLN 79 4.681 -5.086 -0.978 576 HB2 GLN 79 2HB GLN 79 3.260 -3.224 -1.535 577 HB3 GLN 79 1HB GLN 79 4.338 -2.086 -0.733 578 HG2 GLN 79 2HG GLN 79 6.058 -2.535 -2.431 579 HG3 GLN 79 1HG GLN 79 4.963 -3.657 -3.234 580 HE21 GLN 79 1HE2 GLN 79 3.902 -0.635 -1.800 581 HE22 GLN 79 2HE2 GLN 79 3.530 0.142 -3.291 582 H THR 80 H THR 80 6.727 -5.554 -1.550 583 HA THR 80 HA THR 80 8.931 -4.173 -0.169 584 HB THR 80 HB THR 80 8.939 -6.796 -1.691 585 HG1 THR 80 HG1 THR 80 8.274 -7.542 0.172 586 HG21 THR 80 3HG2 THR 80 11.127 -5.709 -1.825 587 HG22 THR 80 1HG2 THR 80 11.198 -7.100 -0.744 588 HG23 THR 80 2HG2 THR 80 11.131 -5.467 -0.077 589 H VAL 81 H VAL 81 9.757 -2.499 -1.260 590 HA VAL 81 HA VAL 81 9.867 -2.585 -4.205 591 HB VAL 81 HB VAL 81 10.147 -0.174 -2.394 592 HG11 VAL 81 1HG1 VAL 81 9.755 -0.363 -5.389 593 HG12 VAL 81 2HG1 VAL 81 11.237 0.116 -4.559 594 HG13 VAL 81 3HG1 VAL 81 9.798 1.130 -4.447 595 HG21 VAL 81 3HG2 VAL 81 7.847 0.400 -3.092 596 HG22 VAL 81 1HG2 VAL 81 7.911 -1.104 -2.177 597 HG23 VAL 81 2HG2 VAL 81 7.729 -1.149 -3.929 598 H THR 82 H THR 82 11.797 -3.074 -5.064 599 HA THR 82 HA THR 82 14.261 -2.490 -3.550 600 HB THR 82 HB THR 82 13.866 -4.309 -5.944 601 HG1 THR 82 HG1 THR 82 13.522 -5.827 -4.511 602 HG21 THR 82 3HG2 THR 82 16.319 -3.834 -4.239 603 HG22 THR 82 1HG2 THR 82 16.124 -3.383 -5.934 604 HG23 THR 82 2HG2 THR 82 16.159 -5.084 -5.472 605 H VAL 83 H VAL 83 15.681 -0.990 -4.216 606 HA VAL 83 HA VAL 83 15.201 0.387 -6.774 607 HB VAL 83 HB VAL 83 16.817 1.348 -4.398 608 HG11 VAL 83 1HG1 VAL 83 17.523 2.355 -6.508 609 HG12 VAL 83 2HG1 VAL 83 16.705 3.542 -5.492 610 HG13 VAL 83 3HG1 VAL 83 15.856 2.818 -6.857 611 HG21 VAL 83 3HG2 VAL 83 14.461 1.129 -3.796 612 HG22 VAL 83 1HG2 VAL 83 13.999 2.071 -5.214 613 HG23 VAL 83 2HG2 VAL 83 14.917 2.828 -3.914 614 H LYS 84 H LYS 84 16.672 0.302 -8.382 615 HA LYS 84 HA LYS 84 19.362 -0.797 -7.809 616 HB2 LYS 84 2HB LYS 84 17.801 -0.969 -10.404 617 HB3 LYS 84 1HB LYS 84 19.389 -1.665 -10.100 618 HG2 LYS 84 2HG LYS 84 18.375 -3.102 -8.351 619 HG3 LYS 84 1HG LYS 84 16.794 -2.453 -8.783 620 HD2 LYS 84 2HD LYS 84 16.972 -4.517 -9.918 621 HD3 LYS 84 1HD LYS 84 17.243 -3.278 -11.143 622 HE2 LYS 84 2HE LYS 84 19.461 -4.740 -9.702 623 HE3 LYS 84 1HE LYS 84 18.797 -5.255 -11.247 624 HZ1 LYS 84 3HZ LYS 84 20.751 -4.014 -11.672 625 HZ2 LYS 84 1HZ LYS 84 20.263 -2.741 -10.671 626 HZ3 LYS 84 2HZ LYS 84 19.453 -3.033 -12.124 627 H VAL 85 H VAL 85 21.142 0.027 -9.124 628 HA VAL 85 HA VAL 85 20.860 2.908 -9.514 629 HB VAL 85 HB VAL 85 23.374 1.221 -9.628 630 HG11 VAL 85 1HG1 VAL 85 23.619 3.355 -10.780 631 HG12 VAL 85 2HG1 VAL 85 24.557 3.347 -9.287 632 HG13 VAL 85 3HG1 VAL 85 23.020 4.211 -9.358 633 HG21 VAL 85 3HG2 VAL 85 22.342 1.047 -7.429 634 HG22 VAL 85 1HG2 VAL 85 22.237 2.804 -7.318 635 HG23 VAL 85 2HG2 VAL 85 23.813 2.014 -7.344 636 H ARG 86 H ARG 86 21.101 3.986 -11.425 637 HA ARG 86 HA ARG 86 21.239 2.441 -13.892 638 HB2 ARG 86 2HB ARG 86 20.734 5.361 -13.312 639 HB3 ARG 86 1HB ARG 86 20.937 4.751 -14.948 640 HG2 ARG 86 2HG ARG 86 19.007 3.272 -14.630 641 HG3 ARG 86 1HG ARG 86 18.796 3.907 -12.996 642 HD2 ARG 86 2HD ARG 86 17.303 4.928 -14.757 643 HD3 ARG 86 1HD ARG 86 18.256 6.074 -13.813 644 HE ARG 86 HE ARG 86 19.578 6.506 -15.694 645 HH11 ARG 86 1HH1 ARG 86 17.170 4.147 -16.390 646 HH12 ARG 86 2HH1 ARG 86 17.325 4.337 -18.101 647 HH21 ARG 86 1HH2 ARG 86 19.765 6.750 -17.879 648 HH22 ARG 86 2HH2 ARG 86 18.759 5.821 -18.934 649 H GLU 87 H GLU 87 22.738 5.607 -13.306 650 HA GLU 87 HA GLU 87 25.186 4.706 -14.592 651 HB2 GLU 87 2HB GLU 87 24.363 7.426 -13.541 652 HB3 GLU 87 1HB GLU 87 25.888 7.097 -14.345 653 HG2 GLU 87 2HG GLU 87 24.404 8.103 -15.920 654 HG3 GLU 87 1HG GLU 87 24.622 6.413 -16.369 655 H GLU 88 H GLU 88 26.800 3.822 -13.454 656 HA GLU 88 HA GLU 88 26.882 4.154 -10.543 657 HB2 GLU 88 2HB GLU 88 28.515 2.333 -12.324 658 HB3 GLU 88 1HB GLU 88 28.458 2.284 -10.567 659 HG2 GLU 88 2HG GLU 88 26.071 1.693 -10.678 660 HG3 GLU 88 1HG GLU 88 26.167 1.701 -12.440 661 H VAL 89 H VAL 89 29.341 3.966 -9.707 662 HA VAL 89 HA VAL 89 30.647 6.407 -10.593 663 HB VAL 89 HB VAL 89 31.465 4.497 -8.384 664 HG11 VAL 89 1HG1 VAL 89 32.770 6.399 -7.524 665 HG12 VAL 89 2HG1 VAL 89 32.320 7.345 -8.942 666 HG13 VAL 89 3HG1 VAL 89 33.315 5.901 -9.125 667 HG21 VAL 89 3HG2 VAL 89 29.236 5.392 -7.972 668 HG22 VAL 89 1HG2 VAL 89 29.824 7.034 -8.230 669 HG23 VAL 89 2HG2 VAL 89 30.398 6.097 -6.850 670 H LYS 90 H LYS 90 32.621 6.555 -11.605 671 HA LYS 90 HA LYS 90 33.534 4.359 -13.164 672 HB2 LYS 90 2HB LYS 90 34.868 7.019 -12.605 673 HB3 LYS 90 1HB LYS 90 35.391 5.869 -13.827 674 HG2 LYS 90 2HG LYS 90 33.209 6.136 -14.968 675 HG3 LYS 90 1HG LYS 90 32.766 7.360 -13.774 676 HD2 LYS 90 2HD LYS 90 34.731 8.698 -14.459 677 HD3 LYS 90 1HD LYS 90 35.104 7.489 -15.688 678 HE2 LYS 90 2HE LYS 90 32.595 9.163 -15.541 679 HE3 LYS 90 1HE LYS 90 33.935 9.402 -16.658 680 HZ1 LYS 90 3HZ LYS 90 33.467 7.186 -17.574 681 HZ2 LYS 90 1HZ LYS 90 32.158 8.242 -17.749 682 HZ3 LYS 90 2HZ LYS 90 32.127 7.051 -16.553 683 H ASN 91 H ASN 91 34.433 5.469 -10.005 684 HA ASN 91 HA ASN 91 36.950 3.940 -10.079 685 HB2 ASN 91 2HB ASN 91 36.038 6.135 -8.207 686 HB3 ASN 91 1HB ASN 91 37.554 5.250 -8.042 687 HD21 ASN 91 1HD2 ASN 91 39.180 5.561 -9.581 688 HD22 ASN 91 2HD2 ASN 91 39.195 6.950 -10.610 689 H ASP 92 H ASP 92 37.545 2.596 -8.339 690 HA ASP 92 HA ASP 92 35.438 0.966 -7.323 691 HB2 ASP 92 2HB ASP 92 38.399 1.000 -6.686 692 HB3 ASP 92 1HB ASP 92 37.279 -0.255 -6.166 693 H LYS 93 H LYS 93 34.166 1.532 -5.647 694 HA LYS 93 HA LYS 93 35.311 1.981 -3.078 695 HB2 LYS 93 2HB LYS 93 35.283 4.287 -4.401 696 HB3 LYS 93 1HB LYS 93 33.602 4.305 -3.881 697 HG2 LYS 93 2HG LYS 93 34.241 4.235 -1.576 698 HG3 LYS 93 1HG LYS 93 35.928 3.945 -2.000 699 HD2 LYS 93 2HD LYS 93 35.793 6.206 -3.237 700 HD3 LYS 93 1HD LYS 93 34.321 6.469 -2.301 701 HE2 LYS 93 2HE LYS 93 36.278 7.468 -1.212 702 HE3 LYS 93 1HE LYS 93 35.571 6.188 -0.225 703 HZ1 LYS 93 3HZ LYS 93 37.288 4.695 -0.903 704 HZ2 LYS 93 1HZ LYS 93 38.027 6.111 -0.353 705 HZ3 LYS 93 2HZ LYS 93 37.914 5.805 -2.013 706 HA PRO 94 HA PRO 94 31.010 0.210 -3.078 707 HB2 PRO 94 2HB PRO 94 31.586 -2.109 -1.811 708 HB3 PRO 94 1HB PRO 94 31.796 -1.913 -3.556 709 HG2 PRO 94 2HG PRO 94 33.848 -1.782 -1.373 710 HG3 PRO 94 1HG PRO 94 33.951 -2.568 -2.960 711 HD2 PRO 94 2HD PRO 94 35.044 -0.115 -2.421 712 HD3 PRO 94 1HD PRO 94 34.497 -0.608 -4.036 713 H ILE 95 H ILE 95 30.606 1.986 -1.609 714 HA ILE 95 HA ILE 95 31.400 1.795 1.158 715 HB ILE 95 HB ILE 95 30.016 3.830 1.477 716 HG12 ILE 95 2HG1 ILE 95 29.412 3.472 -1.479 717 HG13 ILE 95 1HG1 ILE 95 28.249 3.374 -0.161 718 HG21 ILE 95 1HG2 ILE 95 32.354 4.023 0.827 719 HG22 ILE 95 2HG2 ILE 95 31.402 5.309 0.088 720 HG23 ILE 95 3HG2 ILE 95 31.910 3.922 -0.876 721 HD11 ILE 95 3HD1 ILE 95 28.061 5.488 -1.314 722 HD12 ILE 95 1HD1 ILE 95 29.764 5.833 -1.013 723 HD13 ILE 95 2HD1 ILE 95 28.630 5.744 0.335 724 H LEU 96 H LEU 96 29.159 0.067 -0.439 725 HA LEU 96 HA LEU 96 27.259 -0.013 1.812 726 HB2 LEU 96 2HB LEU 96 27.037 -1.202 -0.961 727 HB3 LEU 96 1HB LEU 96 25.810 -1.317 0.288 728 HG LEU 96 HG LEU 96 26.741 1.238 -1.046 729 HD11 LEU 96 1HD1 LEU 96 24.151 -0.293 -1.300 730 HD12 LEU 96 2HD1 LEU 96 25.395 -0.126 -2.539 731 HD13 LEU 96 3HD1 LEU 96 24.485 1.287 -2.010 732 HD21 LEU 96 3HD2 LEU 96 26.108 1.628 1.281 733 HD22 LEU 96 1HD2 LEU 96 24.571 0.804 1.013 734 HD23 LEU 96 2HD2 LEU 96 24.918 2.319 0.180 735 H GLU 97 H GLU 97 26.332 -2.437 2.019 736 HA GLU 97 HA GLU 97 28.549 -4.021 2.938 737 HB2 GLU 97 2HB GLU 97 25.593 -4.680 2.831 738 HB3 GLU 97 1HB GLU 97 26.815 -5.627 3.672 739 HG2 GLU 97 2HG GLU 97 25.947 -2.810 4.318 740 HG3 GLU 97 1HG GLU 97 25.607 -4.265 5.251 Start of MODEL 5 1 H1 MET 1 1H MET 1 -42.980 -4.865 9.479 2 H2 MET 1 2H MET 1 -42.065 -4.331 10.796 3 H3 MET 1 3H MET 1 -43.725 -4.589 10.973 4 HA MET 1 HA MET 1 -42.498 -6.371 11.987 5 HB2 MET 1 2HB MET 1 -43.547 -8.272 10.753 6 HB3 MET 1 1HB MET 1 -44.655 -6.947 11.085 7 HG2 MET 1 2HG MET 1 -44.436 -6.165 8.792 8 HG3 MET 1 1HG MET 1 -43.294 -7.464 8.446 9 HE1 MET 1 3HE MET 1 -43.946 -10.030 8.348 10 HE2 MET 1 1HE MET 1 -45.547 -10.641 8.764 11 HE3 MET 1 2HE MET 1 -44.531 -9.913 10.009 12 H GLY 2 H GLY 2 -40.403 -6.949 12.088 13 HA2 GLY 2 2HA GLY 2 -39.057 -8.713 10.610 14 HA3 GLY 2 1HA GLY 2 -38.846 -7.272 9.631 15 H ASN 3 H ASN 3 -37.234 -9.128 11.704 16 HA ASN 3 HA ASN 3 -35.376 -7.002 12.369 17 HB2 ASN 3 2HB ASN 3 -35.330 -7.338 14.745 18 HB3 ASN 3 1HB ASN 3 -37.004 -7.046 14.292 19 HD21 ASN 3 1HD2 ASN 3 -38.467 -8.796 14.312 20 HD22 ASN 3 2HD2 ASN 3 -38.136 -10.224 15.227 21 H GLY 4 H GLY 4 -33.385 -7.927 13.508 22 HA2 GLY 4 2HA GLY 4 -32.649 -10.509 13.828 23 HA3 GLY 4 1HA GLY 4 -32.554 -10.311 12.084 24 H GLU 5 H GLU 5 -30.259 -10.965 12.815 25 HA GLU 5 HA GLU 5 -28.673 -8.489 13.008 26 HB2 GLU 5 2HB GLU 5 -28.121 -11.040 14.551 27 HB3 GLU 5 1HB GLU 5 -27.015 -9.678 14.441 28 HG2 GLU 5 2HG GLU 5 -28.746 -8.250 15.509 29 HG3 GLU 5 1HG GLU 5 -29.745 -9.690 15.714 30 H THR 6 H THR 6 -26.899 -8.408 11.679 31 HA THR 6 HA THR 6 -26.179 -10.844 10.176 32 HB THR 6 HB THR 6 -27.657 -9.608 8.707 33 HG1 THR 6 HG1 THR 6 -26.031 -10.531 7.549 34 HG21 THR 6 3HG2 THR 6 -25.774 -7.265 9.066 35 HG22 THR 6 1HG2 THR 6 -27.421 -7.373 9.695 36 HG23 THR 6 2HG2 THR 6 -27.143 -7.331 7.954 37 H SER 7 H SER 7 -24.038 -10.986 9.462 38 HA SER 7 HA SER 7 -22.144 -9.345 10.950 39 HB2 SER 7 2HB SER 7 -21.659 -11.717 9.116 40 HB3 SER 7 1HB SER 7 -20.448 -10.948 10.141 41 HG SER 7 HG SER 7 -22.831 -12.218 11.042 42 H ASP 8 H ASP 8 -20.773 -7.841 10.114 43 HA ASP 8 HA ASP 8 -21.140 -7.023 7.355 44 HB2 ASP 8 2HB ASP 8 -20.966 -5.423 9.320 45 HB3 ASP 8 1HB ASP 8 -19.249 -5.803 9.369 46 H LEU 9 H LEU 9 -19.333 -6.632 5.901 47 HA LEU 9 HA LEU 9 -17.363 -8.810 6.094 48 HB2 LEU 9 2HB LEU 9 -18.288 -7.278 3.659 49 HB3 LEU 9 1HB LEU 9 -17.218 -8.669 3.660 50 HG LEU 9 HG LEU 9 -20.124 -8.674 4.499 51 HD11 LEU 9 1HD1 LEU 9 -19.860 -8.419 2.099 52 HD12 LEU 9 2HD1 LEU 9 -20.488 -10.016 2.493 53 HD13 LEU 9 3HD1 LEU 9 -18.791 -9.821 2.051 54 HD21 LEU 9 3HD2 LEU 9 -18.149 -10.954 4.317 55 HD22 LEU 9 1HD2 LEU 9 -19.882 -11.120 4.605 56 HD23 LEU 9 2HD2 LEU 9 -18.867 -10.300 5.790 57 H GLU 10 H GLU 10 -15.214 -8.467 6.011 58 HA GLU 10 HA GLU 10 -14.105 -5.888 6.442 59 HB2 GLU 10 2HB GLU 10 -12.615 -8.391 5.583 60 HB3 GLU 10 1HB GLU 10 -11.920 -6.953 6.316 61 HG2 GLU 10 2HG GLU 10 -11.993 -8.600 7.996 62 HG3 GLU 10 1HG GLU 10 -13.268 -7.445 8.366 63 HA PRO 11 HA PRO 11 -13.523 -4.421 2.300 64 HB2 PRO 11 2HB PRO 11 -11.349 -2.826 2.572 65 HB3 PRO 11 1HB PRO 11 -12.923 -2.415 3.262 66 HG2 PRO 11 2HG PRO 11 -10.532 -3.640 4.597 67 HG3 PRO 11 1HG PRO 11 -11.590 -2.338 5.175 68 HD2 PRO 11 2HD PRO 11 -11.840 -4.912 6.011 69 HD3 PRO 11 1HD PRO 11 -13.225 -3.812 5.878 70 H LYS 12 H LYS 12 -12.307 -4.658 0.405 71 HA LYS 12 HA LYS 12 -10.285 -6.764 0.468 72 HB2 LYS 12 2HB LYS 12 -12.313 -6.724 -1.101 73 HB3 LYS 12 1HB LYS 12 -11.481 -5.455 -1.983 74 HG2 LYS 12 2HG LYS 12 -10.189 -8.120 -1.479 75 HG3 LYS 12 1HG LYS 12 -11.296 -7.873 -2.827 76 HD2 LYS 12 2HD LYS 12 -9.822 -6.039 -3.639 77 HD3 LYS 12 1HD LYS 12 -8.695 -6.406 -2.332 78 HE2 LYS 12 2HE LYS 12 -8.333 -8.632 -3.213 79 HE3 LYS 12 1HE LYS 12 -9.558 -8.378 -4.453 80 HZ1 LYS 12 3HZ LYS 12 -7.334 -8.118 -5.341 81 HZ2 LYS 12 1HZ LYS 12 -6.991 -6.898 -4.224 82 HZ3 LYS 12 2HZ LYS 12 -8.163 -6.645 -5.412 83 H LEU 13 H LEU 13 -8.293 -6.023 0.898 84 HA LEU 13 HA LEU 13 -7.388 -3.456 -0.187 85 HB2 LEU 13 2HB LEU 13 -7.028 -3.890 2.190 86 HB3 LEU 13 1HB LEU 13 -6.121 -5.339 1.808 87 HG LEU 13 HG LEU 13 -4.365 -3.963 0.741 88 HD11 LEU 13 1HD1 LEU 13 -6.006 -1.612 1.693 89 HD12 LEU 13 2HD1 LEU 13 -5.715 -2.075 0.016 90 HD13 LEU 13 3HD1 LEU 13 -4.375 -1.526 1.022 91 HD21 LEU 13 3HD2 LEU 13 -5.029 -3.106 3.562 92 HD22 LEU 13 1HD2 LEU 13 -3.448 -2.998 2.786 93 HD23 LEU 13 2HD2 LEU 13 -4.168 -4.576 3.102 94 H THR 14 H THR 14 -6.255 -3.383 -2.027 95 HA THR 14 HA THR 14 -4.956 -5.830 -3.028 96 HB THR 14 HB THR 14 -5.692 -3.307 -4.546 97 HG1 THR 14 HG1 THR 14 -7.587 -4.230 -4.623 98 HG21 THR 14 3HG2 THR 14 -4.664 -5.972 -5.556 99 HG22 THR 14 1HG2 THR 14 -3.760 -4.459 -5.536 100 HG23 THR 14 2HG2 THR 14 -5.184 -4.620 -6.563 101 H VAL 15 H VAL 15 -2.872 -5.961 -2.529 102 HA VAL 15 HA VAL 15 -1.116 -3.628 -2.954 103 HB VAL 15 HB VAL 15 -0.984 -5.493 -0.561 104 HG11 VAL 15 1HG1 VAL 15 0.839 -3.211 -1.345 105 HG12 VAL 15 2HG1 VAL 15 1.251 -4.925 -1.323 106 HG13 VAL 15 3HG1 VAL 15 0.898 -4.087 0.186 107 HG21 VAL 15 3HG2 VAL 15 -2.741 -3.805 -0.348 108 HG22 VAL 15 1HG2 VAL 15 -1.572 -2.532 -0.694 109 HG23 VAL 15 2HG2 VAL 15 -1.421 -3.490 0.778 110 HA PRO 16 HA PRO 16 1.040 -6.824 -5.270 111 HB2 PRO 16 2HB PRO 16 3.118 -5.322 -6.150 112 HB3 PRO 16 1HB PRO 16 1.491 -5.175 -6.826 113 HG2 PRO 16 2HG PRO 16 2.868 -3.447 -4.805 114 HG3 PRO 16 1HG PRO 16 1.848 -2.972 -6.175 115 HD2 PRO 16 2HD PRO 16 0.949 -3.084 -3.593 116 HD3 PRO 16 1HD PRO 16 -0.098 -3.323 -5.004 117 H VAL 17 H VAL 17 2.750 -8.233 -4.887 118 HA VAL 17 HA VAL 17 3.859 -8.266 -2.291 119 HB VAL 17 HB VAL 17 3.427 -10.315 -3.587 120 HG11 VAL 17 1HG1 VAL 17 4.145 -9.550 -5.787 121 HG12 VAL 17 2HG1 VAL 17 4.976 -11.039 -5.340 122 HG13 VAL 17 3HG1 VAL 17 5.819 -9.493 -5.237 123 HG21 VAL 17 3HG2 VAL 17 5.475 -11.533 -2.964 124 HG22 VAL 17 1HG2 VAL 17 4.954 -10.427 -1.691 125 HG23 VAL 17 2HG2 VAL 17 6.313 -9.996 -2.734 126 H GLY 18 H GLY 18 5.153 -7.097 -5.353 127 HA2 GLY 18 2HA GLY 18 7.281 -5.718 -3.970 128 HA3 GLY 18 1HA GLY 18 7.853 -7.039 -4.976 129 H ALA 19 H ALA 19 8.274 -4.116 -5.159 130 HA ALA 19 HA ALA 19 7.506 -3.792 -7.981 131 HB1 ALA 19 3HB ALA 19 7.307 -1.601 -5.905 132 HB2 ALA 19 1HB ALA 19 5.946 -2.452 -6.636 133 HB3 ALA 19 2HB ALA 19 6.984 -1.434 -7.632 134 H THR 20 H THR 20 9.071 -2.824 -9.277 135 HA THR 20 HA THR 20 11.673 -2.341 -7.938 136 HB THR 20 HB THR 20 11.184 -3.564 -10.668 137 HG1 THR 20 HG1 THR 20 12.607 -5.153 -9.113 138 HG21 THR 20 3HG2 THR 20 13.615 -3.911 -10.733 139 HG22 THR 20 1HG2 THR 20 13.785 -3.040 -9.209 140 HG23 THR 20 2HG2 THR 20 13.221 -2.194 -10.650 141 H ILE 21 H ILE 21 12.485 -0.366 -8.153 142 HA ILE 21 HA ILE 21 12.005 1.157 -10.639 143 HB ILE 21 HB ILE 21 11.977 3.267 -9.336 144 HG12 ILE 21 2HG1 ILE 21 11.816 1.447 -6.912 145 HG13 ILE 21 1HG1 ILE 21 13.191 2.455 -7.346 146 HG21 ILE 21 1HG2 ILE 21 9.696 3.069 -8.461 147 HG22 ILE 21 2HG2 ILE 21 9.821 1.310 -8.527 148 HG23 ILE 21 3HG2 ILE 21 9.867 2.255 -10.017 149 HD11 ILE 21 3HD1 ILE 21 11.919 3.494 -5.589 150 HD12 ILE 21 1HD1 ILE 21 10.449 3.413 -6.561 151 HD13 ILE 21 2HD1 ILE 21 11.784 4.451 -7.065 152 H HIS 22 H HIS 22 13.676 3.120 -10.670 153 HA HIS 22 HA HIS 22 16.306 2.111 -9.757 154 HB2 HIS 22 2HB HIS 22 15.583 3.755 -12.188 155 HB3 HIS 22 1HB HIS 22 17.239 3.583 -11.619 156 HD1 HIS 22 HD1 HIS 22 14.428 1.588 -13.154 157 HD2 HIS 22 HD2 HIS 22 18.478 1.214 -12.287 158 HE1 HIS 22 HE1 HIS 22 15.189 -0.473 -14.363 159 HE2 HIS 22 HE2 HIS 22 17.679 -0.526 -14.027 160 H VAL 23 H VAL 23 17.965 3.867 -9.410 161 HA VAL 23 HA VAL 23 17.117 5.766 -7.504 162 HB VAL 23 HB VAL 23 19.698 5.721 -9.100 163 HG11 VAL 23 1HG1 VAL 23 19.000 7.184 -6.548 164 HG12 VAL 23 2HG1 VAL 23 19.347 7.910 -8.117 165 HG13 VAL 23 3HG1 VAL 23 20.620 7.065 -7.237 166 HG21 VAL 23 3HG2 VAL 23 19.332 3.651 -7.835 167 HG22 VAL 23 1HG2 VAL 23 19.085 4.589 -6.363 168 HG23 VAL 23 2HG2 VAL 23 20.661 4.588 -7.154 169 H GLY 24 H GLY 24 16.051 7.615 -7.838 170 HA2 GLY 24 2HA GLY 24 15.778 9.781 -8.739 171 HA3 GLY 24 1HA GLY 24 16.674 9.288 -10.167 172 H ASP 25 H ASP 25 14.393 6.951 -9.374 173 HA ASP 25 HA ASP 25 12.606 7.850 -11.509 174 HB2 ASP 25 2HB ASP 25 12.853 5.214 -10.040 175 HB3 ASP 25 1HB ASP 25 11.634 5.539 -11.269 176 H SER 26 H SER 26 10.227 7.439 -11.187 177 HA SER 26 HA SER 26 9.385 8.668 -8.666 178 HB2 SER 26 2HB SER 26 7.806 8.166 -11.210 179 HB3 SER 26 1HB SER 26 7.242 9.079 -9.810 180 HG SER 26 HG SER 26 8.746 9.900 -11.883 181 H PHE 27 H PHE 27 7.732 7.818 -7.350 182 HA PHE 27 HA PHE 27 6.614 5.196 -7.952 183 HB2 PHE 27 2HB PHE 27 8.787 4.685 -6.858 184 HB3 PHE 27 1HB PHE 27 8.289 5.630 -5.461 185 HD1 PHE 27 HD2 PHE 27 7.499 2.600 -7.446 186 HD2 PHE 27 HD1 PHE 27 6.946 4.673 -3.761 187 HE1 PHE 27 HE2 PHE 27 6.463 0.593 -6.474 188 HE2 PHE 27 HE1 PHE 27 5.904 2.667 -2.791 189 HZ PHE 27 HZ PHE 27 5.663 0.624 -4.147 190 H VAL 28 H VAL 28 4.500 5.407 -7.516 191 HA VAL 28 HA VAL 28 3.680 7.147 -5.265 192 HB VAL 28 HB VAL 28 2.061 6.578 -7.761 193 HG11 VAL 28 1HG1 VAL 28 1.644 8.576 -5.529 194 HG12 VAL 28 2HG1 VAL 28 0.701 7.109 -5.799 195 HG13 VAL 28 3HG1 VAL 28 0.645 8.424 -6.974 196 HG21 VAL 28 3HG2 VAL 28 3.679 9.034 -7.057 197 HG22 VAL 28 1HG2 VAL 28 2.593 8.882 -8.440 198 HG23 VAL 28 2HG2 VAL 28 4.040 7.880 -8.341 199 HA PRO 29 HA PRO 29 2.400 2.918 -3.972 200 HB2 PRO 29 2HB PRO 29 2.088 3.616 -1.328 201 HB3 PRO 29 1HB PRO 29 3.622 3.114 -2.047 202 HG2 PRO 29 2HG PRO 29 2.597 5.880 -1.510 203 HG3 PRO 29 1HG PRO 29 4.219 5.215 -1.231 204 HD2 PRO 29 2HD PRO 29 3.689 6.758 -3.364 205 HD3 PRO 29 1HD PRO 29 4.809 5.384 -3.479 206 H MET 30 H MET 30 0.850 6.012 -3.259 207 HA MET 30 HA MET 30 -1.650 4.828 -2.442 208 HB2 MET 30 2HB MET 30 -0.854 7.676 -3.053 209 HB3 MET 30 1HB MET 30 -2.455 7.216 -2.496 210 HG2 MET 30 2HG MET 30 -0.124 6.344 -0.870 211 HG3 MET 30 1HG MET 30 -0.562 8.050 -0.840 212 HE1 MET 30 3HE MET 30 -3.393 4.644 0.534 213 HE2 MET 30 1HE MET 30 -1.751 4.373 -0.045 214 HE3 MET 30 2HE MET 30 -3.006 4.900 -1.167 215 H ALA 31 H ALA 31 -0.278 5.142 -5.441 216 HA ALA 31 HA ALA 31 -2.874 5.430 -6.811 217 HB1 ALA 31 3HB ALA 31 -1.576 5.729 -8.865 218 HB2 ALA 31 1HB ALA 31 -0.079 5.466 -7.965 219 HB3 ALA 31 2HB ALA 31 -1.077 6.881 -7.626 220 H GLU 32 H GLU 32 -0.268 3.180 -6.186 221 HA GLU 32 HA GLU 32 -1.335 1.198 -8.040 222 HB2 GLU 32 2HB GLU 32 1.037 1.016 -6.167 223 HB3 GLU 32 1HB GLU 32 0.641 -0.115 -7.457 224 HG2 GLU 32 2HG GLU 32 0.959 1.668 -9.111 225 HG3 GLU 32 1HG GLU 32 1.369 2.788 -7.814 226 H VAL 33 H VAL 33 -1.301 1.850 -4.604 227 HA VAL 33 HA VAL 33 -2.522 -0.755 -4.007 228 HB VAL 33 HB VAL 33 -1.526 1.432 -2.163 229 HG11 VAL 33 1HG1 VAL 33 -3.423 0.332 -1.124 230 HG12 VAL 33 2HG1 VAL 33 -1.933 -0.180 -0.332 231 HG13 VAL 33 3HG1 VAL 33 -2.735 -1.253 -1.478 232 HG21 VAL 33 3HG2 VAL 33 0.190 -0.237 -1.556 233 HG22 VAL 33 1HG2 VAL 33 0.264 0.205 -3.263 234 HG23 VAL 33 2HG2 VAL 33 -0.459 -1.330 -2.779 235 H LEU 34 H LEU 34 -4.651 -0.977 -3.781 236 HA LEU 34 HA LEU 34 -6.311 1.416 -3.251 237 HB2 LEU 34 2HB LEU 34 -6.809 -0.811 -5.230 238 HB3 LEU 34 1HB LEU 34 -8.082 0.254 -4.676 239 HG LEU 34 HG LEU 34 -6.650 2.183 -5.574 240 HD11 LEU 34 1HD1 LEU 34 -5.071 1.631 -7.341 241 HD12 LEU 34 2HD1 LEU 34 -5.284 -0.089 -7.014 242 HD13 LEU 34 3HD1 LEU 34 -4.550 0.957 -5.799 243 HD21 LEU 34 3HD2 LEU 34 -7.813 0.163 -7.493 244 HD22 LEU 34 1HD2 LEU 34 -7.477 1.855 -7.863 245 HD23 LEU 34 2HD2 LEU 34 -8.694 1.441 -6.655 246 H ALA 35 H ALA 35 -8.326 1.043 -2.150 247 HA ALA 35 HA ALA 35 -8.677 -1.626 -0.945 248 HB1 ALA 35 3HB ALA 35 -9.078 -0.659 1.260 249 HB2 ALA 35 1HB ALA 35 -8.714 0.949 0.630 250 HB3 ALA 35 2HB ALA 35 -7.452 -0.281 0.690 251 H ILE 36 H ILE 36 -10.706 -2.314 -1.215 252 HA ILE 36 HA ILE 36 -12.875 -0.325 -1.491 253 HB ILE 36 HB ILE 36 -12.520 -2.813 -3.187 254 HG12 ILE 36 2HG1 ILE 36 -10.999 -0.992 -3.857 255 HG13 ILE 36 1HG1 ILE 36 -12.240 -1.264 -5.076 256 HG21 ILE 36 1HG2 ILE 36 -14.865 -2.413 -2.725 257 HG22 ILE 36 2HG2 ILE 36 -14.511 -2.015 -4.406 258 HG23 ILE 36 3HG2 ILE 36 -14.704 -0.726 -3.217 259 HD11 ILE 36 3HD1 ILE 36 -12.178 0.962 -3.048 260 HD12 ILE 36 1HD1 ILE 36 -13.473 0.684 -4.214 261 HD13 ILE 36 2HD1 ILE 36 -11.854 1.095 -4.776 262 H ASP 37 H ASP 37 -14.312 -0.633 0.085 263 HA ASP 37 HA ASP 37 -14.756 -3.301 1.211 264 HB2 ASP 37 2HB ASP 37 -14.398 -1.396 2.748 265 HB3 ASP 37 1HB ASP 37 -15.832 -0.608 2.096 266 H LYS 38 H LYS 38 -16.922 -4.173 1.405 267 HA LYS 38 HA LYS 38 -18.211 -3.948 -1.131 268 HB2 LYS 38 2HB LYS 38 -17.894 -6.101 0.025 269 HB3 LYS 38 1HB LYS 38 -19.040 -5.598 1.261 270 HG2 LYS 38 2HG LYS 38 -20.860 -5.729 -0.191 271 HG3 LYS 38 1HG LYS 38 -19.845 -5.662 -1.631 272 HD2 LYS 38 2HD LYS 38 -19.917 -7.970 0.323 273 HD3 LYS 38 1HD LYS 38 -20.799 -7.917 -1.206 274 HE2 LYS 38 2HE LYS 38 -18.676 -7.713 -2.419 275 HE3 LYS 38 1HE LYS 38 -17.796 -7.757 -0.891 276 HZ1 LYS 38 3HZ LYS 38 -17.824 -9.907 -2.015 277 HZ2 LYS 38 1HZ LYS 38 -19.513 -9.946 -1.927 278 HZ3 LYS 38 2HZ LYS 38 -18.590 -9.982 -0.511 279 H GLU 39 H GLU 39 -19.282 -3.081 2.192 280 HA GLU 39 HA GLU 39 -21.783 -2.056 1.112 281 HB2 GLU 39 2HB GLU 39 -21.122 -1.252 3.872 282 HB3 GLU 39 1HB GLU 39 -22.595 -1.942 3.217 283 HG2 GLU 39 2HG GLU 39 -21.879 -3.562 4.689 284 HG3 GLU 39 1HG GLU 39 -21.259 -4.153 3.145 285 H ASP 40 H ASP 40 -18.808 -0.687 2.529 286 HA ASP 40 HA ASP 40 -19.780 2.003 2.385 287 HB2 ASP 40 2HB ASP 40 -18.092 1.198 4.039 288 HB3 ASP 40 1HB ASP 40 -16.923 1.076 2.725 289 H GLY 41 H GLY 41 -17.409 0.168 0.434 290 HA2 GLY 41 2HA GLY 41 -17.315 0.568 -1.971 291 HA3 GLY 41 1HA GLY 41 -17.654 2.262 -1.651 292 H ASP 42 H ASP 42 -15.924 3.574 -1.818 293 HA ASP 42 HA ASP 42 -13.280 2.462 -2.044 294 HB2 ASP 42 2HB ASP 42 -13.927 4.319 -3.480 295 HB3 ASP 42 1HB ASP 42 -14.225 5.336 -2.074 296 H LEU 43 H LEU 43 -12.079 1.964 -0.339 297 HA LEU 43 HA LEU 43 -11.994 3.839 1.946 298 HB2 LEU 43 2HB LEU 43 -11.428 0.871 1.874 299 HB3 LEU 43 1HB LEU 43 -11.044 1.897 3.243 300 HG LEU 43 HG LEU 43 -13.816 1.324 2.171 301 HD11 LEU 43 1HD1 LEU 43 -14.153 0.149 4.270 302 HD12 LEU 43 2HD1 LEU 43 -12.495 0.512 4.763 303 HD13 LEU 43 3HD1 LEU 43 -12.797 -0.548 3.385 304 HD21 LEU 43 3HD2 LEU 43 -12.989 2.980 4.561 305 HD22 LEU 43 1HD2 LEU 43 -14.641 2.595 4.073 306 HD23 LEU 43 2HD2 LEU 43 -13.635 3.614 3.045 307 H THR 44 H THR 44 -10.473 3.513 -0.759 308 HA THR 44 HA THR 44 -7.791 2.886 -0.259 309 HB THR 44 HB THR 44 -8.804 4.942 -2.246 310 HG1 THR 44 HG1 THR 44 -9.704 3.259 -3.153 311 HG21 THR 44 3HG2 THR 44 -6.285 3.262 -2.238 312 HG22 THR 44 1HG2 THR 44 -6.368 4.999 -1.940 313 HG23 THR 44 2HG2 THR 44 -6.790 4.356 -3.527 314 H SER 45 H SER 45 -9.565 5.891 0.246 315 HA SER 45 HA SER 45 -7.297 7.496 0.888 316 HB2 SER 45 2HB SER 45 -8.938 9.089 1.826 317 HB3 SER 45 1HB SER 45 -9.417 8.526 0.227 318 HG SER 45 HG SER 45 -11.235 8.186 1.267 319 H LYS 46 H LYS 46 -8.953 5.065 2.632 320 HA LYS 46 HA LYS 46 -8.174 6.084 5.257 321 HB2 LYS 46 2HB LYS 46 -9.594 3.510 4.535 322 HB3 LYS 46 1HB LYS 46 -9.420 4.185 6.150 323 HG2 LYS 46 2HG LYS 46 -10.945 5.441 3.872 324 HG3 LYS 46 1HG LYS 46 -11.650 4.581 5.243 325 HD2 LYS 46 2HD LYS 46 -10.827 6.255 6.777 326 HD3 LYS 46 1HD LYS 46 -9.948 7.069 5.480 327 HE2 LYS 46 2HE LYS 46 -12.951 6.755 5.622 328 HE3 LYS 46 1HE LYS 46 -12.058 8.210 6.063 329 HZ1 LYS 46 3HZ LYS 46 -12.999 8.257 3.795 330 HZ2 LYS 46 1HZ LYS 46 -11.983 6.976 3.366 331 HZ3 LYS 46 2HZ LYS 46 -11.322 8.464 3.823 332 H ILE 47 H ILE 47 -6.513 4.586 2.907 333 HA ILE 47 HA ILE 47 -5.271 2.435 4.354 334 HB ILE 47 HB ILE 47 -4.386 3.807 1.803 335 HG12 ILE 47 2HG1 ILE 47 -5.898 1.208 2.221 336 HG13 ILE 47 1HG1 ILE 47 -6.588 2.708 1.609 337 HG21 ILE 47 1HG2 ILE 47 -2.999 1.800 1.440 338 HG22 ILE 47 2HG2 ILE 47 -3.449 1.216 3.043 339 HG23 ILE 47 3HG2 ILE 47 -2.512 2.700 2.875 340 HD11 ILE 47 3HD1 ILE 47 -5.090 2.579 -0.335 341 HD12 ILE 47 1HD1 ILE 47 -6.157 1.179 -0.205 342 HD13 ILE 47 2HD1 ILE 47 -4.464 1.045 0.272 343 H LYS 48 H LYS 48 -3.709 2.603 5.825 344 HA LYS 48 HA LYS 48 -2.068 5.013 5.987 345 HB2 LYS 48 2HB LYS 48 -2.435 2.629 7.795 346 HB3 LYS 48 1HB LYS 48 -1.107 3.760 8.028 347 HG2 LYS 48 2HG LYS 48 -2.660 5.584 8.342 348 HG3 LYS 48 1HG LYS 48 -4.021 4.517 8.001 349 HD2 LYS 48 2HD LYS 48 -3.552 3.216 9.992 350 HD3 LYS 48 1HD LYS 48 -2.083 4.148 10.292 351 HE2 LYS 48 2HE LYS 48 -3.872 4.898 11.757 352 HE3 LYS 48 1HE LYS 48 -3.441 6.170 10.618 353 HZ1 LYS 48 3HZ LYS 48 -5.838 5.932 10.899 354 HZ2 LYS 48 1HZ LYS 48 -5.761 4.342 10.327 355 HZ3 LYS 48 2HZ LYS 48 -5.369 5.632 9.306 356 H VAL 49 H VAL 49 -0.154 5.149 5.087 357 HA VAL 49 HA VAL 49 1.148 2.733 4.039 358 HB VAL 49 HB VAL 49 1.854 5.642 3.546 359 HG11 VAL 49 1HG1 VAL 49 2.787 3.133 2.132 360 HG12 VAL 49 2HG1 VAL 49 3.753 4.121 3.228 361 HG13 VAL 49 3HG1 VAL 49 3.208 4.788 1.690 362 HG21 VAL 49 3HG2 VAL 49 -0.351 5.142 2.658 363 HG22 VAL 49 1HG2 VAL 49 0.271 3.704 1.848 364 HG23 VAL 49 2HG2 VAL 49 0.803 5.306 1.334 365 H ASP 50 H ASP 50 2.448 1.765 5.495 366 HA ASP 50 HA ASP 50 4.032 3.402 7.352 367 HB2 ASP 50 2HB ASP 50 2.651 1.650 8.347 368 HB3 ASP 50 1HB ASP 50 3.430 0.433 7.341 369 H GLY 51 H GLY 51 6.217 3.491 7.293 370 HA2 GLY 51 2HA GLY 51 8.349 2.342 6.791 371 HA3 GLY 51 1HA GLY 51 7.620 1.820 5.281 372 H GLU 52 H GLU 52 9.701 2.832 4.498 373 HA GLU 52 HA GLU 52 9.112 5.470 3.470 374 HB2 GLU 52 2HB GLU 52 10.148 5.951 5.685 375 HB3 GLU 52 1HB GLU 52 11.592 5.092 5.168 376 HG2 GLU 52 2HG GLU 52 11.898 7.490 4.968 377 HG3 GLU 52 1HG GLU 52 11.933 6.722 3.381 378 H VAL 53 H VAL 53 10.062 5.843 1.519 379 HA VAL 53 HA VAL 53 12.161 3.964 0.608 380 HB VAL 53 HB VAL 53 9.848 4.997 -1.063 381 HG11 VAL 53 1HG1 VAL 53 12.078 3.091 -1.807 382 HG12 VAL 53 2HG1 VAL 53 11.899 4.750 -2.381 383 HG13 VAL 53 3HG1 VAL 53 10.708 3.528 -2.829 384 HG21 VAL 53 3HG2 VAL 53 10.413 2.212 -0.033 385 HG22 VAL 53 1HG2 VAL 53 9.116 2.649 -1.146 386 HG23 VAL 53 2HG2 VAL 53 9.114 3.279 0.500 387 H ASP 54 H ASP 54 13.974 5.003 -0.001 388 HA ASP 54 HA ASP 54 13.855 7.852 -0.644 389 HB2 ASP 54 2HB ASP 54 15.553 7.163 0.965 390 HB3 ASP 54 1HB ASP 54 16.236 6.035 -0.204 391 H THR 55 H THR 55 14.496 8.741 -2.559 392 HA THR 55 HA THR 55 14.557 6.910 -4.865 393 HB THR 55 HB THR 55 13.998 8.947 -6.208 394 HG1 THR 55 HG1 THR 55 13.218 10.369 -3.952 395 HG21 THR 55 3HG2 THR 55 12.214 7.448 -5.417 396 HG22 THR 55 1HG2 THR 55 11.670 9.125 -5.454 397 HG23 THR 55 2HG2 THR 55 12.101 8.372 -3.918 398 H THR 56 H THR 56 16.700 8.763 -3.034 399 HA THR 56 HA THR 56 18.441 9.341 -5.342 400 HB THR 56 HB THR 56 19.758 10.773 -3.790 401 HG1 THR 56 HG1 THR 56 17.763 9.910 -1.962 402 HG21 THR 56 3HG2 THR 56 16.816 11.432 -3.983 403 HG22 THR 56 1HG2 THR 56 18.038 11.760 -5.211 404 HG23 THR 56 2HG2 THR 56 18.108 12.588 -3.656 405 H LYS 57 H LYS 57 18.111 6.892 -3.137 406 HA LYS 57 HA LYS 57 20.852 6.038 -3.699 407 HB2 LYS 57 2HB LYS 57 20.094 6.947 -1.130 408 HB3 LYS 57 1HB LYS 57 20.179 5.196 -1.007 409 HG2 LYS 57 2HG LYS 57 22.394 6.985 -2.026 410 HG3 LYS 57 1HG LYS 57 22.297 6.291 -0.406 411 HD2 LYS 57 2HD LYS 57 22.403 4.034 -1.355 412 HD3 LYS 57 1HD LYS 57 22.459 4.711 -2.984 413 HE2 LYS 57 2HE LYS 57 24.529 5.202 -0.835 414 HE3 LYS 57 1HE LYS 57 24.684 4.017 -2.130 415 HZ1 LYS 57 3HZ LYS 57 24.455 6.959 -2.473 416 HZ2 LYS 57 1HZ LYS 57 24.536 5.842 -3.736 417 HZ3 LYS 57 2HZ LYS 57 25.848 6.034 -2.692 418 H ALA 58 H ALA 58 21.054 3.913 -4.154 419 HA ALA 58 HA ALA 58 18.721 2.365 -4.642 420 HB1 ALA 58 3HB ALA 58 20.751 2.231 -6.022 421 HB2 ALA 58 1HB ALA 58 20.239 0.651 -5.430 422 HB3 ALA 58 2HB ALA 58 21.604 1.476 -4.675 423 H GLY 59 H GLY 59 17.957 0.505 -3.668 424 HA2 GLY 59 2HA GLY 59 19.000 -1.107 -1.744 425 HA3 GLY 59 1HA GLY 59 18.442 0.283 -0.822 426 H THR 60 H THR 60 17.374 -2.196 -0.300 427 HA THR 60 HA THR 60 14.739 -2.193 -1.623 428 HB THR 60 HB THR 60 16.055 -4.306 0.107 429 HG1 THR 60 HG1 THR 60 15.185 -4.489 -2.611 430 HG21 THR 60 3HG2 THR 60 14.086 -5.708 -0.420 431 HG22 THR 60 1HG2 THR 60 13.313 -4.312 -1.169 432 HG23 THR 60 2HG2 THR 60 13.658 -4.306 0.560 433 H TYR 61 H TYR 61 13.013 -1.391 -0.626 434 HA TYR 61 HA TYR 61 13.099 -0.950 2.300 435 HB2 TYR 61 2HB TYR 61 11.684 0.822 0.289 436 HB3 TYR 61 1HB TYR 61 11.951 1.143 1.999 437 HD1 TYR 61 HD1 TYR 61 14.184 1.841 2.801 438 HD2 TYR 61 HD2 TYR 61 13.429 1.199 -1.342 439 HE1 TYR 61 HE1 TYR 61 16.256 3.041 2.236 440 HE2 TYR 61 HE2 TYR 61 15.497 2.394 -1.907 441 HH TYR 61 HH TYR 61 17.047 3.926 -1.024 442 H VAL 62 H VAL 62 11.353 -1.670 3.454 443 HA VAL 62 HA VAL 62 9.232 -3.054 1.974 444 HB VAL 62 HB VAL 62 9.859 -3.108 4.938 445 HG11 VAL 62 1HG1 VAL 62 7.981 -4.831 3.306 446 HG12 VAL 62 2HG1 VAL 62 7.512 -3.618 4.496 447 HG13 VAL 62 3HG1 VAL 62 8.371 -5.069 5.012 448 HG21 VAL 62 3HG2 VAL 62 11.665 -4.085 3.621 449 HG22 VAL 62 1HG2 VAL 62 10.513 -5.116 2.771 450 HG23 VAL 62 2HG2 VAL 62 10.792 -5.342 4.499 451 H LEU 63 H LEU 63 7.157 -2.376 1.902 452 HA LEU 63 HA LEU 63 6.320 -0.150 3.665 453 HB2 LEU 63 2HB LEU 63 5.444 -0.741 0.829 454 HB3 LEU 63 1HB LEU 63 4.767 0.517 1.845 455 HG LEU 63 HG LEU 63 7.621 0.402 0.849 456 HD11 LEU 63 1HD1 LEU 63 5.337 2.213 0.064 457 HD12 LEU 63 2HD1 LEU 63 6.008 0.911 -0.917 458 HD13 LEU 63 3HD1 LEU 63 6.996 2.318 -0.529 459 HD21 LEU 63 3HD2 LEU 63 7.502 1.461 3.038 460 HD22 LEU 63 1HD2 LEU 63 6.197 2.512 2.482 461 HD23 LEU 63 2HD2 LEU 63 7.814 2.665 1.791 462 H THR 64 H THR 64 4.630 -0.549 4.959 463 HA THR 64 HA THR 64 2.932 -2.910 4.409 464 HB THR 64 HB THR 64 3.510 -1.587 7.080 465 HG1 THR 64 HG1 THR 64 5.253 -2.815 6.664 466 HG21 THR 64 3HG2 THR 64 1.862 -4.042 6.425 467 HG22 THR 64 1HG2 THR 64 1.241 -2.506 7.027 468 HG23 THR 64 2HG2 THR 64 2.281 -3.500 8.051 469 H TYR 65 H TYR 65 0.907 -2.479 3.800 470 HA TYR 65 HA TYR 65 -0.235 0.177 4.373 471 HB2 TYR 65 2HB TYR 65 -1.123 -1.864 2.318 472 HB3 TYR 65 1HB TYR 65 -1.715 -0.214 2.480 473 HD1 TYR 65 HD1 TYR 65 1.082 -2.313 1.369 474 HD2 TYR 65 HD2 TYR 65 -0.381 1.673 1.680 475 HE1 TYR 65 HE1 TYR 65 2.816 -1.560 -0.196 476 HE2 TYR 65 HE2 TYR 65 1.354 2.435 0.111 477 HH TYR 65 HH TYR 65 3.128 0.355 -1.800 478 H THR 66 H THR 66 -1.716 0.284 5.959 479 HA THR 66 HA THR 66 -3.472 -2.065 6.406 480 HB THR 66 HB THR 66 -2.507 -0.114 8.520 481 HG1 THR 66 HG1 THR 66 -0.811 -1.429 8.266 482 HG21 THR 66 3HG2 THR 66 -3.561 -1.676 10.108 483 HG22 THR 66 1HG2 THR 66 -4.183 -2.621 8.755 484 HG23 THR 66 2HG2 THR 66 -4.743 -0.968 9.008 485 H VAL 67 H VAL 67 -5.591 -1.691 6.097 486 HA VAL 67 HA VAL 67 -6.546 1.110 6.142 487 HB VAL 67 HB VAL 67 -6.451 0.239 3.851 488 HG11 VAL 67 1HG1 VAL 67 -7.893 -1.594 3.125 489 HG12 VAL 67 2HG1 VAL 67 -8.395 -1.868 4.794 490 HG13 VAL 67 3HG1 VAL 67 -6.718 -2.138 4.321 491 HG21 VAL 67 3HG2 VAL 67 -8.182 1.865 4.388 492 HG22 VAL 67 1HG2 VAL 67 -9.279 0.570 4.868 493 HG23 VAL 67 2HG2 VAL 67 -8.769 0.716 3.185 494 H THR 68 H THR 68 -8.640 1.528 6.925 495 HA THR 68 HA THR 68 -9.721 -0.586 8.687 496 HB THR 68 HB THR 68 -9.961 2.421 9.005 497 HG1 THR 68 HG1 THR 68 -7.843 1.274 9.433 498 HG21 THR 68 3HG2 THR 68 -10.804 0.174 10.846 499 HG22 THR 68 1HG2 THR 68 -11.887 1.244 9.953 500 HG23 THR 68 2HG2 THR 68 -10.859 1.895 11.232 501 H ASP 69 H ASP 69 -11.759 -1.247 8.470 502 HA ASP 69 HA ASP 69 -13.454 -0.373 6.340 503 HB2 ASP 69 2HB ASP 69 -13.345 -2.701 7.180 504 HB3 ASP 69 1HB ASP 69 -14.026 -2.178 8.705 505 H SER 70 H SER 70 -15.576 0.550 6.528 506 HA SER 70 HA SER 70 -15.865 2.731 8.268 507 HB2 SER 70 2HB SER 70 -17.095 2.622 6.174 508 HB3 SER 70 1HB SER 70 -17.984 1.206 6.732 509 HG SER 70 HG SER 70 -18.190 3.892 7.578 510 H LYS 71 H LYS 71 -16.778 -0.623 8.653 511 HA LYS 71 HA LYS 71 -18.287 -0.097 11.098 512 HB2 LYS 71 2HB LYS 71 -17.522 -2.776 9.928 513 HB3 LYS 71 1HB LYS 71 -18.757 -2.459 11.139 514 HG2 LYS 71 2HG LYS 71 -18.815 -1.637 8.242 515 HG3 LYS 71 1HG LYS 71 -19.763 -2.910 9.003 516 HD2 LYS 71 2HD LYS 71 -20.718 -1.061 10.502 517 HD3 LYS 71 1HD LYS 71 -20.018 0.068 9.337 518 HE2 LYS 71 2HE LYS 71 -22.134 -2.027 8.851 519 HE3 LYS 71 1HE LYS 71 -22.285 -0.279 8.688 520 HZ1 LYS 71 3HZ LYS 71 -20.687 -0.394 6.836 521 HZ2 LYS 71 1HZ LYS 71 -22.096 -1.279 6.532 522 HZ3 LYS 71 2HZ LYS 71 -20.670 -2.085 6.960 523 H GLY 72 H GLY 72 -15.028 -0.588 10.298 524 HA2 GLY 72 2HA GLY 72 -13.419 -0.268 12.098 525 HA3 GLY 72 1HA GLY 72 -14.421 -1.284 13.112 526 H HIS 73 H HIS 73 -14.377 -2.860 10.195 527 HA HIS 73 HA HIS 73 -12.512 -4.826 11.052 528 HB2 HIS 73 2HB HIS 73 -13.829 -4.363 8.371 529 HB3 HIS 73 1HB HIS 73 -12.771 -5.725 8.699 530 HD1 HIS 73 HD1 HIS 73 -16.189 -5.056 8.457 531 HD2 HIS 73 HD2 HIS 73 -13.875 -7.107 11.235 532 HE1 HIS 73 HE1 HIS 73 -17.749 -6.654 9.591 533 HE2 HIS 73 HE2 HIS 73 -16.293 -8.011 11.110 534 H GLU 74 H GLU 74 -10.406 -4.312 11.233 535 HA GLU 74 HA GLU 74 -9.132 -2.638 9.190 536 HB2 GLU 74 2HB GLU 74 -8.811 -2.069 11.576 537 HB3 GLU 74 1HB GLU 74 -8.051 -3.633 11.838 538 HG2 GLU 74 2HG GLU 74 -6.278 -2.997 10.229 539 HG3 GLU 74 1HG GLU 74 -7.023 -1.403 10.090 540 H VAL 75 H VAL 75 -7.900 -3.488 7.619 541 HA VAL 75 HA VAL 75 -6.721 -6.171 8.011 542 HB VAL 75 HB VAL 75 -7.081 -6.675 5.628 543 HG11 VAL 75 1HG1 VAL 75 -9.523 -7.052 5.728 544 HG12 VAL 75 2HG1 VAL 75 -9.607 -6.001 7.143 545 HG13 VAL 75 3HG1 VAL 75 -8.701 -7.512 7.220 546 HG21 VAL 75 3HG2 VAL 75 -7.160 -4.400 4.745 547 HG22 VAL 75 1HG2 VAL 75 -8.694 -4.120 5.571 548 HG23 VAL 75 2HG2 VAL 75 -8.596 -5.306 4.268 549 H THR 76 H THR 76 -4.802 -6.596 6.620 550 HA THR 76 HA THR 76 -3.366 -4.171 5.801 551 HB THR 76 HB THR 76 -2.757 -4.328 8.121 552 HG1 THR 76 HG1 THR 76 -0.964 -3.745 7.054 553 HG21 THR 76 3HG2 THR 76 -1.686 -6.319 9.079 554 HG22 THR 76 1HG2 THR 76 -1.936 -7.185 7.562 555 HG23 THR 76 2HG2 THR 76 -3.323 -6.679 8.526 556 H ALA 77 H ALA 77 -1.630 -4.481 4.429 557 HA ALA 77 HA ALA 77 -0.772 -7.173 3.700 558 HB1 ALA 77 3HB ALA 77 -2.669 -6.754 2.201 559 HB2 ALA 77 1HB ALA 77 -1.152 -6.822 1.305 560 HB3 ALA 77 2HB ALA 77 -1.905 -5.264 1.646 561 H LYS 78 H LYS 78 1.254 -7.141 2.413 562 HA LYS 78 HA LYS 78 2.739 -4.623 2.894 563 HB2 LYS 78 2HB LYS 78 3.719 -7.465 3.243 564 HB3 LYS 78 1HB LYS 78 4.740 -6.035 3.361 565 HG2 LYS 78 2HG LYS 78 3.334 -5.230 5.235 566 HG3 LYS 78 1HG LYS 78 2.411 -6.731 5.147 567 HD2 LYS 78 2HD LYS 78 4.430 -8.016 5.654 568 HD3 LYS 78 1HD LYS 78 5.378 -6.527 5.700 569 HE2 LYS 78 2HE LYS 78 4.003 -5.730 7.586 570 HE3 LYS 78 1HE LYS 78 3.091 -7.238 7.548 571 HZ1 LYS 78 3HZ LYS 78 4.820 -7.233 9.250 572 HZ2 LYS 78 1HZ LYS 78 6.004 -7.027 8.064 573 HZ3 LYS 78 2HZ LYS 78 5.086 -8.445 8.103 574 H GLN 79 H GLN 79 4.523 -4.135 1.564 575 HA GLN 79 HA GLN 79 4.785 -5.616 -0.965 576 HB2 GLN 79 2HB GLN 79 3.319 -3.698 -1.442 577 HB3 GLN 79 1HB GLN 79 4.501 -2.601 -0.733 578 HG2 GLN 79 2HG GLN 79 6.123 -3.367 -2.498 579 HG3 GLN 79 1HG GLN 79 4.786 -4.225 -3.258 580 HE21 GLN 79 1HE2 GLN 79 4.512 -1.097 -1.685 581 HE22 GLN 79 2HE2 GLN 79 4.206 -0.202 -3.130 582 H THR 80 H THR 80 6.886 -6.116 -1.300 583 HA THR 80 HA THR 80 8.974 -4.605 0.097 584 HB THR 80 HB THR 80 9.144 -7.184 -1.488 585 HG1 THR 80 HG1 THR 80 9.808 -7.310 1.148 586 HG21 THR 80 3HG2 THR 80 11.274 -5.971 -1.599 587 HG22 THR 80 1HG2 THR 80 11.413 -7.404 -0.582 588 HG23 THR 80 2HG2 THR 80 11.278 -5.808 0.158 589 H VAL 81 H VAL 81 9.625 -2.807 -0.947 590 HA VAL 81 HA VAL 81 9.675 -2.754 -3.886 591 HB VAL 81 HB VAL 81 10.049 -0.474 -1.928 592 HG11 VAL 81 1HG1 VAL 81 11.040 -0.006 -4.105 593 HG12 VAL 81 2HG1 VAL 81 9.594 0.975 -3.857 594 HG13 VAL 81 3HG1 VAL 81 9.529 -0.442 -4.906 595 HG21 VAL 81 3HG2 VAL 81 7.740 0.146 -2.451 596 HG22 VAL 81 1HG2 VAL 81 7.823 -1.451 -1.707 597 HG23 VAL 81 2HG2 VAL 81 7.570 -1.299 -3.447 598 H THR 82 H THR 82 11.532 -2.362 -5.083 599 HA THR 82 HA THR 82 14.078 -2.168 -3.589 600 HB THR 82 HB THR 82 13.522 -3.960 -5.961 601 HG1 THR 82 HG1 THR 82 13.201 -5.388 -4.447 602 HG21 THR 82 3HG2 THR 82 15.757 -2.985 -6.174 603 HG22 THR 82 1HG2 THR 82 15.870 -4.690 -5.733 604 HG23 THR 82 2HG2 THR 82 16.130 -3.445 -4.513 605 H VAL 83 H VAL 83 15.217 -0.461 -4.130 606 HA VAL 83 HA VAL 83 14.836 0.880 -6.706 607 HB VAL 83 HB VAL 83 16.477 1.763 -4.312 608 HG11 VAL 83 1HG1 VAL 83 17.230 2.792 -6.385 609 HG12 VAL 83 2HG1 VAL 83 16.417 3.981 -5.367 610 HG13 VAL 83 3HG1 VAL 83 15.580 3.292 -6.758 611 HG21 VAL 83 3HG2 VAL 83 14.133 1.621 -3.695 612 HG22 VAL 83 1HG2 VAL 83 13.673 2.550 -5.121 613 HG23 VAL 83 2HG2 VAL 83 14.613 3.311 -3.840 614 H LYS 84 H LYS 84 16.256 0.643 -8.336 615 HA LYS 84 HA LYS 84 18.741 -0.844 -7.827 616 HB2 LYS 84 2HB LYS 84 17.208 -0.427 -10.406 617 HB3 LYS 84 1HB LYS 84 18.695 -1.352 -10.255 618 HG2 LYS 84 2HG LYS 84 17.552 -2.911 -8.731 619 HG3 LYS 84 1HG LYS 84 16.056 -1.998 -8.945 620 HD2 LYS 84 2HD LYS 84 16.060 -3.954 -10.394 621 HD3 LYS 84 1HD LYS 84 16.123 -2.482 -11.361 622 HE2 LYS 84 2HE LYS 84 18.552 -2.771 -11.623 623 HE3 LYS 84 1HE LYS 84 18.473 -4.252 -10.668 624 HZ1 LYS 84 3HZ LYS 84 16.973 -5.173 -12.367 625 HZ2 LYS 84 1HZ LYS 84 18.494 -4.782 -12.994 626 HZ3 LYS 84 2HZ LYS 84 17.172 -3.774 -13.293 627 H VAL 85 H VAL 85 20.687 -0.251 -8.832 628 HA VAL 85 HA VAL 85 21.204 2.563 -8.905 629 HB VAL 85 HB VAL 85 22.992 0.218 -9.602 630 HG11 VAL 85 1HG1 VAL 85 24.861 1.779 -9.260 631 HG12 VAL 85 2HG1 VAL 85 23.710 3.101 -9.062 632 HG13 VAL 85 3HG1 VAL 85 23.834 2.263 -10.609 633 HG21 VAL 85 3HG2 VAL 85 23.937 0.537 -7.363 634 HG22 VAL 85 1HG2 VAL 85 22.222 0.139 -7.291 635 HG23 VAL 85 2HG2 VAL 85 22.752 1.804 -7.044 636 H ARG 86 H ARG 86 21.747 3.872 -10.651 637 HA ARG 86 HA ARG 86 22.292 2.628 -13.220 638 HB2 ARG 86 2HB ARG 86 20.890 4.285 -14.463 639 HB3 ARG 86 1HB ARG 86 19.990 3.076 -13.568 640 HG2 ARG 86 2HG ARG 86 19.360 4.668 -11.897 641 HG3 ARG 86 1HG ARG 86 20.461 5.881 -12.560 642 HD2 ARG 86 2HD ARG 86 19.150 6.147 -14.517 643 HD3 ARG 86 1HD ARG 86 18.218 4.691 -14.186 644 HE ARG 86 HE ARG 86 17.143 5.914 -12.371 645 HH11 ARG 86 1HH1 ARG 86 18.886 7.826 -14.658 646 HH12 ARG 86 2HH1 ARG 86 17.889 9.216 -14.396 647 HH21 ARG 86 1HH2 ARG 86 15.865 7.671 -12.097 648 HH22 ARG 86 2HH2 ARG 86 16.194 9.126 -12.976 649 H GLU 87 H GLU 87 22.434 5.511 -11.187 650 HA GLU 87 HA GLU 87 24.878 6.289 -12.631 651 HB2 GLU 87 2HB GLU 87 22.577 8.104 -11.885 652 HB3 GLU 87 1HB GLU 87 24.184 8.719 -12.250 653 HG2 GLU 87 2HG GLU 87 22.558 7.047 -14.160 654 HG3 GLU 87 1HG GLU 87 22.549 8.809 -14.141 655 H GLU 88 H GLU 88 26.315 5.671 -11.052 656 HA GLU 88 HA GLU 88 25.938 6.556 -8.293 657 HB2 GLU 88 2HB GLU 88 28.124 4.919 -9.602 658 HB3 GLU 88 1HB GLU 88 28.081 5.316 -7.889 659 HG2 GLU 88 2HG GLU 88 25.909 3.791 -9.313 660 HG3 GLU 88 1HG GLU 88 27.261 3.030 -8.480 661 H VAL 89 H VAL 89 26.544 8.392 -10.634 662 HA VAL 89 HA VAL 89 29.169 9.472 -10.112 663 HB VAL 89 HB VAL 89 28.589 11.182 -11.767 664 HG11 VAL 89 1HG1 VAL 89 29.398 9.030 -12.579 665 HG12 VAL 89 2HG1 VAL 89 28.228 9.714 -13.706 666 HG13 VAL 89 3HG1 VAL 89 27.749 8.407 -12.622 667 HG21 VAL 89 3HG2 VAL 89 25.834 9.931 -11.744 668 HG22 VAL 89 1HG2 VAL 89 26.392 11.151 -12.890 669 HG23 VAL 89 2HG2 VAL 89 26.254 11.548 -11.179 670 H LYS 90 H LYS 90 29.439 11.847 -9.664 671 HA LYS 90 HA LYS 90 27.283 12.983 -8.011 672 HB2 LYS 90 2HB LYS 90 28.928 13.873 -6.412 673 HB3 LYS 90 1HB LYS 90 28.933 12.117 -6.448 674 HG2 LYS 90 2HG LYS 90 30.984 12.087 -7.704 675 HG3 LYS 90 1HG LYS 90 30.941 13.841 -7.895 676 HD2 LYS 90 2HD LYS 90 31.099 14.057 -5.411 677 HD3 LYS 90 1HD LYS 90 31.297 12.307 -5.311 678 HE2 LYS 90 2HE LYS 90 33.133 14.189 -6.806 679 HE3 LYS 90 1HE LYS 90 33.448 13.518 -5.207 680 HZ1 LYS 90 3HZ LYS 90 33.171 11.975 -7.729 681 HZ2 LYS 90 1HZ LYS 90 33.395 11.294 -6.196 682 HZ3 LYS 90 2HZ LYS 90 34.601 12.259 -6.880 683 H ASN 91 H ASN 91 26.577 14.672 -9.153 684 HA ASN 91 HA ASN 91 28.188 16.154 -10.980 685 HB2 ASN 91 2HB ASN 91 25.530 16.981 -9.786 686 HB3 ASN 91 1HB ASN 91 26.252 17.584 -11.272 687 HD21 ASN 91 1HD2 ASN 91 27.160 14.857 -12.028 688 HD22 ASN 91 2HD2 ASN 91 25.739 14.056 -12.584 689 H ASP 92 H ASP 92 29.641 17.710 -10.501 690 HA ASP 92 HA ASP 92 29.950 18.670 -7.826 691 HB2 ASP 92 2HB ASP 92 31.802 18.299 -9.554 692 HB3 ASP 92 1HB ASP 92 31.312 19.836 -10.255 693 H LYS 93 H LYS 93 27.815 19.556 -7.573 694 HA LYS 93 HA LYS 93 27.782 22.381 -7.725 695 HB2 LYS 93 2HB LYS 93 27.209 21.915 -10.090 696 HB3 LYS 93 1HB LYS 93 25.825 20.969 -9.560 697 HG2 LYS 93 2HG LYS 93 24.850 22.983 -8.543 698 HG3 LYS 93 1HG LYS 93 26.227 23.928 -9.110 699 HD2 LYS 93 2HD LYS 93 24.360 22.396 -10.932 700 HD3 LYS 93 1HD LYS 93 24.175 24.105 -10.544 701 HE2 LYS 93 2HE LYS 93 25.279 23.970 -12.650 702 HE3 LYS 93 1HE LYS 93 26.477 24.480 -11.465 703 HZ1 LYS 93 3HZ LYS 93 26.153 21.672 -12.369 704 HZ2 LYS 93 1HZ LYS 93 27.413 22.307 -11.438 705 HZ3 LYS 93 2HZ LYS 93 27.247 22.753 -13.062 706 HA PRO 94 HA PRO 94 25.137 20.609 -4.424 707 HB2 PRO 94 2HB PRO 94 25.775 22.403 -2.514 708 HB3 PRO 94 1HB PRO 94 26.846 21.063 -2.937 709 HG2 PRO 94 2HG PRO 94 26.980 23.936 -3.792 710 HG3 PRO 94 1HG PRO 94 28.291 22.867 -3.257 711 HD2 PRO 94 2HD PRO 94 27.768 23.400 -5.889 712 HD3 PRO 94 1HD PRO 94 28.497 21.880 -5.331 713 H ILE 95 H ILE 95 23.009 21.075 -4.165 714 HA ILE 95 HA ILE 95 21.773 23.363 -5.250 715 HB ILE 95 HB ILE 95 20.737 21.358 -3.229 716 HG12 ILE 95 2HG1 ILE 95 19.318 20.639 -5.204 717 HG13 ILE 95 1HG1 ILE 95 20.281 21.714 -6.208 718 HG21 ILE 95 1HG2 ILE 95 19.217 23.577 -4.605 719 HG22 ILE 95 2HG2 ILE 95 19.537 23.433 -2.876 720 HG23 ILE 95 3HG2 ILE 95 18.483 22.267 -3.678 721 HD11 ILE 95 3HD1 ILE 95 22.269 20.405 -5.721 722 HD12 ILE 95 1HD1 ILE 95 20.992 19.394 -6.396 723 HD13 ILE 95 2HD1 ILE 95 21.330 19.350 -4.665 724 H LEU 96 H LEU 96 22.043 25.381 -4.538 725 HA LEU 96 HA LEU 96 23.125 25.962 -1.977 726 HB2 LEU 96 2HB LEU 96 21.910 27.848 -4.001 727 HB3 LEU 96 1HB LEU 96 22.897 28.317 -2.628 728 HG LEU 96 HG LEU 96 23.799 26.743 -5.046 729 HD11 LEU 96 1HD1 LEU 96 23.557 29.137 -5.430 730 HD12 LEU 96 2HD1 LEU 96 25.254 28.661 -5.441 731 HD13 LEU 96 3HD1 LEU 96 24.576 29.476 -4.031 732 HD21 LEU 96 3HD2 LEU 96 24.880 25.871 -3.031 733 HD22 LEU 96 1HD2 LEU 96 25.380 27.504 -2.584 734 HD23 LEU 96 2HD2 LEU 96 26.027 26.750 -4.043 735 H GLU 97 H GLU 97 22.022 25.793 -0.168 736 HA GLU 97 HA GLU 97 20.421 25.984 1.428 737 HB2 GLU 97 2HB GLU 97 19.955 28.561 -0.088 738 HB3 GLU 97 1HB GLU 97 19.281 28.214 1.499 739 HG2 GLU 97 2HG GLU 97 21.212 29.588 1.790 740 HG3 GLU 97 1HG GLU 97 21.593 27.973 2.379 Start of MODEL 6 1 H1 MET 1 1H MET 1 -32.934 -16.917 21.013 2 H2 MET 1 2H MET 1 -34.576 -16.535 21.144 3 H3 MET 1 3H MET 1 -33.447 -15.743 22.116 4 HA MET 1 HA MET 1 -34.209 -14.334 20.305 5 HB2 MET 1 2HB MET 1 -31.824 -14.304 21.276 6 HB3 MET 1 1HB MET 1 -31.335 -15.113 19.794 7 HG2 MET 1 2HG MET 1 -32.662 -12.412 19.980 8 HG3 MET 1 1HG MET 1 -30.949 -12.710 19.681 9 HE1 MET 1 3HE MET 1 -32.288 -11.363 16.237 10 HE2 MET 1 1HE MET 1 -31.095 -11.132 17.516 11 HE3 MET 1 2HE MET 1 -32.807 -10.868 17.848 12 H GLY 2 H GLY 2 -32.078 -16.875 18.900 13 HA2 GLY 2 2HA GLY 2 -32.524 -18.308 17.132 14 HA3 GLY 2 1HA GLY 2 -34.100 -17.564 16.949 15 H ASN 3 H ASN 3 -33.686 -15.041 16.255 16 HA ASN 3 HA ASN 3 -32.922 -15.282 13.532 17 HB2 ASN 3 2HB ASN 3 -33.542 -12.826 15.186 18 HB3 ASN 3 1HB ASN 3 -33.391 -12.840 13.431 19 HD21 ASN 3 1HD2 ASN 3 -34.694 -15.315 12.956 20 HD22 ASN 3 2HD2 ASN 3 -36.368 -15.100 13.325 21 H GLY 4 H GLY 4 -31.220 -14.343 12.368 22 HA2 GLY 4 2HA GLY 4 -28.745 -14.017 13.886 23 HA3 GLY 4 1HA GLY 4 -28.889 -14.194 12.146 24 H GLU 5 H GLU 5 -27.156 -12.349 13.081 25 HA GLU 5 HA GLU 5 -28.510 -9.739 12.796 26 HB2 GLU 5 2HB GLU 5 -25.816 -10.443 13.986 27 HB3 GLU 5 1HB GLU 5 -26.402 -8.798 13.774 28 HG2 GLU 5 2HG GLU 5 -28.248 -9.227 15.297 29 HG3 GLU 5 1HG GLU 5 -27.745 -10.909 15.465 30 H THR 6 H THR 6 -26.886 -8.031 11.817 31 HA THR 6 HA THR 6 -26.242 -8.983 9.142 32 HB THR 6 HB THR 6 -25.846 -6.579 8.624 33 HG1 THR 6 HG1 THR 6 -25.196 -6.012 10.828 34 HG21 THR 6 3HG2 THR 6 -28.174 -5.834 8.893 35 HG22 THR 6 1HG2 THR 6 -28.460 -7.138 10.044 36 HG23 THR 6 2HG2 THR 6 -28.100 -7.512 8.357 37 H SER 7 H SER 7 -24.288 -9.946 8.912 38 HA SER 7 HA SER 7 -21.951 -9.027 10.377 39 HB2 SER 7 2HB SER 7 -22.239 -11.174 8.251 40 HB3 SER 7 1HB SER 7 -20.762 -10.846 9.158 41 HG SER 7 HG SER 7 -21.855 -12.514 10.163 42 H ASP 8 H ASP 8 -20.369 -7.707 9.635 43 HA ASP 8 HA ASP 8 -20.733 -6.288 7.175 44 HB2 ASP 8 2HB ASP 8 -19.810 -5.164 9.146 45 HB3 ASP 8 1HB ASP 8 -18.425 -6.251 9.141 46 H LEU 9 H LEU 9 -19.635 -6.433 5.271 47 HA LEU 9 HA LEU 9 -17.952 -8.758 4.790 48 HB2 LEU 9 2HB LEU 9 -18.706 -6.498 2.919 49 HB3 LEU 9 1HB LEU 9 -17.985 -8.031 2.461 50 HG LEU 9 HG LEU 9 -20.748 -7.688 3.644 51 HD11 LEU 9 1HD1 LEU 9 -21.560 -8.299 1.422 52 HD12 LEU 9 2HD1 LEU 9 -19.902 -8.326 0.820 53 HD13 LEU 9 3HD1 LEU 9 -20.613 -6.811 1.375 54 HD21 LEU 9 3HD2 LEU 9 -19.359 -10.149 2.572 55 HD22 LEU 9 1HD2 LEU 9 -21.048 -10.059 3.076 56 HD23 LEU 9 2HD2 LEU 9 -19.762 -9.829 4.261 57 H GLU 10 H GLU 10 -15.781 -8.693 5.101 58 HA GLU 10 HA GLU 10 -14.472 -6.288 5.861 59 HB2 GLU 10 2HB GLU 10 -12.439 -7.630 6.007 60 HB3 GLU 10 1HB GLU 10 -13.793 -8.470 6.750 61 HG2 GLU 10 2HG GLU 10 -14.030 -9.823 4.688 62 HG3 GLU 10 1HG GLU 10 -12.594 -9.031 4.044 63 HA PRO 11 HA PRO 11 -13.391 -4.645 1.970 64 HB2 PRO 11 2HB PRO 11 -11.336 -3.019 2.598 65 HB3 PRO 11 1HB PRO 11 -12.976 -2.723 3.185 66 HG2 PRO 11 2HG PRO 11 -10.657 -3.983 4.608 67 HG3 PRO 11 1HG PRO 11 -11.818 -2.782 5.207 68 HD2 PRO 11 2HD PRO 11 -12.007 -5.463 5.741 69 HD3 PRO 11 1HD PRO 11 -13.409 -4.378 5.679 70 H LYS 12 H LYS 12 -12.091 -4.956 0.185 71 HA LYS 12 HA LYS 12 -9.919 -6.880 0.449 72 HB2 LYS 12 2HB LYS 12 -11.815 -6.757 -1.406 73 HB3 LYS 12 1HB LYS 12 -10.692 -5.650 -2.177 74 HG2 LYS 12 2HG LYS 12 -10.085 -8.501 -1.389 75 HG3 LYS 12 1HG LYS 12 -10.459 -7.943 -3.017 76 HD2 LYS 12 2HD LYS 12 -8.433 -6.597 -3.056 77 HD3 LYS 12 1HD LYS 12 -8.086 -7.021 -1.379 78 HE2 LYS 12 2HE LYS 12 -8.218 -8.969 -3.685 79 HE3 LYS 12 1HE LYS 12 -6.737 -8.327 -2.973 80 HZ1 LYS 12 3HZ LYS 12 -8.758 -9.877 -1.448 81 HZ2 LYS 12 1HZ LYS 12 -7.217 -9.416 -0.925 82 HZ3 LYS 12 2HZ LYS 12 -7.385 -10.562 -2.156 83 H LEU 13 H LEU 13 -8.005 -6.043 1.044 84 HA LEU 13 HA LEU 13 -7.145 -3.426 0.054 85 HB2 LEU 13 2HB LEU 13 -6.846 -3.943 2.431 86 HB3 LEU 13 1HB LEU 13 -5.863 -5.335 2.021 87 HG LEU 13 HG LEU 13 -4.146 -3.830 1.056 88 HD11 LEU 13 1HD1 LEU 13 -4.281 -1.417 1.443 89 HD12 LEU 13 2HD1 LEU 13 -5.913 -1.607 2.088 90 HD13 LEU 13 3HD1 LEU 13 -5.584 -1.976 0.394 91 HD21 LEU 13 3HD2 LEU 13 -4.921 -3.150 3.899 92 HD22 LEU 13 1HD2 LEU 13 -3.328 -2.923 3.175 93 HD23 LEU 13 2HD2 LEU 13 -3.975 -4.549 3.392 94 H THR 14 H THR 14 -6.344 -3.479 -1.957 95 HA THR 14 HA THR 14 -4.902 -5.797 -2.970 96 HB THR 14 HB THR 14 -5.590 -3.182 -4.351 97 HG1 THR 14 HG1 THR 14 -7.488 -4.074 -4.589 98 HG21 THR 14 3HG2 THR 14 -5.078 -4.392 -6.437 99 HG22 THR 14 1HG2 THR 14 -4.559 -5.790 -5.493 100 HG23 THR 14 2HG2 THR 14 -3.663 -4.274 -5.394 101 H VAL 15 H VAL 15 -2.804 -5.994 -2.489 102 HA VAL 15 HA VAL 15 -1.014 -3.675 -2.799 103 HB VAL 15 HB VAL 15 -0.968 -5.582 -0.438 104 HG11 VAL 15 1HG1 VAL 15 0.923 -3.326 -1.127 105 HG12 VAL 15 2HG1 VAL 15 1.300 -5.048 -1.141 106 HG13 VAL 15 3HG1 VAL 15 0.929 -4.240 0.381 107 HG21 VAL 15 3HG2 VAL 15 -1.374 -3.569 0.920 108 HG22 VAL 15 1HG2 VAL 15 -2.694 -3.880 -0.209 109 HG23 VAL 15 2HG2 VAL 15 -1.517 -2.613 -0.553 110 HA PRO 16 HA PRO 16 1.248 -6.916 -4.989 111 HB2 PRO 16 2HB PRO 16 3.265 -5.397 -5.935 112 HB3 PRO 16 1HB PRO 16 1.631 -5.292 -6.598 113 HG2 PRO 16 2HG PRO 16 3.009 -3.476 -4.659 114 HG3 PRO 16 1HG PRO 16 1.948 -3.063 -6.017 115 HD2 PRO 16 2HD PRO 16 1.141 -3.155 -3.381 116 HD3 PRO 16 1HD PRO 16 0.051 -3.346 -4.764 117 H VAL 17 H VAL 17 2.734 -8.356 -4.208 118 HA VAL 17 HA VAL 17 3.881 -7.937 -1.658 119 HB VAL 17 HB VAL 17 3.248 -10.167 -2.504 120 HG11 VAL 17 1HG1 VAL 17 4.057 -9.956 -4.802 121 HG12 VAL 17 2HG1 VAL 17 4.719 -11.393 -4.023 122 HG13 VAL 17 3HG1 VAL 17 5.723 -9.956 -4.223 123 HG21 VAL 17 3HG2 VAL 17 5.169 -11.390 -1.574 124 HG22 VAL 17 1HG2 VAL 17 4.734 -9.994 -0.589 125 HG23 VAL 17 2HG2 VAL 17 6.137 -9.918 -1.657 126 H GLY 18 H GLY 18 5.200 -7.467 -4.875 127 HA2 GLY 18 2HA GLY 18 7.622 -6.327 -3.707 128 HA3 GLY 18 1HA GLY 18 7.855 -7.727 -4.739 129 H ALA 19 H ALA 19 8.624 -4.823 -4.943 130 HA ALA 19 HA ALA 19 7.811 -4.467 -7.746 131 HB1 ALA 19 3HB ALA 19 7.703 -2.264 -5.674 132 HB2 ALA 19 1HB ALA 19 6.312 -3.042 -6.430 133 HB3 ALA 19 2HB ALA 19 7.414 -2.070 -7.403 134 H THR 20 H THR 20 9.282 -3.067 -8.962 135 HA THR 20 HA THR 20 11.891 -2.589 -7.674 136 HB THR 20 HB THR 20 11.490 -4.054 -10.296 137 HG1 THR 20 HG1 THR 20 11.412 -5.319 -8.344 138 HG21 THR 20 3HG2 THR 20 13.949 -4.095 -10.472 139 HG22 THR 20 1HG2 THR 20 14.062 -3.037 -9.065 140 HG23 THR 20 2HG2 THR 20 13.319 -2.451 -10.553 141 H ILE 21 H ILE 21 12.704 -0.644 -8.082 142 HA ILE 21 HA ILE 21 11.941 0.782 -10.551 143 HB ILE 21 HB ILE 21 11.807 2.909 -9.324 144 HG12 ILE 21 2HG1 ILE 21 11.991 1.214 -6.811 145 HG13 ILE 21 1HG1 ILE 21 13.258 2.281 -7.409 146 HG21 ILE 21 1HG2 ILE 21 9.919 0.789 -8.289 147 HG22 ILE 21 2HG2 ILE 21 9.743 1.720 -9.777 148 HG23 ILE 21 3HG2 ILE 21 9.636 2.529 -8.214 149 HD11 ILE 21 3HD1 ILE 21 10.527 3.109 -6.455 150 HD12 ILE 21 1HD1 ILE 21 11.744 4.199 -7.124 151 HD13 ILE 21 2HD1 ILE 21 12.058 3.340 -5.614 152 H HIS 22 H HIS 22 13.421 2.898 -10.671 153 HA HIS 22 HA HIS 22 16.173 2.095 -9.959 154 HB2 HIS 22 2HB HIS 22 15.217 3.426 -12.503 155 HB3 HIS 22 1HB HIS 22 16.912 3.237 -12.065 156 HD1 HIS 22 HD1 HIS 22 14.172 1.533 -13.748 157 HD2 HIS 22 HD2 HIS 22 17.718 0.438 -11.875 158 HE1 HIS 22 HE1 HIS 22 14.631 -0.811 -14.507 159 HE2 HIS 22 HE2 HIS 22 16.834 -1.417 -13.457 160 H VAL 23 H VAL 23 17.708 3.783 -9.629 161 HA VAL 23 HA VAL 23 16.835 5.970 -8.104 162 HB VAL 23 HB VAL 23 19.502 5.602 -9.498 163 HG11 VAL 23 1HG1 VAL 23 18.736 7.439 -7.222 164 HG12 VAL 23 2HG1 VAL 23 19.196 7.924 -8.855 165 HG13 VAL 23 3HG1 VAL 23 20.381 7.159 -7.797 166 HG21 VAL 23 3HG2 VAL 23 18.618 4.874 -6.702 167 HG22 VAL 23 1HG2 VAL 23 20.271 4.768 -7.307 168 HG23 VAL 23 2HG2 VAL 23 19.009 3.754 -8.005 169 H GLY 24 H GLY 24 16.174 7.978 -8.620 170 HA2 GLY 24 2HA GLY 24 16.217 9.993 -9.898 171 HA3 GLY 24 1HA GLY 24 16.763 9.073 -11.291 172 H ASP 25 H ASP 25 14.544 7.056 -10.463 173 HA ASP 25 HA ASP 25 12.529 8.132 -12.215 174 HB2 ASP 25 2HB ASP 25 12.774 5.545 -10.674 175 HB3 ASP 25 1HB ASP 25 11.370 5.930 -11.666 176 H SER 26 H SER 26 10.143 7.665 -11.504 177 HA SER 26 HA SER 26 9.674 9.017 -8.923 178 HB2 SER 26 2HB SER 26 7.786 8.658 -11.279 179 HB3 SER 26 1HB SER 26 7.435 9.563 -9.806 180 HG SER 26 HG SER 26 8.108 10.922 -11.522 181 H PHE 27 H PHE 27 8.256 8.129 -7.388 182 HA PHE 27 HA PHE 27 6.947 5.589 -7.982 183 HB2 PHE 27 2HB PHE 27 9.171 4.894 -7.221 184 HB3 PHE 27 1HB PHE 27 8.984 5.846 -5.752 185 HD1 PHE 27 HD2 PHE 27 7.444 3.024 -7.628 186 HD2 PHE 27 HD1 PHE 27 8.076 4.856 -3.836 187 HE1 PHE 27 HE2 PHE 27 6.425 1.077 -6.524 188 HE2 PHE 27 HE1 PHE 27 7.061 2.910 -2.727 189 HZ PHE 27 HZ PHE 27 6.233 1.016 -4.070 190 H VAL 28 H VAL 28 4.923 5.960 -7.376 191 HA VAL 28 HA VAL 28 4.411 7.352 -4.813 192 HB VAL 28 HB VAL 28 2.533 7.006 -7.171 193 HG11 VAL 28 1HG1 VAL 28 1.289 7.057 -5.096 194 HG12 VAL 28 2HG1 VAL 28 1.080 8.595 -5.935 195 HG13 VAL 28 3HG1 VAL 28 2.175 8.485 -4.557 196 HG21 VAL 28 3HG2 VAL 28 2.802 9.419 -7.501 197 HG22 VAL 28 1HG2 VAL 28 4.349 8.585 -7.646 198 HG23 VAL 28 2HG2 VAL 28 3.965 9.479 -6.176 199 HA PRO 29 HA PRO 29 3.534 3.033 -3.632 200 HB2 PRO 29 2HB PRO 29 2.927 3.690 -0.995 201 HB3 PRO 29 1HB PRO 29 4.538 3.305 -1.609 202 HG2 PRO 29 2HG PRO 29 3.280 5.980 -1.135 203 HG3 PRO 29 1HG PRO 29 4.941 5.450 -0.815 204 HD2 PRO 29 2HD PRO 29 4.350 6.962 -2.947 205 HD3 PRO 29 1HD PRO 29 5.572 5.674 -3.048 206 H MET 30 H MET 30 1.410 5.769 -2.677 207 HA MET 30 HA MET 30 -0.818 3.990 -2.226 208 HB2 MET 30 2HB MET 30 -0.638 7.001 -2.258 209 HB3 MET 30 1HB MET 30 -2.126 6.123 -1.938 210 HG2 MET 30 2HG MET 30 -0.576 4.943 -0.123 211 HG3 MET 30 1HG MET 30 0.268 6.488 -0.235 212 HE1 MET 30 3HE MET 30 -4.207 6.096 0.787 213 HE2 MET 30 1HE MET 30 -3.155 4.712 0.497 214 HE3 MET 30 2HE MET 30 -3.540 5.818 -0.823 215 H ALA 31 H ALA 31 0.434 5.433 -5.047 216 HA ALA 31 HA ALA 31 -2.100 5.754 -6.392 217 HB1 ALA 31 3HB ALA 31 -0.193 7.140 -7.028 218 HB2 ALA 31 1HB ALA 31 -0.762 6.193 -8.402 219 HB3 ALA 31 2HB ALA 31 0.698 5.708 -7.538 220 H GLU 32 H GLU 32 0.010 3.137 -5.757 221 HA GLU 32 HA GLU 32 -1.293 1.513 -7.846 222 HB2 GLU 32 2HB GLU 32 1.404 1.095 -6.537 223 HB3 GLU 32 1HB GLU 32 0.678 0.012 -7.717 224 HG2 GLU 32 2HG GLU 32 0.658 1.906 -9.345 225 HG3 GLU 32 1HG GLU 32 1.560 2.858 -8.165 226 H VAL 33 H VAL 33 -1.782 2.126 -4.765 227 HA VAL 33 HA VAL 33 -2.445 -0.680 -4.098 228 HB VAL 33 HB VAL 33 -1.608 1.530 -2.199 229 HG11 VAL 33 1HG1 VAL 33 -3.392 0.200 -1.192 230 HG12 VAL 33 2HG1 VAL 33 -1.851 -0.144 -0.408 231 HG13 VAL 33 3HG1 VAL 33 -2.520 -1.286 -1.573 232 HG21 VAL 33 3HG2 VAL 33 0.262 0.023 -1.664 233 HG22 VAL 33 1HG2 VAL 33 0.269 0.504 -3.361 234 HG23 VAL 33 2HG2 VAL 33 -0.298 -1.101 -2.901 235 H LEU 34 H LEU 34 -4.553 -1.075 -3.828 236 HA LEU 34 HA LEU 34 -6.375 1.217 -3.400 237 HB2 LEU 34 2HB LEU 34 -6.814 -1.241 -5.110 238 HB3 LEU 34 1HB LEU 34 -8.082 -0.108 -4.689 239 HG LEU 34 HG LEU 34 -6.675 1.685 -5.843 240 HD11 LEU 34 1HD1 LEU 34 -5.079 0.933 -7.520 241 HD12 LEU 34 2HD1 LEU 34 -5.264 -0.732 -6.968 242 HD13 LEU 34 3HD1 LEU 34 -4.554 0.478 -5.900 243 HD21 LEU 34 3HD2 LEU 34 -7.485 1.052 -8.067 244 HD22 LEU 34 1HD2 LEU 34 -8.702 0.768 -6.824 245 HD23 LEU 34 2HD2 LEU 34 -7.789 -0.585 -7.491 246 H ALA 35 H ALA 35 -8.364 0.771 -2.299 247 HA ALA 35 HA ALA 35 -8.658 -1.798 -0.934 248 HB1 ALA 35 3HB ALA 35 -8.888 -0.772 1.284 249 HB2 ALA 35 1HB ALA 35 -8.466 0.800 0.603 250 HB3 ALA 35 2HB ALA 35 -7.278 -0.502 0.617 251 H ILE 36 H ILE 36 -10.761 -2.388 -1.008 252 HA ILE 36 HA ILE 36 -12.810 -0.268 -1.266 253 HB ILE 36 HB ILE 36 -12.637 -2.767 -2.972 254 HG12 ILE 36 2HG1 ILE 36 -11.065 -0.968 -3.653 255 HG13 ILE 36 1HG1 ILE 36 -12.310 -1.260 -4.861 256 HG21 ILE 36 1HG2 ILE 36 -14.948 -2.280 -2.447 257 HG22 ILE 36 2HG2 ILE 36 -14.628 -1.867 -4.132 258 HG23 ILE 36 3HG2 ILE 36 -14.734 -0.592 -2.918 259 HD11 ILE 36 3HD1 ILE 36 -12.290 1.000 -2.870 260 HD12 ILE 36 1HD1 ILE 36 -13.517 0.716 -4.106 261 HD13 ILE 36 2HD1 ILE 36 -11.863 1.114 -4.576 262 H ASP 37 H ASP 37 -14.493 -0.509 0.069 263 HA ASP 37 HA ASP 37 -15.279 -3.230 0.926 264 HB2 ASP 37 2HB ASP 37 -14.695 -1.853 2.859 265 HB3 ASP 37 1HB ASP 37 -15.777 -0.573 2.312 266 H LYS 38 H LYS 38 -17.258 -3.932 0.334 267 HA LYS 38 HA LYS 38 -18.667 -2.612 -1.722 268 HB2 LYS 38 2HB LYS 38 -19.732 -4.817 0.060 269 HB3 LYS 38 1HB LYS 38 -20.275 -4.413 -1.564 270 HG2 LYS 38 2HG LYS 38 -18.076 -5.069 -2.452 271 HG3 LYS 38 1HG LYS 38 -17.563 -5.511 -0.824 272 HD2 LYS 38 2HD LYS 38 -18.227 -7.513 -1.965 273 HD3 LYS 38 1HD LYS 38 -19.447 -7.149 -0.745 274 HE2 LYS 38 2HE LYS 38 -20.560 -7.815 -2.766 275 HE3 LYS 38 1HE LYS 38 -20.829 -6.089 -2.523 276 HZ1 LYS 38 3HZ LYS 38 -20.296 -6.485 -4.805 277 HZ2 LYS 38 1HZ LYS 38 -18.896 -7.339 -4.397 278 HZ3 LYS 38 2HZ LYS 38 -18.992 -5.681 -4.099 279 H GLU 39 H GLU 39 -19.079 -2.608 1.746 280 HA GLU 39 HA GLU 39 -21.723 -1.425 1.673 281 HB2 GLU 39 2HB GLU 39 -19.847 -1.978 3.977 282 HB3 GLU 39 1HB GLU 39 -21.532 -1.485 4.132 283 HG2 GLU 39 2HG GLU 39 -22.337 -3.537 3.555 284 HG3 GLU 39 1HG GLU 39 -20.987 -3.890 2.478 285 H ASP 40 H ASP 40 -18.522 -0.316 2.916 286 HA ASP 40 HA ASP 40 -19.499 2.362 3.337 287 HB2 ASP 40 2HB ASP 40 -17.689 1.262 4.710 288 HB3 ASP 40 1HB ASP 40 -16.614 1.440 3.325 289 H GLY 41 H GLY 41 -17.407 0.808 0.918 290 HA2 GLY 41 2HA GLY 41 -17.665 1.675 -1.395 291 HA3 GLY 41 1HA GLY 41 -17.551 3.286 -0.706 292 H ASP 42 H ASP 42 -15.729 4.025 -1.699 293 HA ASP 42 HA ASP 42 -13.366 2.461 -2.041 294 HB2 ASP 42 2HB ASP 42 -13.934 4.340 -3.531 295 HB3 ASP 42 1HB ASP 42 -13.725 5.466 -2.193 296 H LEU 43 H LEU 43 -12.171 1.806 -0.357 297 HA LEU 43 HA LEU 43 -11.739 3.629 1.908 298 HB2 LEU 43 2HB LEU 43 -11.118 0.686 1.609 299 HB3 LEU 43 1HB LEU 43 -10.765 1.641 3.038 300 HG LEU 43 HG LEU 43 -13.500 0.955 1.949 301 HD11 LEU 43 1HD1 LEU 43 -12.386 -0.853 3.153 302 HD12 LEU 43 2HD1 LEU 43 -13.768 -0.235 4.056 303 HD13 LEU 43 3HD1 LEU 43 -12.130 0.215 4.534 304 HD21 LEU 43 3HD2 LEU 43 -12.773 2.694 4.310 305 HD22 LEU 43 1HD2 LEU 43 -14.399 2.153 3.893 306 HD23 LEU 43 2HD2 LEU 43 -13.526 3.234 2.808 307 H THR 44 H THR 44 -10.368 3.327 -0.947 308 HA THR 44 HA THR 44 -7.645 2.787 -0.547 309 HB THR 44 HB THR 44 -8.807 4.761 -2.535 310 HG1 THR 44 HG1 THR 44 -9.806 2.929 -3.092 311 HG21 THR 44 3HG2 THR 44 -6.834 4.179 -3.895 312 HG22 THR 44 1HG2 THR 44 -6.233 3.164 -2.582 313 HG23 THR 44 2HG2 THR 44 -6.370 4.911 -2.357 314 H SER 45 H SER 45 -9.483 5.785 -0.137 315 HA SER 45 HA SER 45 -7.145 7.333 0.598 316 HB2 SER 45 2HB SER 45 -10.085 8.024 0.868 317 HB3 SER 45 1HB SER 45 -8.741 9.146 1.075 318 HG SER 45 HG SER 45 -8.216 8.869 -1.108 319 H LYS 46 H LYS 46 -8.637 4.940 2.204 320 HA LYS 46 HA LYS 46 -8.517 6.203 4.873 321 HB2 LYS 46 2HB LYS 46 -9.595 3.468 4.131 322 HB3 LYS 46 1HB LYS 46 -9.770 4.281 5.678 323 HG2 LYS 46 2HG LYS 46 -10.951 5.298 3.097 324 HG3 LYS 46 1HG LYS 46 -11.812 4.277 4.247 325 HD2 LYS 46 2HD LYS 46 -11.405 6.036 5.989 326 HD3 LYS 46 1HD LYS 46 -10.750 7.066 4.711 327 HE2 LYS 46 2HE LYS 46 -13.091 7.606 5.144 328 HE3 LYS 46 1HE LYS 46 -12.893 6.950 3.521 329 HZ1 LYS 46 3HZ LYS 46 -14.830 6.026 4.657 330 HZ2 LYS 46 1HZ LYS 46 -13.842 5.414 5.886 331 HZ3 LYS 46 2HZ LYS 46 -13.702 4.818 4.310 332 H ILE 47 H ILE 47 -6.398 4.785 2.889 333 HA ILE 47 HA ILE 47 -5.382 2.656 4.578 334 HB ILE 47 HB ILE 47 -4.262 3.785 2.000 335 HG12 ILE 47 2HG1 ILE 47 -5.906 1.272 2.464 336 HG13 ILE 47 1HG1 ILE 47 -6.530 2.769 1.776 337 HG21 ILE 47 1HG2 ILE 47 -2.958 1.694 1.900 338 HG22 ILE 47 2HG2 ILE 47 -3.576 1.242 3.489 339 HG23 ILE 47 3HG2 ILE 47 -2.542 2.661 3.316 340 HD11 ILE 47 3HD1 ILE 47 -5.025 2.538 -0.119 341 HD12 ILE 47 1HD1 ILE 47 -6.052 1.116 0.061 342 HD13 ILE 47 2HD1 ILE 47 -4.367 1.056 0.574 343 H LYS 48 H LYS 48 -4.125 3.127 6.299 344 HA LYS 48 HA LYS 48 -2.338 5.413 6.317 345 HB2 LYS 48 2HB LYS 48 -3.458 4.751 8.399 346 HB3 LYS 48 1HB LYS 48 -2.688 3.169 8.326 347 HG2 LYS 48 2HG LYS 48 -0.486 4.231 8.532 348 HG3 LYS 48 1HG LYS 48 -1.265 5.811 8.618 349 HD2 LYS 48 2HD LYS 48 -2.427 5.104 10.676 350 HD3 LYS 48 1HD LYS 48 -1.591 3.549 10.596 351 HE2 LYS 48 2HE LYS 48 -0.486 5.078 12.162 352 HE3 LYS 48 1HE LYS 48 0.565 4.688 10.800 353 HZ1 LYS 48 3HZ LYS 48 0.000 6.807 9.793 354 HZ2 LYS 48 1HZ LYS 48 0.623 7.047 11.347 355 HZ3 LYS 48 2HZ LYS 48 -1.043 7.173 11.077 356 H VAL 49 H VAL 49 -0.315 5.382 5.567 357 HA VAL 49 HA VAL 49 0.895 2.808 4.832 358 HB VAL 49 HB VAL 49 1.701 5.606 3.993 359 HG11 VAL 49 1HG1 VAL 49 2.560 2.915 2.911 360 HG12 VAL 49 2HG1 VAL 49 3.555 4.018 3.863 361 HG13 VAL 49 3HG1 VAL 49 3.016 4.486 2.252 362 HG21 VAL 49 3HG2 VAL 49 -0.534 5.033 3.178 363 HG22 VAL 49 1HG2 VAL 49 0.093 3.539 2.480 364 HG23 VAL 49 2HG2 VAL 49 0.629 5.099 1.855 365 H ASP 50 H ASP 50 2.846 2.135 5.553 366 HA ASP 50 HA ASP 50 4.412 3.870 7.346 367 HB2 ASP 50 2HB ASP 50 3.214 2.312 8.769 368 HB3 ASP 50 1HB ASP 50 3.711 0.953 7.773 369 H GLY 51 H GLY 51 6.713 3.377 7.385 370 HA2 GLY 51 2HA GLY 51 8.688 2.495 6.434 371 HA3 GLY 51 1HA GLY 51 7.722 1.712 5.188 372 H GLU 52 H GLU 52 9.986 3.016 4.408 373 HA GLU 52 HA GLU 52 8.921 5.297 2.912 374 HB2 GLU 52 2HB GLU 52 9.904 6.296 4.909 375 HB3 GLU 52 1HB GLU 52 11.414 5.441 4.621 376 HG2 GLU 52 2HG GLU 52 11.808 6.715 2.611 377 HG3 GLU 52 1HG GLU 52 10.236 7.497 2.761 378 H VAL 53 H VAL 53 9.826 5.600 0.903 379 HA VAL 53 HA VAL 53 12.080 3.833 0.145 380 HB VAL 53 HB VAL 53 9.744 4.674 -1.598 381 HG11 VAL 53 1HG1 VAL 53 12.125 2.928 -2.259 382 HG12 VAL 53 2HG1 VAL 53 11.804 4.539 -2.896 383 HG13 VAL 53 3HG1 VAL 53 10.732 3.203 -3.305 384 HG21 VAL 53 3HG2 VAL 53 9.203 2.257 -1.627 385 HG22 VAL 53 1HG2 VAL 53 9.092 2.958 -0.013 386 HG23 VAL 53 2HG2 VAL 53 10.489 1.974 -0.452 387 H ASP 54 H ASP 54 13.827 4.822 -0.752 388 HA ASP 54 HA ASP 54 13.635 7.677 -1.397 389 HB2 ASP 54 2HB ASP 54 16.022 5.873 -0.937 390 HB3 ASP 54 1HB ASP 54 16.154 7.553 -1.449 391 H THR 55 H THR 55 13.964 8.492 -3.411 392 HA THR 55 HA THR 55 14.160 6.602 -5.640 393 HB THR 55 HB THR 55 13.606 8.527 -7.083 394 HG1 THR 55 HG1 THR 55 13.400 10.543 -6.267 395 HG21 THR 55 3HG2 THR 55 11.790 7.181 -6.109 396 HG22 THR 55 1HG2 THR 55 11.311 8.868 -6.313 397 HG23 THR 55 2HG2 THR 55 11.745 8.261 -4.715 398 H THR 56 H THR 56 16.025 9.039 -4.014 399 HA THR 56 HA THR 56 18.023 9.212 -6.138 400 HB THR 56 HB THR 56 17.411 11.249 -4.875 401 HG1 THR 56 HG1 THR 56 19.475 11.985 -4.793 402 HG21 THR 56 3HG2 THR 56 18.128 11.545 -2.563 403 HG22 THR 56 1HG2 THR 56 18.746 9.894 -2.521 404 HG23 THR 56 2HG2 THR 56 17.014 10.184 -2.682 405 H LYS 57 H LYS 57 17.421 7.099 -3.641 406 HA LYS 57 HA LYS 57 20.258 6.315 -3.446 407 HB2 LYS 57 2HB LYS 57 19.670 7.450 -1.373 408 HB3 LYS 57 1HB LYS 57 18.243 6.442 -1.185 409 HG2 LYS 57 2HG LYS 57 19.968 5.688 0.317 410 HG3 LYS 57 1HG LYS 57 19.697 4.463 -0.923 411 HD2 LYS 57 2HD LYS 57 21.673 5.285 -2.144 412 HD3 LYS 57 1HD LYS 57 21.946 6.485 -0.882 413 HE2 LYS 57 2HE LYS 57 23.409 4.570 -0.566 414 HE3 LYS 57 1HE LYS 57 22.252 4.682 0.759 415 HZ1 LYS 57 3HZ LYS 57 22.489 2.411 0.005 416 HZ2 LYS 57 1HZ LYS 57 22.057 2.843 -1.572 417 HZ3 LYS 57 2HZ LYS 57 20.924 2.957 -0.317 418 H ALA 58 H ALA 58 20.599 4.255 -4.018 419 HA ALA 58 HA ALA 58 18.418 2.482 -4.615 420 HB1 ALA 58 3HB ALA 58 20.157 0.901 -5.291 421 HB2 ALA 58 1HB ALA 58 21.392 1.948 -4.592 422 HB3 ALA 58 2HB ALA 58 20.447 2.499 -5.976 423 H GLY 59 H GLY 59 17.819 0.571 -3.586 424 HA2 GLY 59 2HA GLY 59 18.973 -0.881 -1.618 425 HA3 GLY 59 1HA GLY 59 18.332 0.491 -0.730 426 H THR 60 H THR 60 17.503 -2.079 -0.166 427 HA THR 60 HA THR 60 14.863 -2.402 -1.424 428 HB THR 60 HB THR 60 16.325 -4.189 0.541 429 HG1 THR 60 HG1 THR 60 17.288 -4.488 -1.394 430 HG21 THR 60 3HG2 THR 60 14.571 -5.848 0.050 431 HG22 THR 60 1HG2 THR 60 13.712 -4.643 -0.910 432 HG23 THR 60 2HG2 THR 60 13.907 -4.410 0.828 433 H TYR 61 H TYR 61 13.021 -1.795 -0.451 434 HA TYR 61 HA TYR 61 13.046 -1.178 2.436 435 HB2 TYR 61 2HB TYR 61 11.771 0.437 0.215 436 HB3 TYR 61 1HB TYR 61 11.447 0.696 1.926 437 HD1 TYR 61 HD1 TYR 61 13.490 1.180 3.431 438 HD2 TYR 61 HD2 TYR 61 13.550 1.583 -0.807 439 HE1 TYR 61 HE1 TYR 61 15.418 2.687 3.608 440 HE2 TYR 61 HE2 TYR 61 15.486 3.090 -0.639 441 HH TYR 61 HH TYR 61 16.417 4.680 1.185 442 H VAL 62 H VAL 62 11.111 -1.516 3.578 443 HA VAL 62 HA VAL 62 9.083 -3.155 2.175 444 HB VAL 62 HB VAL 62 9.822 -3.313 5.109 445 HG11 VAL 62 1HG1 VAL 62 8.464 -5.356 5.111 446 HG12 VAL 62 2HG1 VAL 62 8.052 -5.087 3.417 447 HG13 VAL 62 3HG1 VAL 62 7.506 -3.948 4.648 448 HG21 VAL 62 3HG2 VAL 62 10.581 -5.154 2.837 449 HG22 VAL 62 1HG2 VAL 62 10.862 -5.479 4.548 450 HG23 VAL 62 2HG2 VAL 62 11.673 -4.123 3.763 451 H LEU 63 H LEU 63 7.259 -2.066 1.909 452 HA LEU 63 HA LEU 63 6.471 0.067 3.757 453 HB2 LEU 63 2HB LEU 63 5.282 -0.743 1.095 454 HB3 LEU 63 1HB LEU 63 4.840 0.675 2.028 455 HG LEU 63 HG LEU 63 7.551 0.187 0.773 456 HD11 LEU 63 1HD1 LEU 63 5.322 2.050 -0.055 457 HD12 LEU 63 2HD1 LEU 63 5.841 0.598 -0.912 458 HD13 LEU 63 3HD1 LEU 63 6.930 1.978 -0.779 459 HD21 LEU 63 3HD2 LEU 63 7.739 1.517 2.791 460 HD22 LEU 63 1HD2 LEU 63 6.450 2.588 2.239 461 HD23 LEU 63 2HD2 LEU 63 7.987 2.535 1.373 462 H THR 64 H THR 64 4.569 0.035 4.924 463 HA THR 64 HA THR 64 2.971 -2.452 4.830 464 HB THR 64 HB THR 64 3.457 -0.695 7.254 465 HG1 THR 64 HG1 THR 64 4.707 -2.439 7.985 466 HG21 THR 64 3HG2 THR 64 1.962 -3.315 6.987 467 HG22 THR 64 1HG2 THR 64 1.241 -1.738 7.304 468 HG23 THR 64 2HG2 THR 64 2.299 -2.479 8.504 469 H TYR 65 H TYR 65 0.796 -2.278 4.625 470 HA TYR 65 HA TYR 65 -0.400 0.425 4.647 471 HB2 TYR 65 2HB TYR 65 -1.192 -1.909 2.880 472 HB3 TYR 65 1HB TYR 65 -1.891 -0.294 2.849 473 HD1 TYR 65 HD2 TYR 65 -0.535 1.624 2.002 474 HD2 TYR 65 HD1 TYR 65 0.874 -2.388 1.764 475 HE1 TYR 65 HE2 TYR 65 1.143 2.315 0.341 476 HE2 TYR 65 HE1 TYR 65 2.555 -1.706 0.106 477 HH TYR 65 HH TYR 65 2.806 0.154 -1.586 478 H THR 66 H THR 66 -2.225 0.711 5.830 479 HA THR 66 HA THR 66 -3.614 -1.657 6.922 480 HB THR 66 HB THR 66 -2.897 0.781 8.582 481 HG1 THR 66 HG1 THR 66 -1.655 -1.208 9.625 482 HG21 THR 66 3HG2 THR 66 -4.955 -0.369 9.284 483 HG22 THR 66 1HG2 THR 66 -3.669 -0.579 10.471 484 HG23 THR 66 2HG2 THR 66 -4.074 -1.895 9.370 485 H VAL 67 H VAL 67 -5.782 -1.525 6.661 486 HA VAL 67 HA VAL 67 -7.035 1.139 6.440 487 HB VAL 67 HB VAL 67 -6.740 0.275 4.168 488 HG11 VAL 67 1HG1 VAL 67 -8.402 -2.087 5.068 489 HG12 VAL 67 2HG1 VAL 67 -6.691 -2.120 4.644 490 HG13 VAL 67 3HG1 VAL 67 -7.896 -1.754 3.411 491 HG21 VAL 67 3HG2 VAL 67 -8.699 1.646 4.633 492 HG22 VAL 67 1HG2 VAL 67 -9.621 0.210 5.079 493 HG23 VAL 67 2HG2 VAL 67 -9.074 0.426 3.415 494 H THR 68 H THR 68 -8.955 1.374 7.492 495 HA THR 68 HA THR 68 -10.019 -0.997 8.896 496 HB THR 68 HB THR 68 -10.394 1.922 9.626 497 HG1 THR 68 HG1 THR 68 -8.951 0.255 11.310 498 HG21 THR 68 3HG2 THR 68 -11.058 -0.599 11.168 499 HG22 THR 68 1HG2 THR 68 -12.231 0.474 10.400 500 HG23 THR 68 2HG2 THR 68 -11.255 1.055 11.750 501 H ASP 69 H ASP 69 -12.027 -1.689 8.532 502 HA ASP 69 HA ASP 69 -13.668 -0.577 6.474 503 HB2 ASP 69 2HB ASP 69 -13.426 -3.033 7.152 504 HB3 ASP 69 1HB ASP 69 -14.484 -2.665 8.506 505 H SER 70 H SER 70 -16.040 -0.142 6.844 506 HA SER 70 HA SER 70 -16.416 1.986 8.656 507 HB2 SER 70 2HB SER 70 -17.712 1.819 6.595 508 HB3 SER 70 1HB SER 70 -18.472 0.334 7.164 509 HG SER 70 HG SER 70 -19.852 2.056 7.544 510 H LYS 71 H LYS 71 -17.391 -1.439 8.841 511 HA LYS 71 HA LYS 71 -18.451 -0.926 11.532 512 HB2 LYS 71 2HB LYS 71 -18.965 -3.287 9.719 513 HB3 LYS 71 1HB LYS 71 -19.746 -2.967 11.265 514 HG2 LYS 71 2HG LYS 71 -20.392 -0.691 10.137 515 HG3 LYS 71 1HG LYS 71 -20.094 -1.576 8.642 516 HD2 LYS 71 2HD LYS 71 -21.960 -2.477 10.824 517 HD3 LYS 71 1HD LYS 71 -22.463 -1.589 9.389 518 HE2 LYS 71 2HE LYS 71 -21.143 -4.307 9.411 519 HE3 LYS 71 1HE LYS 71 -22.862 -4.000 9.164 520 HZ1 LYS 71 3HZ LYS 71 -22.294 -2.731 7.172 521 HZ2 LYS 71 1HZ LYS 71 -21.750 -4.327 7.063 522 HZ3 LYS 71 2HZ LYS 71 -20.653 -3.092 7.399 523 H GLY 72 H GLY 72 -15.503 -1.505 10.782 524 HA2 GLY 72 2HA GLY 72 -14.183 -1.921 12.783 525 HA3 GLY 72 1HA GLY 72 -15.249 -3.253 13.161 526 H HIS 73 H HIS 73 -14.656 -3.737 9.950 527 HA HIS 73 HA HIS 73 -12.641 -5.729 10.546 528 HB2 HIS 73 2HB HIS 73 -14.215 -5.048 8.083 529 HB3 HIS 73 1HB HIS 73 -12.813 -6.108 7.968 530 HD1 HIS 73 HD1 HIS 73 -16.314 -6.334 8.278 531 HD2 HIS 73 HD2 HIS 73 -13.135 -8.312 10.076 532 HE1 HIS 73 HE1 HIS 73 -17.268 -8.483 9.157 533 HE2 HIS 73 HE2 HIS 73 -15.298 -9.726 10.100 534 H GLU 74 H GLU 74 -10.607 -5.033 10.850 535 HA GLU 74 HA GLU 74 -9.516 -2.956 9.067 536 HB2 GLU 74 2HB GLU 74 -9.440 -2.543 11.511 537 HB3 GLU 74 1HB GLU 74 -8.433 -3.971 11.707 538 HG2 GLU 74 2HG GLU 74 -6.687 -2.945 10.354 539 HG3 GLU 74 1HG GLU 74 -7.702 -1.524 10.107 540 H VAL 75 H VAL 75 -8.293 -3.612 7.423 541 HA VAL 75 HA VAL 75 -6.926 -6.230 7.580 542 HB VAL 75 HB VAL 75 -7.771 -4.696 5.105 543 HG11 VAL 75 1HG1 VAL 75 -7.271 -6.784 3.902 544 HG12 VAL 75 2HG1 VAL 75 -6.679 -7.500 5.402 545 HG13 VAL 75 3HG1 VAL 75 -5.838 -6.122 4.691 546 HG21 VAL 75 3HG2 VAL 75 -9.721 -5.476 6.340 547 HG22 VAL 75 1HG2 VAL 75 -9.048 -7.104 6.417 548 HG23 VAL 75 2HG2 VAL 75 -9.517 -6.418 4.862 549 H THR 76 H THR 76 -4.775 -6.439 6.764 550 HA THR 76 HA THR 76 -3.319 -3.969 6.125 551 HB THR 76 HB THR 76 -3.064 -4.126 8.526 552 HG1 THR 76 HG1 THR 76 -1.201 -3.505 7.286 553 HG21 THR 76 3HG2 THR 76 -3.514 -6.520 8.813 554 HG22 THR 76 1HG2 THR 76 -2.010 -6.056 9.609 555 HG23 THR 76 2HG2 THR 76 -1.965 -6.906 8.066 556 H ALA 77 H ALA 77 -1.488 -4.227 4.871 557 HA ALA 77 HA ALA 77 -0.438 -6.894 4.307 558 HB1 ALA 77 3HB ALA 77 -1.529 -5.156 2.087 559 HB2 ALA 77 1HB ALA 77 -2.282 -6.628 2.699 560 HB3 ALA 77 2HB ALA 77 -0.714 -6.710 1.896 561 H LYS 78 H LYS 78 1.584 -6.790 2.943 562 HA LYS 78 HA LYS 78 2.956 -4.188 3.246 563 HB2 LYS 78 2HB LYS 78 4.035 -6.928 3.941 564 HB3 LYS 78 1HB LYS 78 5.024 -5.475 3.854 565 HG2 LYS 78 2HG LYS 78 3.717 -4.453 5.642 566 HG3 LYS 78 1HG LYS 78 2.682 -5.882 5.713 567 HD2 LYS 78 2HD LYS 78 4.589 -7.250 6.391 568 HD3 LYS 78 1HD LYS 78 5.657 -5.847 6.268 569 HE2 LYS 78 2HE LYS 78 4.450 -4.733 8.057 570 HE3 LYS 78 1HE LYS 78 3.284 -6.054 8.129 571 HZ1 LYS 78 3HZ LYS 78 6.180 -6.293 8.731 572 HZ2 LYS 78 1HZ LYS 78 5.037 -7.536 8.836 573 HZ3 LYS 78 2HZ LYS 78 4.942 -6.207 9.882 574 H GLN 79 H GLN 79 4.696 -3.749 1.834 575 HA GLN 79 HA GLN 79 4.877 -5.414 -0.604 576 HB2 GLN 79 2HB GLN 79 3.448 -3.523 -1.157 577 HB3 GLN 79 1HB GLN 79 4.604 -2.395 -0.455 578 HG2 GLN 79 2HG GLN 79 6.246 -3.129 -2.209 579 HG3 GLN 79 1HG GLN 79 4.945 -4.051 -2.955 580 HE21 GLN 79 1HE2 GLN 79 4.530 -0.902 -1.453 581 HE22 GLN 79 2HE2 GLN 79 4.201 -0.052 -2.917 582 H THR 80 H THR 80 6.947 -5.909 -1.137 583 HA THR 80 HA THR 80 9.140 -4.419 0.132 584 HB THR 80 HB THR 80 9.174 -7.057 -1.359 585 HG1 THR 80 HG1 THR 80 9.980 -6.933 1.285 586 HG21 THR 80 3HG2 THR 80 11.429 -5.622 0.065 587 HG22 THR 80 1HG2 THR 80 11.303 -5.880 -1.676 588 HG23 THR 80 2HG2 THR 80 11.507 -7.257 -0.593 589 H VAL 81 H VAL 81 9.835 -2.708 -0.996 590 HA VAL 81 HA VAL 81 9.843 -2.791 -3.938 591 HB VAL 81 HB VAL 81 10.239 -0.405 -2.112 592 HG11 VAL 81 1HG1 VAL 81 9.739 -0.548 -5.090 593 HG12 VAL 81 2HG1 VAL 81 11.254 -0.096 -4.307 594 HG13 VAL 81 3HG1 VAL 81 9.830 0.930 -4.130 595 HG21 VAL 81 3HG2 VAL 81 7.996 -1.343 -1.857 596 HG22 VAL 81 1HG2 VAL 81 7.761 -1.283 -3.603 597 HG23 VAL 81 2HG2 VAL 81 7.940 0.213 -2.685 598 H THR 82 H THR 82 11.700 -2.928 -5.055 599 HA THR 82 HA THR 82 14.265 -2.620 -3.613 600 HB THR 82 HB THR 82 13.745 -4.128 -6.198 601 HG1 THR 82 HG1 THR 82 13.037 -5.625 -4.886 602 HG21 THR 82 3HG2 THR 82 16.183 -4.027 -4.403 603 HG22 THR 82 1HG2 THR 82 16.049 -3.316 -6.012 604 HG23 THR 82 2HG2 THR 82 15.990 -5.068 -5.813 605 H VAL 83 H VAL 83 15.199 -0.684 -3.998 606 HA VAL 83 HA VAL 83 14.824 0.661 -6.576 607 HB VAL 83 HB VAL 83 16.384 1.664 -4.179 608 HG11 VAL 83 1HG1 VAL 83 16.032 3.877 -5.196 609 HG12 VAL 83 2HG1 VAL 83 15.206 3.115 -6.557 610 HG13 VAL 83 3HG1 VAL 83 16.918 2.798 -6.275 611 HG21 VAL 83 3HG2 VAL 83 14.083 1.212 -3.503 612 HG22 VAL 83 1HG2 VAL 83 13.481 2.153 -4.867 613 HG23 VAL 83 2HG2 VAL 83 14.379 2.949 -3.574 614 H LYS 84 H LYS 84 16.251 0.361 -8.184 615 HA LYS 84 HA LYS 84 18.967 -0.601 -7.526 616 HB2 LYS 84 2HB LYS 84 17.331 -1.091 -10.033 617 HB3 LYS 84 1HB LYS 84 18.945 -1.724 -9.722 618 HG2 LYS 84 2HG LYS 84 18.125 -3.032 -7.861 619 HG3 LYS 84 1HG LYS 84 16.518 -2.329 -8.033 620 HD2 LYS 84 2HD LYS 84 16.530 -4.540 -8.989 621 HD3 LYS 84 1HD LYS 84 16.352 -3.357 -10.285 622 HE2 LYS 84 2HE LYS 84 18.651 -3.619 -10.924 623 HE3 LYS 84 1HE LYS 84 18.986 -4.602 -9.498 624 HZ1 LYS 84 3HZ LYS 84 17.097 -5.389 -11.649 625 HZ2 LYS 84 1HZ LYS 84 17.605 -6.335 -10.341 626 HZ3 LYS 84 2HZ LYS 84 18.701 -5.910 -11.556 627 H VAL 85 H VAL 85 20.682 -0.010 -9.127 628 HA VAL 85 HA VAL 85 20.597 2.889 -9.331 629 HB VAL 85 HB VAL 85 22.930 1.025 -9.841 630 HG11 VAL 85 1HG1 VAL 85 23.292 3.217 -10.803 631 HG12 VAL 85 2HG1 VAL 85 24.309 3.020 -9.374 632 HG13 VAL 85 3HG1 VAL 85 22.841 3.995 -9.286 633 HG21 VAL 85 3HG2 VAL 85 23.626 1.532 -7.538 634 HG22 VAL 85 1HG2 VAL 85 22.068 0.704 -7.582 635 HG23 VAL 85 2HG2 VAL 85 22.135 2.443 -7.290 636 H ARG 86 H ARG 86 21.025 4.133 -11.136 637 HA ARG 86 HA ARG 86 20.487 3.041 -13.754 638 HB2 ARG 86 2HB ARG 86 21.271 5.801 -12.788 639 HB3 ARG 86 1HB ARG 86 20.997 5.425 -14.482 640 HG2 ARG 86 2HG ARG 86 18.913 5.018 -12.347 641 HG3 ARG 86 1HG ARG 86 19.086 6.513 -13.266 642 HD2 ARG 86 2HD ARG 86 18.849 5.124 -15.359 643 HD3 ARG 86 1HD ARG 86 18.412 3.770 -14.316 644 HE ARG 86 HE ARG 86 16.541 5.269 -13.529 645 HH11 ARG 86 1HH1 ARG 86 17.962 5.716 -16.638 646 HH12 ARG 86 2HH1 ARG 86 16.488 6.282 -17.344 647 HH21 ARG 86 1HH2 ARG 86 14.681 6.027 -14.430 648 HH22 ARG 86 2HH2 ARG 86 14.649 6.470 -16.101 649 H GLU 87 H GLU 87 21.952 2.994 -15.529 650 HA GLU 87 HA GLU 87 24.815 2.982 -14.801 651 HB2 GLU 87 2HB GLU 87 23.431 1.872 -17.260 652 HB3 GLU 87 1HB GLU 87 25.145 1.722 -16.900 653 HG2 GLU 87 2HG GLU 87 24.474 0.486 -14.798 654 HG3 GLU 87 1HG GLU 87 22.833 0.462 -15.442 655 H GLU 88 H GLU 88 23.364 5.454 -15.189 656 HA GLU 88 HA GLU 88 24.528 6.478 -17.710 657 HB2 GLU 88 2HB GLU 88 22.093 7.559 -16.279 658 HB3 GLU 88 1HB GLU 88 22.650 7.969 -17.896 659 HG2 GLU 88 2HG GLU 88 22.034 5.824 -18.739 660 HG3 GLU 88 1HG GLU 88 21.720 5.213 -17.115 661 H VAL 89 H VAL 89 25.568 6.413 -14.841 662 HA VAL 89 HA VAL 89 25.368 9.176 -13.953 663 HB VAL 89 HB VAL 89 26.640 8.411 -11.957 664 HG11 VAL 89 1HG1 VAL 89 24.210 6.736 -12.620 665 HG12 VAL 89 2HG1 VAL 89 24.182 8.391 -12.012 666 HG13 VAL 89 3HG1 VAL 89 24.820 7.094 -11.003 667 HG21 VAL 89 3HG2 VAL 89 27.941 6.605 -12.982 668 HG22 VAL 89 1HG2 VAL 89 26.463 5.681 -13.258 669 HG23 VAL 89 2HG2 VAL 89 27.010 6.002 -11.611 670 H LYS 90 H LYS 90 26.748 10.710 -14.491 671 HA LYS 90 HA LYS 90 29.617 10.107 -14.722 672 HB2 LYS 90 2HB LYS 90 28.080 11.739 -16.763 673 HB3 LYS 90 1HB LYS 90 29.824 11.525 -16.732 674 HG2 LYS 90 2HG LYS 90 29.522 9.114 -17.106 675 HG3 LYS 90 1HG LYS 90 27.777 9.355 -17.166 676 HD2 LYS 90 2HD LYS 90 28.645 9.231 -19.417 677 HD3 LYS 90 1HD LYS 90 28.091 10.877 -19.096 678 HE2 LYS 90 2HE LYS 90 30.371 11.618 -18.734 679 HE3 LYS 90 1HE LYS 90 30.967 9.964 -18.891 680 HZ1 LYS 90 3HZ LYS 90 30.219 9.954 -21.190 681 HZ2 LYS 90 1HZ LYS 90 31.315 11.212 -20.917 682 HZ3 LYS 90 2HZ LYS 90 29.659 11.539 -21.043 683 H ASN 91 H ASN 91 27.588 12.981 -15.309 684 HA ASN 91 HA ASN 91 28.892 14.348 -13.048 685 HB2 ASN 91 2HB ASN 91 29.949 14.979 -15.259 686 HB3 ASN 91 1HB ASN 91 28.394 15.639 -15.747 687 HD21 ASN 91 1HD2 ASN 91 29.849 15.833 -12.532 688 HD22 ASN 91 2HD2 ASN 91 30.027 17.551 -12.543 689 H ASP 92 H ASP 92 26.665 13.413 -12.361 690 HA ASP 92 HA ASP 92 24.324 14.727 -13.407 691 HB2 ASP 92 2HB ASP 92 24.587 12.807 -11.083 692 HB3 ASP 92 1HB ASP 92 23.096 13.247 -11.917 693 H LYS 93 H LYS 93 25.176 16.874 -12.790 694 HA LYS 93 HA LYS 93 25.139 18.779 -11.551 695 HB2 LYS 93 2HB LYS 93 22.598 17.460 -10.594 696 HB3 LYS 93 1HB LYS 93 22.999 19.144 -10.301 697 HG2 LYS 93 2HG LYS 93 22.756 17.949 -13.062 698 HG3 LYS 93 1HG LYS 93 21.419 18.712 -12.207 699 HD2 LYS 93 2HD LYS 93 22.210 20.445 -13.536 700 HD3 LYS 93 1HD LYS 93 23.027 20.750 -12.005 701 HE2 LYS 93 2HE LYS 93 24.591 21.031 -13.826 702 HE3 LYS 93 1HE LYS 93 25.040 19.606 -12.895 703 HZ1 LYS 93 3HZ LYS 93 23.520 19.569 -15.445 704 HZ2 LYS 93 1HZ LYS 93 24.031 18.218 -14.573 705 HZ3 LYS 93 2HZ LYS 93 25.168 19.236 -15.292 706 HA PRO 94 HA PRO 94 26.906 17.411 -7.501 707 HB2 PRO 94 2HB PRO 94 29.069 19.257 -8.228 708 HB3 PRO 94 1HB PRO 94 29.163 17.542 -7.820 709 HG2 PRO 94 2HG PRO 94 29.616 18.459 -10.324 710 HG3 PRO 94 1HG PRO 94 28.899 16.869 -10.009 711 HD2 PRO 94 2HD PRO 94 27.544 19.438 -10.780 712 HD3 PRO 94 1HD PRO 94 27.264 17.792 -11.393 713 H ILE 95 H ILE 95 24.795 19.102 -7.609 714 HA ILE 95 HA ILE 95 25.640 21.801 -6.829 715 HB ILE 95 HB ILE 95 23.302 22.444 -7.163 716 HG12 ILE 95 2HG1 ILE 95 22.866 19.526 -7.884 717 HG13 ILE 95 1HG1 ILE 95 22.226 20.340 -6.459 718 HG21 ILE 95 1HG2 ILE 95 24.424 20.838 -9.466 719 HG22 ILE 95 2HG2 ILE 95 24.807 22.516 -9.082 720 HG23 ILE 95 3HG2 ILE 95 23.178 22.077 -9.596 721 HD11 ILE 95 3HD1 ILE 95 20.517 20.088 -8.140 722 HD12 ILE 95 1HD1 ILE 95 21.518 20.930 -9.326 723 HD13 ILE 95 2HD1 ILE 95 20.895 21.796 -7.918 724 H LEU 96 H LEU 96 24.269 22.878 -5.084 725 HA LEU 96 HA LEU 96 23.230 21.051 -3.051 726 HB2 LEU 96 2HB LEU 96 25.641 21.322 -2.569 727 HB3 LEU 96 1HB LEU 96 25.410 23.054 -2.449 728 HG LEU 96 HG LEU 96 23.926 22.714 -0.498 729 HD11 LEU 96 1HD1 LEU 96 23.082 20.492 -1.032 730 HD12 LEU 96 2HD1 LEU 96 23.804 20.518 0.576 731 HD13 LEU 96 3HD1 LEU 96 24.688 19.804 -0.774 732 HD21 LEU 96 3HD2 LEU 96 26.651 21.432 -0.249 733 HD22 LEU 96 1HD2 LEU 96 25.678 22.047 1.090 734 HD23 LEU 96 2HD2 LEU 96 26.293 23.155 -0.137 735 H GLU 97 H GLU 97 23.299 24.174 -4.517 736 HA GLU 97 HA GLU 97 21.846 25.524 -2.414 737 HB2 GLU 97 2HB GLU 97 22.261 26.502 -5.246 738 HB3 GLU 97 1HB GLU 97 21.866 27.465 -3.831 739 HG2 GLU 97 2HG GLU 97 24.091 27.917 -3.988 740 HG3 GLU 97 1HG GLU 97 24.157 26.495 -2.947 Start of MODEL 7 1 H1 MET 1 1H MET 1 -39.107 -7.666 2.600 2 H2 MET 1 2H MET 1 -39.321 -6.458 3.761 3 H3 MET 1 3H MET 1 -38.538 -7.899 4.177 4 HA MET 1 HA MET 1 -36.711 -7.396 2.725 5 HB2 MET 1 2HB MET 1 -38.251 -4.847 2.163 6 HB3 MET 1 1HB MET 1 -36.593 -5.143 1.660 7 HG2 MET 1 2HG MET 1 -37.331 -6.995 0.262 8 HG3 MET 1 1HG MET 1 -38.991 -6.747 0.796 9 HE1 MET 1 3HE MET 1 -38.165 -6.884 -2.269 10 HE2 MET 1 1HE MET 1 -39.089 -5.540 -2.935 11 HE3 MET 1 2HE MET 1 -39.823 -6.600 -1.734 12 H GLY 2 H GLY 2 -35.527 -7.442 4.592 13 HA2 GLY 2 2HA GLY 2 -34.840 -4.916 5.805 14 HA3 GLY 2 1HA GLY 2 -35.735 -5.973 6.884 15 H ASN 3 H ASN 3 -33.901 -6.071 8.290 16 HA ASN 3 HA ASN 3 -31.638 -7.660 7.236 17 HB2 ASN 3 2HB ASN 3 -31.665 -5.475 9.324 18 HB3 ASN 3 1HB ASN 3 -30.297 -6.559 9.089 19 HD21 ASN 3 1HD2 ASN 3 -29.080 -6.401 7.204 20 HD22 ASN 3 2HD2 ASN 3 -29.171 -5.018 6.173 21 H GLY 4 H GLY 4 -30.372 -8.269 9.592 22 HA2 GLY 4 2HA GLY 4 -31.429 -9.324 11.762 23 HA3 GLY 4 1HA GLY 4 -32.131 -10.401 10.564 24 H GLU 5 H GLU 5 -29.312 -9.593 12.368 25 HA GLU 5 HA GLU 5 -27.249 -10.506 12.601 26 HB2 GLU 5 2HB GLU 5 -28.673 -12.627 12.707 27 HB3 GLU 5 1HB GLU 5 -28.245 -12.898 11.029 28 HG2 GLU 5 2HG GLU 5 -26.197 -12.621 13.221 29 HG3 GLU 5 1HG GLU 5 -26.907 -14.161 12.757 30 H THR 6 H THR 6 -26.306 -8.896 11.291 31 HA THR 6 HA THR 6 -25.542 -9.787 8.574 32 HB THR 6 HB THR 6 -25.819 -6.916 9.516 33 HG1 THR 6 HG1 THR 6 -27.451 -8.271 7.610 34 HG21 THR 6 3HG2 THR 6 -24.103 -7.161 7.800 35 HG22 THR 6 1HG2 THR 6 -25.523 -6.356 7.132 36 HG23 THR 6 2HG2 THR 6 -25.227 -8.057 6.777 37 H SER 7 H SER 7 -23.602 -10.761 9.147 38 HA SER 7 HA SER 7 -21.663 -9.540 10.849 39 HB2 SER 7 2HB SER 7 -21.433 -11.826 8.872 40 HB3 SER 7 1HB SER 7 -20.120 -11.316 9.934 41 HG SER 7 HG SER 7 -22.680 -12.271 10.726 42 H ASP 8 H ASP 8 -19.782 -8.426 10.352 43 HA ASP 8 HA ASP 8 -19.893 -6.843 7.974 44 HB2 ASP 8 2HB ASP 8 -19.134 -5.802 10.003 45 HB3 ASP 8 1HB ASP 8 -17.851 -6.992 10.191 46 H LEU 9 H LEU 9 -19.120 -7.348 6.054 47 HA LEU 9 HA LEU 9 -17.173 -9.450 5.687 48 HB2 LEU 9 2HB LEU 9 -18.354 -7.502 3.693 49 HB3 LEU 9 1HB LEU 9 -17.377 -8.904 3.294 50 HG LEU 9 HG LEU 9 -20.124 -8.955 4.563 51 HD11 LEU 9 1HD1 LEU 9 -20.828 -9.977 2.456 52 HD12 LEU 9 2HD1 LEU 9 -19.200 -9.774 1.806 53 HD13 LEU 9 3HD1 LEU 9 -20.178 -8.358 2.201 54 HD21 LEU 9 3HD2 LEU 9 -19.985 -11.399 4.282 55 HD22 LEU 9 1HD2 LEU 9 -18.775 -10.788 5.409 56 HD23 LEU 9 2HD2 LEU 9 -18.305 -11.233 3.769 57 H GLU 10 H GLU 10 -15.069 -9.114 5.961 58 HA GLU 10 HA GLU 10 -13.870 -6.616 6.363 59 HB2 GLU 10 2HB GLU 10 -11.706 -7.909 6.098 60 HB3 GLU 10 1HB GLU 10 -12.827 -8.517 7.308 61 HG2 GLU 10 2HG GLU 10 -13.627 -10.168 5.577 62 HG3 GLU 10 1HG GLU 10 -12.265 -9.654 4.580 63 HA PRO 11 HA PRO 11 -13.526 -4.994 2.367 64 HB2 PRO 11 2HB PRO 11 -11.610 -3.125 2.674 65 HB3 PRO 11 1HB PRO 11 -13.167 -3.016 3.503 66 HG2 PRO 11 2HG PRO 11 -10.527 -3.973 4.558 67 HG3 PRO 11 1HG PRO 11 -11.713 -2.898 5.323 68 HD2 PRO 11 2HD PRO 11 -11.511 -5.567 5.892 69 HD3 PRO 11 1HD PRO 11 -13.026 -4.653 6.031 70 H LYS 12 H LYS 12 -12.366 -4.904 0.429 71 HA LYS 12 HA LYS 12 -10.115 -6.724 0.192 72 HB2 LYS 12 2HB LYS 12 -11.905 -6.856 -1.457 73 HB3 LYS 12 1HB LYS 12 -11.681 -5.167 -1.886 74 HG2 LYS 12 2HG LYS 12 -10.704 -6.589 -3.577 75 HG3 LYS 12 1HG LYS 12 -9.429 -5.702 -2.738 76 HD2 LYS 12 2HD LYS 12 -8.751 -8.008 -3.066 77 HD3 LYS 12 1HD LYS 12 -8.992 -7.696 -1.346 78 HE2 LYS 12 2HE LYS 12 -11.228 -8.725 -1.496 79 HE3 LYS 12 1HE LYS 12 -10.939 -9.075 -3.199 80 HZ1 LYS 12 3HZ LYS 12 -9.353 -10.133 -0.921 81 HZ2 LYS 12 1HZ LYS 12 -9.075 -10.473 -2.555 82 HZ3 LYS 12 2HZ LYS 12 -10.501 -10.996 -1.808 83 H LEU 13 H LEU 13 -8.235 -5.805 0.898 84 HA LEU 13 HA LEU 13 -7.513 -3.101 0.040 85 HB2 LEU 13 2HB LEU 13 -7.117 -3.745 2.380 86 HB3 LEU 13 1HB LEU 13 -6.078 -5.053 1.852 87 HG LEU 13 HG LEU 13 -4.469 -3.416 0.942 88 HD11 LEU 13 1HD1 LEU 13 -4.715 -1.036 1.422 89 HD12 LEU 13 2HD1 LEU 13 -6.301 -1.329 2.134 90 HD13 LEU 13 3HD1 LEU 13 -6.039 -1.613 0.413 91 HD21 LEU 13 3HD2 LEU 13 -5.213 -2.914 3.830 92 HD22 LEU 13 1HD2 LEU 13 -3.654 -2.555 3.083 93 HD23 LEU 13 2HD2 LEU 13 -4.196 -4.226 3.232 94 H THR 14 H THR 14 -6.763 -3.013 -1.993 95 HA THR 14 HA THR 14 -5.235 -5.208 -3.151 96 HB THR 14 HB THR 14 -6.146 -2.602 -4.405 97 HG1 THR 14 HG1 THR 14 -7.268 -5.054 -5.138 98 HG21 THR 14 3HG2 THR 14 -5.680 -3.724 -6.549 99 HG22 THR 14 1HG2 THR 14 -5.023 -5.109 -5.675 100 HG23 THR 14 2HG2 THR 14 -4.218 -3.540 -5.578 101 H VAL 15 H VAL 15 -3.116 -5.265 -2.748 102 HA VAL 15 HA VAL 15 -1.506 -2.831 -3.163 103 HB VAL 15 HB VAL 15 -1.174 -4.742 -0.828 104 HG11 VAL 15 1HG1 VAL 15 0.504 -2.356 -1.623 105 HG12 VAL 15 2HG1 VAL 15 1.000 -4.048 -1.652 106 HG13 VAL 15 3HG1 VAL 15 0.662 -3.256 -0.113 107 HG21 VAL 15 3HG2 VAL 15 -3.002 -3.152 -0.487 108 HG22 VAL 15 1HG2 VAL 15 -1.913 -1.811 -0.847 109 HG23 VAL 15 2HG2 VAL 15 -1.649 -2.801 0.587 110 HA PRO 16 HA PRO 16 0.883 -5.886 -5.490 111 HB2 PRO 16 2HB PRO 16 2.905 -4.278 -6.298 112 HB3 PRO 16 1HB PRO 16 1.288 -4.180 -7.003 113 HG2 PRO 16 2HG PRO 16 2.564 -2.434 -4.942 114 HG3 PRO 16 1HG PRO 16 1.529 -1.983 -6.309 115 HD2 PRO 16 2HD PRO 16 0.644 -2.204 -3.708 116 HD3 PRO 16 1HD PRO 16 -0.400 -2.390 -5.128 117 H VAL 17 H VAL 17 2.091 -7.398 -4.494 118 HA VAL 17 HA VAL 17 3.374 -6.917 -2.020 119 HB VAL 17 HB VAL 17 2.363 -9.080 -2.617 120 HG11 VAL 17 1HG1 VAL 17 3.064 -9.207 -4.958 121 HG12 VAL 17 2HG1 VAL 17 3.527 -10.658 -4.070 122 HG13 VAL 17 3HG1 VAL 17 4.737 -9.433 -4.449 123 HG21 VAL 17 3HG2 VAL 17 4.122 -10.524 -1.665 124 HG22 VAL 17 1HG2 VAL 17 3.961 -9.002 -0.789 125 HG23 VAL 17 2HG2 VAL 17 5.299 -9.234 -1.916 126 H GLY 18 H GLY 18 4.582 -6.726 -5.275 127 HA2 GLY 18 2HA GLY 18 7.275 -6.175 -4.221 128 HA3 GLY 18 1HA GLY 18 7.105 -7.393 -5.472 129 H ALA 19 H ALA 19 8.564 -4.847 -5.425 130 HA ALA 19 HA ALA 19 7.822 -3.914 -8.058 131 HB1 ALA 19 3HB ALA 19 7.637 -1.550 -7.429 132 HB2 ALA 19 1HB ALA 19 7.794 -1.985 -5.727 133 HB3 ALA 19 2HB ALA 19 6.386 -2.513 -6.645 134 H THR 20 H THR 20 9.566 -2.707 -9.067 135 HA THR 20 HA THR 20 12.063 -2.484 -7.522 136 HB THR 20 HB THR 20 11.886 -3.899 -10.199 137 HG1 THR 20 HG1 THR 20 11.439 -5.462 -8.785 138 HG21 THR 20 3HG2 THR 20 14.297 -4.276 -9.940 139 HG22 THR 20 1HG2 THR 20 14.293 -3.319 -8.460 140 HG23 THR 20 2HG2 THR 20 13.934 -2.552 -10.007 141 H ILE 21 H ILE 21 13.013 -0.554 -7.833 142 HA ILE 21 HA ILE 21 12.593 0.848 -10.400 143 HB ILE 21 HB ILE 21 12.551 3.014 -9.173 144 HG12 ILE 21 2HG1 ILE 21 12.263 1.253 -6.721 145 HG13 ILE 21 1HG1 ILE 21 13.636 2.290 -7.090 146 HG21 ILE 21 1HG2 ILE 21 10.338 1.094 -8.445 147 HG22 ILE 21 2HG2 ILE 21 10.478 2.004 -9.951 148 HG23 ILE 21 3HG2 ILE 21 10.222 2.855 -8.428 149 HD11 ILE 21 3HD1 ILE 21 12.200 3.302 -5.421 150 HD12 ILE 21 1HD1 ILE 21 10.822 3.208 -6.519 151 HD13 ILE 21 2HD1 ILE 21 12.190 4.256 -6.904 152 H HIS 22 H HIS 22 14.177 2.760 -10.595 153 HA HIS 22 HA HIS 22 16.856 1.881 -9.704 154 HB2 HIS 22 2HB HIS 22 15.988 3.407 -12.165 155 HB3 HIS 22 1HB HIS 22 17.669 3.285 -11.665 156 HD1 HIS 22 HD1 HIS 22 14.937 1.380 -13.295 157 HD2 HIS 22 HD2 HIS 22 18.815 0.710 -11.969 158 HE1 HIS 22 HE1 HIS 22 15.642 -0.777 -14.357 159 HE2 HIS 22 HE2 HIS 22 18.072 -1.009 -13.754 160 H VAL 23 H VAL 23 18.466 3.620 -9.369 161 HA VAL 23 HA VAL 23 17.602 5.721 -7.701 162 HB VAL 23 HB VAL 23 20.216 5.466 -9.218 163 HG11 VAL 23 1HG1 VAL 23 19.844 7.759 -8.461 164 HG12 VAL 23 2HG1 VAL 23 21.139 6.996 -7.539 165 HG13 VAL 23 3HG1 VAL 23 19.537 7.183 -6.822 166 HG21 VAL 23 3HG2 VAL 23 19.789 3.549 -7.758 167 HG22 VAL 23 1HG2 VAL 23 19.507 4.634 -6.395 168 HG23 VAL 23 2HG2 VAL 23 21.108 4.536 -7.130 169 H GLY 24 H GLY 24 16.824 7.705 -8.147 170 HA2 GLY 24 2HA GLY 24 16.503 9.701 -9.340 171 HA3 GLY 24 1HA GLY 24 17.331 8.997 -10.717 172 H ASP 25 H ASP 25 15.124 6.752 -9.713 173 HA ASP 25 HA ASP 25 13.317 7.376 -11.900 174 HB2 ASP 25 2HB ASP 25 14.279 5.025 -10.948 175 HB3 ASP 25 1HB ASP 25 12.743 5.076 -10.095 176 H SER 26 H SER 26 10.859 6.770 -11.306 177 HA SER 26 HA SER 26 10.135 8.412 -8.955 178 HB2 SER 26 2HB SER 26 8.596 8.048 -11.543 179 HB3 SER 26 1HB SER 26 8.050 8.988 -10.155 180 HG SER 26 HG SER 26 10.453 9.492 -11.587 181 H PHE 27 H PHE 27 8.349 7.787 -7.695 182 HA PHE 27 HA PHE 27 7.039 5.240 -8.205 183 HB2 PHE 27 2HB PHE 27 9.071 4.540 -7.033 184 HB3 PHE 27 1HB PHE 27 8.759 5.697 -5.745 185 HD1 PHE 27 HD2 PHE 27 7.446 2.626 -7.365 186 HD2 PHE 27 HD1 PHE 27 7.400 5.128 -3.914 187 HE1 PHE 27 HE2 PHE 27 6.160 0.920 -6.144 188 HE2 PHE 27 HE1 PHE 27 6.112 3.429 -2.694 189 HZ PHE 27 HZ PHE 27 5.490 1.323 -3.807 190 H VAL 28 H VAL 28 4.963 5.288 -7.505 191 HA VAL 28 HA VAL 28 4.196 7.381 -5.556 192 HB VAL 28 HB VAL 28 2.533 6.432 -7.905 193 HG11 VAL 28 1HG1 VAL 28 1.028 8.278 -7.283 194 HG12 VAL 28 2HG1 VAL 28 2.034 8.617 -5.874 195 HG13 VAL 28 3HG1 VAL 28 1.170 7.084 -5.994 196 HG21 VAL 28 3HG2 VAL 28 4.009 9.042 -7.503 197 HG22 VAL 28 1HG2 VAL 28 2.909 8.679 -8.834 198 HG23 VAL 28 2HG2 VAL 28 4.416 7.780 -8.667 199 HA PRO 29 HA PRO 29 3.147 3.519 -3.417 200 HB2 PRO 29 2HB PRO 29 2.360 4.767 -1.080 201 HB3 PRO 29 1HB PRO 29 4.027 4.343 -1.482 202 HG2 PRO 29 2HG PRO 29 2.618 6.974 -1.762 203 HG3 PRO 29 1HG PRO 29 4.264 6.640 -1.186 204 HD2 PRO 29 2HD PRO 29 3.805 7.548 -3.671 205 HD3 PRO 29 1HD PRO 29 5.095 6.368 -3.343 206 H MET 30 H MET 30 0.954 6.374 -3.193 207 HA MET 30 HA MET 30 -1.280 4.690 -2.487 208 HB2 MET 30 2HB MET 30 -1.070 7.645 -3.050 209 HB3 MET 30 1HB MET 30 -2.593 6.855 -2.661 210 HG2 MET 30 2HG MET 30 -0.143 6.980 -0.908 211 HG3 MET 30 1HG MET 30 -1.648 7.876 -0.687 212 HE1 MET 30 3HE MET 30 -4.172 4.933 0.070 213 HE2 MET 30 1HE MET 30 -3.785 5.604 -1.513 214 HE3 MET 30 2HE MET 30 -4.003 6.676 -0.130 215 H ALA 31 H ALA 31 0.077 5.570 -5.476 216 HA ALA 31 HA ALA 31 -2.368 5.541 -7.001 217 HB1 ALA 31 3HB ALA 31 -0.422 6.748 -7.838 218 HB2 ALA 31 1HB ALA 31 -0.915 5.492 -8.974 219 HB3 ALA 31 2HB ALA 31 0.488 5.240 -7.935 220 H GLU 32 H GLU 32 -0.046 3.160 -5.934 221 HA GLU 32 HA GLU 32 -1.201 1.096 -7.668 222 HB2 GLU 32 2HB GLU 32 1.217 1.058 -5.848 223 HB3 GLU 32 1HB GLU 32 0.685 -0.306 -6.823 224 HG2 GLU 32 2HG GLU 32 1.483 2.378 -7.949 225 HG3 GLU 32 1HG GLU 32 2.565 0.993 -7.806 226 H VAL 33 H VAL 33 -2.034 2.336 -4.773 227 HA VAL 33 HA VAL 33 -2.785 -0.291 -3.636 228 HB VAL 33 HB VAL 33 -2.072 2.242 -2.140 229 HG11 VAL 33 1HG1 VAL 33 -2.383 0.868 -0.092 230 HG12 VAL 33 2HG1 VAL 33 -3.067 -0.414 -1.093 231 HG13 VAL 33 3HG1 VAL 33 -3.882 1.143 -0.978 232 HG21 VAL 33 3HG2 VAL 33 -0.217 0.903 -1.246 233 HG22 VAL 33 1HG2 VAL 33 -0.132 1.032 -3.002 234 HG23 VAL 33 2HG2 VAL 33 -0.710 -0.458 -2.255 235 H LEU 34 H LEU 34 -4.886 -0.669 -3.465 236 HA LEU 34 HA LEU 34 -6.774 1.596 -3.234 237 HB2 LEU 34 2HB LEU 34 -7.167 -0.929 -4.861 238 HB3 LEU 34 1HB LEU 34 -8.410 0.265 -4.565 239 HG LEU 34 HG LEU 34 -7.647 0.647 -6.762 240 HD11 LEU 34 1HD1 LEU 34 -6.278 2.662 -4.982 241 HD12 LEU 34 2HD1 LEU 34 -7.971 2.685 -5.476 242 HD13 LEU 34 3HD1 LEU 34 -6.700 2.895 -6.679 243 HD21 LEU 34 3HD2 LEU 34 -5.314 0.935 -7.389 244 HD22 LEU 34 1HD2 LEU 34 -5.572 -0.641 -6.644 245 HD23 LEU 34 2HD2 LEU 34 -4.815 0.656 -5.720 246 H ALA 35 H ALA 35 -8.893 0.961 -2.280 247 HA ALA 35 HA ALA 35 -9.021 -1.577 -0.868 248 HB1 ALA 35 3HB ALA 35 -7.776 -0.182 0.712 249 HB2 ALA 35 1HB ALA 35 -9.373 -0.587 1.342 250 HB3 ALA 35 2HB ALA 35 -9.066 1.018 0.677 251 H ILE 36 H ILE 36 -11.044 -2.323 -1.038 252 HA ILE 36 HA ILE 36 -13.281 -0.399 -1.242 253 HB ILE 36 HB ILE 36 -12.839 -2.827 -3.000 254 HG12 ILE 36 2HG1 ILE 36 -11.534 -0.853 -3.689 255 HG13 ILE 36 1HG1 ILE 36 -12.805 -1.212 -4.852 256 HG21 ILE 36 1HG2 ILE 36 -15.190 -2.662 -2.414 257 HG22 ILE 36 2HG2 ILE 36 -14.954 -2.208 -4.102 258 HG23 ILE 36 3HG2 ILE 36 -15.214 -0.961 -2.881 259 HD11 ILE 36 3HD1 ILE 36 -12.614 1.168 -4.489 260 HD12 ILE 36 1HD1 ILE 36 -12.876 0.951 -2.759 261 HD13 ILE 36 2HD1 ILE 36 -14.169 0.586 -3.901 262 H ASP 37 H ASP 37 -14.985 -0.851 0.019 263 HA ASP 37 HA ASP 37 -15.274 -3.571 1.122 264 HB2 ASP 37 2HB ASP 37 -14.867 -1.858 2.844 265 HB3 ASP 37 1HB ASP 37 -16.274 -0.954 2.283 266 H LYS 38 H LYS 38 -17.389 -4.472 1.276 267 HA LYS 38 HA LYS 38 -18.989 -3.918 -1.025 268 HB2 LYS 38 2HB LYS 38 -18.710 -6.197 -0.147 269 HB3 LYS 38 1HB LYS 38 -19.576 -5.744 1.315 270 HG2 LYS 38 2HG LYS 38 -21.607 -5.371 0.047 271 HG3 LYS 38 1HG LYS 38 -20.755 -5.687 -1.464 272 HD2 LYS 38 2HD LYS 38 -20.323 -7.994 -0.738 273 HD3 LYS 38 1HD LYS 38 -21.175 -7.679 0.775 274 HE2 LYS 38 2HE LYS 38 -22.620 -8.851 -0.805 275 HE3 LYS 38 1HE LYS 38 -23.236 -7.230 -0.486 276 HZ1 LYS 38 3HZ LYS 38 -21.639 -8.009 -2.867 277 HZ2 LYS 38 1HZ LYS 38 -22.305 -6.484 -2.569 278 HZ3 LYS 38 2HZ LYS 38 -23.317 -7.807 -2.842 279 H GLU 39 H GLU 39 -19.387 -3.215 2.445 280 HA GLU 39 HA GLU 39 -22.082 -2.209 2.021 281 HB2 GLU 39 2HB GLU 39 -20.463 -1.758 4.522 282 HB3 GLU 39 1HB GLU 39 -22.209 -1.789 4.342 283 HG2 GLU 39 2HG GLU 39 -22.014 -3.850 5.211 284 HG3 GLU 39 1HG GLU 39 -21.601 -4.308 3.559 285 H ASP 40 H ASP 40 -18.971 -0.716 2.985 286 HA ASP 40 HA ASP 40 -20.129 1.928 2.894 287 HB2 ASP 40 2HB ASP 40 -18.348 1.188 4.525 288 HB3 ASP 40 1HB ASP 40 -17.203 1.243 3.187 289 H GLY 41 H GLY 41 -17.827 0.124 0.867 290 HA2 GLY 41 2HA GLY 41 -17.846 0.519 -1.534 291 HA3 GLY 41 1HA GLY 41 -18.176 2.212 -1.207 292 H ASP 42 H ASP 42 -16.467 3.602 -1.151 293 HA ASP 42 HA ASP 42 -13.831 2.542 -1.688 294 HB2 ASP 42 2HB ASP 42 -14.594 4.534 -2.890 295 HB3 ASP 42 1HB ASP 42 -14.768 5.406 -1.369 296 H LEU 43 H LEU 43 -12.581 1.841 -0.066 297 HA LEU 43 HA LEU 43 -12.401 3.517 2.360 298 HB2 LEU 43 2HB LEU 43 -11.633 0.619 1.959 299 HB3 LEU 43 1HB LEU 43 -11.302 1.538 3.417 300 HG LEU 43 HG LEU 43 -14.032 0.823 2.331 301 HD11 LEU 43 1HD1 LEU 43 -14.243 -0.527 4.331 302 HD12 LEU 43 2HD1 LEU 43 -12.626 -0.052 4.852 303 HD13 LEU 43 3HD1 LEU 43 -12.834 -1.029 3.399 304 HD21 LEU 43 3HD2 LEU 43 -14.106 3.037 3.337 305 HD22 LEU 43 1HD2 LEU 43 -13.300 2.430 4.785 306 HD23 LEU 43 2HD2 LEU 43 -14.919 1.866 4.373 307 H THR 44 H THR 44 -10.965 3.101 -0.532 308 HA THR 44 HA THR 44 -8.221 2.943 -0.092 309 HB THR 44 HB THR 44 -9.535 4.731 -2.152 310 HG1 THR 44 HG1 THR 44 -10.268 2.958 -3.012 311 HG21 THR 44 3HG2 THR 44 -6.873 3.295 -2.160 312 HG22 THR 44 1HG2 THR 44 -7.113 5.032 -1.974 313 HG23 THR 44 2HG2 THR 44 -7.535 4.241 -3.493 314 H SER 45 H SER 45 -10.400 5.705 0.172 315 HA SER 45 HA SER 45 -8.359 7.655 0.622 316 HB2 SER 45 2HB SER 45 -10.252 9.122 1.327 317 HB3 SER 45 1HB SER 45 -10.511 8.350 -0.237 318 HG SER 45 HG SER 45 -12.053 7.102 0.598 319 H LYS 46 H LYS 46 -9.559 5.213 2.626 320 HA LYS 46 HA LYS 46 -8.886 6.661 5.097 321 HB2 LYS 46 2HB LYS 46 -10.285 4.030 4.630 322 HB3 LYS 46 1HB LYS 46 -9.816 4.602 6.225 323 HG2 LYS 46 2HG LYS 46 -11.214 6.643 5.814 324 HG3 LYS 46 1HG LYS 46 -11.799 5.864 4.340 325 HD2 LYS 46 2HD LYS 46 -12.705 4.023 5.619 326 HD3 LYS 46 1HD LYS 46 -11.998 4.660 7.104 327 HE2 LYS 46 2HE LYS 46 -14.368 5.164 7.033 328 HE3 LYS 46 1HE LYS 46 -13.435 6.653 6.904 329 HZ1 LYS 46 3HZ LYS 46 -14.742 5.204 4.666 330 HZ2 LYS 46 1HZ LYS 46 -13.798 6.597 4.499 331 HZ3 LYS 46 2HZ LYS 46 -15.257 6.657 5.351 332 H ILE 47 H ILE 47 -7.189 4.932 2.894 333 HA ILE 47 HA ILE 47 -5.815 3.023 4.528 334 HB ILE 47 HB ILE 47 -4.998 4.215 1.865 335 HG12 ILE 47 2HG1 ILE 47 -6.394 1.598 2.515 336 HG13 ILE 47 1HG1 ILE 47 -7.156 3.013 1.795 337 HG21 ILE 47 1HG2 ILE 47 -3.515 2.265 1.655 338 HG22 ILE 47 2HG2 ILE 47 -3.954 1.757 3.285 339 HG23 ILE 47 3HG2 ILE 47 -3.077 3.266 3.040 340 HD11 ILE 47 3HD1 ILE 47 -5.666 2.790 -0.152 341 HD12 ILE 47 1HD1 ILE 47 -6.684 1.373 0.103 342 HD13 ILE 47 2HD1 ILE 47 -4.986 1.331 0.568 343 H LYS 48 H LYS 48 -4.028 3.248 5.778 344 HA LYS 48 HA LYS 48 -2.597 5.823 5.773 345 HB2 LYS 48 2HB LYS 48 -3.399 5.069 7.963 346 HB3 LYS 48 1HB LYS 48 -2.528 3.550 7.782 347 HG2 LYS 48 2HG LYS 48 -0.401 4.850 7.691 348 HG3 LYS 48 1HG LYS 48 -1.327 6.309 8.037 349 HD2 LYS 48 2HD LYS 48 -2.067 5.317 10.168 350 HD3 LYS 48 1HD LYS 48 -1.111 3.875 9.819 351 HE2 LYS 48 2HE LYS 48 -0.059 6.681 10.215 352 HE3 LYS 48 1HE LYS 48 0.106 5.331 11.337 353 HZ1 LYS 48 3HZ LYS 48 1.408 4.167 9.621 354 HZ2 LYS 48 1HZ LYS 48 2.133 5.615 10.108 355 HZ3 LYS 48 2HZ LYS 48 1.319 5.537 8.630 356 H VAL 49 H VAL 49 -0.494 5.993 5.171 357 HA VAL 49 HA VAL 49 0.849 3.606 4.126 358 HB VAL 49 HB VAL 49 1.653 6.521 3.883 359 HG11 VAL 49 1HG1 VAL 49 3.145 5.747 2.092 360 HG12 VAL 49 2HG1 VAL 49 2.677 4.079 2.421 361 HG13 VAL 49 3HG1 VAL 49 3.556 5.005 3.638 362 HG21 VAL 49 3HG2 VAL 49 0.228 4.737 1.903 363 HG22 VAL 49 1HG2 VAL 49 0.803 6.375 1.583 364 HG23 VAL 49 2HG2 VAL 49 -0.474 6.105 2.769 365 H ASP 50 H ASP 50 2.786 2.836 4.911 366 HA ASP 50 HA ASP 50 4.090 4.281 7.120 367 HB2 ASP 50 2HB ASP 50 2.610 2.548 8.081 368 HB3 ASP 50 1HB ASP 50 3.446 1.319 7.137 369 H GLY 51 H GLY 51 6.308 4.184 7.133 370 HA2 GLY 51 2HA GLY 51 8.409 3.139 6.605 371 HA3 GLY 51 1HA GLY 51 7.643 2.361 5.230 372 H GLU 52 H GLU 52 9.771 3.292 4.340 373 HA GLU 52 HA GLU 52 9.094 5.632 2.781 374 HB2 GLU 52 2HB GLU 52 10.041 6.612 4.864 375 HB3 GLU 52 1HB GLU 52 11.530 5.723 4.583 376 HG2 GLU 52 2HG GLU 52 11.740 8.052 3.902 377 HG3 GLU 52 1HG GLU 52 11.913 6.963 2.527 378 H VAL 53 H VAL 53 10.215 5.733 0.842 379 HA VAL 53 HA VAL 53 12.246 3.632 0.367 380 HB VAL 53 HB VAL 53 10.073 4.538 -1.546 381 HG11 VAL 53 1HG1 VAL 53 12.288 2.519 -1.972 382 HG12 VAL 53 2HG1 VAL 53 12.167 4.101 -2.742 383 HG13 VAL 53 3HG1 VAL 53 10.971 2.854 -3.095 384 HG21 VAL 53 3HG2 VAL 53 9.269 2.229 -1.391 385 HG22 VAL 53 1HG2 VAL 53 9.260 3.012 0.191 386 HG23 VAL 53 2HG2 VAL 53 10.532 1.861 -0.217 387 H ASP 54 H ASP 54 14.159 4.430 -0.252 388 HA ASP 54 HA ASP 54 14.397 7.207 -1.048 389 HB2 ASP 54 2HB ASP 54 16.509 5.071 -0.659 390 HB3 ASP 54 1HB ASP 54 16.834 6.777 -0.960 391 H THR 55 H THR 55 14.759 7.966 -3.044 392 HA THR 55 HA THR 55 15.199 6.084 -5.265 393 HB THR 55 HB THR 55 14.674 8.040 -6.739 394 HG1 THR 55 HG1 THR 55 13.645 9.432 -4.521 395 HG21 THR 55 3HG2 THR 55 12.902 6.461 -6.093 396 HG22 THR 55 1HG2 THR 55 12.269 8.099 -6.261 397 HG23 THR 55 2HG2 THR 55 12.564 7.428 -4.657 398 H THR 56 H THR 56 16.940 7.947 -3.185 399 HA THR 56 HA THR 56 19.004 8.787 -5.087 400 HB THR 56 HB THR 56 20.070 9.815 -3.031 401 HG1 THR 56 HG1 THR 56 17.681 9.717 -1.636 402 HG21 THR 56 3HG2 THR 56 18.454 11.668 -2.891 403 HG22 THR 56 1HG2 THR 56 17.239 10.666 -3.685 404 HG23 THR 56 2HG2 THR 56 18.693 11.148 -4.560 405 H LYS 57 H LYS 57 18.451 6.354 -2.633 406 HA LYS 57 HA LYS 57 21.196 5.336 -3.052 407 HB2 LYS 57 2HB LYS 57 20.901 6.179 -0.756 408 HB3 LYS 57 1HB LYS 57 19.511 5.124 -0.538 409 HG2 LYS 57 2HG LYS 57 20.997 3.164 -0.868 410 HG3 LYS 57 1HG LYS 57 22.375 4.263 -0.957 411 HD2 LYS 57 2HD LYS 57 21.906 5.037 1.326 412 HD3 LYS 57 1HD LYS 57 20.513 3.957 1.408 413 HE2 LYS 57 2HE LYS 57 22.044 2.030 1.066 414 HE3 LYS 57 1HE LYS 57 23.410 3.144 1.118 415 HZ1 LYS 57 3HZ LYS 57 21.468 2.670 3.312 416 HZ2 LYS 57 1HZ LYS 57 22.766 3.751 3.371 417 HZ3 LYS 57 2HZ LYS 57 23.055 2.089 3.253 418 H ALA 58 H ALA 58 21.444 3.152 -3.465 419 HA ALA 58 HA ALA 58 19.088 1.754 -4.397 420 HB1 ALA 58 3HB ALA 58 21.202 1.705 -5.656 421 HB2 ALA 58 1HB ALA 58 20.633 0.088 -5.240 422 HB3 ALA 58 2HB ALA 58 21.956 0.819 -4.333 423 H GLY 59 H GLY 59 17.947 0.259 -3.331 424 HA2 GLY 59 2HA GLY 59 18.859 -1.764 -1.691 425 HA3 GLY 59 1HA GLY 59 18.523 -0.417 -0.612 426 H THR 60 H THR 60 17.181 -2.936 -0.558 427 HA THR 60 HA THR 60 14.545 -2.469 -1.699 428 HB THR 60 HB THR 60 15.597 -4.735 0.009 429 HG1 THR 60 HG1 THR 60 14.666 -5.022 -2.625 430 HG21 THR 60 3HG2 THR 60 13.495 -5.902 -0.505 431 HG22 THR 60 1HG2 THR 60 12.881 -4.453 -1.301 432 HG23 THR 60 2HG2 THR 60 13.200 -4.439 0.435 433 H TYR 61 H TYR 61 12.932 -1.475 -0.692 434 HA TYR 61 HA TYR 61 12.880 -1.385 2.260 435 HB2 TYR 61 2HB TYR 61 11.969 0.818 0.382 436 HB3 TYR 61 1HB TYR 61 11.925 0.866 2.142 437 HD1 TYR 61 HD1 TYR 61 14.169 0.737 3.390 438 HD2 TYR 61 HD2 TYR 61 13.881 1.567 -0.781 439 HE1 TYR 61 HE1 TYR 61 16.430 1.699 3.427 440 HE2 TYR 61 HE2 TYR 61 16.145 2.530 -0.748 441 HH TYR 61 HH TYR 61 17.701 3.523 0.847 442 H VAL 62 H VAL 62 10.931 -1.876 3.218 443 HA VAL 62 HA VAL 62 8.794 -2.778 1.386 444 HB VAL 62 HB VAL 62 9.357 -3.715 4.212 445 HG11 VAL 62 1HG1 VAL 62 7.719 -5.485 3.726 446 HG12 VAL 62 2HG1 VAL 62 7.392 -4.750 2.156 447 HG13 VAL 62 3HG1 VAL 62 6.986 -3.883 3.638 448 HG21 VAL 62 3HG2 VAL 62 11.111 -4.440 2.683 449 HG22 VAL 62 1HG2 VAL 62 9.903 -5.064 1.559 450 HG23 VAL 62 2HG2 VAL 62 10.103 -5.812 3.144 451 H LEU 63 H LEU 63 7.108 -1.436 1.288 452 HA LEU 63 HA LEU 63 6.470 0.356 3.503 453 HB2 LEU 63 2HB LEU 63 5.232 0.087 0.755 454 HB3 LEU 63 1HB LEU 63 4.833 1.332 1.926 455 HG LEU 63 HG LEU 63 7.514 0.963 0.573 456 HD11 LEU 63 1HD1 LEU 63 5.437 3.129 0.241 457 HD12 LEU 63 2HD1 LEU 63 5.774 1.841 -0.916 458 HD13 LEU 63 3HD1 LEU 63 7.006 3.052 -0.562 459 HD21 LEU 63 3HD2 LEU 63 6.595 3.065 2.537 460 HD22 LEU 63 1HD2 LEU 63 8.126 3.073 1.661 461 HD23 LEU 63 2HD2 LEU 63 7.792 1.806 2.838 462 H THR 64 H THR 64 4.616 0.294 4.726 463 HA THR 64 HA THR 64 2.875 -2.077 4.391 464 HB THR 64 HB THR 64 3.382 -0.483 6.924 465 HG1 THR 64 HG1 THR 64 5.176 -1.770 6.279 466 HG21 THR 64 3HG2 THR 64 1.843 -3.051 6.475 467 HG22 THR 64 1HG2 THR 64 1.147 -1.487 6.897 468 HG23 THR 64 2HG2 THR 64 2.188 -2.328 8.045 469 H TYR 65 H TYR 65 0.752 -1.805 4.034 470 HA TYR 65 HA TYR 65 -0.432 0.882 4.401 471 HB2 TYR 65 2HB TYR 65 -1.198 -1.145 2.280 472 HB3 TYR 65 1HB TYR 65 -1.817 0.496 2.445 473 HD1 TYR 65 HD2 TYR 65 -0.398 2.428 1.844 474 HD2 TYR 65 HD1 TYR 65 0.953 -1.576 1.282 475 HE1 TYR 65 HE2 TYR 65 1.399 3.240 0.378 476 HE2 TYR 65 HE1 TYR 65 2.750 -0.768 -0.182 477 HH TYR 65 HH TYR 65 3.610 2.499 -0.397 478 H THR 66 H THR 66 -2.266 0.969 5.609 479 HA THR 66 HA THR 66 -3.701 -1.537 6.201 480 HB THR 66 HB THR 66 -2.696 0.373 8.329 481 HG1 THR 66 HG1 THR 66 -1.616 -1.829 7.188 482 HG21 THR 66 3HG2 THR 66 -4.343 -2.156 8.581 483 HG22 THR 66 1HG2 THR 66 -4.895 -0.515 8.924 484 HG23 THR 66 2HG2 THR 66 -3.647 -1.253 9.927 485 H VAL 67 H VAL 67 -5.869 -1.348 6.400 486 HA VAL 67 HA VAL 67 -7.055 1.334 6.658 487 HB VAL 67 HB VAL 67 -6.971 0.796 4.255 488 HG11 VAL 67 1HG1 VAL 67 -7.046 -1.643 4.399 489 HG12 VAL 67 2HG1 VAL 67 -8.299 -1.030 3.322 490 HG13 VAL 67 3HG1 VAL 67 -8.720 -1.568 4.947 491 HG21 VAL 67 3HG2 VAL 67 -8.788 2.191 5.092 492 HG22 VAL 67 1HG2 VAL 67 -9.768 0.756 5.397 493 HG23 VAL 67 2HG2 VAL 67 -9.338 1.196 3.745 494 H THR 68 H THR 68 -9.085 1.398 7.642 495 HA THR 68 HA THR 68 -9.946 -1.092 8.969 496 HB THR 68 HB THR 68 -10.709 1.753 9.696 497 HG1 THR 68 HG1 THR 68 -9.048 0.393 11.424 498 HG21 THR 68 3HG2 THR 68 -10.982 -0.841 11.234 499 HG22 THR 68 1HG2 THR 68 -12.303 0.048 10.474 500 HG23 THR 68 2HG2 THR 68 -11.421 0.763 11.825 501 H ASP 69 H ASP 69 -12.010 -1.871 8.744 502 HA ASP 69 HA ASP 69 -13.580 -1.025 6.512 503 HB2 ASP 69 2HB ASP 69 -13.334 -3.390 7.461 504 HB3 ASP 69 1HB ASP 69 -14.454 -2.898 8.722 505 H SER 70 H SER 70 -15.997 -0.649 6.756 506 HA SER 70 HA SER 70 -16.545 1.625 8.347 507 HB2 SER 70 2HB SER 70 -17.754 1.172 6.260 508 HB3 SER 70 1HB SER 70 -18.473 -0.272 6.974 509 HG SER 70 HG SER 70 -19.136 2.385 7.293 510 H LYS 71 H LYS 71 -17.247 -1.828 8.804 511 HA LYS 71 HA LYS 71 -18.489 -1.240 11.403 512 HB2 LYS 71 2HB LYS 71 -18.624 -3.514 9.509 513 HB3 LYS 71 1HB LYS 71 -18.732 -3.921 11.211 514 HG2 LYS 71 2HG LYS 71 -20.931 -3.676 10.201 515 HG3 LYS 71 1HG LYS 71 -20.671 -2.485 11.470 516 HD2 LYS 71 2HD LYS 71 -20.002 -1.638 8.701 517 HD3 LYS 71 1HD LYS 71 -21.711 -1.890 9.051 518 HE2 LYS 71 2HE LYS 71 -21.525 -0.345 10.967 519 HE3 LYS 71 1HE LYS 71 -19.833 -0.064 10.561 520 HZ1 LYS 71 3HZ LYS 71 -21.264 1.682 9.705 521 HZ2 LYS 71 1HZ LYS 71 -22.152 0.552 8.814 522 HZ3 LYS 71 2HZ LYS 71 -20.531 0.839 8.437 523 H GLY 72 H GLY 72 -15.390 -1.696 10.425 524 HA2 GLY 72 2HA GLY 72 -13.882 -1.319 12.308 525 HA3 GLY 72 1HA GLY 72 -14.759 -2.544 13.193 526 H HIS 73 H HIS 73 -14.410 -4.014 10.259 527 HA HIS 73 HA HIS 73 -12.192 -5.593 11.131 528 HB2 HIS 73 2HB HIS 73 -13.805 -5.504 8.610 529 HB3 HIS 73 1HB HIS 73 -12.285 -6.390 8.617 530 HD1 HIS 73 HD1 HIS 73 -15.790 -6.688 9.516 531 HD2 HIS 73 HD2 HIS 73 -12.261 -8.589 10.557 532 HE1 HIS 73 HE1 HIS 73 -16.501 -8.852 10.541 533 HE2 HIS 73 HE2 HIS 73 -14.345 -10.023 11.126 534 H GLU 74 H GLU 74 -10.177 -4.828 11.243 535 HA GLU 74 HA GLU 74 -9.214 -2.915 9.230 536 HB2 GLU 74 2HB GLU 74 -8.910 -2.347 11.611 537 HB3 GLU 74 1HB GLU 74 -7.955 -3.806 11.837 538 HG2 GLU 74 2HG GLU 74 -6.286 -2.942 10.246 539 HG3 GLU 74 1HG GLU 74 -7.236 -1.467 10.074 540 H VAL 75 H VAL 75 -7.916 -3.547 7.604 541 HA VAL 75 HA VAL 75 -6.455 -6.109 7.860 542 HB VAL 75 HB VAL 75 -6.783 -6.481 5.441 543 HG11 VAL 75 1HG1 VAL 75 -9.152 -7.124 5.535 544 HG12 VAL 75 2HG1 VAL 75 -9.368 -6.124 6.972 545 HG13 VAL 75 3HG1 VAL 75 -8.313 -7.536 7.029 546 HG21 VAL 75 3HG2 VAL 75 -7.068 -4.174 4.710 547 HG22 VAL 75 1HG2 VAL 75 -8.591 -4.058 5.591 548 HG23 VAL 75 2HG2 VAL 75 -8.454 -5.142 4.206 549 H THR 76 H THR 76 -4.460 -6.284 6.632 550 HA THR 76 HA THR 76 -3.282 -3.720 5.790 551 HB THR 76 HB THR 76 -2.617 -3.980 8.124 552 HG1 THR 76 HG1 THR 76 -0.431 -3.690 7.777 553 HG21 THR 76 3HG2 THR 76 -1.186 -5.843 8.844 554 HG22 THR 76 1HG2 THR 76 -1.376 -6.601 7.262 555 HG23 THR 76 2HG2 THR 76 -2.771 -6.415 8.324 556 H ALA 77 H ALA 77 -1.584 -3.833 4.334 557 HA ALA 77 HA ALA 77 -0.584 -6.417 3.426 558 HB1 ALA 77 3HB ALA 77 -2.581 -6.118 2.066 559 HB2 ALA 77 1HB ALA 77 -1.132 -5.971 1.072 560 HB3 ALA 77 2HB ALA 77 -2.019 -4.527 1.559 561 H LYS 78 H LYS 78 1.376 -6.228 2.161 562 HA LYS 78 HA LYS 78 2.673 -3.597 2.521 563 HB2 LYS 78 2HB LYS 78 3.933 -6.325 2.869 564 HB3 LYS 78 1HB LYS 78 4.758 -4.780 3.048 565 HG2 LYS 78 2HG LYS 78 3.241 -4.212 4.911 566 HG3 LYS 78 1HG LYS 78 2.489 -5.799 4.757 567 HD2 LYS 78 2HD LYS 78 4.679 -6.850 5.247 568 HD3 LYS 78 1HD LYS 78 5.378 -5.245 5.462 569 HE2 LYS 78 2HE LYS 78 3.770 -4.820 7.288 570 HE3 LYS 78 1HE LYS 78 3.149 -6.460 7.098 571 HZ1 LYS 78 3HZ LYS 78 5.946 -5.764 7.818 572 HZ2 LYS 78 1HZ LYS 78 5.305 -7.327 7.709 573 HZ3 LYS 78 2HZ LYS 78 4.756 -6.269 8.907 574 H GLN 79 H GLN 79 4.536 -3.162 1.172 575 HA GLN 79 HA GLN 79 4.492 -4.518 -1.448 576 HB2 GLN 79 2HB GLN 79 3.198 -2.479 -1.700 577 HB3 GLN 79 1HB GLN 79 4.466 -1.528 -0.935 578 HG2 GLN 79 2HG GLN 79 5.946 -1.925 -2.813 579 HG3 GLN 79 1HG GLN 79 4.755 -2.985 -3.563 580 HE21 GLN 79 1HE2 GLN 79 3.892 -0.008 -1.933 581 HE22 GLN 79 2HE2 GLN 79 3.427 0.845 -3.354 582 H THR 80 H THR 80 6.456 -5.261 -1.948 583 HA THR 80 HA THR 80 8.808 -4.311 -0.497 584 HB THR 80 HB THR 80 8.636 -6.569 -2.513 585 HG1 THR 80 HG1 THR 80 7.397 -7.363 -0.955 586 HG21 THR 80 3HG2 THR 80 10.918 -5.800 -2.086 587 HG22 THR 80 1HG2 THR 80 10.661 -7.392 -1.370 588 HG23 THR 80 2HG2 THR 80 10.662 -5.954 -0.349 589 H VAL 81 H VAL 81 9.679 -2.476 -1.372 590 HA VAL 81 HA VAL 81 9.860 -2.256 -4.305 591 HB VAL 81 HB VAL 81 10.328 -0.075 -2.256 592 HG11 VAL 81 1HG1 VAL 81 9.914 0.047 -5.248 593 HG12 VAL 81 2HG1 VAL 81 11.431 0.329 -4.393 594 HG13 VAL 81 3HG1 VAL 81 10.077 1.438 -4.175 595 HG21 VAL 81 3HG2 VAL 81 8.090 0.743 -2.839 596 HG22 VAL 81 1HG2 VAL 81 8.020 -0.871 -2.132 597 HG23 VAL 81 2HG2 VAL 81 7.841 -0.664 -3.874 598 H THR 82 H THR 82 11.739 -2.910 -5.165 599 HA THR 82 HA THR 82 14.225 -2.707 -3.607 600 HB THR 82 HB THR 82 13.662 -4.253 -6.157 601 HG1 THR 82 HG1 THR 82 14.071 -6.033 -4.509 602 HG21 THR 82 3HG2 THR 82 16.024 -3.587 -6.009 603 HG22 THR 82 1HG2 THR 82 15.839 -5.324 -5.759 604 HG23 THR 82 2HG2 THR 82 16.116 -4.260 -4.380 605 H VAL 83 H VAL 83 15.325 -0.868 -3.917 606 HA VAL 83 HA VAL 83 15.304 0.469 -6.520 607 HB VAL 83 HB VAL 83 16.707 1.352 -3.987 608 HG11 VAL 83 1HG1 VAL 83 17.530 2.417 -6.029 609 HG12 VAL 83 2HG1 VAL 83 16.664 3.573 -5.019 610 HG13 VAL 83 3HG1 VAL 83 15.886 2.899 -6.450 611 HG21 VAL 83 3HG2 VAL 83 14.312 1.101 -3.545 612 HG22 VAL 83 1HG2 VAL 83 13.939 2.103 -4.948 613 HG23 VAL 83 2HG2 VAL 83 14.778 2.803 -3.563 614 H LYS 84 H LYS 84 17.015 0.473 -7.913 615 HA LYS 84 HA LYS 84 19.581 -0.658 -7.002 616 HB2 LYS 84 2HB LYS 84 19.739 -1.911 -9.155 617 HB3 LYS 84 1HB LYS 84 18.460 -2.479 -8.091 618 HG2 LYS 84 2HG LYS 84 16.868 -1.055 -9.450 619 HG3 LYS 84 1HG LYS 84 18.189 -0.833 -10.595 620 HD2 LYS 84 2HD LYS 84 16.972 -3.474 -9.769 621 HD3 LYS 84 1HD LYS 84 16.702 -2.639 -11.298 622 HE2 LYS 84 2HE LYS 84 19.083 -2.880 -11.845 623 HE3 LYS 84 1HE LYS 84 19.348 -3.718 -10.314 624 HZ1 LYS 84 3HZ LYS 84 19.111 -5.271 -12.148 625 HZ2 LYS 84 1HZ LYS 84 17.578 -4.653 -12.506 626 HZ3 LYS 84 2HZ LYS 84 17.847 -5.457 -11.043 627 H VAL 85 H VAL 85 21.436 -0.085 -8.260 628 HA VAL 85 HA VAL 85 21.366 2.704 -8.948 629 HB VAL 85 HB VAL 85 23.724 0.826 -9.238 630 HG11 VAL 85 1HG1 VAL 85 23.576 3.821 -8.852 631 HG12 VAL 85 2HG1 VAL 85 24.032 2.977 -10.332 632 HG13 VAL 85 3HG1 VAL 85 25.059 2.866 -8.903 633 HG21 VAL 85 3HG2 VAL 85 22.830 0.647 -6.973 634 HG22 VAL 85 1HG2 VAL 85 22.883 2.402 -6.803 635 HG23 VAL 85 2HG2 VAL 85 24.381 1.486 -6.972 636 H ARG 86 H ARG 86 21.914 3.683 -10.922 637 HA ARG 86 HA ARG 86 21.253 2.205 -13.314 638 HB2 ARG 86 2HB ARG 86 21.622 4.396 -14.465 639 HB3 ARG 86 1HB ARG 86 20.443 4.462 -13.163 640 HG2 ARG 86 2HG ARG 86 22.031 5.521 -11.698 641 HG3 ARG 86 1HG ARG 86 23.319 5.324 -12.887 642 HD2 ARG 86 2HD ARG 86 22.414 7.621 -12.847 643 HD3 ARG 86 1HD ARG 86 22.202 6.835 -14.412 644 HE ARG 86 HE ARG 86 19.853 6.327 -13.301 645 HH11 ARG 86 1HH1 ARG 86 21.653 9.272 -13.278 646 HH12 ARG 86 2HH1 ARG 86 20.231 10.253 -13.292 647 HH21 ARG 86 1HH2 ARG 86 18.048 7.614 -13.299 648 HH22 ARG 86 2HH2 ARG 86 18.231 9.334 -13.280 649 H GLU 87 H GLU 87 24.172 3.713 -11.970 650 HA GLU 87 HA GLU 87 25.804 2.547 -14.125 651 HB2 GLU 87 2HB GLU 87 26.578 4.571 -11.999 652 HB3 GLU 87 1HB GLU 87 27.574 4.060 -13.355 653 HG2 GLU 87 2HG GLU 87 26.053 5.081 -14.926 654 HG3 GLU 87 1HG GLU 87 24.926 5.477 -13.630 655 H GLU 88 H GLU 88 26.767 0.630 -13.696 656 HA GLU 88 HA GLU 88 26.773 -0.435 -11.027 657 HB2 GLU 88 2HB GLU 88 27.801 -2.451 -12.056 658 HB3 GLU 88 1HB GLU 88 26.314 -1.946 -12.842 659 HG2 GLU 88 2HG GLU 88 27.625 -0.909 -14.640 660 HG3 GLU 88 1HG GLU 88 29.110 -1.445 -13.857 661 H VAL 89 H VAL 89 28.100 1.032 -9.895 662 HA VAL 89 HA VAL 89 30.833 1.482 -10.544 663 HB VAL 89 HB VAL 89 29.490 1.771 -7.845 664 HG11 VAL 89 1HG1 VAL 89 31.301 3.357 -7.349 665 HG12 VAL 89 2HG1 VAL 89 32.044 2.995 -8.907 666 HG13 VAL 89 3HG1 VAL 89 31.928 1.740 -7.673 667 HG21 VAL 89 3HG2 VAL 89 28.340 3.075 -9.567 668 HG22 VAL 89 1HG2 VAL 89 29.869 3.815 -10.040 669 HG23 VAL 89 2HG2 VAL 89 29.194 4.130 -8.441 670 H LYS 90 H LYS 90 32.026 -0.335 -10.801 671 HA LYS 90 HA LYS 90 32.188 -2.262 -8.568 672 HB2 LYS 90 2HB LYS 90 33.144 -3.821 -10.191 673 HB3 LYS 90 1HB LYS 90 31.593 -3.213 -10.753 674 HG2 LYS 90 2HG LYS 90 32.829 -1.571 -12.179 675 HG3 LYS 90 1HG LYS 90 34.328 -2.370 -11.707 676 HD2 LYS 90 2HD LYS 90 33.596 -3.212 -13.860 677 HD3 LYS 90 1HD LYS 90 33.463 -4.489 -12.649 678 HE2 LYS 90 2HE LYS 90 31.064 -4.022 -12.429 679 HE3 LYS 90 1HE LYS 90 31.196 -2.762 -13.656 680 HZ1 LYS 90 3HZ LYS 90 31.716 -5.656 -14.059 681 HZ2 LYS 90 1HZ LYS 90 31.894 -4.460 -15.241 682 HZ3 LYS 90 2HZ LYS 90 30.366 -4.793 -14.612 683 H ASN 91 H ASN 91 33.576 0.440 -9.056 684 HA ASN 91 HA ASN 91 36.353 -0.177 -9.495 685 HB2 ASN 91 2HB ASN 91 35.048 2.408 -8.618 686 HB3 ASN 91 1HB ASN 91 36.699 2.232 -9.213 687 HD21 ASN 91 1HD2 ASN 91 37.044 1.898 -11.400 688 HD22 ASN 91 2HD2 ASN 91 35.801 2.105 -12.579 689 H ASP 92 H ASP 92 34.539 -0.725 -6.846 690 HA ASP 92 HA ASP 92 35.061 -1.349 -4.736 691 HB2 ASP 92 2HB ASP 92 37.137 -2.251 -5.682 692 HB3 ASP 92 1HB ASP 92 37.914 -0.684 -5.496 693 H LYS 93 H LYS 93 35.590 1.821 -5.836 694 HA LYS 93 HA LYS 93 36.387 3.121 -3.476 695 HB2 LYS 93 2HB LYS 93 34.800 4.026 -5.868 696 HB3 LYS 93 1HB LYS 93 34.984 5.088 -4.481 697 HG2 LYS 93 2HG LYS 93 36.635 5.642 -6.129 698 HG3 LYS 93 1HG LYS 93 37.436 4.940 -4.723 699 HD2 LYS 93 2HD LYS 93 37.598 2.787 -5.895 700 HD3 LYS 93 1HD LYS 93 36.785 3.490 -7.295 701 HE2 LYS 93 2HE LYS 93 38.632 5.076 -7.570 702 HE3 LYS 93 1HE LYS 93 39.441 4.383 -6.164 703 HZ1 LYS 93 3HZ LYS 93 39.601 2.278 -7.328 704 HZ2 LYS 93 1HZ LYS 93 40.331 3.504 -8.237 705 HZ3 LYS 93 2HZ LYS 93 38.809 2.924 -8.678 706 HA PRO 94 HA PRO 94 32.941 2.078 -0.822 707 HB2 PRO 94 2HB PRO 94 33.446 4.066 1.063 708 HB3 PRO 94 1HB PRO 94 34.189 2.464 1.039 709 HG2 PRO 94 2HG PRO 94 35.257 5.063 0.007 710 HG3 PRO 94 1HG PRO 94 36.101 3.771 0.881 711 HD2 PRO 94 2HD PRO 94 36.377 4.046 -1.763 712 HD3 PRO 94 1HD PRO 94 36.281 2.432 -1.023 713 H ILE 95 H ILE 95 30.863 2.802 -0.441 714 HA ILE 95 HA ILE 95 30.055 5.140 -1.986 715 HB ILE 95 HB ILE 95 27.745 4.371 -1.614 716 HG12 ILE 95 2HG1 ILE 95 29.027 2.115 -0.040 717 HG13 ILE 95 1HG1 ILE 95 28.076 3.424 0.651 718 HG21 ILE 95 1HG2 ILE 95 27.888 2.277 -2.885 719 HG22 ILE 95 2HG2 ILE 95 29.610 2.173 -2.519 720 HG23 ILE 95 3HG2 ILE 95 28.999 3.493 -3.516 721 HD11 ILE 95 3HD1 ILE 95 27.071 1.320 -1.256 722 HD12 ILE 95 1HD1 ILE 95 26.112 2.637 -0.578 723 HD13 ILE 95 2HD1 ILE 95 26.774 1.393 0.480 724 H LEU 96 H LEU 96 28.393 6.628 -1.123 725 HA LEU 96 HA LEU 96 27.475 8.060 0.375 726 HB2 LEU 96 2HB LEU 96 26.911 5.962 1.607 727 HB3 LEU 96 1HB LEU 96 28.399 6.139 2.517 728 HG LEU 96 HG LEU 96 27.557 8.281 3.444 729 HD11 LEU 96 1HD1 LEU 96 25.202 8.878 3.171 730 HD12 LEU 96 2HD1 LEU 96 25.002 7.572 2.003 731 HD13 LEU 96 3HD1 LEU 96 26.065 8.931 1.633 732 HD21 LEU 96 3HD2 LEU 96 25.709 5.932 3.863 733 HD22 LEU 96 1HD2 LEU 96 25.898 7.312 4.947 734 HD23 LEU 96 2HD2 LEU 96 27.245 6.204 4.688 735 H GLU 97 H GLU 97 30.708 7.556 0.095 736 HA GLU 97 HA GLU 97 31.354 9.786 1.922 737 HB2 GLU 97 2HB GLU 97 33.174 7.548 0.993 738 HB3 GLU 97 1HB GLU 97 33.682 8.925 1.966 739 HG2 GLU 97 2HG GLU 97 32.019 8.177 3.703 740 HG3 GLU 97 1HG GLU 97 31.795 6.709 2.753 Start of MODEL 8 1 H1 MET 1 1H MET 1 -34.277 -1.806 10.054 2 H2 MET 1 2H MET 1 -33.473 -2.924 9.067 3 H3 MET 1 3H MET 1 -32.592 -1.937 10.114 4 HA MET 1 HA MET 1 -32.765 -4.184 10.957 5 HB2 MET 1 2HB MET 1 -34.310 -2.136 12.566 6 HB3 MET 1 1HB MET 1 -33.609 -3.613 13.217 7 HG2 MET 1 2HG MET 1 -31.374 -2.818 12.560 8 HG3 MET 1 1HG MET 1 -32.096 -1.320 11.976 9 HE1 MET 1 3HE MET 1 -29.698 -1.404 14.084 10 HE2 MET 1 1HE MET 1 -30.234 -0.176 15.230 11 HE3 MET 1 2HE MET 1 -30.433 0.092 13.499 12 H GLY 2 H GLY 2 -33.995 -5.954 11.570 13 HA2 GLY 2 2HA GLY 2 -36.252 -6.979 11.787 14 HA3 GLY 2 1HA GLY 2 -36.744 -5.952 10.443 15 H ASN 3 H ASN 3 -34.922 -6.165 8.583 16 HA ASN 3 HA ASN 3 -34.346 -9.031 8.151 17 HB2 ASN 3 2HB ASN 3 -34.617 -6.757 6.164 18 HB3 ASN 3 1HB ASN 3 -34.013 -8.355 5.738 19 HD21 ASN 3 1HD2 ASN 3 -35.661 -8.820 4.334 20 HD22 ASN 3 2HD2 ASN 3 -37.289 -9.088 4.848 21 H GLY 4 H GLY 4 -32.387 -9.297 9.138 22 HA2 GLY 4 2HA GLY 4 -30.200 -7.471 8.309 23 HA3 GLY 4 1HA GLY 4 -30.302 -8.196 9.905 24 H GLU 5 H GLU 5 -28.688 -9.585 10.109 25 HA GLU 5 HA GLU 5 -27.251 -11.300 9.777 26 HB2 GLU 5 2HB GLU 5 -29.327 -12.182 7.764 27 HB3 GLU 5 1HB GLU 5 -27.949 -13.161 8.252 28 HG2 GLU 5 2HG GLU 5 -28.777 -13.063 10.593 29 HG3 GLU 5 1HG GLU 5 -30.206 -12.211 10.013 30 H THR 6 H THR 6 -27.301 -8.819 7.932 31 HA THR 6 HA THR 6 -25.761 -9.721 5.648 32 HB THR 6 HB THR 6 -25.402 -7.279 5.221 33 HG1 THR 6 HG1 THR 6 -25.566 -6.655 7.494 34 HG21 THR 6 3HG2 THR 6 -27.347 -8.405 4.252 35 HG22 THR 6 1HG2 THR 6 -27.744 -6.743 4.690 36 HG23 THR 6 2HG2 THR 6 -28.279 -8.077 5.712 37 H SER 7 H SER 7 -23.962 -10.745 6.404 38 HA SER 7 HA SER 7 -22.451 -10.119 8.650 39 HB2 SER 7 2HB SER 7 -22.308 -12.278 7.498 40 HB3 SER 7 1HB SER 7 -21.535 -11.509 6.115 41 HG SER 7 HG SER 7 -20.382 -11.208 8.665 42 H ASP 8 H ASP 8 -20.822 -8.762 9.124 43 HA ASP 8 HA ASP 8 -20.157 -6.649 7.310 44 HB2 ASP 8 2HB ASP 8 -20.320 -6.166 9.673 45 HB3 ASP 8 1HB ASP 8 -19.063 -7.344 10.041 46 H LEU 9 H LEU 9 -18.623 -6.611 5.850 47 HA LEU 9 HA LEU 9 -16.616 -8.742 5.775 48 HB2 LEU 9 2HB LEU 9 -17.355 -6.672 3.695 49 HB3 LEU 9 1HB LEU 9 -16.243 -8.009 3.457 50 HG LEU 9 HG LEU 9 -19.212 -8.256 3.986 51 HD11 LEU 9 1HD1 LEU 9 -19.349 -9.058 1.689 52 HD12 LEU 9 2HD1 LEU 9 -17.619 -8.784 1.475 53 HD13 LEU 9 3HD1 LEU 9 -18.701 -7.418 1.744 54 HD21 LEU 9 3HD2 LEU 9 -18.895 -10.645 3.563 55 HD22 LEU 9 1HD2 LEU 9 -17.967 -10.116 4.966 56 HD23 LEU 9 2HD2 LEU 9 -17.154 -10.397 3.426 57 H GLU 10 H GLU 10 -14.468 -8.392 6.029 58 HA GLU 10 HA GLU 10 -13.481 -5.772 6.707 59 HB2 GLU 10 2HB GLU 10 -11.238 -6.902 6.780 60 HB3 GLU 10 1HB GLU 10 -12.441 -7.572 7.867 61 HG2 GLU 10 2HG GLU 10 -11.885 -8.795 5.179 62 HG3 GLU 10 1HG GLU 10 -10.924 -9.191 6.600 63 HA PRO 11 HA PRO 11 -12.808 -4.142 2.763 64 HB2 PRO 11 2HB PRO 11 -10.212 -3.022 3.669 65 HB3 PRO 11 1HB PRO 11 -11.652 -2.193 3.072 66 HG2 PRO 11 2HG PRO 11 -11.000 -2.139 5.664 67 HG3 PRO 11 1HG PRO 11 -12.695 -2.228 5.142 68 HD2 PRO 11 2HD PRO 11 -10.915 -4.398 6.193 69 HD3 PRO 11 1HD PRO 11 -12.633 -4.092 6.520 70 H LYS 12 H LYS 12 -11.954 -4.644 0.827 71 HA LYS 12 HA LYS 12 -9.757 -6.510 0.602 72 HB2 LYS 12 2HB LYS 12 -11.515 -6.840 -0.964 73 HB3 LYS 12 1HB LYS 12 -11.580 -5.135 -1.377 74 HG2 LYS 12 2HG LYS 12 -10.617 -6.359 -3.203 75 HG3 LYS 12 1HG LYS 12 -9.378 -5.341 -2.475 76 HD2 LYS 12 2HD LYS 12 -8.492 -7.294 -1.267 77 HD3 LYS 12 1HD LYS 12 -9.733 -8.309 -2.006 78 HE2 LYS 12 2HE LYS 12 -8.821 -7.690 -4.244 79 HE3 LYS 12 1HE LYS 12 -7.520 -6.820 -3.429 80 HZ1 LYS 12 3HZ LYS 12 -6.910 -9.079 -4.149 81 HZ2 LYS 12 1HZ LYS 12 -8.067 -9.718 -3.099 82 HZ3 LYS 12 2HZ LYS 12 -6.744 -8.866 -2.481 83 H LEU 13 H LEU 13 -7.892 -5.515 1.249 84 HA LEU 13 HA LEU 13 -7.133 -2.916 0.171 85 HB2 LEU 13 2HB LEU 13 -6.716 -3.439 2.535 86 HB3 LEU 13 1HB LEU 13 -5.706 -4.792 2.066 87 HG LEU 13 HG LEU 13 -4.089 -3.222 1.047 88 HD11 LEU 13 1HD1 LEU 13 -4.285 -0.829 1.427 89 HD12 LEU 13 2HD1 LEU 13 -5.857 -1.062 2.191 90 HD13 LEU 13 3HD1 LEU 13 -5.647 -1.423 0.477 91 HD21 LEU 13 3HD2 LEU 13 -4.766 -2.608 3.928 92 HD22 LEU 13 1HD2 LEU 13 -3.221 -2.284 3.140 93 HD23 LEU 13 2HD2 LEU 13 -3.769 -3.946 3.356 94 H THR 14 H THR 14 -6.433 -2.974 -1.895 95 HA THR 14 HA THR 14 -4.926 -5.259 -2.892 96 HB THR 14 HB THR 14 -5.883 -2.765 -4.322 97 HG1 THR 14 HG1 THR 14 -7.136 -4.765 -5.302 98 HG21 THR 14 3HG2 THR 14 -4.641 -5.289 -5.444 99 HG22 THR 14 1HG2 THR 14 -3.899 -3.691 -5.422 100 HG23 THR 14 2HG2 THR 14 -5.340 -3.979 -6.396 101 H VAL 15 H VAL 15 -2.840 -5.316 -2.467 102 HA VAL 15 HA VAL 15 -1.188 -2.908 -2.903 103 HB VAL 15 HB VAL 15 -0.783 -4.998 -0.738 104 HG11 VAL 15 1HG1 VAL 15 1.339 -4.169 -1.612 105 HG12 VAL 15 2HG1 VAL 15 1.067 -3.585 0.030 106 HG13 VAL 15 3HG1 VAL 15 0.815 -2.505 -1.343 107 HG21 VAL 15 3HG2 VAL 15 -2.630 -3.475 -0.211 108 HG22 VAL 15 1HG2 VAL 15 -1.570 -2.090 -0.473 109 HG23 VAL 15 2HG2 VAL 15 -1.253 -3.206 0.857 110 HA PRO 16 HA PRO 16 0.944 -5.791 -5.642 111 HB2 PRO 16 2HB PRO 16 3.112 -4.232 -6.208 112 HB3 PRO 16 1HB PRO 16 1.531 -3.995 -6.957 113 HG2 PRO 16 2HG PRO 16 2.781 -2.530 -4.667 114 HG3 PRO 16 1HG PRO 16 1.849 -1.885 -6.032 115 HD2 PRO 16 2HD PRO 16 0.778 -2.256 -3.559 116 HD3 PRO 16 1HD PRO 16 -0.175 -2.402 -5.047 117 H VAL 17 H VAL 17 2.111 -7.495 -4.953 118 HA VAL 17 HA VAL 17 3.310 -7.541 -2.405 119 HB VAL 17 HB VAL 17 2.344 -9.533 -3.486 120 HG11 VAL 17 1HG1 VAL 17 4.793 -9.439 -5.255 121 HG12 VAL 17 2HG1 VAL 17 3.116 -9.221 -5.761 122 HG13 VAL 17 3HG1 VAL 17 3.660 -10.789 -5.159 123 HG21 VAL 17 3HG2 VAL 17 4.043 -11.146 -2.750 124 HG22 VAL 17 1HG2 VAL 17 3.869 -9.817 -1.604 125 HG23 VAL 17 2HG2 VAL 17 5.246 -9.857 -2.705 126 H GLY 18 H GLY 18 4.689 -6.912 -5.567 127 HA2 GLY 18 2HA GLY 18 7.222 -6.211 -4.288 128 HA3 GLY 18 1HA GLY 18 7.288 -7.476 -5.502 129 H ALA 19 H ALA 19 8.409 -4.688 -5.363 130 HA ALA 19 HA ALA 19 7.716 -3.937 -8.099 131 HB1 ALA 19 3HB ALA 19 7.502 -1.956 -5.822 132 HB2 ALA 19 1HB ALA 19 6.151 -2.624 -6.739 133 HB3 ALA 19 2HB ALA 19 7.331 -1.586 -7.538 134 H THR 20 H THR 20 9.390 -2.884 -9.185 135 HA THR 20 HA THR 20 11.855 -2.371 -7.635 136 HB THR 20 HB THR 20 11.773 -3.732 -10.346 137 HG1 THR 20 HG1 THR 20 12.895 -5.342 -8.664 138 HG21 THR 20 3HG2 THR 20 14.185 -4.072 -9.978 139 HG22 THR 20 1HG2 THR 20 14.088 -3.135 -8.489 140 HG23 THR 20 2HG2 THR 20 13.775 -2.358 -10.043 141 H ILE 21 H ILE 21 12.829 -0.473 -8.046 142 HA ILE 21 HA ILE 21 12.245 0.945 -10.565 143 HB ILE 21 HB ILE 21 12.112 3.100 -9.332 144 HG12 ILE 21 2HG1 ILE 21 12.024 1.322 -6.875 145 HG13 ILE 21 1HG1 ILE 21 13.314 2.445 -7.293 146 HG21 ILE 21 1HG2 ILE 21 9.819 2.812 -8.496 147 HG22 ILE 21 2HG2 ILE 21 10.034 1.062 -8.517 148 HG23 ILE 21 3HG2 ILE 21 10.062 1.972 -10.027 149 HD11 ILE 21 3HD1 ILE 21 11.876 3.350 -5.564 150 HD12 ILE 21 1HD1 ILE 21 10.474 3.187 -6.619 151 HD13 ILE 21 2HD1 ILE 21 11.765 4.315 -7.036 152 H HIS 22 H HIS 22 13.781 3.008 -10.646 153 HA HIS 22 HA HIS 22 16.475 2.113 -9.806 154 HB2 HIS 22 2HB HIS 22 15.682 3.628 -12.305 155 HB3 HIS 22 1HB HIS 22 17.335 3.240 -11.843 156 HD1 HIS 22 HD1 HIS 22 14.192 1.675 -13.169 157 HD2 HIS 22 HD2 HIS 22 18.119 0.601 -12.318 158 HE1 HIS 22 HE1 HIS 22 14.520 -0.584 -14.218 159 HE2 HIS 22 HE2 HIS 22 16.929 -1.161 -13.791 160 H VAL 23 H VAL 23 18.060 3.776 -9.397 161 HA VAL 23 HA VAL 23 17.187 5.916 -7.807 162 HB VAL 23 HB VAL 23 19.858 5.557 -9.195 163 HG11 VAL 23 1HG1 VAL 23 20.746 7.121 -7.508 164 HG12 VAL 23 2HG1 VAL 23 19.106 7.410 -6.926 165 HG13 VAL 23 3HG1 VAL 23 19.558 7.892 -8.561 166 HG21 VAL 23 3HG2 VAL 23 18.974 4.879 -6.386 167 HG22 VAL 23 1HG2 VAL 23 20.608 4.694 -7.024 168 HG23 VAL 23 2HG2 VAL 23 19.289 3.724 -7.681 169 H GLY 24 H GLY 24 16.109 7.681 -8.446 170 HA2 GLY 24 2HA GLY 24 16.186 9.791 -9.699 171 HA3 GLY 24 1HA GLY 24 16.752 8.873 -11.088 172 H ASP 25 H ASP 25 14.650 6.756 -10.190 173 HA ASP 25 HA ASP 25 12.543 7.646 -11.917 174 HB2 ASP 25 2HB ASP 25 12.759 5.225 -10.109 175 HB3 ASP 25 1HB ASP 25 11.442 5.494 -11.245 176 H SER 26 H SER 26 10.176 6.884 -10.838 177 HA SER 26 HA SER 26 9.827 8.493 -8.377 178 HB2 SER 26 2HB SER 26 7.952 8.518 -10.766 179 HB3 SER 26 1HB SER 26 7.749 9.432 -9.273 180 HG SER 26 HG SER 26 9.988 10.281 -9.927 181 H PHE 27 H PHE 27 7.950 7.928 -7.084 182 HA PHE 27 HA PHE 27 6.441 5.556 -7.720 183 HB2 PHE 27 2HB PHE 27 8.604 4.617 -6.919 184 HB3 PHE 27 1HB PHE 27 8.372 5.449 -5.386 185 HD1 PHE 27 HD2 PHE 27 7.253 2.684 -7.518 186 HD2 PHE 27 HD1 PHE 27 6.746 4.647 -3.770 187 HE1 PHE 27 HE2 PHE 27 5.982 0.752 -6.678 188 HE2 PHE 27 HE1 PHE 27 5.477 2.723 -2.932 189 HZ PHE 27 HZ PHE 27 5.091 0.772 -4.382 190 H VAL 28 H VAL 28 4.443 5.982 -7.007 191 HA VAL 28 HA VAL 28 4.112 7.504 -4.490 192 HB VAL 28 HB VAL 28 2.236 7.317 -6.860 193 HG11 VAL 28 1HG1 VAL 28 1.850 8.727 -4.210 194 HG12 VAL 28 2HG1 VAL 28 0.935 7.341 -4.806 195 HG13 VAL 28 3HG1 VAL 28 0.801 8.899 -5.619 196 HG21 VAL 28 3HG2 VAL 28 4.137 8.814 -7.203 197 HG22 VAL 28 1HG2 VAL 28 3.769 9.649 -5.697 198 HG23 VAL 28 2HG2 VAL 28 2.641 9.733 -7.050 199 HA PRO 29 HA PRO 29 2.779 3.463 -2.982 200 HB2 PRO 29 2HB PRO 29 2.035 4.413 -0.482 201 HB3 PRO 29 1HB PRO 29 3.665 3.906 -0.933 202 HG2 PRO 29 2HG PRO 29 2.497 6.663 -0.829 203 HG3 PRO 29 1HG PRO 29 4.101 6.106 -0.312 204 HD2 PRO 29 2HD PRO 29 3.765 7.405 -2.629 205 HD3 PRO 29 1HD PRO 29 4.921 6.060 -2.495 206 H MET 30 H MET 30 0.797 6.409 -2.644 207 HA MET 30 HA MET 30 -1.606 4.912 -2.086 208 HB2 MET 30 2HB MET 30 -1.104 7.841 -2.608 209 HB3 MET 30 1HB MET 30 -2.709 7.189 -2.306 210 HG2 MET 30 2HG MET 30 -0.530 6.629 -0.347 211 HG3 MET 30 1HG MET 30 -1.273 8.224 -0.370 212 HE1 MET 30 3HE MET 30 -3.546 4.305 0.621 213 HE2 MET 30 1HE MET 30 -1.841 4.381 0.178 214 HE3 MET 30 2HE MET 30 -3.085 4.673 -1.041 215 H ALA 31 H ALA 31 0.022 5.723 -4.952 216 HA ALA 31 HA ALA 31 -2.379 5.671 -6.611 217 HB1 ALA 31 3HB ALA 31 -0.554 7.183 -7.229 218 HB2 ALA 31 1HB ALA 31 -0.844 5.986 -8.492 219 HB3 ALA 31 2HB ALA 31 0.534 5.806 -7.406 220 H GLU 32 H GLU 32 0.274 3.577 -5.669 221 HA GLU 32 HA GLU 32 -0.430 1.503 -7.567 222 HB2 GLU 32 2HB GLU 32 1.512 1.354 -5.249 223 HB3 GLU 32 1HB GLU 32 1.424 0.257 -6.619 224 HG2 GLU 32 2HG GLU 32 2.191 3.174 -6.747 225 HG3 GLU 32 1HG GLU 32 3.309 1.813 -6.793 226 H VAL 33 H VAL 33 -1.440 2.399 -4.424 227 HA VAL 33 HA VAL 33 -2.438 -0.324 -3.840 228 HB VAL 33 HB VAL 33 -1.617 1.862 -1.916 229 HG11 VAL 33 1HG1 VAL 33 -3.592 0.734 -1.035 230 HG12 VAL 33 2HG1 VAL 33 -2.161 0.263 -0.117 231 HG13 VAL 33 3HG1 VAL 33 -2.840 -0.839 -1.314 232 HG21 VAL 33 3HG2 VAL 33 0.064 0.227 -1.191 233 HG22 VAL 33 1HG2 VAL 33 0.244 0.631 -2.898 234 HG23 VAL 33 2HG2 VAL 33 -0.501 -0.897 -2.428 235 H LEU 34 H LEU 34 -4.578 -0.619 -3.608 236 HA LEU 34 HA LEU 34 -6.331 1.726 -3.153 237 HB2 LEU 34 2HB LEU 34 -6.910 -0.657 -4.932 238 HB3 LEU 34 1HB LEU 34 -8.068 0.592 -4.523 239 HG LEU 34 HG LEU 34 -6.440 2.239 -5.643 240 HD11 LEU 34 1HD1 LEU 34 -4.977 1.291 -7.356 241 HD12 LEU 34 2HD1 LEU 34 -5.356 -0.335 -6.788 242 HD13 LEU 34 3HD1 LEU 34 -4.488 0.786 -5.740 243 HD21 LEU 34 3HD2 LEU 34 -8.588 1.561 -6.601 244 HD22 LEU 34 1HD2 LEU 34 -7.820 0.156 -7.339 245 HD23 LEU 34 2HD2 LEU 34 -7.364 1.782 -7.849 246 H ALA 35 H ALA 35 -8.507 1.103 -2.237 247 HA ALA 35 HA ALA 35 -8.634 -1.491 -0.893 248 HB1 ALA 35 3HB ALA 35 -7.478 -0.090 0.734 249 HB2 ALA 35 1HB ALA 35 -9.088 -0.519 1.310 250 HB3 ALA 35 2HB ALA 35 -8.783 1.093 0.663 251 H ILE 36 H ILE 36 -10.617 -2.298 -1.138 252 HA ILE 36 HA ILE 36 -12.941 -0.475 -1.319 253 HB ILE 36 HB ILE 36 -12.448 -2.876 -3.104 254 HG12 ILE 36 2HG1 ILE 36 -11.032 -0.927 -3.716 255 HG13 ILE 36 1HG1 ILE 36 -12.219 -1.314 -4.958 256 HG21 ILE 36 1HG2 ILE 36 -14.799 -2.628 -2.625 257 HG22 ILE 36 2HG2 ILE 36 -14.490 -2.136 -4.289 258 HG23 ILE 36 3HG2 ILE 36 -14.743 -0.914 -3.043 259 HD11 ILE 36 3HD1 ILE 36 -12.364 0.933 -2.963 260 HD12 ILE 36 1HD1 ILE 36 -13.641 0.518 -4.107 261 HD13 ILE 36 2HD1 ILE 36 -12.070 1.061 -4.698 262 H ASP 37 H ASP 37 -14.619 -1.098 -0.001 263 HA ASP 37 HA ASP 37 -14.758 -3.939 0.823 264 HB2 ASP 37 2HB ASP 37 -14.511 -2.245 2.678 265 HB3 ASP 37 1HB ASP 37 -16.079 -1.590 2.218 266 H LYS 38 H LYS 38 -16.488 -5.109 0.234 267 HA LYS 38 HA LYS 38 -18.019 -4.321 -1.972 268 HB2 LYS 38 2HB LYS 38 -17.444 -6.649 -1.397 269 HB3 LYS 38 1HB LYS 38 -18.542 -6.580 -0.028 270 HG2 LYS 38 2HG LYS 38 -20.434 -6.276 -1.565 271 HG3 LYS 38 1HG LYS 38 -19.326 -6.355 -2.937 272 HD2 LYS 38 2HD LYS 38 -19.806 -8.561 -0.919 273 HD3 LYS 38 1HD LYS 38 -20.454 -8.505 -2.559 274 HE2 LYS 38 2HE LYS 38 -18.194 -8.582 -3.473 275 HE3 LYS 38 1HE LYS 38 -17.517 -8.567 -1.845 276 HZ1 LYS 38 3HZ LYS 38 -17.572 -10.793 -2.777 277 HZ2 LYS 38 1HZ LYS 38 -19.249 -10.702 -2.967 278 HZ3 LYS 38 2HZ LYS 38 -18.572 -10.692 -1.419 279 H GLU 39 H GLU 39 -18.720 -4.053 1.434 280 HA GLU 39 HA GLU 39 -21.562 -3.578 1.076 281 HB2 GLU 39 2HB GLU 39 -21.568 -3.185 3.499 282 HB3 GLU 39 1HB GLU 39 -20.700 -4.669 3.107 283 HG2 GLU 39 2HG GLU 39 -18.576 -3.426 3.260 284 HG3 GLU 39 1HG GLU 39 -19.476 -1.995 3.754 285 H ASP 40 H ASP 40 -18.691 -1.608 1.765 286 HA ASP 40 HA ASP 40 -20.328 0.795 2.096 287 HB2 ASP 40 2HB ASP 40 -18.522 0.096 3.749 288 HB3 ASP 40 1HB ASP 40 -17.342 0.514 2.512 289 H GLY 41 H GLY 41 -17.527 -0.318 0.205 290 HA2 GLY 41 2HA GLY 41 -17.552 0.348 -2.204 291 HA3 GLY 41 1HA GLY 41 -17.926 1.968 -1.635 292 H ASP 42 H ASP 42 -16.145 3.104 -2.256 293 HA ASP 42 HA ASP 42 -13.496 2.077 -2.099 294 HB2 ASP 42 2HB ASP 42 -14.121 3.815 -3.724 295 HB3 ASP 42 1HB ASP 42 -14.427 4.943 -2.408 296 H LEU 43 H LEU 43 -12.384 1.759 -0.313 297 HA LEU 43 HA LEU 43 -12.585 3.726 1.886 298 HB2 LEU 43 2HB LEU 43 -11.813 0.804 1.997 299 HB3 LEU 43 1HB LEU 43 -11.717 1.906 3.357 300 HG LEU 43 HG LEU 43 -14.244 1.037 1.937 301 HD11 LEU 43 1HD1 LEU 43 -14.790 -0.025 4.076 302 HD12 LEU 43 2HD1 LEU 43 -13.218 0.456 4.719 303 HD13 LEU 43 3HD1 LEU 43 -13.312 -0.688 3.378 304 HD21 LEU 43 3HD2 LEU 43 -14.473 3.344 2.635 305 HD22 LEU 43 1HD2 LEU 43 -13.875 2.948 4.248 306 HD23 LEU 43 2HD2 LEU 43 -15.423 2.306 3.697 307 H THR 44 H THR 44 -10.855 3.548 -0.637 308 HA THR 44 HA THR 44 -8.187 2.977 0.037 309 HB THR 44 HB THR 44 -9.166 4.976 -2.023 310 HG1 THR 44 HG1 THR 44 -9.951 3.180 -2.871 311 HG21 THR 44 3HG2 THR 44 -6.537 3.495 -1.802 312 HG22 THR 44 1HG2 THR 44 -6.777 5.227 -1.568 313 HG23 THR 44 2HG2 THR 44 -7.028 4.509 -3.160 314 H SER 45 H SER 45 -10.127 5.823 0.647 315 HA SER 45 HA SER 45 -7.897 7.518 1.340 316 HB2 SER 45 2HB SER 45 -10.050 8.438 0.509 317 HB3 SER 45 1HB SER 45 -10.835 7.888 1.989 318 HG SER 45 HG SER 45 -8.801 9.846 1.703 319 H LYS 46 H LYS 46 -9.537 5.014 2.932 320 HA LYS 46 HA LYS 46 -9.039 5.991 5.639 321 HB2 LYS 46 2HB LYS 46 -10.109 3.305 4.739 322 HB3 LYS 46 1HB LYS 46 -10.149 3.950 6.372 323 HG2 LYS 46 2HG LYS 46 -11.594 5.192 4.034 324 HG3 LYS 46 1HG LYS 46 -12.322 4.046 5.157 325 HD2 LYS 46 2HD LYS 46 -11.879 5.604 7.017 326 HD3 LYS 46 1HD LYS 46 -11.181 6.756 5.874 327 HE2 LYS 46 2HE LYS 46 -13.322 6.939 4.720 328 HE3 LYS 46 1HE LYS 46 -14.027 5.731 5.791 329 HZ1 LYS 46 3HZ LYS 46 -12.985 8.375 6.666 330 HZ2 LYS 46 1HZ LYS 46 -13.757 7.229 7.641 331 HZ3 LYS 46 2HZ LYS 46 -14.614 8.011 6.410 332 H ILE 47 H ILE 47 -7.011 4.897 3.424 333 HA ILE 47 HA ILE 47 -5.709 2.740 4.863 334 HB ILE 47 HB ILE 47 -4.822 4.168 2.344 335 HG12 ILE 47 2HG1 ILE 47 -6.263 1.518 2.653 336 HG13 ILE 47 1HG1 ILE 47 -6.990 3.011 2.066 337 HG21 ILE 47 1HG2 ILE 47 -3.374 2.201 1.995 338 HG22 ILE 47 2HG2 ILE 47 -3.860 1.577 3.572 339 HG23 ILE 47 3HG2 ILE 47 -2.955 3.087 3.461 340 HD11 ILE 47 3HD1 ILE 47 -4.763 1.476 0.734 341 HD12 ILE 47 1HD1 ILE 47 -5.456 2.992 0.155 342 HD13 ILE 47 2HD1 ILE 47 -6.450 1.538 0.226 343 H LYS 48 H LYS 48 -3.912 2.869 6.080 344 HA LYS 48 HA LYS 48 -2.525 5.443 6.381 345 HB2 LYS 48 2HB LYS 48 -3.265 4.301 8.441 346 HB3 LYS 48 1HB LYS 48 -2.322 2.884 7.995 347 HG2 LYS 48 2HG LYS 48 -0.296 4.468 8.013 348 HG3 LYS 48 1HG LYS 48 -1.352 5.586 8.880 349 HD2 LYS 48 2HD LYS 48 -1.722 3.922 10.619 350 HD3 LYS 48 1HD LYS 48 -0.734 2.755 9.736 351 HE2 LYS 48 2HE LYS 48 1.148 4.479 9.910 352 HE3 LYS 48 1HE LYS 48 0.141 5.285 11.114 353 HZ1 LYS 48 3HZ LYS 48 0.101 3.144 12.343 354 HZ2 LYS 48 1HZ LYS 48 1.643 3.831 12.225 355 HZ3 LYS 48 2HZ LYS 48 1.224 2.528 11.237 356 H VAL 49 H VAL 49 -0.343 5.671 5.841 357 HA VAL 49 HA VAL 49 0.873 3.396 4.392 358 HB VAL 49 HB VAL 49 1.417 6.352 4.015 359 HG11 VAL 49 1HG1 VAL 49 2.441 3.952 2.481 360 HG12 VAL 49 2HG1 VAL 49 3.392 4.999 3.536 361 HG13 VAL 49 3HG1 VAL 49 2.711 5.640 2.042 362 HG21 VAL 49 3HG2 VAL 49 -0.108 4.407 2.271 363 HG22 VAL 49 1HG2 VAL 49 0.294 6.070 1.839 364 HG23 VAL 49 2HG2 VAL 49 -0.797 5.748 3.188 365 H ASP 50 H ASP 50 2.355 2.401 5.586 366 HA ASP 50 HA ASP 50 4.138 3.959 7.335 367 HB2 ASP 50 2HB ASP 50 3.476 1.006 7.290 368 HB3 ASP 50 1HB ASP 50 4.680 1.729 8.352 369 H GLY 51 H GLY 51 6.316 4.002 7.006 370 HA2 GLY 51 2HA GLY 51 8.383 3.033 6.285 371 HA3 GLY 51 1HA GLY 51 7.512 2.150 5.047 372 H GLU 52 H GLU 52 9.579 3.174 3.994 373 HA GLU 52 HA GLU 52 8.632 5.242 2.238 374 HB2 GLU 52 2HB GLU 52 9.388 6.653 4.091 375 HB3 GLU 52 1HB GLU 52 10.964 5.871 4.072 376 HG2 GLU 52 2HG GLU 52 11.336 6.740 1.787 377 HG3 GLU 52 1HG GLU 52 9.787 7.576 1.875 378 H VAL 53 H VAL 53 9.784 5.349 0.318 379 HA VAL 53 HA VAL 53 12.069 3.491 0.027 380 HB VAL 53 HB VAL 53 10.009 4.259 -2.066 381 HG11 VAL 53 1HG1 VAL 53 12.342 2.344 -2.257 382 HG12 VAL 53 2HG1 VAL 53 12.214 3.911 -3.058 383 HG13 VAL 53 3HG1 VAL 53 11.114 2.605 -3.497 384 HG21 VAL 53 3HG2 VAL 53 9.329 1.897 -1.951 385 HG22 VAL 53 1HG2 VAL 53 9.090 2.730 -0.415 386 HG23 VAL 53 2HG2 VAL 53 10.463 1.643 -0.624 387 H ASP 54 H ASP 54 13.957 4.530 -0.343 388 HA ASP 54 HA ASP 54 14.026 7.279 -1.186 389 HB2 ASP 54 2HB ASP 54 16.293 5.296 -0.889 390 HB3 ASP 54 1HB ASP 54 16.471 7.036 -1.099 391 H THR 55 H THR 55 14.341 8.097 -3.187 392 HA THR 55 HA THR 55 14.796 6.248 -5.430 393 HB THR 55 HB THR 55 14.256 8.173 -6.896 394 HG1 THR 55 HG1 THR 55 13.313 10.046 -5.720 395 HG21 THR 55 3HG2 THR 55 12.450 6.691 -6.160 396 HG22 THR 55 1HG2 THR 55 11.875 8.352 -6.320 397 HG23 THR 55 2HG2 THR 55 12.210 7.685 -4.722 398 H THR 56 H THR 56 16.634 8.024 -3.362 399 HA THR 56 HA THR 56 18.714 8.658 -5.355 400 HB THR 56 HB THR 56 18.168 10.534 -3.918 401 HG1 THR 56 HG1 THR 56 20.225 11.021 -3.757 402 HG21 THR 56 3HG2 THR 56 18.918 8.747 -1.591 403 HG22 THR 56 1HG2 THR 56 17.293 9.311 -1.978 404 HG23 THR 56 2HG2 THR 56 18.533 10.464 -1.489 405 H LYS 57 H LYS 57 17.910 6.306 -3.040 406 HA LYS 57 HA LYS 57 20.692 5.325 -3.009 407 HB2 LYS 57 2HB LYS 57 20.203 6.289 -0.813 408 HB3 LYS 57 1HB LYS 57 18.764 5.285 -0.671 409 HG2 LYS 57 2HG LYS 57 20.120 3.279 -0.610 410 HG3 LYS 57 1HG LYS 57 21.582 4.222 -0.885 411 HD2 LYS 57 2HD LYS 57 21.467 3.663 1.445 412 HD3 LYS 57 1HD LYS 57 21.165 5.392 1.278 413 HE2 LYS 57 2HE LYS 57 18.929 3.377 1.475 414 HE3 LYS 57 1HE LYS 57 19.682 4.087 2.902 415 HZ1 LYS 57 3HZ LYS 57 18.250 5.546 0.754 416 HZ2 LYS 57 1HZ LYS 57 19.071 6.293 2.030 417 HZ3 LYS 57 2HZ LYS 57 17.726 5.315 2.340 418 H ALA 58 H ALA 58 20.924 3.315 -3.727 419 HA ALA 58 HA ALA 58 18.699 1.710 -4.515 420 HB1 ALA 58 3HB ALA 58 20.792 1.686 -5.754 421 HB2 ALA 58 1HB ALA 58 20.372 0.069 -5.194 422 HB3 ALA 58 2HB ALA 58 21.625 0.993 -4.363 423 H GLY 59 H GLY 59 17.952 -0.240 -3.664 424 HA2 GLY 59 2HA GLY 59 18.859 -1.944 -1.819 425 HA3 GLY 59 1HA GLY 59 18.412 -0.586 -0.797 426 H THR 60 H THR 60 17.178 -2.903 -0.264 427 HA THR 60 HA THR 60 14.563 -2.827 -1.619 428 HB THR 60 HB THR 60 15.753 -4.910 0.235 429 HG1 THR 60 HG1 THR 60 14.923 -5.286 -2.451 430 HG21 THR 60 3HG2 THR 60 13.752 -6.254 -0.248 431 HG22 THR 60 1HG2 THR 60 13.058 -4.900 -1.142 432 HG23 THR 60 2HG2 THR 60 13.330 -4.764 0.595 433 H TYR 61 H TYR 61 12.906 -1.828 -0.700 434 HA TYR 61 HA TYR 61 12.941 -1.316 2.212 435 HB2 TYR 61 2HB TYR 61 11.665 0.432 0.088 436 HB3 TYR 61 1HB TYR 61 11.838 0.802 1.801 437 HD1 TYR 61 HD1 TYR 61 14.008 1.512 2.713 438 HD2 TYR 61 HD2 TYR 61 13.553 0.636 -1.435 439 HE1 TYR 61 HE1 TYR 61 16.152 2.619 2.243 440 HE2 TYR 61 HE2 TYR 61 15.696 1.742 -1.906 441 HH TYR 61 HH TYR 61 17.231 3.231 -1.016 442 H VAL 62 H VAL 62 11.125 -1.852 3.361 443 HA VAL 62 HA VAL 62 8.975 -3.204 1.870 444 HB VAL 62 HB VAL 62 9.621 -3.361 4.825 445 HG11 VAL 62 1HG1 VAL 62 8.116 -5.317 4.815 446 HG12 VAL 62 2HG1 VAL 62 7.711 -4.983 3.131 447 HG13 VAL 62 3HG1 VAL 62 7.275 -3.826 4.389 448 HG21 VAL 62 3HG2 VAL 62 11.414 -4.318 3.459 449 HG22 VAL 62 1HG2 VAL 62 10.240 -5.327 2.610 450 HG23 VAL 62 2HG2 VAL 62 10.541 -5.578 4.331 451 H LEU 63 H LEU 63 7.225 -2.013 1.484 452 HA LEU 63 HA LEU 63 6.457 0.138 3.320 453 HB2 LEU 63 2HB LEU 63 5.369 -0.624 0.603 454 HB3 LEU 63 1HB LEU 63 4.846 0.762 1.543 455 HG LEU 63 HG LEU 63 7.619 0.351 0.400 456 HD11 LEU 63 1HD1 LEU 63 5.423 2.260 -0.401 457 HD12 LEU 63 2HD1 LEU 63 5.961 0.852 -1.316 458 HD13 LEU 63 3HD1 LEU 63 7.053 2.214 -1.073 459 HD21 LEU 63 3HD2 LEU 63 7.679 1.580 2.518 460 HD22 LEU 63 1HD2 LEU 63 6.469 2.707 1.904 461 HD23 LEU 63 2HD2 LEU 63 8.065 2.630 1.157 462 H THR 64 H THR 64 4.737 0.031 4.662 463 HA THR 64 HA THR 64 3.026 -2.383 4.511 464 HB THR 64 HB THR 64 3.629 -0.748 6.996 465 HG1 THR 64 HG1 THR 64 4.780 -2.943 7.407 466 HG21 THR 64 3HG2 THR 64 1.490 -2.004 7.037 467 HG22 THR 64 1HG2 THR 64 2.659 -2.626 8.202 468 HG23 THR 64 2HG2 THR 64 2.381 -3.488 6.691 469 H TYR 65 H TYR 65 0.853 -2.124 4.360 470 HA TYR 65 HA TYR 65 -0.269 0.591 4.709 471 HB2 TYR 65 2HB TYR 65 -1.139 -1.439 2.630 472 HB3 TYR 65 1HB TYR 65 -1.743 0.205 2.813 473 HD1 TYR 65 HD2 TYR 65 -0.352 2.132 2.138 474 HD2 TYR 65 HD1 TYR 65 0.982 -1.876 1.566 475 HE1 TYR 65 HE2 TYR 65 1.382 2.934 0.588 476 HE2 TYR 65 HE1 TYR 65 2.717 -1.084 0.019 477 HH TYR 65 HH TYR 65 3.618 2.135 -0.246 478 H THR 66 H THR 66 -2.231 0.753 5.753 479 HA THR 66 HA THR 66 -3.648 -1.726 6.487 480 HB THR 66 HB THR 66 -2.841 0.380 8.521 481 HG1 THR 66 HG1 THR 66 -1.294 -0.989 9.141 482 HG21 THR 66 3HG2 THR 66 -3.781 -1.164 10.172 483 HG22 THR 66 1HG2 THR 66 -4.280 -2.255 8.880 484 HG23 THR 66 2HG2 THR 66 -5.013 -0.657 9.016 485 H VAL 67 H VAL 67 -5.803 -1.501 6.165 486 HA VAL 67 HA VAL 67 -6.881 1.248 5.978 487 HB VAL 67 HB VAL 67 -6.841 0.162 3.799 488 HG11 VAL 67 1HG1 VAL 67 -8.203 -1.829 3.333 489 HG12 VAL 67 2HG1 VAL 67 -8.569 -1.971 5.053 490 HG13 VAL 67 3HG1 VAL 67 -6.910 -2.168 4.485 491 HG21 VAL 67 3HG2 VAL 67 -8.661 1.716 4.238 492 HG22 VAL 67 1HG2 VAL 67 -9.640 0.412 4.913 493 HG23 VAL 67 2HG2 VAL 67 -9.221 0.405 3.200 494 H THR 68 H THR 68 -8.805 1.756 6.940 495 HA THR 68 HA THR 68 -9.854 -0.199 8.874 496 HB THR 68 HB THR 68 -10.301 2.798 8.825 497 HG1 THR 68 HG1 THR 68 -8.627 1.480 10.679 498 HG21 THR 68 3HG2 THR 68 -10.744 0.777 11.036 499 HG22 THR 68 1HG2 THR 68 -12.019 1.511 10.061 500 HG23 THR 68 2HG2 THR 68 -11.041 2.512 11.133 501 H ASP 69 H ASP 69 -12.025 -0.650 9.048 502 HA ASP 69 HA ASP 69 -13.719 0.031 6.745 503 HB2 ASP 69 2HB ASP 69 -13.462 -2.308 6.922 504 HB3 ASP 69 1HB ASP 69 -13.650 -2.290 8.667 505 H SER 70 H SER 70 -15.945 0.571 7.078 506 HA SER 70 HA SER 70 -16.274 2.535 9.101 507 HB2 SER 70 2HB SER 70 -18.588 2.750 8.198 508 HB3 SER 70 1HB SER 70 -17.349 2.800 6.945 509 HG SER 70 HG SER 70 -18.454 1.260 6.059 510 H LYS 71 H LYS 71 -16.834 -0.845 9.196 511 HA LYS 71 HA LYS 71 -18.735 -0.545 11.434 512 HB2 LYS 71 2HB LYS 71 -17.998 -3.118 10.054 513 HB3 LYS 71 1HB LYS 71 -19.372 -2.817 11.105 514 HG2 LYS 71 2HG LYS 71 -18.952 -1.685 8.346 515 HG3 LYS 71 1HG LYS 71 -20.061 -2.981 8.789 516 HD2 LYS 71 2HD LYS 71 -21.314 -1.403 10.210 517 HD3 LYS 71 1HD LYS 71 -20.210 -0.111 9.730 518 HE2 LYS 71 2HE LYS 71 -22.060 -1.674 7.922 519 HE3 LYS 71 1HE LYS 71 -22.236 0.014 8.405 520 HZ1 LYS 71 3HZ LYS 71 -20.138 0.494 7.260 521 HZ2 LYS 71 1HZ LYS 71 -21.300 -0.131 6.206 522 HZ3 LYS 71 2HZ LYS 71 -20.039 -1.116 6.755 523 H GLY 72 H GLY 72 -15.439 -0.896 11.022 524 HA2 GLY 72 2HA GLY 72 -14.154 -0.852 13.094 525 HA3 GLY 72 1HA GLY 72 -15.233 -2.072 13.734 526 H HIS 73 H HIS 73 -14.312 -2.798 10.514 527 HA HIS 73 HA HIS 73 -12.316 -4.726 11.467 528 HB2 HIS 73 2HB HIS 73 -13.845 -4.429 8.897 529 HB3 HIS 73 1HB HIS 73 -12.374 -5.393 8.935 530 HD1 HIS 73 HD1 HIS 73 -15.908 -5.714 9.328 531 HD2 HIS 73 HD2 HIS 73 -12.597 -7.501 11.084 532 HE1 HIS 73 HE1 HIS 73 -16.730 -7.898 10.235 533 HE2 HIS 73 HE2 HIS 73 -14.704 -8.988 11.244 534 H GLU 74 H GLU 74 -10.146 -4.549 11.093 535 HA GLU 74 HA GLU 74 -9.230 -2.511 9.173 536 HB2 GLU 74 2HB GLU 74 -9.190 -1.616 11.516 537 HB3 GLU 74 1HB GLU 74 -8.040 -2.880 11.930 538 HG2 GLU 74 2HG GLU 74 -6.432 -1.979 10.362 539 HG3 GLU 74 1HG GLU 74 -7.593 -0.761 9.835 540 H VAL 75 H VAL 75 -8.058 -3.523 7.677 541 HA VAL 75 HA VAL 75 -6.459 -5.890 8.467 542 HB VAL 75 HB VAL 75 -6.654 -6.671 6.138 543 HG11 VAL 75 1HG1 VAL 75 -9.022 -7.325 6.221 544 HG12 VAL 75 2HG1 VAL 75 -9.311 -6.112 7.468 545 HG13 VAL 75 3HG1 VAL 75 -8.245 -7.478 7.799 546 HG21 VAL 75 3HG2 VAL 75 -6.938 -4.534 5.005 547 HG22 VAL 75 1HG2 VAL 75 -8.510 -4.309 5.778 548 HG23 VAL 75 2HG2 VAL 75 -8.275 -5.614 4.615 549 H THR 76 H THR 76 -4.484 -6.297 7.172 550 HA THR 76 HA THR 76 -3.211 -3.827 6.187 551 HB THR 76 HB THR 76 -2.528 -4.002 8.518 552 HG1 THR 76 HG1 THR 76 -0.908 -3.223 7.215 553 HG21 THR 76 3HG2 THR 76 -1.231 -5.918 9.339 554 HG22 THR 76 1HG2 THR 76 -1.470 -6.743 7.799 555 HG23 THR 76 2HG2 THR 76 -2.850 -6.414 8.845 556 H ALA 77 H ALA 77 -1.492 -4.086 4.760 557 HA ALA 77 HA ALA 77 -0.618 -6.760 3.975 558 HB1 ALA 77 3HB ALA 77 -1.868 -4.842 1.997 559 HB2 ALA 77 1HB ALA 77 -2.554 -6.375 2.532 560 HB3 ALA 77 2HB ALA 77 -1.065 -6.358 1.587 561 H LYS 78 H LYS 78 1.281 -6.617 2.424 562 HA LYS 78 HA LYS 78 2.751 -4.086 2.801 563 HB2 LYS 78 2HB LYS 78 3.675 -6.872 3.468 564 HB3 LYS 78 1HB LYS 78 4.830 -5.591 3.118 565 HG2 LYS 78 2HG LYS 78 3.907 -4.254 4.955 566 HG3 LYS 78 1HG LYS 78 2.758 -5.544 5.313 567 HD2 LYS 78 2HD LYS 78 5.755 -5.931 5.339 568 HD3 LYS 78 1HD LYS 78 4.824 -5.488 6.770 569 HE2 LYS 78 2HE LYS 78 4.227 -7.936 5.116 570 HE3 LYS 78 1HE LYS 78 5.332 -7.952 6.489 571 HZ1 LYS 78 3HZ LYS 78 3.068 -8.644 7.068 572 HZ2 LYS 78 1HZ LYS 78 2.483 -7.121 6.627 573 HZ3 LYS 78 2HZ LYS 78 3.554 -7.275 7.928 574 H GLN 79 H GLN 79 4.556 -3.733 1.427 575 HA GLN 79 HA GLN 79 4.535 -5.190 -1.136 576 HB2 GLN 79 2HB GLN 79 3.320 -3.173 -1.580 577 HB3 GLN 79 1HB GLN 79 4.467 -2.200 -0.667 578 HG2 GLN 79 2HG GLN 79 6.178 -2.640 -2.373 579 HG3 GLN 79 1HG GLN 79 5.012 -3.595 -3.284 580 HE21 GLN 79 1HE2 GLN 79 4.144 -0.652 -1.600 581 HE22 GLN 79 2HE2 GLN 79 3.864 0.285 -3.016 582 H THR 80 H THR 80 6.531 -5.830 -1.771 583 HA THR 80 HA THR 80 8.865 -4.783 -0.327 584 HB THR 80 HB THR 80 8.664 -7.151 -2.213 585 HG1 THR 80 HG1 THR 80 8.122 -8.250 -0.500 586 HG21 THR 80 3HG2 THR 80 10.922 -6.206 -2.185 587 HG22 THR 80 1HG2 THR 80 10.887 -7.760 -1.354 588 HG23 THR 80 2HG2 THR 80 10.937 -6.263 -0.422 589 H VAL 81 H VAL 81 9.614 -2.933 -1.248 590 HA VAL 81 HA VAL 81 9.766 -2.734 -4.177 591 HB VAL 81 HB VAL 81 10.314 -0.593 -2.103 592 HG11 VAL 81 1HG1 VAL 81 9.946 -0.399 -5.096 593 HG12 VAL 81 2HG1 VAL 81 11.451 -0.164 -4.209 594 HG13 VAL 81 3HG1 VAL 81 10.117 0.967 -3.992 595 HG21 VAL 81 3HG2 VAL 81 7.980 -1.311 -2.009 596 HG22 VAL 81 1HG2 VAL 81 7.823 -1.083 -3.751 597 HG23 VAL 81 2HG2 VAL 81 8.104 0.306 -2.702 598 H THR 82 H THR 82 11.691 -2.531 -5.288 599 HA THR 82 HA THR 82 14.197 -2.623 -3.721 600 HB THR 82 HB THR 82 13.631 -4.261 -6.210 601 HG1 THR 82 HG1 THR 82 12.617 -5.155 -4.378 602 HG21 THR 82 3HG2 THR 82 15.975 -3.573 -6.095 603 HG22 THR 82 1HG2 THR 82 15.828 -5.295 -5.744 604 HG23 THR 82 2HG2 THR 82 16.078 -4.146 -4.428 605 H VAL 83 H VAL 83 15.484 -0.964 -4.227 606 HA VAL 83 HA VAL 83 15.132 0.419 -6.797 607 HB VAL 83 HB VAL 83 16.688 1.336 -4.363 608 HG11 VAL 83 1HG1 VAL 83 16.602 3.549 -5.420 609 HG12 VAL 83 2HG1 VAL 83 15.793 2.848 -6.823 610 HG13 VAL 83 3HG1 VAL 83 17.449 2.380 -6.431 611 HG21 VAL 83 3HG2 VAL 83 14.309 1.103 -3.841 612 HG22 VAL 83 1HG2 VAL 83 13.895 2.092 -5.241 613 HG23 VAL 83 2HG2 VAL 83 14.782 2.801 -3.891 614 H LYS 84 H LYS 84 16.670 0.459 -8.338 615 HA LYS 84 HA LYS 84 19.301 -0.763 -7.754 616 HB2 LYS 84 2HB LYS 84 17.619 -1.001 -10.261 617 HB3 LYS 84 1HB LYS 84 19.267 -1.596 -10.108 618 HG2 LYS 84 2HG LYS 84 18.571 -3.155 -8.373 619 HG3 LYS 84 1HG LYS 84 16.926 -2.522 -8.441 620 HD2 LYS 84 2HD LYS 84 17.145 -4.634 -9.677 621 HD3 LYS 84 1HD LYS 84 16.692 -3.297 -10.736 622 HE2 LYS 84 2HE LYS 84 19.033 -3.091 -11.461 623 HE3 LYS 84 1HE LYS 84 19.477 -4.433 -10.405 624 HZ1 LYS 84 3HZ LYS 84 19.169 -5.100 -12.728 625 HZ2 LYS 84 1HZ LYS 84 17.553 -4.614 -12.659 626 HZ3 LYS 84 2HZ LYS 84 18.094 -5.895 -11.696 627 H VAL 85 H VAL 85 21.124 0.039 -8.945 628 HA VAL 85 HA VAL 85 20.787 2.846 -9.784 629 HB VAL 85 HB VAL 85 23.379 1.402 -9.171 630 HG11 VAL 85 1HG1 VAL 85 23.644 3.386 -10.578 631 HG12 VAL 85 2HG1 VAL 85 24.317 3.656 -8.969 632 HG13 VAL 85 3HG1 VAL 85 22.752 4.348 -9.398 633 HG21 VAL 85 3HG2 VAL 85 22.030 1.414 -7.171 634 HG22 VAL 85 1HG2 VAL 85 21.691 3.133 -7.368 635 HG23 VAL 85 2HG2 VAL 85 23.329 2.593 -7.007 636 H ARG 86 H ARG 86 20.787 3.304 -11.905 637 HA ARG 86 HA ARG 86 21.870 1.383 -13.824 638 HB2 ARG 86 2HB ARG 86 20.871 2.758 -15.556 639 HB3 ARG 86 1HB ARG 86 19.681 2.453 -14.300 640 HG2 ARG 86 2HG ARG 86 21.270 4.953 -14.078 641 HG3 ARG 86 1HG ARG 86 20.084 4.865 -15.377 642 HD2 ARG 86 2HD ARG 86 18.291 4.626 -13.874 643 HD3 ARG 86 1HD ARG 86 19.352 4.187 -12.538 644 HE ARG 86 HE ARG 86 19.506 6.390 -12.049 645 HH11 ARG 86 1HH1 ARG 86 18.688 6.170 -15.397 646 HH12 ARG 86 2HH1 ARG 86 18.651 7.885 -15.599 647 HH21 ARG 86 1HH2 ARG 86 19.474 8.557 -12.334 648 HH22 ARG 86 2HH2 ARG 86 19.126 9.224 -13.887 649 H GLU 87 H GLU 87 22.775 4.288 -12.256 650 HA GLU 87 HA GLU 87 24.819 5.023 -14.211 651 HB2 GLU 87 2HB GLU 87 24.040 6.246 -11.550 652 HB3 GLU 87 1HB GLU 87 25.204 6.935 -12.675 653 HG2 GLU 87 2HG GLU 87 23.548 7.471 -14.241 654 HG3 GLU 87 1HG GLU 87 22.364 6.398 -13.498 655 H GLU 88 H GLU 88 26.922 5.867 -12.883 656 HA GLU 88 HA GLU 88 27.703 4.212 -10.659 657 HB2 GLU 88 2HB GLU 88 29.709 3.269 -11.720 658 HB3 GLU 88 1HB GLU 88 28.234 2.688 -12.476 659 HG2 GLU 88 2HG GLU 88 28.557 4.216 -14.341 660 HG3 GLU 88 1HG GLU 88 30.003 4.872 -13.574 661 H VAL 89 H VAL 89 29.304 5.137 -9.441 662 HA VAL 89 HA VAL 89 30.007 7.881 -10.257 663 HB VAL 89 HB VAL 89 28.624 7.627 -8.221 664 HG11 VAL 89 1HG1 VAL 89 29.566 6.705 -6.168 665 HG12 VAL 89 2HG1 VAL 89 31.037 6.256 -7.031 666 HG13 VAL 89 3HG1 VAL 89 29.507 5.481 -7.437 667 HG21 VAL 89 3HG2 VAL 89 29.942 9.102 -6.762 668 HG22 VAL 89 1HG2 VAL 89 30.046 9.591 -8.454 669 HG23 VAL 89 2HG2 VAL 89 31.388 8.732 -7.700 670 H LYS 90 H LYS 90 32.086 8.533 -10.463 671 HA LYS 90 HA LYS 90 34.225 6.593 -9.910 672 HB2 LYS 90 2HB LYS 90 35.647 7.980 -11.331 673 HB3 LYS 90 1HB LYS 90 34.160 7.566 -12.172 674 HG2 LYS 90 2HG LYS 90 33.265 9.805 -11.642 675 HG3 LYS 90 1HG LYS 90 34.799 10.213 -10.870 676 HD2 LYS 90 2HD LYS 90 35.953 9.801 -13.028 677 HD3 LYS 90 1HD LYS 90 34.387 9.497 -13.782 678 HE2 LYS 90 2HE LYS 90 35.046 11.754 -14.272 679 HE3 LYS 90 1HE LYS 90 33.698 11.804 -13.137 680 HZ1 LYS 90 3HZ LYS 90 35.417 13.370 -12.513 681 HZ2 LYS 90 1HZ LYS 90 36.568 12.132 -12.445 682 HZ3 LYS 90 2HZ LYS 90 35.285 12.158 -11.343 683 H ASN 91 H ASN 91 33.210 9.875 -9.101 684 HA ASN 91 HA ASN 91 35.170 9.890 -6.884 685 HB2 ASN 91 2HB ASN 91 33.818 12.191 -8.322 686 HB3 ASN 91 1HB ASN 91 34.752 12.381 -6.842 687 HD21 ASN 91 1HD2 ASN 91 36.960 12.268 -6.927 688 HD22 ASN 91 2HD2 ASN 91 37.846 12.209 -8.411 689 H ASP 92 H ASP 92 34.210 9.210 -5.053 690 HA ASP 92 HA ASP 92 31.483 8.896 -4.673 691 HB2 ASP 92 2HB ASP 92 32.062 8.636 -2.235 692 HB3 ASP 92 1HB ASP 92 33.002 7.637 -3.336 693 H LYS 93 H LYS 93 30.101 10.544 -4.915 694 HA LYS 93 HA LYS 93 30.480 13.218 -4.248 695 HB2 LYS 93 2HB LYS 93 27.820 11.773 -4.237 696 HB3 LYS 93 1HB LYS 93 28.078 13.496 -4.452 697 HG2 LYS 93 2HG LYS 93 29.265 12.984 -6.590 698 HG3 LYS 93 1HG LYS 93 28.792 11.292 -6.382 699 HD2 LYS 93 2HD LYS 93 26.406 12.050 -6.265 700 HD3 LYS 93 1HD LYS 93 26.953 13.679 -6.664 701 HE2 LYS 93 2HE LYS 93 26.178 12.668 -8.679 702 HE3 LYS 93 1HE LYS 93 27.938 12.733 -8.769 703 HZ1 LYS 93 3HZ LYS 93 26.946 10.598 -9.504 704 HZ2 LYS 93 1HZ LYS 93 26.420 10.330 -7.916 705 HZ3 LYS 93 2HZ LYS 93 28.075 10.429 -8.263 706 HA PRO 94 HA PRO 94 29.654 13.251 0.218 707 HB2 PRO 94 2HB PRO 94 29.141 15.913 0.492 708 HB3 PRO 94 1HB PRO 94 30.779 15.268 0.340 709 HG2 PRO 94 2HG PRO 94 29.041 16.531 -1.753 710 HG3 PRO 94 1HG PRO 94 30.773 16.761 -1.446 711 HD2 PRO 94 2HD PRO 94 29.827 15.146 -3.423 712 HD3 PRO 94 1HD PRO 94 31.360 14.839 -2.580 713 H ILE 95 H ILE 95 27.727 12.051 0.175 714 HA ILE 95 HA ILE 95 25.349 12.922 -1.082 715 HB ILE 95 HB ILE 95 25.650 10.815 1.072 716 HG12 ILE 95 2HG1 ILE 95 25.690 10.555 -1.953 717 HG13 ILE 95 1HG1 ILE 95 27.097 10.426 -0.900 718 HG21 ILE 95 1HG2 ILE 95 23.328 11.509 0.798 719 HG22 ILE 95 2HG2 ILE 95 23.562 9.885 0.149 720 HG23 ILE 95 3HG2 ILE 95 23.442 11.264 -0.945 721 HD11 ILE 95 3HD1 ILE 95 24.717 8.575 -0.892 722 HD12 ILE 95 1HD1 ILE 95 26.148 8.436 0.133 723 HD13 ILE 95 2HD1 ILE 95 26.293 8.244 -1.613 724 H LEU 96 H LEU 96 24.917 15.015 -0.319 725 HA LEU 96 HA LEU 96 24.224 15.447 2.456 726 HB2 LEU 96 2HB LEU 96 23.854 17.228 0.036 727 HB3 LEU 96 1HB LEU 96 23.587 17.713 1.700 728 HG LEU 96 HG LEU 96 26.248 16.909 0.503 729 HD11 LEU 96 1HD1 LEU 96 25.220 19.611 1.377 730 HD12 LEU 96 2HD1 LEU 96 25.457 19.083 -0.289 731 HD13 LEU 96 3HD1 LEU 96 26.844 19.257 0.784 732 HD21 LEU 96 3HD2 LEU 96 27.200 17.646 2.642 733 HD22 LEU 96 1HD2 LEU 96 26.109 16.276 2.854 734 HD23 LEU 96 2HD2 LEU 96 25.573 17.903 3.277 735 H GLU 97 H GLU 97 22.452 14.255 3.040 736 HA GLU 97 HA GLU 97 20.128 14.017 1.353 737 HB2 GLU 97 2HB GLU 97 20.577 13.201 4.235 738 HB3 GLU 97 1HB GLU 97 19.171 12.765 3.271 739 HG2 GLU 97 2HG GLU 97 20.588 11.514 1.736 740 HG3 GLU 97 1HG GLU 97 22.018 11.989 2.650 Start of MODEL 9 1 H1 MET 1 1H MET 1 -24.525 -10.418 21.218 2 H2 MET 1 2H MET 1 -25.901 -11.037 21.983 3 H3 MET 1 3H MET 1 -25.719 -9.366 21.793 4 HA MET 1 HA MET 1 -27.308 -10.245 20.209 5 HB2 MET 1 2HB MET 1 -25.867 -8.284 19.659 6 HB3 MET 1 1HB MET 1 -24.722 -9.374 18.893 7 HG2 MET 1 2HG MET 1 -27.580 -8.986 18.020 8 HG3 MET 1 1HG MET 1 -26.180 -8.204 17.290 9 HE1 MET 1 3HE MET 1 -27.266 -10.800 14.552 10 HE2 MET 1 1HE MET 1 -26.911 -9.106 14.887 11 HE3 MET 1 2HE MET 1 -28.322 -9.871 15.616 12 H GLY 2 H GLY 2 -24.034 -11.402 19.336 13 HA2 GLY 2 2HA GLY 2 -23.637 -13.772 18.944 14 HA3 GLY 2 1HA GLY 2 -25.272 -13.885 18.305 15 H ASN 3 H ASN 3 -24.588 -14.741 16.309 16 HA ASN 3 HA ASN 3 -23.692 -12.706 14.427 17 HB2 ASN 3 2HB ASN 3 -21.618 -13.877 15.248 18 HB3 ASN 3 1HB ASN 3 -22.255 -15.371 14.564 19 HD21 ASN 3 1HD2 ASN 3 -20.540 -15.563 13.120 20 HD22 ASN 3 2HD2 ASN 3 -20.384 -14.539 11.738 21 H GLY 4 H GLY 4 -23.853 -13.527 12.120 22 HA2 GLY 4 2HA GLY 4 -24.839 -15.356 10.728 23 HA3 GLY 4 1HA GLY 4 -26.152 -15.391 11.896 24 H GLU 5 H GLU 5 -27.398 -13.320 12.131 25 HA GLU 5 HA GLU 5 -28.085 -12.263 9.545 26 HB2 GLU 5 2HB GLU 5 -29.058 -11.463 12.300 27 HB3 GLU 5 1HB GLU 5 -29.761 -10.927 10.780 28 HG2 GLU 5 2HG GLU 5 -29.728 -13.723 11.898 29 HG3 GLU 5 1HG GLU 5 -31.124 -12.669 11.675 30 H THR 6 H THR 6 -27.478 -10.384 8.630 31 HA THR 6 HA THR 6 -26.173 -8.583 8.162 32 HB THR 6 HB THR 6 -26.466 -7.967 11.117 33 HG1 THR 6 HG1 THR 6 -28.464 -7.948 10.063 34 HG21 THR 6 3HG2 THR 6 -25.900 -5.652 10.495 35 HG22 THR 6 1HG2 THR 6 -25.580 -6.179 8.841 36 HG23 THR 6 2HG2 THR 6 -24.563 -6.754 10.162 37 H SER 7 H SER 7 -24.371 -9.812 7.583 38 HA SER 7 HA SER 7 -22.207 -9.988 9.596 39 HB2 SER 7 2HB SER 7 -22.655 -11.615 7.077 40 HB3 SER 7 1HB SER 7 -21.229 -11.742 8.106 41 HG SER 7 HG SER 7 -23.923 -12.333 8.797 42 H ASP 8 H ASP 8 -20.491 -8.675 9.323 43 HA ASP 8 HA ASP 8 -20.265 -7.187 6.817 44 HB2 ASP 8 2HB ASP 8 -20.235 -5.822 8.813 45 HB3 ASP 8 1HB ASP 8 -18.909 -6.766 9.486 46 H LEU 9 H LEU 9 -18.875 -7.709 5.299 47 HA LEU 9 HA LEU 9 -16.630 -9.487 5.869 48 HB2 LEU 9 2HB LEU 9 -17.562 -8.325 3.231 49 HB3 LEU 9 1HB LEU 9 -16.325 -9.553 3.436 50 HG LEU 9 HG LEU 9 -19.276 -9.854 4.019 51 HD11 LEU 9 1HD1 LEU 9 -19.191 -11.549 2.238 52 HD12 LEU 9 2HD1 LEU 9 -17.509 -11.112 1.924 53 HD13 LEU 9 3HD1 LEU 9 -18.793 -9.932 1.660 54 HD21 LEU 9 3HD2 LEU 9 -18.760 -12.207 4.528 55 HD22 LEU 9 1HD2 LEU 9 -18.030 -11.095 5.683 56 HD23 LEU 9 2HD2 LEU 9 -17.038 -11.841 4.429 57 H GLU 10 H GLU 10 -14.559 -8.835 5.959 58 HA GLU 10 HA GLU 10 -13.961 -6.103 6.302 59 HB2 GLU 10 2HB GLU 10 -11.590 -6.821 6.439 60 HB3 GLU 10 1HB GLU 10 -12.656 -7.744 7.481 61 HG2 GLU 10 2HG GLU 10 -11.755 -8.725 4.787 62 HG3 GLU 10 1HG GLU 10 -10.859 -9.035 6.267 63 HA PRO 11 HA PRO 11 -13.441 -4.515 2.295 64 HB2 PRO 11 2HB PRO 11 -11.341 -2.760 2.671 65 HB3 PRO 11 1HB PRO 11 -13.011 -2.440 3.149 66 HG2 PRO 11 2HG PRO 11 -10.718 -3.413 4.815 67 HG3 PRO 11 1HG PRO 11 -11.966 -2.215 5.215 68 HD2 PRO 11 2HD PRO 11 -12.088 -4.731 6.144 69 HD3 PRO 11 1HD PRO 11 -13.553 -3.839 5.687 70 H LYS 12 H LYS 12 -12.345 -4.856 0.413 71 HA LYS 12 HA LYS 12 -10.134 -6.716 0.458 72 HB2 LYS 12 2HB LYS 12 -12.042 -6.933 -1.127 73 HB3 LYS 12 1HB LYS 12 -11.549 -5.438 -1.900 74 HG2 LYS 12 2HG LYS 12 -9.556 -7.646 -1.719 75 HG3 LYS 12 1HG LYS 12 -10.881 -7.810 -2.868 76 HD2 LYS 12 2HD LYS 12 -10.244 -5.634 -3.869 77 HD3 LYS 12 1HD LYS 12 -8.884 -5.539 -2.746 78 HE2 LYS 12 2HE LYS 12 -9.306 -7.746 -4.767 79 HE3 LYS 12 1HE LYS 12 -8.248 -6.356 -5.003 80 HZ1 LYS 12 3HZ LYS 12 -6.876 -7.072 -3.204 81 HZ2 LYS 12 1HZ LYS 12 -7.092 -8.387 -4.242 82 HZ3 LYS 12 2HZ LYS 12 -7.950 -8.309 -2.788 83 H LEU 13 H LEU 13 -8.292 -5.742 1.104 84 HA LEU 13 HA LEU 13 -7.444 -3.192 -0.023 85 HB2 LEU 13 2HB LEU 13 -7.122 -3.604 2.365 86 HB3 LEU 13 1HB LEU 13 -6.158 -5.025 2.012 87 HG LEU 13 HG LEU 13 -4.439 -3.576 0.966 88 HD11 LEU 13 1HD1 LEU 13 -4.530 -1.161 1.254 89 HD12 LEU 13 2HD1 LEU 13 -6.144 -1.293 1.952 90 HD13 LEU 13 3HD1 LEU 13 -5.872 -1.733 0.267 91 HD21 LEU 13 3HD2 LEU 13 -5.159 -2.814 3.797 92 HD22 LEU 13 1HD2 LEU 13 -3.581 -2.601 3.038 93 HD23 LEU 13 2HD2 LEU 13 -4.218 -4.223 3.305 94 H THR 14 H THR 14 -6.556 -3.259 -2.007 95 HA THR 14 HA THR 14 -5.134 -5.617 -2.940 96 HB THR 14 HB THR 14 -5.684 -3.009 -4.385 97 HG1 THR 14 HG1 THR 14 -7.352 -4.263 -5.394 98 HG21 THR 14 3HG2 THR 14 -5.195 -4.289 -6.427 99 HG22 THR 14 1HG2 THR 14 -4.777 -5.695 -5.447 100 HG23 THR 14 2HG2 THR 14 -3.795 -4.232 -5.355 101 H VAL 15 H VAL 15 -3.072 -5.831 -2.312 102 HA VAL 15 HA VAL 15 -1.239 -3.569 -2.776 103 HB VAL 15 HB VAL 15 -1.092 -5.481 -0.425 104 HG11 VAL 15 1HG1 VAL 15 0.713 -3.174 -1.176 105 HG12 VAL 15 2HG1 VAL 15 1.131 -4.887 -1.242 106 HG13 VAL 15 3HG1 VAL 15 0.815 -4.116 0.312 107 HG21 VAL 15 3HG2 VAL 15 -2.836 -3.814 -0.101 108 HG22 VAL 15 1HG2 VAL 15 -1.707 -2.523 -0.513 109 HG23 VAL 15 2HG2 VAL 15 -1.467 -3.469 0.955 110 HA PRO 16 HA PRO 16 0.756 -6.816 -5.182 111 HB2 PRO 16 2HB PRO 16 2.763 -5.314 -6.202 112 HB3 PRO 16 1HB PRO 16 1.096 -5.177 -6.777 113 HG2 PRO 16 2HG PRO 16 2.581 -3.433 -4.841 114 HG3 PRO 16 1HG PRO 16 1.503 -2.962 -6.169 115 HD2 PRO 16 2HD PRO 16 0.717 -3.050 -3.553 116 HD3 PRO 16 1HD PRO 16 -0.394 -3.315 -4.911 117 H VAL 17 H VAL 17 2.696 -8.064 -5.073 118 HA VAL 17 HA VAL 17 3.787 -8.290 -2.484 119 HB VAL 17 HB VAL 17 3.587 -10.181 -4.077 120 HG11 VAL 17 1HG1 VAL 17 4.351 -9.029 -6.104 121 HG12 VAL 17 2HG1 VAL 17 5.262 -10.512 -5.822 122 HG13 VAL 17 3HG1 VAL 17 5.985 -8.948 -5.442 123 HG21 VAL 17 3HG2 VAL 17 5.676 -11.293 -3.462 124 HG22 VAL 17 1HG2 VAL 17 5.039 -10.359 -2.108 125 HG23 VAL 17 2HG2 VAL 17 6.395 -9.736 -3.048 126 H GLY 18 H GLY 18 4.977 -6.618 -5.353 127 HA2 GLY 18 2HA GLY 18 6.818 -5.085 -3.804 128 HA3 GLY 18 1HA GLY 18 7.660 -6.305 -4.743 129 H ALA 19 H ALA 19 8.398 -3.825 -5.231 130 HA ALA 19 HA ALA 19 7.511 -3.350 -7.959 131 HB1 ALA 19 3HB ALA 19 7.296 -1.158 -5.888 132 HB2 ALA 19 1HB ALA 19 5.939 -1.998 -6.639 133 HB3 ALA 19 2HB ALA 19 7.003 -0.990 -7.619 134 H THR 20 H THR 20 9.284 -2.982 -9.163 135 HA THR 20 HA THR 20 11.766 -2.175 -7.792 136 HB THR 20 HB THR 20 11.437 -3.477 -10.508 137 HG1 THR 20 HG1 THR 20 11.501 -4.507 -7.986 138 HG21 THR 20 3HG2 THR 20 13.924 -2.890 -8.885 139 HG22 THR 20 1HG2 THR 20 13.463 -2.113 -10.400 140 HG23 THR 20 2HG2 THR 20 13.879 -3.827 -10.380 141 H ILE 21 H ILE 21 12.566 -0.202 -8.080 142 HA ILE 21 HA ILE 21 12.030 1.226 -10.618 143 HB ILE 21 HB ILE 21 12.078 3.371 -9.367 144 HG12 ILE 21 2HG1 ILE 21 11.979 1.592 -6.912 145 HG13 ILE 21 1HG1 ILE 21 13.333 2.613 -7.391 146 HG21 ILE 21 1HG2 ILE 21 9.930 1.431 -8.502 147 HG22 ILE 21 2HG2 ILE 21 9.941 2.399 -9.977 148 HG23 ILE 21 3HG2 ILE 21 9.816 3.189 -8.406 149 HD11 ILE 21 3HD1 ILE 21 12.071 3.649 -5.614 150 HD12 ILE 21 1HD1 ILE 21 10.593 3.556 -6.574 151 HD13 ILE 21 2HD1 ILE 21 11.922 4.596 -7.094 152 H HIS 22 H HIS 22 13.675 3.234 -10.712 153 HA HIS 22 HA HIS 22 16.359 2.111 -10.171 154 HB2 HIS 22 2HB HIS 22 15.453 3.812 -12.502 155 HB3 HIS 22 1HB HIS 22 17.117 3.316 -12.205 156 HD1 HIS 22 HD1 HIS 22 13.953 2.173 -13.687 157 HD2 HIS 22 HD2 HIS 22 17.561 0.486 -12.482 158 HE1 HIS 22 HE1 HIS 22 14.017 -0.100 -14.749 159 HE2 HIS 22 HE2 HIS 22 16.290 -1.011 -14.175 160 H VAL 23 H VAL 23 18.084 3.545 -9.755 161 HA VAL 23 HA VAL 23 17.585 5.726 -8.069 162 HB VAL 23 HB VAL 23 20.101 5.020 -9.604 163 HG11 VAL 23 1HG1 VAL 23 19.752 6.950 -7.302 164 HG12 VAL 23 2HG1 VAL 23 20.163 7.371 -8.965 165 HG13 VAL 23 3HG1 VAL 23 21.296 6.437 -7.990 166 HG21 VAL 23 3HG2 VAL 23 19.367 3.281 -8.056 167 HG22 VAL 23 1HG2 VAL 23 19.287 4.459 -6.742 168 HG23 VAL 23 2HG2 VAL 23 20.842 4.054 -7.476 169 H GLY 24 H GLY 24 16.955 7.737 -8.505 170 HA2 GLY 24 2HA GLY 24 17.325 9.844 -9.673 171 HA3 GLY 24 1HA GLY 24 17.551 8.921 -11.153 172 H ASP 25 H ASP 25 15.243 7.159 -10.306 173 HA ASP 25 HA ASP 25 13.164 8.712 -11.596 174 HB2 ASP 25 2HB ASP 25 13.204 5.857 -10.574 175 HB3 ASP 25 1HB ASP 25 11.920 6.568 -11.552 176 H SER 26 H SER 26 10.859 7.583 -10.408 177 HA SER 26 HA SER 26 10.919 8.432 -7.596 178 HB2 SER 26 2HB SER 26 9.080 9.610 -9.697 179 HB3 SER 26 1HB SER 26 8.839 9.801 -7.960 180 HG SER 26 HG SER 26 11.372 10.438 -8.889 181 H PHE 27 H PHE 27 8.585 8.102 -6.619 182 HA PHE 27 HA PHE 27 7.202 5.794 -7.745 183 HB2 PHE 27 2HB PHE 27 9.100 4.814 -6.477 184 HB3 PHE 27 1HB PHE 27 8.539 5.635 -5.025 185 HD1 PHE 27 HD2 PHE 27 7.630 3.052 -7.531 186 HD2 PHE 27 HD1 PHE 27 6.862 4.676 -3.663 187 HE1 PHE 27 HE2 PHE 27 6.188 1.125 -7.004 188 HE2 PHE 27 HE1 PHE 27 5.424 2.754 -3.137 189 HZ PHE 27 HZ PHE 27 5.083 0.977 -4.807 190 H VAL 28 H VAL 28 5.084 5.632 -7.099 191 HA VAL 28 HA VAL 28 4.142 7.529 -5.029 192 HB VAL 28 HB VAL 28 2.685 6.587 -7.511 193 HG11 VAL 28 1HG1 VAL 28 0.904 8.161 -6.819 194 HG12 VAL 28 2HG1 VAL 28 1.752 8.418 -5.291 195 HG13 VAL 28 3HG1 VAL 28 1.107 6.823 -5.688 196 HG21 VAL 28 3HG2 VAL 28 2.802 8.944 -8.203 197 HG22 VAL 28 1HG2 VAL 28 4.411 8.257 -7.978 198 HG23 VAL 28 2HG2 VAL 28 3.730 9.325 -6.750 199 HA PRO 29 HA PRO 29 3.167 3.557 -3.003 200 HB2 PRO 29 2HB PRO 29 2.170 5.431 -0.919 201 HB3 PRO 29 1HB PRO 29 3.300 4.081 -0.774 202 HG2 PRO 29 2HG PRO 29 4.172 6.601 -0.681 203 HG3 PRO 29 1HG PRO 29 5.108 5.342 -1.512 204 HD2 PRO 29 2HD PRO 29 3.348 7.474 -2.675 205 HD3 PRO 29 1HD PRO 29 4.922 6.878 -3.244 206 H MET 30 H MET 30 0.959 6.346 -3.153 207 HA MET 30 HA MET 30 -1.357 4.768 -2.495 208 HB2 MET 30 2HB MET 30 -1.024 7.632 -3.384 209 HB3 MET 30 1HB MET 30 -2.595 6.913 -3.064 210 HG2 MET 30 2HG MET 30 -0.514 6.728 -0.945 211 HG3 MET 30 1HG MET 30 -1.287 8.284 -1.228 212 HE1 MET 30 3HE MET 30 -2.983 4.670 -1.581 213 HE2 MET 30 1HE MET 30 -3.606 4.475 0.056 214 HE3 MET 30 2HE MET 30 -1.863 4.508 -0.227 215 H ALA 31 H ALA 31 0.337 5.184 -5.375 216 HA ALA 31 HA ALA 31 -1.934 5.148 -7.155 217 HB1 ALA 31 3HB ALA 31 0.141 6.219 -7.847 218 HB2 ALA 31 1HB ALA 31 -0.277 4.902 -8.942 219 HB3 ALA 31 2HB ALA 31 0.993 4.678 -7.737 220 H GLU 32 H GLU 32 0.447 2.767 -6.028 221 HA GLU 32 HA GLU 32 -0.679 0.697 -7.711 222 HB2 GLU 32 2HB GLU 32 1.591 0.610 -5.717 223 HB3 GLU 32 1HB GLU 32 1.131 -0.721 -6.771 224 HG2 GLU 32 2HG GLU 32 2.178 1.974 -7.628 225 HG3 GLU 32 1HG GLU 32 3.046 0.442 -7.673 226 H VAL 33 H VAL 33 -1.452 1.859 -4.661 227 HA VAL 33 HA VAL 33 -2.494 -0.770 -3.791 228 HB VAL 33 HB VAL 33 -1.601 1.545 -2.052 229 HG11 VAL 33 1HG1 VAL 33 -2.076 0.058 -0.147 230 HG12 VAL 33 2HG1 VAL 33 -2.748 -1.138 -1.255 231 HG13 VAL 33 3HG1 VAL 33 -3.534 0.428 -1.069 232 HG21 VAL 33 3HG2 VAL 33 0.257 0.270 -3.024 233 HG22 VAL 33 1HG2 VAL 33 -0.434 -1.227 -2.393 234 HG23 VAL 33 2HG2 VAL 33 0.147 0.014 -1.283 235 H LEU 34 H LEU 34 -4.631 -0.955 -3.678 236 HA LEU 34 HA LEU 34 -6.301 1.465 -3.328 237 HB2 LEU 34 2HB LEU 34 -6.849 -0.910 -5.127 238 HB3 LEU 34 1HB LEU 34 -8.032 0.320 -4.744 239 HG LEU 34 HG LEU 34 -7.226 0.831 -6.900 240 HD11 LEU 34 1HD1 LEU 34 -5.791 2.632 -4.956 241 HD12 LEU 34 2HD1 LEU 34 -7.473 2.775 -5.471 242 HD13 LEU 34 3HD1 LEU 34 -6.171 3.013 -6.636 243 HD21 LEU 34 3HD2 LEU 34 -5.217 -0.546 -6.896 244 HD22 LEU 34 1HD2 LEU 34 -4.411 0.608 -5.835 245 HD23 LEU 34 2HD2 LEU 34 -4.864 1.081 -7.472 246 H ALA 35 H ALA 35 -8.482 1.010 -2.422 247 HA ALA 35 HA ALA 35 -8.754 -1.561 -1.020 248 HB1 ALA 35 3HB ALA 35 -7.678 -0.083 0.598 249 HB2 ALA 35 1HB ALA 35 -9.321 -0.475 1.102 250 HB3 ALA 35 2HB ALA 35 -8.967 1.101 0.393 251 H ILE 36 H ILE 36 -10.717 -2.369 -1.380 252 HA ILE 36 HA ILE 36 -12.998 -0.529 -1.806 253 HB ILE 36 HB ILE 36 -12.413 -3.071 -3.352 254 HG12 ILE 36 2HG1 ILE 36 -11.048 -1.138 -4.075 255 HG13 ILE 36 1HG1 ILE 36 -12.207 -1.618 -5.310 256 HG21 ILE 36 1HG2 ILE 36 -14.798 -2.862 -2.967 257 HG22 ILE 36 2HG2 ILE 36 -14.434 -2.513 -4.658 258 HG23 ILE 36 3HG2 ILE 36 -14.774 -1.192 -3.539 259 HD11 ILE 36 3HD1 ILE 36 -12.534 0.692 -3.410 260 HD12 ILE 36 1HD1 ILE 36 -13.658 0.227 -4.687 261 HD13 ILE 36 2HD1 ILE 36 -12.042 0.799 -5.099 262 H ASP 37 H ASP 37 -14.606 -0.899 -0.387 263 HA ASP 37 HA ASP 37 -14.935 -3.622 0.696 264 HB2 ASP 37 2HB ASP 37 -14.579 -1.855 2.395 265 HB3 ASP 37 1HB ASP 37 -16.020 -1.020 1.810 266 H LYS 38 H LYS 38 -17.037 -4.535 0.818 267 HA LYS 38 HA LYS 38 -18.543 -4.169 -1.556 268 HB2 LYS 38 2HB LYS 38 -19.240 -5.737 0.941 269 HB3 LYS 38 1HB LYS 38 -20.071 -5.869 -0.604 270 HG2 LYS 38 2HG LYS 38 -18.054 -6.707 -1.656 271 HG3 LYS 38 1HG LYS 38 -17.155 -6.491 -0.156 272 HD2 LYS 38 2HD LYS 38 -17.673 -8.791 -0.261 273 HD3 LYS 38 1HD LYS 38 -18.796 -8.107 0.910 274 HE2 LYS 38 2HE LYS 38 -19.492 -8.581 -1.989 275 HE3 LYS 38 1HE LYS 38 -19.776 -9.766 -0.720 276 HZ1 LYS 38 3HZ LYS 38 -20.998 -7.068 -0.945 277 HZ2 LYS 38 1HZ LYS 38 -21.178 -8.080 0.400 278 HZ3 LYS 38 2HZ LYS 38 -21.773 -8.561 -1.106 279 H GLU 39 H GLU 39 -19.458 -3.550 1.859 280 HA GLU 39 HA GLU 39 -21.948 -2.330 0.970 281 HB2 GLU 39 2HB GLU 39 -21.330 -2.072 3.832 282 HB3 GLU 39 1HB GLU 39 -22.770 -2.682 3.038 283 HG2 GLU 39 2HG GLU 39 -21.977 -4.506 4.215 284 HG3 GLU 39 1HG GLU 39 -21.379 -4.794 2.578 285 H ASP 40 H ASP 40 -19.070 -1.239 2.817 286 HA ASP 40 HA ASP 40 -20.115 1.408 3.142 287 HB2 ASP 40 2HB ASP 40 -18.392 0.146 4.612 288 HB3 ASP 40 1HB ASP 40 -17.201 0.686 3.433 289 H GLY 41 H GLY 41 -18.077 -0.126 0.748 290 HA2 GLY 41 2HA GLY 41 -18.011 0.746 -1.495 291 HA3 GLY 41 1HA GLY 41 -18.137 2.369 -0.836 292 H ASP 42 H ASP 42 -16.310 3.168 -1.884 293 HA ASP 42 HA ASP 42 -13.785 1.855 -1.839 294 HB2 ASP 42 2HB ASP 42 -14.455 3.540 -3.550 295 HB3 ASP 42 1HB ASP 42 -14.359 4.791 -2.313 296 H LEU 43 H LEU 43 -12.205 1.879 -0.353 297 HA LEU 43 HA LEU 43 -12.325 3.859 1.840 298 HB2 LEU 43 2HB LEU 43 -11.590 0.930 2.028 299 HB3 LEU 43 1HB LEU 43 -11.406 2.084 3.336 300 HG LEU 43 HG LEU 43 -14.036 1.270 2.074 301 HD11 LEU 43 1HD1 LEU 43 -13.041 -0.514 3.423 302 HD12 LEU 43 2HD1 LEU 43 -14.490 0.143 4.182 303 HD13 LEU 43 3HD1 LEU 43 -12.895 0.595 4.786 304 HD21 LEU 43 3HD2 LEU 43 -14.059 3.591 2.868 305 HD22 LEU 43 1HD2 LEU 43 -13.495 3.058 4.452 306 HD23 LEU 43 2HD2 LEU 43 -15.081 2.556 3.865 307 H THR 44 H THR 44 -10.738 3.482 -0.782 308 HA THR 44 HA THR 44 -8.042 2.935 -0.233 309 HB THR 44 HB THR 44 -9.098 4.876 -2.313 310 HG1 THR 44 HG1 THR 44 -10.053 3.038 -2.916 311 HG21 THR 44 3HG2 THR 44 -6.524 3.285 -2.213 312 HG22 THR 44 1HG2 THR 44 -6.671 5.030 -1.990 313 HG23 THR 44 2HG2 THR 44 -7.053 4.305 -3.552 314 H SER 45 H SER 45 -9.865 5.951 0.011 315 HA SER 45 HA SER 45 -7.738 7.716 0.523 316 HB2 SER 45 2HB SER 45 -10.582 7.878 1.572 317 HB3 SER 45 1HB SER 45 -9.439 9.218 1.470 318 HG SER 45 HG SER 45 -10.197 9.496 -0.463 319 H LYS 46 H LYS 46 -9.157 5.298 2.536 320 HA LYS 46 HA LYS 46 -8.195 6.504 5.010 321 HB2 LYS 46 2HB LYS 46 -9.740 3.962 4.486 322 HB3 LYS 46 1HB LYS 46 -9.254 4.513 6.084 323 HG2 LYS 46 2HG LYS 46 -10.534 6.645 5.596 324 HG3 LYS 46 1HG LYS 46 -11.192 5.814 4.185 325 HD2 LYS 46 2HD LYS 46 -12.173 4.109 5.596 326 HD3 LYS 46 1HD LYS 46 -11.406 4.805 7.027 327 HE2 LYS 46 2HE LYS 46 -13.501 6.136 5.303 328 HE3 LYS 46 1HE LYS 46 -13.766 5.433 6.897 329 HZ1 LYS 46 3HZ LYS 46 -12.238 7.065 7.825 330 HZ2 LYS 46 1HZ LYS 46 -13.517 7.827 7.021 331 HZ3 LYS 46 2HZ LYS 46 -11.995 7.743 6.294 332 H ILE 47 H ILE 47 -6.675 4.788 2.660 333 HA ILE 47 HA ILE 47 -5.379 2.748 4.171 334 HB ILE 47 HB ILE 47 -4.529 4.061 1.583 335 HG12 ILE 47 2HG1 ILE 47 -5.948 1.431 2.112 336 HG13 ILE 47 1HG1 ILE 47 -6.705 2.891 1.481 337 HG21 ILE 47 1HG2 ILE 47 -3.081 2.096 1.269 338 HG22 ILE 47 2HG2 ILE 47 -3.498 1.538 2.888 339 HG23 ILE 47 3HG2 ILE 47 -2.609 3.046 2.678 340 HD11 ILE 47 3HD1 ILE 47 -5.309 2.751 -0.518 341 HD12 ILE 47 1HD1 ILE 47 -6.263 1.289 -0.283 342 HD13 ILE 47 2HD1 ILE 47 -4.547 1.292 0.116 343 H LYS 48 H LYS 48 -4.109 3.146 5.825 344 HA LYS 48 HA LYS 48 -2.516 5.555 6.082 345 HB2 LYS 48 2HB LYS 48 -3.730 4.568 8.009 346 HB3 LYS 48 1HB LYS 48 -2.734 3.126 7.886 347 HG2 LYS 48 2HG LYS 48 -1.930 4.501 9.681 348 HG3 LYS 48 1HG LYS 48 -0.736 4.507 8.381 349 HD2 LYS 48 2HD LYS 48 -1.444 6.695 7.666 350 HD3 LYS 48 1HD LYS 48 -2.807 6.670 8.786 351 HE2 LYS 48 2HE LYS 48 0.105 6.629 9.591 352 HE3 LYS 48 1HE LYS 48 -0.930 8.056 9.598 353 HZ1 LYS 48 3HZ LYS 48 -0.821 7.147 11.796 354 HZ2 LYS 48 1HZ LYS 48 -1.280 5.610 11.253 355 HZ3 LYS 48 2HZ LYS 48 -2.381 6.892 11.197 356 H VAL 49 H VAL 49 -0.499 5.710 5.298 357 HA VAL 49 HA VAL 49 0.919 3.269 4.498 358 HB VAL 49 HB VAL 49 1.562 6.152 3.826 359 HG11 VAL 49 1HG1 VAL 49 3.004 5.181 2.074 360 HG12 VAL 49 2HG1 VAL 49 2.661 3.568 2.702 361 HG13 VAL 49 3HG1 VAL 49 3.537 4.734 3.695 362 HG21 VAL 49 3HG2 VAL 49 0.155 4.042 2.184 363 HG22 VAL 49 1HG2 VAL 49 0.636 5.637 1.605 364 HG23 VAL 49 2HG2 VAL 49 -0.580 5.490 2.873 365 H ASP 50 H ASP 50 2.845 2.632 5.330 366 HA ASP 50 HA ASP 50 4.250 4.413 7.215 367 HB2 ASP 50 2HB ASP 50 2.968 2.791 8.526 368 HB3 ASP 50 1HB ASP 50 3.690 1.463 7.627 369 H GLY 51 H GLY 51 6.475 4.355 7.139 370 HA2 GLY 51 2HA GLY 51 8.562 3.255 6.585 371 HA3 GLY 51 1HA GLY 51 7.733 2.436 5.270 372 H GLU 52 H GLU 52 9.884 3.402 4.342 373 HA GLU 52 HA GLU 52 9.105 5.541 2.600 374 HB2 GLU 52 2HB GLU 52 10.968 7.084 3.213 375 HB3 GLU 52 1HB GLU 52 9.719 6.948 4.443 376 HG2 GLU 52 2HG GLU 52 11.179 5.324 5.652 377 HG3 GLU 52 1HG GLU 52 12.446 5.663 4.471 378 H VAL 53 H VAL 53 10.208 5.509 0.715 379 HA VAL 53 HA VAL 53 12.430 3.575 0.470 380 HB VAL 53 HB VAL 53 10.492 4.464 -1.688 381 HG11 VAL 53 1HG1 VAL 53 12.587 2.290 -1.693 382 HG12 VAL 53 2HG1 VAL 53 12.641 3.798 -2.606 383 HG13 VAL 53 3HG1 VAL 53 11.418 2.585 -2.978 384 HG21 VAL 53 3HG2 VAL 53 9.509 2.216 -1.485 385 HG22 VAL 53 1HG2 VAL 53 9.324 3.155 -0.003 386 HG23 VAL 53 2HG2 VAL 53 10.555 1.895 -0.102 387 H ASP 54 H ASP 54 14.272 4.141 -0.719 388 HA ASP 54 HA ASP 54 14.756 6.971 -1.109 389 HB2 ASP 54 2HB ASP 54 16.459 4.503 -1.274 390 HB3 ASP 54 1HB ASP 54 17.027 6.006 -1.992 391 H THR 55 H THR 55 15.473 7.914 -3.062 392 HA THR 55 HA THR 55 14.788 6.451 -5.537 393 HB THR 55 HB THR 55 14.476 8.692 -6.604 394 HG1 THR 55 HG1 THR 55 14.674 10.503 -5.456 395 HG21 THR 55 3HG2 THR 55 12.520 7.465 -5.841 396 HG22 THR 55 1HG2 THR 55 12.292 9.190 -5.544 397 HG23 THR 55 2HG2 THR 55 12.714 8.113 -4.211 398 H THR 56 H THR 56 17.215 8.206 -3.790 399 HA THR 56 HA THR 56 19.039 8.111 -6.113 400 HB THR 56 HB THR 56 20.482 9.683 -4.871 401 HG1 THR 56 HG1 THR 56 18.589 10.424 -3.027 402 HG21 THR 56 3HG2 THR 56 18.821 10.588 -6.418 403 HG22 THR 56 1HG2 THR 56 19.028 11.660 -5.034 404 HG23 THR 56 2HG2 THR 56 17.613 10.609 -5.132 405 H LYS 57 H LYS 57 18.263 6.009 -3.908 406 HA LYS 57 HA LYS 57 21.012 5.029 -3.555 407 HB2 LYS 57 2HB LYS 57 20.338 6.157 -1.439 408 HB3 LYS 57 1HB LYS 57 18.959 5.073 -1.325 409 HG2 LYS 57 2HG LYS 57 20.588 3.158 -1.282 410 HG3 LYS 57 1HG LYS 57 21.876 4.353 -1.140 411 HD2 LYS 57 2HD LYS 57 19.582 3.964 0.797 412 HD3 LYS 57 1HD LYS 57 21.245 3.440 1.047 413 HE2 LYS 57 2HE LYS 57 21.055 5.431 2.276 414 HE3 LYS 57 1HE LYS 57 21.881 5.907 0.795 415 HZ1 LYS 57 3HZ LYS 57 18.953 6.176 1.165 416 HZ2 LYS 57 1HZ LYS 57 19.907 6.867 -0.047 417 HZ3 LYS 57 2HZ LYS 57 20.044 7.409 1.547 418 H ALA 58 H ALA 58 21.207 2.909 -4.036 419 HA ALA 58 HA ALA 58 18.892 1.379 -4.815 420 HB1 ALA 58 3HB ALA 58 20.501 -0.375 -5.386 421 HB2 ALA 58 1HB ALA 58 21.790 0.545 -4.606 422 HB3 ALA 58 2HB ALA 58 20.994 1.185 -6.044 423 H GLY 59 H GLY 59 18.034 -0.445 -3.822 424 HA2 GLY 59 2HA GLY 59 18.851 -2.035 -1.817 425 HA3 GLY 59 1HA GLY 59 18.414 -0.579 -0.935 426 H THR 60 H THR 60 16.956 -2.397 0.005 427 HA THR 60 HA THR 60 14.410 -2.409 -1.508 428 HB THR 60 HB THR 60 15.579 -4.651 0.158 429 HG1 THR 60 HG1 THR 60 16.024 -5.466 -1.736 430 HG21 THR 60 3HG2 THR 60 13.501 -5.884 -0.270 431 HG22 THR 60 1HG2 THR 60 12.807 -4.456 -1.039 432 HG23 THR 60 2HG2 THR 60 13.195 -4.432 0.682 433 H TYR 61 H TYR 61 12.799 -1.425 -0.511 434 HA TYR 61 HA TYR 61 12.763 -1.285 2.437 435 HB2 TYR 61 2HB TYR 61 11.950 0.957 0.567 436 HB3 TYR 61 1HB TYR 61 11.978 1.016 2.325 437 HD1 TYR 61 HD1 TYR 61 14.214 0.865 3.508 438 HD2 TYR 61 HD2 TYR 61 13.891 1.461 -0.697 439 HE1 TYR 61 HE1 TYR 61 16.531 1.681 3.448 440 HE2 TYR 61 HE2 TYR 61 16.208 2.273 -0.762 441 HH TYR 61 HH TYR 61 17.825 3.336 0.846 442 H VAL 62 H VAL 62 10.887 -1.898 3.355 443 HA VAL 62 HA VAL 62 8.680 -2.657 1.576 444 HB VAL 62 HB VAL 62 9.165 -3.429 4.464 445 HG11 VAL 62 1HG1 VAL 62 7.444 -5.146 4.055 446 HG12 VAL 62 2HG1 VAL 62 7.163 -4.467 2.451 447 HG13 VAL 62 3HG1 VAL 62 6.803 -3.511 3.888 448 HG21 VAL 62 3HG2 VAL 62 10.896 -4.334 2.990 449 HG22 VAL 62 1HG2 VAL 62 9.660 -4.995 1.920 450 HG23 VAL 62 2HG2 VAL 62 9.834 -5.620 3.560 451 H LEU 63 H LEU 63 6.978 -1.352 1.409 452 HA LEU 63 HA LEU 63 6.376 0.596 3.509 453 HB2 LEU 63 2HB LEU 63 5.155 0.209 0.768 454 HB3 LEU 63 1HB LEU 63 4.786 1.527 1.865 455 HG LEU 63 HG LEU 63 7.477 1.016 0.578 456 HD11 LEU 63 1HD1 LEU 63 5.420 3.158 0.028 457 HD12 LEU 63 2HD1 LEU 63 5.810 1.799 -1.026 458 HD13 LEU 63 3HD1 LEU 63 7.020 3.041 -0.707 459 HD21 LEU 63 3HD2 LEU 63 7.705 2.037 2.784 460 HD22 LEU 63 1HD2 LEU 63 6.552 3.295 2.333 461 HD23 LEU 63 2HD2 LEU 63 8.111 3.189 1.513 462 H THR 64 H THR 64 4.628 0.466 4.854 463 HA THR 64 HA THR 64 2.911 -1.921 4.617 464 HB THR 64 HB THR 64 3.143 -0.081 7.013 465 HG1 THR 64 HG1 THR 64 5.098 -1.448 6.186 466 HG21 THR 64 3HG2 THR 64 1.123 -1.489 6.949 467 HG22 THR 64 1HG2 THR 64 2.214 -1.973 8.250 468 HG23 THR 64 2HG2 THR 64 2.135 -2.923 6.766 469 H TYR 65 H TYR 65 0.658 -1.778 4.657 470 HA TYR 65 HA TYR 65 -0.555 0.901 4.458 471 HB2 TYR 65 2HB TYR 65 -1.136 -1.395 2.561 472 HB3 TYR 65 1HB TYR 65 -1.886 0.198 2.524 473 HD1 TYR 65 HD2 TYR 65 -0.547 2.179 1.820 474 HD2 TYR 65 HD1 TYR 65 1.034 -1.771 1.601 475 HE1 TYR 65 HE2 TYR 65 1.229 2.976 0.318 476 HE2 TYR 65 HE1 TYR 65 2.815 -0.978 0.105 477 HH TYR 65 HH TYR 65 3.517 2.286 -0.351 478 H THR 66 H THR 66 -2.042 1.007 6.053 479 HA THR 66 HA THR 66 -3.583 -1.432 6.727 480 HB THR 66 HB THR 66 -2.984 0.939 8.520 481 HG1 THR 66 HG1 THR 66 -1.429 -0.297 9.414 482 HG21 THR 66 3HG2 THR 66 -3.909 -0.470 10.319 483 HG22 THR 66 1HG2 THR 66 -4.330 -1.704 9.133 484 HG23 THR 66 2HG2 THR 66 -5.119 -0.126 9.082 485 H VAL 67 H VAL 67 -5.808 -1.360 6.717 486 HA VAL 67 HA VAL 67 -7.134 1.258 6.507 487 HB VAL 67 HB VAL 67 -6.915 0.464 4.204 488 HG11 VAL 67 1HG1 VAL 67 -8.026 -1.580 3.440 489 HG12 VAL 67 2HG1 VAL 67 -8.455 -1.973 5.103 490 HG13 VAL 67 3HG1 VAL 67 -6.760 -1.935 4.618 491 HG21 VAL 67 3HG2 VAL 67 -8.908 1.755 4.811 492 HG22 VAL 67 1HG2 VAL 67 -9.763 0.263 5.213 493 HG23 VAL 67 2HG2 VAL 67 -9.275 0.581 3.547 494 H THR 68 H THR 68 -9.034 1.420 7.608 495 HA THR 68 HA THR 68 -9.997 -1.015 8.990 496 HB THR 68 HB THR 68 -10.272 1.861 9.910 497 HG1 THR 68 HG1 THR 68 -8.756 0.107 11.413 498 HG21 THR 68 3HG2 THR 68 -10.976 0.862 12.050 499 HG22 THR 68 1HG2 THR 68 -10.894 -0.743 11.324 500 HG23 THR 68 2HG2 THR 68 -12.076 0.428 10.741 501 H ASP 69 H ASP 69 -12.012 -1.679 8.592 502 HA ASP 69 HA ASP 69 -13.822 -0.243 6.903 503 HB2 ASP 69 2HB ASP 69 -13.593 -2.785 7.163 504 HB3 ASP 69 1HB ASP 69 -14.480 -2.616 8.669 505 H SER 70 H SER 70 -15.877 0.630 7.502 506 HA SER 70 HA SER 70 -15.850 2.115 9.936 507 HB2 SER 70 2HB SER 70 -18.111 1.721 7.957 508 HB3 SER 70 1HB SER 70 -18.075 2.929 9.241 509 HG SER 70 HG SER 70 -17.018 3.051 6.779 510 H LYS 71 H LYS 71 -17.243 -0.957 9.021 511 HA LYS 71 HA LYS 71 -19.032 -0.965 11.329 512 HB2 LYS 71 2HB LYS 71 -18.594 -3.141 9.273 513 HB3 LYS 71 1HB LYS 71 -19.860 -3.105 10.492 514 HG2 LYS 71 2HG LYS 71 -21.025 -2.379 8.653 515 HG3 LYS 71 1HG LYS 71 -20.499 -0.832 9.317 516 HD2 LYS 71 2HD LYS 71 -18.647 -0.753 7.748 517 HD3 LYS 71 1HD LYS 71 -19.060 -2.354 7.135 518 HE2 LYS 71 2HE LYS 71 -19.929 -0.882 5.540 519 HE3 LYS 71 1HE LYS 71 -21.329 -1.322 6.517 520 HZ1 LYS 71 3HZ LYS 71 -19.755 1.191 6.703 521 HZ2 LYS 71 1HZ LYS 71 -21.014 0.772 7.756 522 HZ3 LYS 71 2HZ LYS 71 -21.332 1.022 6.119 523 H GLY 72 H GLY 72 -15.803 -1.513 11.054 524 HA2 GLY 72 2HA GLY 72 -14.813 -1.879 13.260 525 HA3 GLY 72 1HA GLY 72 -15.948 -3.185 13.496 526 H HIS 73 H HIS 73 -14.843 -3.634 10.382 527 HA HIS 73 HA HIS 73 -12.889 -5.605 11.348 528 HB2 HIS 73 2HB HIS 73 -14.342 -5.287 8.724 529 HB3 HIS 73 1HB HIS 73 -13.006 -6.416 8.924 530 HD1 HIS 73 HD1 HIS 73 -16.587 -5.950 9.728 531 HD2 HIS 73 HD2 HIS 73 -13.545 -8.615 10.617 532 HE1 HIS 73 HE1 HIS 73 -17.734 -7.959 10.675 533 HE2 HIS 73 HE2 HIS 73 -15.848 -9.405 11.502 534 H GLU 74 H GLU 74 -10.751 -5.198 11.289 535 HA GLU 74 HA GLU 74 -9.776 -3.131 9.400 536 HB2 GLU 74 2HB GLU 74 -9.562 -2.534 11.791 537 HB3 GLU 74 1HB GLU 74 -8.583 -3.969 12.056 538 HG2 GLU 74 2HG GLU 74 -6.866 -3.096 10.560 539 HG3 GLU 74 1HG GLU 74 -7.853 -1.673 10.239 540 H VAL 75 H VAL 75 -8.064 -3.565 8.054 541 HA VAL 75 HA VAL 75 -6.574 -6.079 8.395 542 HB VAL 75 HB VAL 75 -6.707 -6.542 5.950 543 HG11 VAL 75 1HG1 VAL 75 -9.403 -6.495 7.322 544 HG12 VAL 75 2HG1 VAL 75 -8.164 -7.730 7.538 545 HG13 VAL 75 3HG1 VAL 75 -8.934 -7.526 5.966 546 HG21 VAL 75 3HG2 VAL 75 -7.257 -4.316 5.149 547 HG22 VAL 75 1HG2 VAL 75 -8.816 -4.374 5.974 548 HG23 VAL 75 2HG2 VAL 75 -8.489 -5.464 4.626 549 H THR 76 H THR 76 -4.482 -6.108 7.398 550 HA THR 76 HA THR 76 -3.524 -3.579 6.240 551 HB THR 76 HB THR 76 -2.985 -3.427 8.629 552 HG1 THR 76 HG1 THR 76 -1.276 -2.444 7.884 553 HG21 THR 76 3HG2 THR 76 -1.367 -4.987 9.647 554 HG22 THR 76 1HG2 THR 76 -1.412 -5.974 8.188 555 HG23 THR 76 2HG2 THR 76 -2.859 -5.805 9.182 556 H ALA 77 H ALA 77 -1.556 -3.751 5.040 557 HA ALA 77 HA ALA 77 -0.507 -6.413 4.454 558 HB1 ALA 77 3HB ALA 77 -2.404 -6.233 2.928 559 HB2 ALA 77 1HB ALA 77 -0.878 -6.225 2.042 560 HB3 ALA 77 2HB ALA 77 -1.764 -4.719 2.292 561 H LYS 78 H LYS 78 1.439 -6.303 2.988 562 HA LYS 78 HA LYS 78 2.771 -3.669 3.148 563 HB2 LYS 78 2HB LYS 78 3.988 -6.374 3.753 564 HB3 LYS 78 1HB LYS 78 4.918 -4.892 3.574 565 HG2 LYS 78 2HG LYS 78 3.590 -3.922 5.460 566 HG3 LYS 78 1HG LYS 78 2.858 -5.508 5.687 567 HD2 LYS 78 2HD LYS 78 5.824 -4.950 5.836 568 HD3 LYS 78 1HD LYS 78 4.751 -5.037 7.230 569 HE2 LYS 78 2HE LYS 78 5.760 -7.156 7.118 570 HE3 LYS 78 1HE LYS 78 4.154 -7.384 6.436 571 HZ1 LYS 78 3HZ LYS 78 5.937 -8.489 5.173 572 HZ2 LYS 78 1HZ LYS 78 6.619 -6.986 4.821 573 HZ3 LYS 78 2HZ LYS 78 5.081 -7.381 4.235 574 H GLN 79 H GLN 79 4.392 -3.224 1.598 575 HA GLN 79 HA GLN 79 4.443 -4.957 -0.792 576 HB2 GLN 79 2HB GLN 79 2.994 -3.094 -1.327 577 HB3 GLN 79 1HB GLN 79 4.167 -1.940 -0.703 578 HG2 GLN 79 2HG GLN 79 5.728 -2.614 -2.504 579 HG3 GLN 79 1HG GLN 79 4.479 -3.675 -3.148 580 HE21 GLN 79 1HE2 GLN 79 3.787 -0.521 -1.779 581 HE22 GLN 79 2HE2 GLN 79 3.338 0.222 -3.266 582 H THR 80 H THR 80 6.457 -5.505 -1.379 583 HA THR 80 HA THR 80 8.722 -4.241 -0.036 584 HB THR 80 HB THR 80 8.624 -6.703 -1.802 585 HG1 THR 80 HG1 THR 80 8.026 -7.705 -0.040 586 HG21 THR 80 3HG2 THR 80 10.859 -5.690 -1.760 587 HG22 THR 80 1HG2 THR 80 10.833 -7.217 -0.875 588 HG23 THR 80 2HG2 THR 80 10.827 -5.688 0.005 589 H VAL 81 H VAL 81 9.413 -2.403 -1.052 590 HA VAL 81 HA VAL 81 9.511 -2.331 -3.991 591 HB VAL 81 HB VAL 81 9.996 -0.092 -2.003 592 HG11 VAL 81 1HG1 VAL 81 9.580 -0.001 -4.997 593 HG12 VAL 81 2HG1 VAL 81 11.100 0.292 -4.151 594 HG13 VAL 81 3HG1 VAL 81 9.745 1.398 -3.934 595 HG21 VAL 81 3HG2 VAL 81 7.750 0.700 -2.622 596 HG22 VAL 81 1HG2 VAL 81 7.690 -0.899 -1.879 597 HG23 VAL 81 2HG2 VAL 81 7.524 -0.732 -3.627 598 H THR 82 H THR 82 11.383 -2.378 -5.134 599 HA THR 82 HA THR 82 13.935 -2.281 -3.634 600 HB THR 82 HB THR 82 13.294 -4.068 -5.997 601 HG1 THR 82 HG1 THR 82 13.813 -4.720 -3.257 602 HG21 THR 82 3HG2 THR 82 15.638 -3.318 -5.991 603 HG22 THR 82 1HG2 THR 82 15.507 -5.039 -5.624 604 HG23 THR 82 2HG2 THR 82 15.811 -3.882 -4.328 605 H VAL 83 H VAL 83 15.242 -0.716 -4.267 606 HA VAL 83 HA VAL 83 14.915 0.518 -6.913 607 HB VAL 83 HB VAL 83 16.582 1.527 -4.595 608 HG11 VAL 83 1HG1 VAL 83 16.425 3.695 -5.753 609 HG12 VAL 83 2HG1 VAL 83 15.537 2.921 -7.067 610 HG13 VAL 83 3HG1 VAL 83 17.213 2.469 -6.749 611 HG21 VAL 83 3HG2 VAL 83 14.257 1.359 -3.877 612 HG22 VAL 83 1HG2 VAL 83 13.736 2.266 -5.298 613 HG23 VAL 83 2HG2 VAL 83 14.729 3.047 -4.066 614 H LYS 84 H LYS 84 16.445 0.275 -8.471 615 HA LYS 84 HA LYS 84 19.102 -0.730 -7.672 616 HB2 LYS 84 2HB LYS 84 19.199 -1.931 -9.865 617 HB3 LYS 84 1HB LYS 84 18.014 -2.567 -8.732 618 HG2 LYS 84 2HG LYS 84 16.207 -1.556 -9.946 619 HG3 LYS 84 1HG LYS 84 17.338 -0.688 -10.988 620 HD2 LYS 84 2HD LYS 84 16.376 -2.673 -12.098 621 HD3 LYS 84 1HD LYS 84 18.129 -2.776 -11.938 622 HE2 LYS 84 2HE LYS 84 17.792 -4.181 -9.901 623 HE3 LYS 84 1HE LYS 84 16.060 -4.167 -10.234 624 HZ1 LYS 84 3HZ LYS 84 18.138 -5.206 -12.079 625 HZ2 LYS 84 1HZ LYS 84 16.464 -5.261 -12.325 626 HZ3 LYS 84 2HZ LYS 84 17.171 -6.159 -11.076 627 H VAL 85 H VAL 85 20.835 -0.278 -9.281 628 HA VAL 85 HA VAL 85 20.657 2.576 -9.905 629 HB VAL 85 HB VAL 85 23.113 0.806 -9.839 630 HG11 VAL 85 1HG1 VAL 85 23.409 2.856 -11.140 631 HG12 VAL 85 2HG1 VAL 85 24.353 2.906 -9.650 632 HG13 VAL 85 3HG1 VAL 85 22.843 3.815 -9.769 633 HG21 VAL 85 3HG2 VAL 85 22.016 0.831 -7.658 634 HG22 VAL 85 1HG2 VAL 85 21.995 2.595 -7.676 635 HG23 VAL 85 2HG2 VAL 85 23.533 1.731 -7.611 636 H ARG 86 H ARG 86 20.390 3.278 -11.934 637 HA ARG 86 HA ARG 86 21.169 1.584 -14.193 638 HB2 ARG 86 2HB ARG 86 20.131 3.496 -15.557 639 HB3 ARG 86 1HB ARG 86 19.052 2.503 -14.591 640 HG2 ARG 86 2HG ARG 86 18.846 4.221 -12.925 641 HG3 ARG 86 1HG ARG 86 20.091 5.199 -13.711 642 HD2 ARG 86 2HD ARG 86 18.693 5.691 -15.550 643 HD3 ARG 86 1HD ARG 86 17.569 4.394 -15.149 644 HE ARG 86 HE ARG 86 16.764 5.731 -13.323 645 HH11 ARG 86 1HH1 ARG 86 18.847 7.423 -15.497 646 HH12 ARG 86 2HH1 ARG 86 18.194 8.967 -15.073 647 HH21 ARG 86 1HH2 ARG 86 15.930 7.678 -12.826 648 HH22 ARG 86 2HH2 ARG 86 16.540 9.111 -13.586 649 H GLU 87 H GLU 87 21.806 4.879 -12.989 650 HA GLU 87 HA GLU 87 24.284 4.934 -14.574 651 HB2 GLU 87 2HB GLU 87 24.275 7.399 -14.037 652 HB3 GLU 87 1HB GLU 87 22.941 6.848 -15.041 653 HG2 GLU 87 2HG GLU 87 21.538 6.758 -12.951 654 HG3 GLU 87 1HG GLU 87 22.865 7.567 -12.117 655 H GLU 88 H GLU 88 26.121 4.469 -13.557 656 HA GLU 88 HA GLU 88 26.222 3.822 -10.814 657 HB2 GLU 88 2HB GLU 88 28.509 4.285 -12.742 658 HB3 GLU 88 1HB GLU 88 28.657 3.531 -11.159 659 HG2 GLU 88 2HG GLU 88 27.118 1.739 -11.919 660 HG3 GLU 88 1HG GLU 88 27.113 2.471 -13.523 661 H VAL 89 H VAL 89 27.575 4.698 -9.143 662 HA VAL 89 HA VAL 89 27.289 7.467 -8.729 663 HB VAL 89 HB VAL 89 28.778 7.133 -6.752 664 HG11 VAL 89 1HG1 VAL 89 26.565 5.103 -7.126 665 HG12 VAL 89 2HG1 VAL 89 26.386 6.759 -6.545 666 HG13 VAL 89 3HG1 VAL 89 27.258 5.575 -5.574 667 HG21 VAL 89 3HG2 VAL 89 29.527 4.850 -6.207 668 HG22 VAL 89 1HG2 VAL 89 30.283 5.450 -7.683 669 HG23 VAL 89 2HG2 VAL 89 28.955 4.294 -7.781 670 H LYS 90 H LYS 90 28.715 9.176 -8.762 671 HA LYS 90 HA LYS 90 30.705 8.994 -10.861 672 HB2 LYS 90 2HB LYS 90 30.743 11.428 -10.748 673 HB3 LYS 90 1HB LYS 90 29.082 10.848 -10.784 674 HG2 LYS 90 2HG LYS 90 28.991 11.119 -8.308 675 HG3 LYS 90 1HG LYS 90 30.601 11.836 -8.369 676 HD2 LYS 90 2HD LYS 90 28.926 13.586 -8.287 677 HD3 LYS 90 1HD LYS 90 29.725 13.606 -9.860 678 HE2 LYS 90 2HE LYS 90 27.846 12.495 -10.886 679 HE3 LYS 90 1HE LYS 90 27.078 12.259 -9.316 680 HZ1 LYS 90 3HZ LYS 90 27.656 14.922 -10.484 681 HZ2 LYS 90 1HZ LYS 90 26.743 14.591 -9.102 682 HZ3 LYS 90 2HZ LYS 90 26.166 14.138 -10.629 683 H ASN 91 H ASN 91 32.650 10.658 -10.445 684 HA ASN 91 HA ASN 91 33.778 10.661 -7.808 685 HB2 ASN 91 2HB ASN 91 34.287 8.333 -8.595 686 HB3 ASN 91 1HB ASN 91 35.210 9.026 -9.923 687 HD21 ASN 91 1HD2 ASN 91 37.017 7.871 -9.097 688 HD22 ASN 91 2HD2 ASN 91 37.918 8.500 -7.762 689 H ASP 92 H ASP 92 35.750 11.979 -7.691 690 HA ASP 92 HA ASP 92 35.516 14.169 -9.555 691 HB2 ASP 92 2HB ASP 92 37.062 15.341 -8.059 692 HB3 ASP 92 1HB ASP 92 35.749 14.586 -7.162 693 H LYS 93 H LYS 93 37.071 11.430 -10.096 694 HA LYS 93 HA LYS 93 39.492 12.624 -11.267 695 HB2 LYS 93 2HB LYS 93 40.224 10.331 -11.676 696 HB3 LYS 93 1HB LYS 93 39.758 10.520 -9.990 697 HG2 LYS 93 2HG LYS 93 37.766 9.311 -10.286 698 HG3 LYS 93 1HG LYS 93 37.853 9.433 -12.042 699 HD2 LYS 93 2HD LYS 93 39.784 7.879 -10.310 700 HD3 LYS 93 1HD LYS 93 38.434 7.181 -11.204 701 HE2 LYS 93 2HE LYS 93 39.456 8.104 -13.304 702 HE3 LYS 93 1HE LYS 93 40.862 8.564 -12.344 703 HZ1 LYS 93 3HZ LYS 93 39.837 5.818 -12.799 704 HZ2 LYS 93 1HZ LYS 93 41.084 6.197 -11.721 705 HZ3 LYS 93 2HZ LYS 93 41.281 6.473 -13.374 706 HA PRO 94 HA PRO 94 37.846 12.311 -15.485 707 HB2 PRO 94 2HB PRO 94 40.005 11.276 -16.845 708 HB3 PRO 94 1HB PRO 94 39.844 12.981 -16.409 709 HG2 PRO 94 2HG PRO 94 41.384 10.809 -15.035 710 HG3 PRO 94 1HG PRO 94 41.857 12.490 -15.346 711 HD2 PRO 94 2HD PRO 94 40.987 11.676 -12.925 712 HD3 PRO 94 1HD PRO 94 40.627 13.299 -13.550 713 H ILE 95 H ILE 95 36.277 10.711 -15.275 714 HA ILE 95 HA ILE 95 37.078 7.909 -15.033 715 HB ILE 95 HB ILE 95 34.695 7.430 -14.695 716 HG12 ILE 95 2HG1 ILE 95 34.295 10.422 -15.021 717 HG13 ILE 95 1HG1 ILE 95 33.789 9.202 -16.185 718 HG21 ILE 95 1HG2 ILE 95 34.428 8.610 -12.555 719 HG22 ILE 95 2HG2 ILE 95 35.710 9.731 -13.012 720 HG23 ILE 95 3HG2 ILE 95 36.077 8.023 -12.771 721 HD11 ILE 95 3HD1 ILE 95 32.251 8.271 -14.531 722 HD12 ILE 95 1HD1 ILE 95 31.924 9.973 -14.850 723 HD13 ILE 95 2HD1 ILE 95 32.759 9.499 -13.371 724 H LEU 96 H LEU 96 35.603 6.309 -16.282 725 HA LEU 96 HA LEU 96 35.764 7.015 -19.131 726 HB2 LEU 96 2HB LEU 96 37.029 5.039 -18.268 727 HB3 LEU 96 1HB LEU 96 35.498 4.292 -17.847 728 HG LEU 96 HG LEU 96 34.851 4.311 -20.246 729 HD11 LEU 96 1HD1 LEU 96 36.168 6.197 -21.011 730 HD12 LEU 96 2HD1 LEU 96 36.574 4.757 -21.942 731 HD13 LEU 96 3HD1 LEU 96 37.664 5.324 -20.677 732 HD21 LEU 96 3HD2 LEU 96 35.881 2.321 -19.260 733 HD22 LEU 96 1HD2 LEU 96 37.482 2.938 -19.667 734 HD23 LEU 96 2HD2 LEU 96 36.348 2.510 -20.948 735 H GLU 97 H GLU 97 33.952 7.249 -20.319 736 HA GLU 97 HA GLU 97 31.403 7.410 -19.165 737 HB2 GLU 97 2HB GLU 97 32.092 7.096 -22.098 738 HB3 GLU 97 1HB GLU 97 30.584 7.731 -21.455 739 HG2 GLU 97 2HG GLU 97 33.305 8.996 -21.147 740 HG3 GLU 97 1HG GLU 97 32.047 9.505 -22.271 Start of MODEL 10 1 H1 MET 1 1H MET 1 -39.025 1.988 5.445 2 H2 MET 1 2H MET 1 -39.324 0.943 6.739 3 H3 MET 1 3H MET 1 -38.052 0.623 5.675 4 HA MET 1 HA MET 1 -36.917 2.636 6.391 5 HB2 MET 1 2HB MET 1 -39.191 2.805 8.389 6 HB3 MET 1 1HB MET 1 -37.750 3.812 8.408 7 HG2 MET 1 2HG MET 1 -38.380 4.739 6.228 8 HG3 MET 1 1HG MET 1 -39.838 3.746 6.236 9 HE1 MET 1 3HE MET 1 -41.280 5.952 5.800 10 HE2 MET 1 1HE MET 1 -39.835 6.967 5.853 11 HE3 MET 1 2HE MET 1 -41.234 7.372 6.846 12 H GLY 2 H GLY 2 -35.260 2.364 7.896 13 HA2 GLY 2 2HA GLY 2 -34.303 1.582 9.907 14 HA3 GLY 2 1HA GLY 2 -35.658 0.489 10.113 15 H ASN 3 H ASN 3 -32.463 0.876 8.864 16 HA ASN 3 HA ASN 3 -32.423 -1.826 7.729 17 HB2 ASN 3 2HB ASN 3 -30.322 0.350 7.841 18 HB3 ASN 3 1HB ASN 3 -30.058 -1.235 7.119 19 HD21 ASN 3 1HD2 ASN 3 -32.730 -1.434 6.015 20 HD22 ASN 3 2HD2 ASN 3 -32.773 -0.349 4.674 21 H GLY 4 H GLY 4 -30.054 -2.897 8.298 22 HA2 GLY 4 2HA GLY 4 -29.601 -2.752 11.194 23 HA3 GLY 4 1HA GLY 4 -30.153 -4.286 10.540 24 H GLU 5 H GLU 5 -27.728 -3.960 11.929 25 HA GLU 5 HA GLU 5 -25.570 -3.803 10.013 26 HB2 GLU 5 2HB GLU 5 -25.467 -4.709 12.899 27 HB3 GLU 5 1HB GLU 5 -24.100 -4.235 11.898 28 HG2 GLU 5 2HG GLU 5 -26.348 -2.425 12.776 29 HG3 GLU 5 1HG GLU 5 -24.740 -2.490 13.491 30 H THR 6 H THR 6 -25.920 -5.452 8.544 31 HA THR 6 HA THR 6 -26.388 -8.180 9.345 32 HB THR 6 HB THR 6 -26.245 -8.705 6.942 33 HG1 THR 6 HG1 THR 6 -25.570 -7.220 5.482 34 HG21 THR 6 3HG2 THR 6 -28.133 -7.366 6.169 35 HG22 THR 6 1HG2 THR 6 -27.852 -6.194 7.458 36 HG23 THR 6 2HG2 THR 6 -28.365 -7.833 7.855 37 H SER 7 H SER 7 -24.916 -9.800 7.839 38 HA SER 7 HA SER 7 -22.390 -9.944 9.089 39 HB2 SER 7 2HB SER 7 -23.356 -11.345 6.579 40 HB3 SER 7 1HB SER 7 -21.929 -11.792 7.513 41 HG SER 7 HG SER 7 -23.917 -12.991 7.985 42 H ASP 8 H ASP 8 -20.867 -8.447 8.789 43 HA ASP 8 HA ASP 8 -20.648 -7.004 6.281 44 HB2 ASP 8 2HB ASP 8 -20.557 -5.903 8.541 45 HB3 ASP 8 1HB ASP 8 -19.001 -6.679 8.790 46 H LEU 9 H LEU 9 -19.256 -7.499 4.703 47 HA LEU 9 HA LEU 9 -17.044 -9.339 5.166 48 HB2 LEU 9 2HB LEU 9 -17.884 -7.898 2.642 49 HB3 LEU 9 1HB LEU 9 -16.697 -9.186 2.743 50 HG LEU 9 HG LEU 9 -19.661 -9.448 3.289 51 HD11 LEU 9 1HD1 LEU 9 -19.697 -10.829 1.281 52 HD12 LEU 9 2HD1 LEU 9 -17.978 -10.524 1.025 53 HD13 LEU 9 3HD1 LEU 9 -19.137 -9.197 0.919 54 HD21 LEU 9 3HD2 LEU 9 -17.492 -11.550 3.360 55 HD22 LEU 9 1HD2 LEU 9 -19.227 -11.856 3.486 56 HD23 LEU 9 2HD2 LEU 9 -18.401 -10.936 4.742 57 H GLU 10 H GLU 10 -15.130 -8.585 5.871 58 HA GLU 10 HA GLU 10 -14.397 -5.922 6.121 59 HB2 GLU 10 2HB GLU 10 -12.033 -6.768 6.371 60 HB3 GLU 10 1HB GLU 10 -13.214 -7.517 7.431 61 HG2 GLU 10 2HG GLU 10 -12.535 -8.851 4.848 62 HG3 GLU 10 1HG GLU 10 -11.398 -8.944 6.191 63 HA PRO 11 HA PRO 11 -13.453 -4.284 2.236 64 HB2 PRO 11 2HB PRO 11 -10.868 -3.213 3.266 65 HB3 PRO 11 1HB PRO 11 -12.254 -2.356 2.580 66 HG2 PRO 11 2HG PRO 11 -11.719 -2.298 5.209 67 HG3 PRO 11 1HG PRO 11 -13.380 -2.294 4.591 68 HD2 PRO 11 2HD PRO 11 -11.821 -4.523 5.823 69 HD3 PRO 11 1HD PRO 11 -13.552 -4.146 5.951 70 H LYS 12 H LYS 12 -12.478 -4.967 0.361 71 HA LYS 12 HA LYS 12 -10.354 -6.927 0.470 72 HB2 LYS 12 2HB LYS 12 -12.233 -7.169 -1.115 73 HB3 LYS 12 1HB LYS 12 -11.763 -5.671 -1.900 74 HG2 LYS 12 2HG LYS 12 -10.954 -7.356 -3.304 75 HG3 LYS 12 1HG LYS 12 -9.539 -6.808 -2.413 76 HD2 LYS 12 2HD LYS 12 -11.147 -9.203 -1.536 77 HD3 LYS 12 1HD LYS 12 -9.858 -9.336 -2.728 78 HE2 LYS 12 2HE LYS 12 -9.522 -8.263 0.079 79 HE3 LYS 12 1HE LYS 12 -9.123 -9.900 -0.434 80 HZ1 LYS 12 3HZ LYS 12 -7.903 -7.476 -1.635 81 HZ2 LYS 12 1HZ LYS 12 -7.422 -9.082 -1.847 82 HZ3 LYS 12 2HZ LYS 12 -7.212 -8.326 -0.347 83 H LEU 13 H LEU 13 -8.396 -6.093 0.959 84 HA LEU 13 HA LEU 13 -7.508 -3.552 -0.169 85 HB2 LEU 13 2HB LEU 13 -7.090 -4.039 2.198 86 HB3 LEU 13 1HB LEU 13 -6.174 -5.465 1.758 87 HG LEU 13 HG LEU 13 -4.488 -3.997 0.651 88 HD11 LEU 13 1HD1 LEU 13 -4.515 -1.599 1.085 89 HD12 LEU 13 2HD1 LEU 13 -6.081 -1.748 1.883 90 HD13 LEU 13 3HD1 LEU 13 -5.933 -2.088 0.158 91 HD21 LEU 13 3HD2 LEU 13 -5.023 -3.396 3.565 92 HD22 LEU 13 1HD2 LEU 13 -3.489 -3.155 2.726 93 HD23 LEU 13 2HD2 LEU 13 -4.133 -4.783 2.934 94 H THR 14 H THR 14 -6.507 -3.484 -2.092 95 HA THR 14 HA THR 14 -5.140 -5.849 -3.137 96 HB THR 14 HB THR 14 -5.687 -3.183 -4.477 97 HG1 THR 14 HG1 THR 14 -7.273 -4.467 -5.626 98 HG21 THR 14 3HG2 THR 14 -3.747 -4.309 -5.459 99 HG22 THR 14 1HG2 THR 14 -5.121 -4.363 -6.564 100 HG23 THR 14 2HG2 THR 14 -4.683 -5.794 -5.634 101 H VAL 15 H VAL 15 -3.094 -6.080 -2.473 102 HA VAL 15 HA VAL 15 -1.232 -3.842 -2.850 103 HB VAL 15 HB VAL 15 -1.291 -5.588 -0.367 104 HG11 VAL 15 1HG1 VAL 15 1.006 -5.189 -1.051 105 HG12 VAL 15 2HG1 VAL 15 0.638 -4.231 0.384 106 HG13 VAL 15 3HG1 VAL 15 0.692 -3.461 -1.201 107 HG21 VAL 15 3HG2 VAL 15 -2.950 -3.789 -0.311 108 HG22 VAL 15 1HG2 VAL 15 -1.695 -2.607 -0.674 109 HG23 VAL 15 2HG2 VAL 15 -1.656 -3.493 0.850 110 HA PRO 16 HA PRO 16 0.864 -7.318 -4.827 111 HB2 PRO 16 2HB PRO 16 2.858 -5.900 -5.978 112 HB3 PRO 16 1HB PRO 16 1.210 -5.904 -6.615 113 HG2 PRO 16 2HG PRO 16 2.593 -3.848 -4.944 114 HG3 PRO 16 1HG PRO 16 1.481 -3.620 -6.303 115 HD2 PRO 16 2HD PRO 16 0.759 -3.399 -3.654 116 HD3 PRO 16 1HD PRO 16 -0.370 -3.791 -4.963 117 H VAL 17 H VAL 17 2.801 -8.493 -4.472 118 HA VAL 17 HA VAL 17 3.793 -8.325 -1.838 119 HB VAL 17 HB VAL 17 3.629 -10.446 -3.023 120 HG11 VAL 17 1HG1 VAL 17 5.902 -9.454 -4.749 121 HG12 VAL 17 2HG1 VAL 17 4.231 -9.672 -5.266 122 HG13 VAL 17 3HG1 VAL 17 5.195 -11.068 -4.789 123 HG21 VAL 17 3HG2 VAL 17 5.785 -11.419 -2.378 124 HG22 VAL 17 1HG2 VAL 17 5.203 -10.287 -1.154 125 HG23 VAL 17 2HG2 VAL 17 6.487 -9.805 -2.263 126 H GLY 18 H GLY 18 5.086 -7.077 -4.869 127 HA2 GLY 18 2HA GLY 18 7.066 -5.549 -3.414 128 HA3 GLY 18 1HA GLY 18 7.750 -6.809 -4.427 129 H ALA 19 H ALA 19 8.439 -4.220 -4.797 130 HA ALA 19 HA ALA 19 7.503 -3.752 -7.535 131 HB1 ALA 19 3HB ALA 19 7.690 -1.561 -5.454 132 HB2 ALA 19 1HB ALA 19 6.199 -2.210 -6.135 133 HB3 ALA 19 2HB ALA 19 7.331 -1.338 -7.167 134 H THR 20 H THR 20 9.109 -2.653 -8.848 135 HA THR 20 HA THR 20 11.762 -2.355 -7.600 136 HB THR 20 HB THR 20 11.260 -4.010 -10.086 137 HG1 THR 20 HG1 THR 20 11.268 -4.661 -7.499 138 HG21 THR 20 3HG2 THR 20 13.685 -4.453 -10.034 139 HG22 THR 20 1HG2 THR 20 13.859 -3.323 -8.689 140 HG23 THR 20 2HG2 THR 20 13.350 -2.738 -10.273 141 H ILE 21 H ILE 21 12.564 -0.442 -8.081 142 HA ILE 21 HA ILE 21 12.057 0.744 -10.738 143 HB ILE 21 HB ILE 21 11.885 2.980 -9.696 144 HG12 ILE 21 2HG1 ILE 21 11.808 1.451 -7.076 145 HG13 ILE 21 1HG1 ILE 21 13.127 2.485 -7.614 146 HG21 ILE 21 1HG2 ILE 21 9.852 0.994 -8.669 147 HG22 ILE 21 2HG2 ILE 21 9.845 1.765 -10.256 148 HG23 ILE 21 3HG2 ILE 21 9.611 2.736 -8.803 149 HD11 ILE 21 3HD1 ILE 21 11.634 4.419 -7.550 150 HD12 ILE 21 1HD1 ILE 21 11.733 3.615 -5.984 151 HD13 ILE 21 2HD1 ILE 21 10.316 3.382 -7.007 152 H HIS 22 H HIS 22 13.583 2.775 -10.986 153 HA HIS 22 HA HIS 22 16.272 1.963 -10.083 154 HB2 HIS 22 2HB HIS 22 15.463 3.555 -12.525 155 HB3 HIS 22 1HB HIS 22 17.123 3.202 -12.053 156 HD1 HIS 22 HD1 HIS 22 14.269 1.824 -13.885 157 HD2 HIS 22 HD2 HIS 22 17.780 0.375 -12.185 158 HE1 HIS 22 HE1 HIS 22 14.615 -0.443 -14.897 159 HE2 HIS 22 HE2 HIS 22 16.811 -1.238 -13.976 160 H VAL 23 H VAL 23 17.799 3.593 -9.532 161 HA VAL 23 HA VAL 23 16.922 5.704 -7.932 162 HB VAL 23 HB VAL 23 19.583 5.356 -9.342 163 HG11 VAL 23 1HG1 VAL 23 19.300 7.688 -8.715 164 HG12 VAL 23 2HG1 VAL 23 20.490 6.920 -7.660 165 HG13 VAL 23 3HG1 VAL 23 18.852 7.218 -7.075 166 HG21 VAL 23 3HG2 VAL 23 19.067 3.517 -7.832 167 HG22 VAL 23 1HG2 VAL 23 18.708 4.653 -6.528 168 HG23 VAL 23 2HG2 VAL 23 20.354 4.514 -7.151 169 H GLY 24 H GLY 24 16.162 7.695 -8.385 170 HA2 GLY 24 2HA GLY 24 16.113 9.767 -9.518 171 HA3 GLY 24 1HA GLY 24 16.888 9.016 -10.902 172 H ASP 25 H ASP 25 14.401 7.017 -9.918 173 HA ASP 25 HA ASP 25 12.626 8.075 -12.000 174 HB2 ASP 25 2HB ASP 25 12.878 5.381 -10.675 175 HB3 ASP 25 1HB ASP 25 11.447 5.806 -11.610 176 H SER 26 H SER 26 10.247 7.858 -11.633 177 HA SER 26 HA SER 26 9.560 9.086 -9.063 178 HB2 SER 26 2HB SER 26 7.901 8.800 -11.585 179 HB3 SER 26 1HB SER 26 7.448 9.721 -10.150 180 HG SER 26 HG SER 26 9.507 10.903 -10.562 181 H PHE 27 H PHE 27 8.185 8.223 -7.581 182 HA PHE 27 HA PHE 27 6.857 5.665 -8.197 183 HB2 PHE 27 2HB PHE 27 8.955 5.108 -7.069 184 HB3 PHE 27 1HB PHE 27 8.569 6.217 -5.757 185 HD1 PHE 27 HD2 PHE 27 7.195 3.210 -7.497 186 HD2 PHE 27 HD1 PHE 27 7.571 5.365 -3.840 187 HE1 PHE 27 HE2 PHE 27 6.068 1.378 -6.302 188 HE2 PHE 27 HE1 PHE 27 6.449 3.535 -2.643 189 HZ PHE 27 HZ PHE 27 5.694 1.538 -3.876 190 H VAL 28 H VAL 28 4.777 5.618 -7.567 191 HA VAL 28 HA VAL 28 3.902 7.447 -5.412 192 HB VAL 28 HB VAL 28 2.285 6.718 -7.868 193 HG11 VAL 28 1HG1 VAL 28 1.681 8.606 -5.586 194 HG12 VAL 28 2HG1 VAL 28 0.886 7.064 -5.907 195 HG13 VAL 28 3HG1 VAL 28 0.698 8.405 -7.038 196 HG21 VAL 28 3HG2 VAL 28 3.635 9.323 -7.137 197 HG22 VAL 28 1HG2 VAL 28 2.554 9.079 -8.511 198 HG23 VAL 28 2HG2 VAL 28 4.103 8.237 -8.447 199 HA PRO 29 HA PRO 29 2.893 3.253 -3.892 200 HB2 PRO 29 2HB PRO 29 2.465 4.067 -1.298 201 HB3 PRO 29 1HB PRO 29 4.051 3.662 -1.963 202 HG2 PRO 29 2HG PRO 29 2.785 6.353 -1.586 203 HG3 PRO 29 1HG PRO 29 4.456 5.845 -1.266 204 HD2 PRO 29 2HD PRO 29 3.796 7.225 -3.483 205 HD3 PRO 29 1HD PRO 29 5.058 5.975 -3.507 206 H MET 30 H MET 30 1.027 6.226 -3.328 207 HA MET 30 HA MET 30 -1.326 4.794 -2.473 208 HB2 MET 30 2HB MET 30 -0.847 7.703 -3.116 209 HB3 MET 30 1HB MET 30 -2.398 7.079 -2.576 210 HG2 MET 30 2HG MET 30 0.005 6.510 -0.913 211 HG3 MET 30 1HG MET 30 -0.663 8.138 -0.897 212 HE1 MET 30 3HE MET 30 -2.694 4.684 -1.226 213 HE2 MET 30 1HE MET 30 -2.988 4.368 0.485 214 HE3 MET 30 2HE MET 30 -1.341 4.340 -0.147 215 H ALA 31 H ALA 31 -0.036 5.311 -5.520 216 HA ALA 31 HA ALA 31 -2.621 5.533 -6.868 217 HB1 ALA 31 3HB ALA 31 -0.756 6.847 -7.745 218 HB2 ALA 31 1HB ALA 31 -1.332 5.685 -8.938 219 HB3 ALA 31 2HB ALA 31 0.155 5.368 -8.044 220 H GLU 32 H GLU 32 -0.044 3.162 -6.389 221 HA GLU 32 HA GLU 32 -1.471 1.228 -8.072 222 HB2 GLU 32 2HB GLU 32 1.332 1.219 -6.943 223 HB3 GLU 32 1HB GLU 32 0.642 -0.117 -7.861 224 HG2 GLU 32 2HG GLU 32 0.345 1.320 -9.795 225 HG3 GLU 32 1HG GLU 32 0.941 2.705 -8.883 226 H VAL 33 H VAL 33 -1.879 2.080 -5.064 227 HA VAL 33 HA VAL 33 -2.499 -0.676 -4.191 228 HB VAL 33 HB VAL 33 -1.730 1.661 -2.413 229 HG11 VAL 33 1HG1 VAL 33 -3.463 0.280 -1.362 230 HG12 VAL 33 2HG1 VAL 33 -1.914 0.077 -0.542 231 HG13 VAL 33 3HG1 VAL 33 -2.496 -1.168 -1.650 232 HG21 VAL 33 3HG2 VAL 33 -0.292 -0.941 -2.982 233 HG22 VAL 33 1HG2 VAL 33 0.212 0.274 -1.808 234 HG23 VAL 33 2HG2 VAL 33 0.201 0.663 -3.527 235 H LEU 34 H LEU 34 -4.569 -1.007 -3.318 236 HA LEU 34 HA LEU 34 -6.449 1.239 -3.323 237 HB2 LEU 34 2HB LEU 34 -6.315 0.494 -5.644 238 HB3 LEU 34 1HB LEU 34 -6.672 -1.148 -5.167 239 HG LEU 34 HG LEU 34 -8.710 0.926 -4.495 240 HD11 LEU 34 1HD1 LEU 34 -9.691 0.792 -6.741 241 HD12 LEU 34 2HD1 LEU 34 -8.284 -0.117 -7.299 242 HD13 LEU 34 3HD1 LEU 34 -8.100 1.554 -6.767 243 HD21 LEU 34 3HD2 LEU 34 -9.075 -1.400 -3.857 244 HD22 LEU 34 1HD2 LEU 34 -8.859 -1.915 -5.531 245 HD23 LEU 34 2HD2 LEU 34 -10.241 -0.910 -5.085 246 H ALA 35 H ALA 35 -8.504 0.759 -2.308 247 HA ALA 35 HA ALA 35 -8.829 -1.873 -1.056 248 HB1 ALA 35 3HB ALA 35 -7.497 -0.580 0.551 249 HB2 ALA 35 1HB ALA 35 -9.098 -0.957 1.187 250 HB3 ALA 35 2HB ALA 35 -8.747 0.663 0.584 251 H ILE 36 H ILE 36 -10.907 -2.506 -1.209 252 HA ILE 36 HA ILE 36 -13.034 -0.445 -1.274 253 HB ILE 36 HB ILE 36 -12.925 -2.962 -2.959 254 HG12 ILE 36 2HG1 ILE 36 -11.466 -1.155 -3.797 255 HG13 ILE 36 1HG1 ILE 36 -12.817 -1.452 -4.884 256 HG21 ILE 36 1HG2 ILE 36 -15.199 -2.506 -2.226 257 HG22 ILE 36 2HG2 ILE 36 -15.036 -2.168 -3.949 258 HG23 ILE 36 3HG2 ILE 36 -15.071 -0.839 -2.789 259 HD11 ILE 36 3HD1 ILE 36 -12.401 0.913 -4.670 260 HD12 ILE 36 1HD1 ILE 36 -12.570 0.815 -2.917 261 HD13 ILE 36 2HD1 ILE 36 -13.963 0.511 -3.957 262 H ASP 37 H ASP 37 -14.327 -0.694 0.474 263 HA ASP 37 HA ASP 37 -14.897 -3.382 1.514 264 HB2 ASP 37 2HB ASP 37 -14.408 -1.602 3.152 265 HB3 ASP 37 1HB ASP 37 -15.758 -0.659 2.537 266 H LYS 38 H LYS 38 -17.049 -4.197 1.639 267 HA LYS 38 HA LYS 38 -18.466 -3.903 -0.751 268 HB2 LYS 38 2HB LYS 38 -18.538 -5.935 0.623 269 HB3 LYS 38 1HB LYS 38 -19.431 -5.074 1.869 270 HG2 LYS 38 2HG LYS 38 -21.316 -4.785 0.357 271 HG3 LYS 38 1HG LYS 38 -20.413 -5.562 -0.944 272 HD2 LYS 38 2HD LYS 38 -20.320 -7.640 0.364 273 HD3 LYS 38 1HD LYS 38 -21.224 -6.860 1.663 274 HE2 LYS 38 2HE LYS 38 -22.238 -7.289 -1.154 275 HE3 LYS 38 1HE LYS 38 -22.647 -8.290 0.239 276 HZ1 LYS 38 3HZ LYS 38 -23.625 -6.337 1.289 277 HZ2 LYS 38 1HZ LYS 38 -24.374 -6.684 -0.183 278 HZ3 LYS 38 2HZ LYS 38 -23.275 -5.405 -0.071 279 H GLU 39 H GLU 39 -19.602 -2.888 2.523 280 HA GLU 39 HA GLU 39 -21.703 -1.346 1.164 281 HB2 GLU 39 2HB GLU 39 -22.941 -1.288 3.103 282 HB3 GLU 39 1HB GLU 39 -22.121 -2.833 3.239 283 HG2 GLU 39 2HG GLU 39 -21.264 -0.292 4.621 284 HG3 GLU 39 1HG GLU 39 -22.230 -1.569 5.355 285 H ASP 40 H ASP 40 -18.895 -0.751 3.204 286 HA ASP 40 HA ASP 40 -19.402 2.033 3.596 287 HB2 ASP 40 2HB ASP 40 -17.952 0.453 5.015 288 HB3 ASP 40 1HB ASP 40 -16.707 0.682 3.796 289 H GLY 41 H GLY 41 -17.871 0.171 1.091 290 HA2 GLY 41 2HA GLY 41 -17.711 0.915 -1.124 291 HA3 GLY 41 1HA GLY 41 -17.812 2.573 -0.561 292 H ASP 42 H ASP 42 -16.070 3.304 -1.744 293 HA ASP 42 HA ASP 42 -13.541 2.018 -1.827 294 HB2 ASP 42 2HB ASP 42 -14.260 3.593 -3.564 295 HB3 ASP 42 1HB ASP 42 -14.256 4.908 -2.392 296 H LEU 43 H LEU 43 -12.027 1.927 -0.327 297 HA LEU 43 HA LEU 43 -11.881 4.039 1.734 298 HB2 LEU 43 2HB LEU 43 -11.260 1.094 2.060 299 HB3 LEU 43 1HB LEU 43 -11.101 2.319 3.307 300 HG LEU 43 HG LEU 43 -13.688 1.396 2.034 301 HD11 LEU 43 1HD1 LEU 43 -14.205 0.502 4.235 302 HD12 LEU 43 2HD1 LEU 43 -12.633 1.037 4.837 303 HD13 LEU 43 3HD1 LEU 43 -12.725 -0.215 3.598 304 HD21 LEU 43 3HD2 LEU 43 -13.232 3.458 4.195 305 HD22 LEU 43 1HD2 LEU 43 -14.800 2.839 3.675 306 HD23 LEU 43 2HD2 LEU 43 -13.807 3.771 2.557 307 H THR 44 H THR 44 -10.482 3.744 -0.876 308 HA THR 44 HA THR 44 -7.845 2.803 -0.551 309 HB THR 44 HB THR 44 -8.842 4.927 -2.469 310 HG1 THR 44 HG1 THR 44 -9.938 3.137 -3.032 311 HG21 THR 44 3HG2 THR 44 -6.363 3.195 -2.580 312 HG22 THR 44 1HG2 THR 44 -6.393 4.934 -2.288 313 HG23 THR 44 2HG2 THR 44 -6.908 4.291 -3.848 314 H SER 45 H SER 45 -9.223 6.042 -0.064 315 HA SER 45 HA SER 45 -6.652 7.212 0.570 316 HB2 SER 45 2HB SER 45 -8.532 8.521 -0.474 317 HB3 SER 45 1HB SER 45 -9.394 8.412 1.060 318 HG SER 45 HG SER 45 -8.306 10.139 1.573 319 H LYS 46 H LYS 46 -8.696 5.212 2.252 320 HA LYS 46 HA LYS 46 -8.210 6.274 4.920 321 HB2 LYS 46 2HB LYS 46 -9.330 3.596 4.038 322 HB3 LYS 46 1HB LYS 46 -9.314 4.194 5.688 323 HG2 LYS 46 2HG LYS 46 -10.758 5.590 3.447 324 HG3 LYS 46 1HG LYS 46 -11.503 4.357 4.462 325 HD2 LYS 46 2HD LYS 46 -10.867 5.792 6.455 326 HD3 LYS 46 1HD LYS 46 -10.446 7.057 5.295 327 HE2 LYS 46 2HE LYS 46 -12.720 7.065 4.435 328 HE3 LYS 46 1HE LYS 46 -13.151 5.730 5.504 329 HZ1 LYS 46 3HZ LYS 46 -12.410 8.487 6.294 330 HZ2 LYS 46 1HZ LYS 46 -12.602 7.215 7.392 331 HZ3 LYS 46 2HZ LYS 46 -13.916 7.742 6.470 332 H ILE 47 H ILE 47 -6.433 4.532 2.671 333 HA ILE 47 HA ILE 47 -5.274 2.514 4.291 334 HB ILE 47 HB ILE 47 -4.297 3.695 1.685 335 HG12 ILE 47 2HG1 ILE 47 -5.853 1.152 2.267 336 HG13 ILE 47 1HG1 ILE 47 -6.528 2.624 1.578 337 HG21 ILE 47 1HG2 ILE 47 -2.948 1.639 1.477 338 HG22 ILE 47 2HG2 ILE 47 -3.421 1.177 3.114 339 HG23 ILE 47 3HG2 ILE 47 -2.451 2.626 2.849 340 HD11 ILE 47 3HD1 ILE 47 -6.135 0.967 -0.138 341 HD12 ILE 47 1HD1 ILE 47 -4.430 0.876 0.309 342 HD13 ILE 47 2HD1 ILE 47 -5.085 2.363 -0.379 343 H LYS 48 H LYS 48 -3.948 2.789 5.910 344 HA LYS 48 HA LYS 48 -2.200 5.074 6.196 345 HB2 LYS 48 2HB LYS 48 -3.227 4.234 8.194 346 HB3 LYS 48 1HB LYS 48 -2.706 2.592 7.853 347 HG2 LYS 48 2HG LYS 48 -1.373 3.479 9.633 348 HG3 LYS 48 1HG LYS 48 -0.359 3.302 8.202 349 HD2 LYS 48 2HD LYS 48 -0.604 5.707 7.741 350 HD3 LYS 48 1HD LYS 48 -1.612 5.875 9.181 351 HE2 LYS 48 2HE LYS 48 1.282 5.005 9.117 352 HE3 LYS 48 1HE LYS 48 0.678 6.578 9.638 353 HZ1 LYS 48 3HZ LYS 48 1.165 5.082 11.498 354 HZ2 LYS 48 1HZ LYS 48 0.002 3.993 10.937 355 HZ3 LYS 48 2HZ LYS 48 -0.466 5.531 11.461 356 H VAL 49 H VAL 49 -0.204 5.175 5.359 357 HA VAL 49 HA VAL 49 1.132 2.708 4.476 358 HB VAL 49 HB VAL 49 1.870 5.579 3.843 359 HG11 VAL 49 1HG1 VAL 49 2.776 2.985 2.575 360 HG12 VAL 49 2HG1 VAL 49 3.742 4.015 3.631 361 HG13 VAL 49 3HG1 VAL 49 3.233 4.607 2.050 362 HG21 VAL 49 3HG2 VAL 49 0.303 3.606 2.164 363 HG22 VAL 49 1HG2 VAL 49 0.818 5.217 1.659 364 HG23 VAL 49 2HG2 VAL 49 -0.354 5.032 2.966 365 H ASP 50 H ASP 50 2.593 1.853 5.829 366 HA ASP 50 HA ASP 50 4.107 3.637 7.630 367 HB2 ASP 50 2HB ASP 50 2.674 1.936 8.742 368 HB3 ASP 50 1HB ASP 50 3.582 0.666 7.928 369 H GLY 51 H GLY 51 6.214 3.911 7.235 370 HA2 GLY 51 2HA GLY 51 8.358 2.603 6.877 371 HA3 GLY 51 1HA GLY 51 7.576 1.994 5.427 372 H GLU 52 H GLU 52 9.937 3.095 4.967 373 HA GLU 52 HA GLU 52 9.322 5.722 3.782 374 HB2 GLU 52 2HB GLU 52 10.567 6.077 5.894 375 HB3 GLU 52 1HB GLU 52 11.869 5.062 5.291 376 HG2 GLU 52 2HG GLU 52 12.418 7.426 5.086 377 HG3 GLU 52 1HG GLU 52 12.311 6.658 3.501 378 H VAL 53 H VAL 53 10.292 6.150 1.805 379 HA VAL 53 HA VAL 53 11.956 3.995 0.641 380 HB VAL 53 HB VAL 53 9.731 5.490 -0.777 381 HG11 VAL 53 1HG1 VAL 53 11.624 3.368 -1.816 382 HG12 VAL 53 2HG1 VAL 53 11.584 5.064 -2.296 383 HG13 VAL 53 3HG1 VAL 53 10.231 4.007 -2.691 384 HG21 VAL 53 3HG2 VAL 53 8.632 3.301 -0.932 385 HG22 VAL 53 1HG2 VAL 53 8.884 3.775 0.747 386 HG23 VAL 53 2HG2 VAL 53 9.939 2.573 0.003 387 H ASP 54 H ASP 54 13.825 4.682 -0.227 388 HA ASP 54 HA ASP 54 14.132 7.552 -0.833 389 HB2 ASP 54 2HB ASP 54 15.614 6.584 0.941 390 HB3 ASP 54 1HB ASP 54 16.317 5.528 -0.282 391 H THR 55 H THR 55 14.835 8.200 -2.867 392 HA THR 55 HA THR 55 14.918 6.059 -4.911 393 HB THR 55 HB THR 55 14.104 7.753 -6.520 394 HG1 THR 55 HG1 THR 55 13.182 9.716 -5.362 395 HG21 THR 55 3HG2 THR 55 12.477 6.321 -5.381 396 HG22 THR 55 1HG2 THR 55 11.806 7.927 -5.659 397 HG23 THR 55 2HG2 THR 55 12.374 7.476 -4.051 398 H THR 56 H THR 56 17.065 7.975 -3.357 399 HA THR 56 HA THR 56 18.657 8.483 -5.800 400 HB THR 56 HB THR 56 18.168 10.527 -4.527 401 HG1 THR 56 HG1 THR 56 20.908 9.705 -4.505 402 HG21 THR 56 3HG2 THR 56 19.215 10.916 -2.342 403 HG22 THR 56 1HG2 THR 56 19.786 9.247 -2.312 404 HG23 THR 56 2HG2 THR 56 18.055 9.589 -2.263 405 H LYS 57 H LYS 57 18.486 6.498 -3.072 406 HA LYS 57 HA LYS 57 21.252 5.571 -3.563 407 HB2 LYS 57 2HB LYS 57 20.682 6.794 -1.284 408 HB3 LYS 57 1HB LYS 57 19.970 5.248 -0.858 409 HG2 LYS 57 2HG LYS 57 22.837 5.622 -1.727 410 HG3 LYS 57 1HG LYS 57 22.299 5.564 -0.048 411 HD2 LYS 57 2HD LYS 57 21.444 3.279 -0.423 412 HD3 LYS 57 1HD LYS 57 22.026 3.346 -2.088 413 HE2 LYS 57 2HE LYS 57 24.327 3.636 -1.258 414 HE3 LYS 57 1HE LYS 57 23.732 3.538 0.399 415 HZ1 LYS 57 3HZ LYS 57 22.963 1.291 -0.053 416 HZ2 LYS 57 1HZ LYS 57 24.624 1.428 -0.336 417 HZ3 LYS 57 2HZ LYS 57 23.551 1.386 -1.637 418 H ALA 58 H ALA 58 21.416 3.427 -4.045 419 HA ALA 58 HA ALA 58 19.041 1.947 -4.586 420 HB1 ALA 58 3HB ALA 58 21.060 1.763 -5.961 421 HB2 ALA 58 1HB ALA 58 20.532 0.190 -5.364 422 HB3 ALA 58 2HB ALA 58 21.907 1.002 -4.614 423 H GLY 59 H GLY 59 17.943 0.539 -3.378 424 HA2 GLY 59 2HA GLY 59 19.003 -1.290 -1.538 425 HA3 GLY 59 1HA GLY 59 18.499 0.131 -0.634 426 H THR 60 H THR 60 17.255 -2.094 0.070 427 HA THR 60 HA THR 60 14.719 -2.256 -1.423 428 HB THR 60 HB THR 60 15.693 -4.011 0.850 429 HG1 THR 60 HG1 THR 60 15.559 -5.288 -1.501 430 HG21 THR 60 3HG2 THR 60 13.264 -4.016 0.644 431 HG22 THR 60 1HG2 THR 60 13.927 -5.555 0.094 432 HG23 THR 60 2HG2 THR 60 13.394 -4.353 -1.083 433 H TYR 61 H TYR 61 12.987 -1.166 -0.708 434 HA TYR 61 HA TYR 61 12.867 -0.367 2.138 435 HB2 TYR 61 2HB TYR 61 11.811 1.233 -0.210 436 HB3 TYR 61 1HB TYR 61 11.865 1.737 1.476 437 HD1 TYR 61 HD1 TYR 61 14.029 2.354 2.522 438 HD2 TYR 61 HD2 TYR 61 13.764 1.364 -1.615 439 HE1 TYR 61 HE1 TYR 61 16.240 3.361 2.140 440 HE2 TYR 61 HE2 TYR 61 15.976 2.365 -2.001 441 HH TYR 61 HH TYR 61 17.495 3.917 -1.039 442 H VAL 62 H VAL 62 11.272 -1.518 3.092 443 HA VAL 62 HA VAL 62 9.024 -2.488 1.480 444 HB VAL 62 HB VAL 62 9.736 -3.190 4.338 445 HG11 VAL 62 1HG1 VAL 62 8.267 -5.141 3.964 446 HG12 VAL 62 2HG1 VAL 62 7.843 -4.498 2.376 447 HG13 VAL 62 3HG1 VAL 62 7.397 -3.612 3.834 448 HG21 VAL 62 3HG2 VAL 62 11.536 -3.844 2.822 449 HG22 VAL 62 1HG2 VAL 62 10.379 -4.677 1.782 450 HG23 VAL 62 2HG2 VAL 62 10.678 -5.265 3.418 451 H LEU 63 H LEU 63 7.060 -1.599 1.556 452 HA LEU 63 HA LEU 63 6.389 0.251 3.753 453 HB2 LEU 63 2HB LEU 63 5.161 -0.058 1.005 454 HB3 LEU 63 1HB LEU 63 4.624 1.087 2.222 455 HG LEU 63 HG LEU 63 7.338 1.087 0.886 456 HD11 LEU 63 1HD1 LEU 63 4.974 2.932 0.537 457 HD12 LEU 63 2HD1 LEU 63 5.571 1.765 -0.642 458 HD13 LEU 63 3HD1 LEU 63 6.565 3.150 -0.191 459 HD21 LEU 63 3HD2 LEU 63 7.646 3.250 2.022 460 HD22 LEU 63 1HD2 LEU 63 7.483 1.916 3.164 461 HD23 LEU 63 2HD2 LEU 63 6.125 3.006 2.880 462 H THR 64 H THR 64 4.324 0.148 4.750 463 HA THR 64 HA THR 64 2.899 -2.435 4.451 464 HB THR 64 HB THR 64 3.120 -0.797 6.996 465 HG1 THR 64 HG1 THR 64 5.039 -1.711 7.067 466 HG21 THR 64 3HG2 THR 64 1.079 -2.151 6.856 467 HG22 THR 64 1HG2 THR 64 2.182 -2.795 8.072 468 HG23 THR 64 2HG2 THR 64 2.048 -3.582 6.501 469 H TYR 65 H TYR 65 0.760 -2.308 3.999 470 HA TYR 65 HA TYR 65 -0.529 0.348 4.146 471 HB2 TYR 65 2HB TYR 65 -1.061 -1.911 2.198 472 HB3 TYR 65 1HB TYR 65 -1.881 -0.352 2.210 473 HD1 TYR 65 HD2 TYR 65 -0.602 1.716 1.633 474 HD2 TYR 65 HD1 TYR 65 1.100 -2.160 1.201 475 HE1 TYR 65 HE2 TYR 65 1.139 2.647 0.170 476 HE2 TYR 65 HE1 TYR 65 2.852 -1.237 -0.253 477 HH TYR 65 HH TYR 65 3.196 0.716 -1.715 478 H THR 66 H THR 66 -2.118 0.504 5.588 479 HA THR 66 HA THR 66 -3.688 -1.914 6.286 480 HB THR 66 HB THR 66 -2.849 0.323 8.158 481 HG1 THR 66 HG1 THR 66 -1.699 -2.063 7.492 482 HG21 THR 66 3HG2 THR 66 -5.066 -0.512 8.740 483 HG22 THR 66 1HG2 THR 66 -3.879 -1.044 9.931 484 HG23 THR 66 2HG2 THR 66 -4.470 -2.172 8.711 485 H VAL 67 H VAL 67 -5.924 -1.668 6.436 486 HA VAL 67 HA VAL 67 -7.046 1.046 6.271 487 HB VAL 67 HB VAL 67 -6.874 0.281 3.947 488 HG11 VAL 67 1HG1 VAL 67 -8.174 -1.626 3.134 489 HG12 VAL 67 2HG1 VAL 67 -8.657 -2.008 4.788 490 HG13 VAL 67 3HG1 VAL 67 -6.963 -2.130 4.313 491 HG21 VAL 67 3HG2 VAL 67 -8.717 1.752 4.529 492 HG22 VAL 67 1HG2 VAL 67 -9.715 0.368 4.981 493 HG23 VAL 67 2HG2 VAL 67 -9.236 0.599 3.299 494 H THR 68 H THR 68 -9.073 1.308 7.187 495 HA THR 68 HA THR 68 -10.273 -1.060 8.507 496 HB THR 68 HB THR 68 -10.245 1.755 9.636 497 HG1 THR 68 HG1 THR 68 -8.535 -0.473 10.071 498 HG21 THR 68 3HG2 THR 68 -10.983 0.652 11.706 499 HG22 THR 68 1HG2 THR 68 -11.007 -0.902 10.872 500 HG23 THR 68 2HG2 THR 68 -12.129 0.373 10.394 501 H ASP 69 H ASP 69 -12.538 -1.222 8.519 502 HA ASP 69 HA ASP 69 -13.900 0.597 6.656 503 HB2 ASP 69 2HB ASP 69 -15.098 -1.159 5.892 504 HB3 ASP 69 1HB ASP 69 -13.810 -2.108 6.614 505 H SER 70 H SER 70 -16.417 0.592 7.118 506 HA SER 70 HA SER 70 -16.901 2.334 9.214 507 HB2 SER 70 2HB SER 70 -18.399 2.192 7.324 508 HB3 SER 70 1HB SER 70 -18.838 0.535 7.740 509 HG SER 70 HG SER 70 -19.440 2.916 9.169 510 H LYS 71 H LYS 71 -17.088 -1.204 9.293 511 HA LYS 71 HA LYS 71 -18.400 -1.193 11.897 512 HB2 LYS 71 2HB LYS 71 -17.211 -3.537 10.403 513 HB3 LYS 71 1HB LYS 71 -18.325 -3.610 11.759 514 HG2 LYS 71 2HG LYS 71 -18.932 -2.555 9.006 515 HG3 LYS 71 1HG LYS 71 -19.456 -4.097 9.680 516 HD2 LYS 71 2HD LYS 71 -20.661 -2.786 11.468 517 HD3 LYS 71 1HD LYS 71 -20.290 -1.327 10.542 518 HE2 LYS 71 2HE LYS 71 -21.902 -3.701 9.590 519 HE3 LYS 71 1HE LYS 71 -22.530 -2.111 10.013 520 HZ1 LYS 71 3HZ LYS 71 -20.732 -2.759 7.736 521 HZ2 LYS 71 1HZ LYS 71 -21.199 -1.191 8.175 522 HZ3 LYS 71 2HZ LYS 71 -22.360 -2.297 7.650 523 H GLY 72 H GLY 72 -15.194 -1.011 10.769 524 HA2 GLY 72 2HA GLY 72 -13.390 -0.599 12.288 525 HA3 GLY 72 1HA GLY 72 -14.183 -1.622 13.471 526 H HIS 73 H HIS 73 -14.207 -3.008 10.353 527 HA HIS 73 HA HIS 73 -12.329 -5.051 11.057 528 HB2 HIS 73 2HB HIS 73 -13.611 -4.385 8.395 529 HB3 HIS 73 1HB HIS 73 -12.613 -5.806 8.685 530 HD1 HIS 73 HD1 HIS 73 -16.040 -4.600 8.900 531 HD2 HIS 73 HD2 HIS 73 -13.793 -7.637 10.630 532 HE1 HIS 73 HE1 HIS 73 -17.709 -6.228 9.830 533 HE2 HIS 73 HE2 HIS 73 -16.333 -8.117 10.754 534 H GLU 74 H GLU 74 -10.173 -5.056 10.818 535 HA GLU 74 HA GLU 74 -8.971 -2.953 9.120 536 HB2 GLU 74 2HB GLU 74 -8.779 -2.365 11.479 537 HB3 GLU 74 1HB GLU 74 -8.032 -3.919 11.830 538 HG2 GLU 74 2HG GLU 74 -6.093 -3.340 10.531 539 HG3 GLU 74 1HG GLU 74 -6.849 -1.838 9.997 540 H VAL 75 H VAL 75 -8.122 -3.941 7.412 541 HA VAL 75 HA VAL 75 -6.527 -6.401 7.794 542 HB VAL 75 HB VAL 75 -6.751 -6.772 5.373 543 HG11 VAL 75 1HG1 VAL 75 -9.148 -7.328 5.336 544 HG12 VAL 75 2HG1 VAL 75 -9.398 -6.326 6.768 545 HG13 VAL 75 3HG1 VAL 75 -8.396 -7.775 6.869 546 HG21 VAL 75 3HG2 VAL 75 -6.937 -4.450 4.628 547 HG22 VAL 75 1HG2 VAL 75 -8.518 -4.315 5.398 548 HG23 VAL 75 2HG2 VAL 75 -8.292 -5.409 4.032 549 H THR 76 H THR 76 -4.477 -6.564 6.576 550 HA THR 76 HA THR 76 -3.255 -4.062 5.733 551 HB THR 76 HB THR 76 -2.931 -3.830 8.101 552 HG1 THR 76 HG1 THR 76 -0.473 -4.219 8.096 553 HG21 THR 76 3HG2 THR 76 -1.741 -5.501 9.451 554 HG22 THR 76 1HG2 THR 76 -1.680 -6.583 8.060 555 HG23 THR 76 2HG2 THR 76 -3.234 -6.159 8.779 556 H ALA 77 H ALA 77 -1.589 -4.310 4.344 557 HA ALA 77 HA ALA 77 -0.283 -6.921 4.068 558 HB1 ALA 77 3HB ALA 77 -1.646 -5.500 1.775 559 HB2 ALA 77 1HB ALA 77 -2.194 -6.992 2.543 560 HB3 ALA 77 2HB ALA 77 -0.674 -6.968 1.649 561 H LYS 78 H LYS 78 1.774 -6.836 3.070 562 HA LYS 78 HA LYS 78 2.957 -4.134 3.082 563 HB2 LYS 78 2HB LYS 78 4.348 -6.802 3.391 564 HB3 LYS 78 1HB LYS 78 5.082 -5.216 3.572 565 HG2 LYS 78 2HG LYS 78 3.714 -4.782 5.543 566 HG3 LYS 78 1HG LYS 78 2.910 -6.341 5.343 567 HD2 LYS 78 2HD LYS 78 4.585 -6.634 7.024 568 HD3 LYS 78 1HD LYS 78 5.173 -7.430 5.565 569 HE2 LYS 78 2HE LYS 78 6.993 -6.220 6.537 570 HE3 LYS 78 1HE LYS 78 6.502 -5.380 5.067 571 HZ1 LYS 78 3HZ LYS 78 6.898 -3.857 6.907 572 HZ2 LYS 78 1HZ LYS 78 5.700 -4.622 7.818 573 HZ3 LYS 78 2HZ LYS 78 5.290 -3.797 6.402 574 H GLN 79 H GLN 79 4.636 -3.627 1.578 575 HA GLN 79 HA GLN 79 4.926 -5.331 -0.789 576 HB2 GLN 79 2HB GLN 79 3.213 -3.807 -1.505 577 HB3 GLN 79 1HB GLN 79 4.068 -2.428 -0.822 578 HG2 GLN 79 2HG GLN 79 5.837 -2.688 -2.491 579 HG3 GLN 79 1HG GLN 79 5.001 -4.087 -3.163 580 HE21 GLN 79 1HE2 GLN 79 3.251 -1.287 -2.042 581 HE22 GLN 79 2HE2 GLN 79 2.761 -0.741 -3.603 582 H THR 80 H THR 80 7.050 -5.659 -1.052 583 HA THR 80 HA THR 80 8.988 -3.839 0.117 584 HB THR 80 HB THR 80 9.430 -6.194 0.392 585 HG1 THR 80 HG1 THR 80 11.517 -5.948 0.052 586 HG21 THR 80 3HG2 THR 80 9.516 -6.382 -2.624 587 HG22 THR 80 1HG2 THR 80 8.288 -7.087 -1.573 588 HG23 THR 80 2HG2 THR 80 9.950 -7.673 -1.505 589 H VAL 81 H VAL 81 9.597 -2.071 -0.949 590 HA VAL 81 HA VAL 81 9.596 -2.035 -3.883 591 HB VAL 81 HB VAL 81 9.991 0.269 -1.959 592 HG11 VAL 81 1HG1 VAL 81 9.421 0.233 -4.924 593 HG12 VAL 81 2HG1 VAL 81 10.933 0.717 -4.156 594 HG13 VAL 81 3HG1 VAL 81 9.474 1.676 -3.910 595 HG21 VAL 81 3HG2 VAL 81 7.775 -0.738 -1.688 596 HG22 VAL 81 1HG2 VAL 81 7.491 -0.592 -3.422 597 HG23 VAL 81 2HG2 VAL 81 7.662 0.857 -2.432 598 H THR 82 H THR 82 11.456 -2.823 -4.695 599 HA THR 82 HA THR 82 14.010 -2.276 -3.376 600 HB THR 82 HB THR 82 13.475 -4.023 -5.799 601 HG1 THR 82 HG1 THR 82 12.436 -5.016 -4.133 602 HG21 THR 82 3HG2 THR 82 15.809 -3.306 -5.611 603 HG22 THR 82 1HG2 THR 82 15.655 -5.024 -5.244 604 HG23 THR 82 2HG2 THR 82 15.855 -3.858 -3.936 605 H VAL 83 H VAL 83 15.026 -0.455 -3.929 606 HA VAL 83 HA VAL 83 14.761 0.646 -6.633 607 HB VAL 83 HB VAL 83 16.141 1.853 -4.218 608 HG11 VAL 83 1HG1 VAL 83 16.022 3.958 -5.465 609 HG12 VAL 83 2HG1 VAL 83 15.303 3.111 -6.836 610 HG13 VAL 83 3HG1 VAL 83 16.957 2.747 -6.343 611 HG21 VAL 83 3HG2 VAL 83 13.369 2.402 -5.300 612 HG22 VAL 83 1HG2 VAL 83 14.148 3.249 -3.962 613 HG23 VAL 83 2HG2 VAL 83 13.740 1.541 -3.805 614 H LYS 84 H LYS 84 16.238 0.042 -8.119 615 HA LYS 84 HA LYS 84 18.993 -0.538 -7.213 616 HB2 LYS 84 2HB LYS 84 19.247 -1.955 -9.178 617 HB3 LYS 84 1HB LYS 84 17.867 -2.469 -8.220 618 HG2 LYS 84 2HG LYS 84 16.472 -1.052 -9.875 619 HG3 LYS 84 1HG LYS 84 17.908 -1.120 -10.897 620 HD2 LYS 84 2HD LYS 84 16.279 -3.447 -9.867 621 HD3 LYS 84 1HD LYS 84 16.430 -2.905 -11.538 622 HE2 LYS 84 2HE LYS 84 18.719 -3.973 -9.874 623 HE3 LYS 84 1HE LYS 84 17.764 -4.945 -10.991 624 HZ1 LYS 84 3HZ LYS 84 19.809 -4.214 -12.015 625 HZ2 LYS 84 1HZ LYS 84 19.427 -2.596 -11.723 626 HZ3 LYS 84 2HZ LYS 84 18.494 -3.507 -12.802 627 H VAL 85 H VAL 85 20.736 0.035 -8.754 628 HA VAL 85 HA VAL 85 20.498 2.806 -9.386 629 HB VAL 85 HB VAL 85 22.767 0.929 -10.094 630 HG11 VAL 85 1HG1 VAL 85 22.898 3.053 -11.272 631 HG12 VAL 85 2HG1 VAL 85 24.165 2.941 -10.052 632 HG13 VAL 85 3HG1 VAL 85 22.734 3.929 -9.749 633 HG21 VAL 85 3HG2 VAL 85 22.296 0.788 -7.714 634 HG22 VAL 85 1HG2 VAL 85 22.347 2.547 -7.577 635 HG23 VAL 85 2HG2 VAL 85 23.811 1.650 -7.986 636 H ARG 86 H ARG 86 20.809 3.846 -11.446 637 HA ARG 86 HA ARG 86 19.924 2.226 -13.735 638 HB2 ARG 86 2HB ARG 86 19.594 4.386 -14.901 639 HB3 ARG 86 1HB ARG 86 18.666 4.271 -13.415 640 HG2 ARG 86 2HG ARG 86 20.222 5.707 -12.270 641 HG3 ARG 86 1HG ARG 86 21.290 5.732 -13.674 642 HD2 ARG 86 2HD ARG 86 19.947 7.780 -13.517 643 HD3 ARG 86 1HD ARG 86 19.577 6.872 -14.981 644 HE ARG 86 HE ARG 86 17.778 6.157 -12.924 645 HH11 ARG 86 1HH1 ARG 86 18.492 8.798 -15.018 646 HH12 ARG 86 2HH1 ARG 86 16.856 9.353 -15.046 647 HH21 ARG 86 1HH2 ARG 86 15.674 6.867 -12.994 648 HH22 ARG 86 2HH2 ARG 86 15.287 8.271 -13.932 649 H GLU 87 H GLU 87 21.170 1.886 -15.553 650 HA GLU 87 HA GLU 87 24.025 2.224 -15.166 651 HB2 GLU 87 2HB GLU 87 22.637 0.986 -17.553 652 HB3 GLU 87 1HB GLU 87 24.305 0.756 -17.046 653 HG2 GLU 87 2HG GLU 87 21.826 -0.239 -15.647 654 HG3 GLU 87 1HG GLU 87 23.025 -1.203 -16.503 655 H GLU 88 H GLU 88 24.490 4.420 -15.457 656 HA GLU 88 HA GLU 88 24.138 5.407 -18.208 657 HB2 GLU 88 2HB GLU 88 23.727 7.705 -17.246 658 HB3 GLU 88 1HB GLU 88 22.429 6.543 -17.028 659 HG2 GLU 88 2HG GLU 88 22.616 7.749 -15.004 660 HG3 GLU 88 1HG GLU 88 23.290 6.151 -14.699 661 H VAL 89 H VAL 89 25.472 7.473 -18.559 662 HA VAL 89 HA VAL 89 28.074 7.352 -17.170 663 HB VAL 89 HB VAL 89 29.236 7.694 -19.346 664 HG11 VAL 89 1HG1 VAL 89 29.125 5.454 -18.381 665 HG12 VAL 89 2HG1 VAL 89 29.069 5.376 -20.141 666 HG13 VAL 89 3HG1 VAL 89 27.591 5.161 -19.202 667 HG21 VAL 89 3HG2 VAL 89 27.375 8.637 -20.625 668 HG22 VAL 89 1HG2 VAL 89 26.530 7.089 -20.559 669 HG23 VAL 89 2HG2 VAL 89 28.048 7.229 -21.448 670 H LYS 90 H LYS 90 25.840 9.194 -16.885 671 HA LYS 90 HA LYS 90 26.382 11.574 -18.439 672 HB2 LYS 90 2HB LYS 90 24.470 11.173 -16.126 673 HB3 LYS 90 1HB LYS 90 24.462 12.516 -17.263 674 HG2 LYS 90 2HG LYS 90 23.851 11.036 -19.078 675 HG3 LYS 90 1HG LYS 90 23.995 9.632 -18.017 676 HD2 LYS 90 2HD LYS 90 21.658 10.204 -18.262 677 HD3 LYS 90 1HD LYS 90 22.173 10.549 -16.610 678 HE2 LYS 90 2HE LYS 90 20.788 12.358 -17.401 679 HE3 LYS 90 1HE LYS 90 22.446 12.931 -17.231 680 HZ1 LYS 90 3HZ LYS 90 21.176 12.099 -19.782 681 HZ2 LYS 90 1HZ LYS 90 22.743 12.709 -19.604 682 HZ3 LYS 90 2HZ LYS 90 21.415 13.695 -19.280 683 H ASN 91 H ASN 91 28.357 10.509 -16.320 684 HA ASN 91 HA ASN 91 28.448 12.545 -14.293 685 HB2 ASN 91 2HB ASN 91 30.568 10.546 -15.128 686 HB3 ASN 91 1HB ASN 91 30.590 11.516 -13.659 687 HD21 ASN 91 1HD2 ASN 91 27.706 11.200 -13.201 688 HD22 ASN 91 2HD2 ASN 91 27.500 9.580 -12.648 689 H ASP 92 H ASP 92 28.462 14.488 -15.497 690 HA ASP 92 HA ASP 92 30.523 14.986 -17.454 691 HB2 ASP 92 2HB ASP 92 29.479 17.231 -17.632 692 HB3 ASP 92 1HB ASP 92 28.333 15.915 -17.843 693 H LYS 93 H LYS 93 32.126 14.432 -15.631 694 HA LYS 93 HA LYS 93 33.782 15.032 -14.196 695 HB2 LYS 93 2HB LYS 93 33.567 17.527 -15.882 696 HB3 LYS 93 1HB LYS 93 34.881 17.235 -14.752 697 HG2 LYS 93 2HG LYS 93 34.195 15.488 -17.116 698 HG3 LYS 93 1HG LYS 93 35.491 16.686 -17.066 699 HD2 LYS 93 2HD LYS 93 35.270 14.244 -15.293 700 HD3 LYS 93 1HD LYS 93 36.338 14.407 -16.685 701 HE2 LYS 93 2HE LYS 93 36.433 16.139 -14.212 702 HE3 LYS 93 1HE LYS 93 37.499 14.775 -14.535 703 HZ1 LYS 93 3HZ LYS 93 38.385 15.914 -16.434 704 HZ2 LYS 93 1HZ LYS 93 38.494 16.932 -15.086 705 HZ3 LYS 93 2HZ LYS 93 37.295 17.191 -16.247 706 HA PRO 94 HA PRO 94 31.161 17.551 -11.230 707 HB2 PRO 94 2HB PRO 94 31.283 15.139 -9.554 708 HB3 PRO 94 1HB PRO 94 29.874 16.075 -10.060 709 HG2 PRO 94 2HG PRO 94 30.371 13.601 -11.025 710 HG3 PRO 94 1HG PRO 94 29.602 14.863 -12.009 711 HD2 PRO 94 2HD PRO 94 32.467 13.947 -12.005 712 HD3 PRO 94 1HD PRO 94 31.403 14.315 -13.382 713 H ILE 95 H ILE 95 32.685 18.896 -10.387 714 HA ILE 95 HA ILE 95 35.110 17.782 -9.188 715 HB ILE 95 HB ILE 95 35.786 20.248 -9.012 716 HG12 ILE 95 2HG1 ILE 95 34.631 21.709 -10.749 717 HG13 ILE 95 1HG1 ILE 95 33.335 20.521 -10.779 718 HG21 ILE 95 1HG2 ILE 95 36.699 18.706 -10.660 719 HG22 ILE 95 2HG2 ILE 95 36.484 20.313 -11.355 720 HG23 ILE 95 3HG2 ILE 95 35.337 19.027 -11.736 721 HD11 ILE 95 3HD1 ILE 95 32.857 20.962 -8.441 722 HD12 ILE 95 1HD1 ILE 95 32.800 22.448 -9.387 723 HD13 ILE 95 2HD1 ILE 95 34.197 22.109 -8.365 724 H LEU 96 H LEU 96 32.235 18.031 -7.977 725 HA LEU 96 HA LEU 96 32.262 19.577 -5.681 726 HB2 LEU 96 2HB LEU 96 30.391 18.135 -6.658 727 HB3 LEU 96 1HB LEU 96 31.131 16.775 -5.844 728 HG LEU 96 HG LEU 96 29.145 17.778 -4.677 729 HD11 LEU 96 1HD1 LEU 96 31.712 17.837 -3.093 730 HD12 LEU 96 2HD1 LEU 96 30.768 16.396 -3.469 731 HD13 LEU 96 3HD1 LEU 96 30.081 17.654 -2.444 732 HD21 LEU 96 3HD2 LEU 96 31.030 20.079 -4.155 733 HD22 LEU 96 1HD2 LEU 96 29.434 19.857 -3.436 734 HD23 LEU 96 2HD2 LEU 96 29.587 20.126 -5.172 735 H GLU 97 H GLU 97 33.225 19.441 -3.690 736 HA GLU 97 HA GLU 97 35.437 17.564 -3.430 737 HB2 GLU 97 2HB GLU 97 34.617 19.872 -1.649 738 HB3 GLU 97 1HB GLU 97 36.120 18.963 -1.532 739 HG2 GLU 97 2HG GLU 97 36.779 19.752 -3.751 740 HG3 GLU 97 1HG GLU 97 35.268 20.649 -3.886 Start of MODEL 11 1 H1 MET 1 1H MET 1 -38.605 -4.817 17.446 2 H2 MET 1 2H MET 1 -39.152 -5.035 15.860 3 H3 MET 1 3H MET 1 -37.493 -5.066 16.194 4 HA MET 1 HA MET 1 -37.706 -7.063 17.460 5 HB2 MET 1 2HB MET 1 -39.893 -8.254 17.532 6 HB3 MET 1 1HB MET 1 -39.888 -6.740 18.422 7 HG2 MET 1 2HG MET 1 -41.064 -5.640 16.596 8 HG3 MET 1 1HG MET 1 -41.033 -7.135 15.662 9 HE1 MET 1 3HE MET 1 -44.823 -6.654 16.738 10 HE2 MET 1 1HE MET 1 -43.714 -6.771 15.369 11 HE3 MET 1 2HE MET 1 -43.676 -5.355 16.419 12 H GLY 2 H GLY 2 -37.536 -9.138 16.459 13 HA2 GLY 2 2HA GLY 2 -37.121 -10.544 14.676 14 HA3 GLY 2 1HA GLY 2 -38.260 -9.593 13.730 15 H ASN 3 H ASN 3 -35.014 -9.202 15.158 16 HA ASN 3 HA ASN 3 -34.123 -7.229 13.388 17 HB2 ASN 3 2HB ASN 3 -32.570 -9.251 15.017 18 HB3 ASN 3 1HB ASN 3 -31.813 -7.930 14.129 19 HD21 ASN 3 1HD2 ASN 3 -31.008 -6.972 15.963 20 HD22 ASN 3 2HD2 ASN 3 -32.021 -6.147 17.101 21 H GLY 4 H GLY 4 -34.211 -7.507 11.223 22 HA2 GLY 4 2HA GLY 4 -33.049 -9.920 10.006 23 HA3 GLY 4 1HA GLY 4 -33.941 -8.657 9.164 24 H GLU 5 H GLU 5 -30.965 -9.010 11.090 25 HA GLU 5 HA GLU 5 -29.752 -6.832 9.532 26 HB2 GLU 5 2HB GLU 5 -28.096 -6.776 11.428 27 HB3 GLU 5 1HB GLU 5 -29.753 -6.383 11.872 28 HG2 GLU 5 2HG GLU 5 -30.055 -8.665 12.734 29 HG3 GLU 5 1HG GLU 5 -28.384 -9.037 12.312 30 H THR 6 H THR 6 -27.925 -7.066 8.365 31 HA THR 6 HA THR 6 -26.887 -9.772 7.922 32 HB THR 6 HB THR 6 -26.190 -7.200 6.469 33 HG1 THR 6 HG1 THR 6 -28.481 -8.118 6.396 34 HG21 THR 6 3HG2 THR 6 -24.502 -8.974 6.194 35 HG22 THR 6 1HG2 THR 6 -25.372 -8.681 4.689 36 HG23 THR 6 2HG2 THR 6 -25.761 -10.093 5.670 37 H SER 7 H SER 7 -24.618 -10.264 8.025 38 HA SER 7 HA SER 7 -23.124 -8.650 9.965 39 HB2 SER 7 2HB SER 7 -23.278 -11.111 10.291 40 HB3 SER 7 1HB SER 7 -22.427 -11.350 8.767 41 HG SER 7 HG SER 7 -21.235 -11.304 10.935 42 H ASP 8 H ASP 8 -21.102 -7.714 9.533 43 HA ASP 8 HA ASP 8 -20.626 -7.144 6.719 44 HB2 ASP 8 2HB ASP 8 -20.668 -5.274 8.293 45 HB3 ASP 8 1HB ASP 8 -19.329 -5.982 9.194 46 H LEU 9 H LEU 9 -18.577 -7.232 5.742 47 HA LEU 9 HA LEU 9 -16.825 -9.397 6.733 48 HB2 LEU 9 2HB LEU 9 -17.260 -8.490 3.879 49 HB3 LEU 9 1HB LEU 9 -16.311 -9.869 4.404 50 HG LEU 9 HG LEU 9 -19.304 -9.634 4.786 51 HD11 LEU 9 1HD1 LEU 9 -19.481 -11.247 2.940 52 HD12 LEU 9 2HD1 LEU 9 -17.742 -11.113 2.667 53 HD13 LEU 9 3HD1 LEU 9 -18.786 -9.712 2.417 54 HD21 LEU 9 3HD2 LEU 9 -17.412 -11.971 5.104 55 HD22 LEU 9 1HD2 LEU 9 -19.168 -12.036 5.268 56 HD23 LEU 9 2HD2 LEU 9 -18.210 -11.094 6.409 57 H GLU 10 H GLU 10 -14.644 -8.981 6.908 58 HA GLU 10 HA GLU 10 -13.631 -6.391 7.000 59 HB2 GLU 10 2HB GLU 10 -11.336 -7.493 6.814 60 HB3 GLU 10 1HB GLU 10 -12.360 -7.999 8.143 61 HG2 GLU 10 2HG GLU 10 -12.203 -9.560 5.581 62 HG3 GLU 10 1HG GLU 10 -11.055 -9.797 6.896 63 HA PRO 11 HA PRO 11 -13.552 -5.018 2.944 64 HB2 PRO 11 2HB PRO 11 -11.643 -3.088 2.988 65 HB3 PRO 11 1HB PRO 11 -13.183 -2.943 3.846 66 HG2 PRO 11 2HG PRO 11 -10.498 -3.772 4.906 67 HG3 PRO 11 1HG PRO 11 -11.667 -2.632 5.601 68 HD2 PRO 11 2HD PRO 11 -11.457 -5.182 6.470 69 HD3 PRO 11 1HD PRO 11 -13.012 -4.326 6.435 70 H LYS 12 H LYS 12 -12.507 -4.812 0.946 71 HA LYS 12 HA LYS 12 -10.405 -6.722 0.410 72 HB2 LYS 12 2HB LYS 12 -12.211 -6.739 -1.135 73 HB3 LYS 12 1HB LYS 12 -12.217 -4.993 -1.280 74 HG2 LYS 12 2HG LYS 12 -11.345 -5.692 -3.307 75 HG3 LYS 12 1HG LYS 12 -9.908 -5.270 -2.386 76 HD2 LYS 12 2HD LYS 12 -10.959 -8.090 -2.591 77 HD3 LYS 12 1HD LYS 12 -9.805 -7.413 -3.736 78 HE2 LYS 12 2HE LYS 12 -8.308 -6.916 -1.771 79 HE3 LYS 12 1HE LYS 12 -9.421 -7.863 -0.780 80 HZ1 LYS 12 3HZ LYS 12 -7.546 -9.182 -1.555 81 HZ2 LYS 12 1HZ LYS 12 -7.958 -8.859 -3.164 82 HZ3 LYS 12 2HZ LYS 12 -8.996 -9.773 -2.192 83 H LEU 13 H LEU 13 -8.417 -5.957 1.050 84 HA LEU 13 HA LEU 13 -7.544 -3.329 0.050 85 HB2 LEU 13 2HB LEU 13 -7.217 -3.739 2.437 86 HB3 LEU 13 1HB LEU 13 -6.278 -5.176 2.083 87 HG LEU 13 HG LEU 13 -4.544 -3.772 1.014 88 HD11 LEU 13 1HD1 LEU 13 -4.611 -1.333 1.303 89 HD12 LEU 13 2HD1 LEU 13 -6.255 -1.459 1.932 90 HD13 LEU 13 3HD1 LEU 13 -5.910 -1.914 0.263 91 HD21 LEU 13 3HD2 LEU 13 -5.258 -2.953 3.835 92 HD22 LEU 13 1HD2 LEU 13 -3.680 -2.747 3.071 93 HD23 LEU 13 2HD2 LEU 13 -4.313 -4.365 3.363 94 H THR 14 H THR 14 -6.560 -3.357 -1.874 95 HA THR 14 HA THR 14 -5.009 -5.720 -2.705 96 HB THR 14 HB THR 14 -6.018 -3.384 -4.351 97 HG1 THR 14 HG1 THR 14 -7.520 -4.829 -5.115 98 HG21 THR 14 3HG2 THR 14 -5.266 -4.675 -6.306 99 HG22 THR 14 1HG2 THR 14 -4.551 -5.881 -5.235 100 HG23 THR 14 2HG2 THR 14 -3.912 -4.238 -5.266 101 H VAL 15 H VAL 15 -2.918 -5.609 -2.199 102 HA VAL 15 HA VAL 15 -1.438 -3.107 -2.750 103 HB VAL 15 HB VAL 15 -0.951 -5.091 -0.508 104 HG11 VAL 15 1HG1 VAL 15 0.647 -2.638 -1.259 105 HG12 VAL 15 2HG1 VAL 15 1.180 -4.313 -1.413 106 HG13 VAL 15 3HG1 VAL 15 0.893 -3.622 0.185 107 HG21 VAL 15 3HG2 VAL 15 -2.793 -3.551 -0.055 108 HG22 VAL 15 1HG2 VAL 15 -1.752 -2.178 -0.433 109 HG23 VAL 15 2HG2 VAL 15 -1.406 -3.186 0.972 110 HA PRO 16 HA PRO 16 0.861 -5.777 -5.535 111 HB2 PRO 16 2HB PRO 16 3.003 -4.117 -5.965 112 HB3 PRO 16 1HB PRO 16 1.437 -3.926 -6.760 113 HG2 PRO 16 2HG PRO 16 2.551 -2.479 -4.392 114 HG3 PRO 16 1HG PRO 16 1.615 -1.841 -5.756 115 HD2 PRO 16 2HD PRO 16 0.511 -2.337 -3.325 116 HD3 PRO 16 1HD PRO 16 -0.399 -2.499 -4.836 117 H VAL 17 H VAL 17 2.409 -7.340 -5.266 118 HA VAL 17 HA VAL 17 3.503 -7.674 -2.643 119 HB VAL 17 HB VAL 17 2.699 -9.588 -3.953 120 HG11 VAL 17 1HG1 VAL 17 3.377 -8.903 -6.180 121 HG12 VAL 17 2HG1 VAL 17 4.050 -10.488 -5.808 122 HG13 VAL 17 3HG1 VAL 17 5.079 -9.058 -5.741 123 HG21 VAL 17 3HG2 VAL 17 4.535 -11.133 -3.467 124 HG22 VAL 17 1HG2 VAL 17 4.312 -9.971 -2.157 125 HG23 VAL 17 2HG2 VAL 17 5.643 -9.772 -3.297 126 H GLY 18 H GLY 18 4.868 -6.638 -5.730 127 HA2 GLY 18 2HA GLY 18 7.356 -5.944 -4.365 128 HA3 GLY 18 1HA GLY 18 7.486 -7.120 -5.662 129 H ALA 19 H ALA 19 8.671 -4.472 -5.434 130 HA ALA 19 HA ALA 19 7.726 -3.380 -7.993 131 HB1 ALA 19 3HB ALA 19 8.295 -1.690 -5.551 132 HB2 ALA 19 1HB ALA 19 6.701 -2.010 -6.232 133 HB3 ALA 19 2HB ALA 19 7.885 -1.087 -7.157 134 H THR 20 H THR 20 9.347 -2.455 -9.275 135 HA THR 20 HA THR 20 12.115 -2.599 -8.235 136 HB THR 20 HB THR 20 11.264 -3.566 -10.985 137 HG1 THR 20 HG1 THR 20 12.294 -5.193 -8.892 138 HG21 THR 20 3HG2 THR 20 13.945 -3.687 -9.578 139 HG22 THR 20 1HG2 THR 20 13.541 -2.649 -10.946 140 HG23 THR 20 2HG2 THR 20 13.576 -4.401 -11.148 141 H ILE 21 H ILE 21 13.047 -0.650 -8.414 142 HA ILE 21 HA ILE 21 12.570 0.931 -10.849 143 HB ILE 21 HB ILE 21 12.457 3.024 -9.573 144 HG12 ILE 21 2HG1 ILE 21 12.259 1.269 -7.106 145 HG13 ILE 21 1HG1 ILE 21 13.661 2.240 -7.544 146 HG21 ILE 21 1HG2 ILE 21 10.337 1.028 -8.773 147 HG22 ILE 21 2HG2 ILE 21 10.392 1.948 -10.277 148 HG23 ILE 21 3HG2 ILE 21 10.167 2.785 -8.742 149 HD11 ILE 21 3HD1 ILE 21 12.379 3.384 -5.866 150 HD12 ILE 21 1HD1 ILE 21 10.916 3.263 -6.844 151 HD13 ILE 21 2HD1 ILE 21 12.261 4.267 -7.390 152 H HIS 22 H HIS 22 14.137 2.980 -10.717 153 HA HIS 22 HA HIS 22 16.790 2.033 -9.850 154 HB2 HIS 22 2HB HIS 22 16.056 3.163 -12.555 155 HB3 HIS 22 1HB HIS 22 17.716 3.036 -11.982 156 HD1 HIS 22 HD1 HIS 22 14.828 0.949 -13.155 157 HD2 HIS 22 HD2 HIS 22 18.792 0.458 -11.995 158 HE1 HIS 22 HE1 HIS 22 15.433 -1.397 -13.809 159 HE2 HIS 22 HE2 HIS 22 17.866 -1.635 -13.209 160 H VAL 23 H VAL 23 18.185 3.530 -9.081 161 HA VAL 23 HA VAL 23 17.335 5.758 -7.756 162 HB VAL 23 HB VAL 23 20.101 5.297 -8.907 163 HG11 VAL 23 1HG1 VAL 23 19.251 7.117 -6.645 164 HG12 VAL 23 2HG1 VAL 23 19.810 7.636 -8.235 165 HG13 VAL 23 3HG1 VAL 23 20.911 6.793 -7.146 166 HG21 VAL 23 3HG2 VAL 23 19.333 3.462 -7.490 167 HG22 VAL 23 1HG2 VAL 23 18.948 4.602 -6.198 168 HG23 VAL 23 2HG2 VAL 23 20.623 4.368 -6.699 169 H GLY 24 H GLY 24 16.607 7.705 -8.328 170 HA2 GLY 24 2HA GLY 24 16.910 9.824 -9.414 171 HA3 GLY 24 1HA GLY 24 17.634 8.992 -10.780 172 H ASP 25 H ASP 25 14.797 7.493 -9.569 173 HA ASP 25 HA ASP 25 13.300 8.442 -11.915 174 HB2 ASP 25 2HB ASP 25 12.045 6.428 -11.770 175 HB3 ASP 25 1HB ASP 25 13.722 5.976 -11.484 176 H SER 26 H SER 26 10.727 7.757 -11.092 177 HA SER 26 HA SER 26 10.149 9.377 -8.700 178 HB2 SER 26 2HB SER 26 8.615 9.559 -11.312 179 HB3 SER 26 1HB SER 26 8.229 10.421 -9.824 180 HG SER 26 HG SER 26 10.170 11.562 -10.024 181 H PHE 27 H PHE 27 9.236 7.986 -7.300 182 HA PHE 27 HA PHE 27 7.358 5.947 -8.341 183 HB2 PHE 27 2HB PHE 27 9.462 4.975 -7.486 184 HB3 PHE 27 1HB PHE 27 9.194 5.753 -5.932 185 HD1 PHE 27 HD2 PHE 27 8.034 3.099 -8.209 186 HD2 PHE 27 HD1 PHE 27 7.662 4.819 -4.327 187 HE1 PHE 27 HE2 PHE 27 6.787 1.121 -7.455 188 HE2 PHE 27 HE1 PHE 27 6.419 2.834 -3.570 189 HZ PHE 27 HZ PHE 27 5.980 0.982 -5.131 190 H VAL 28 H VAL 28 5.355 5.808 -7.430 191 HA VAL 28 HA VAL 28 4.814 7.440 -5.019 192 HB VAL 28 HB VAL 28 2.927 6.908 -7.326 193 HG11 VAL 28 1HG1 VAL 28 2.523 8.501 -4.787 194 HG12 VAL 28 2HG1 VAL 28 1.714 6.993 -5.228 195 HG13 VAL 28 3HG1 VAL 28 1.406 8.464 -6.151 196 HG21 VAL 28 3HG2 VAL 28 4.291 9.464 -6.459 197 HG22 VAL 28 1HG2 VAL 28 3.081 9.326 -7.738 198 HG23 VAL 28 2HG2 VAL 28 4.646 8.533 -7.915 199 HA PRO 29 HA PRO 29 3.996 3.306 -3.422 200 HB2 PRO 29 2HB PRO 29 3.119 4.187 -0.939 201 HB3 PRO 29 1HB PRO 29 4.800 3.882 -1.379 202 HG2 PRO 29 2HG PRO 29 3.310 6.465 -1.264 203 HG3 PRO 29 1HG PRO 29 4.988 6.114 -0.812 204 HD2 PRO 29 2HD PRO 29 4.353 7.357 -3.120 205 HD3 PRO 29 1HD PRO 29 5.735 6.248 -2.999 206 H MET 30 H MET 30 1.559 5.879 -2.696 207 HA MET 30 HA MET 30 -0.497 3.866 -2.400 208 HB2 MET 30 2HB MET 30 -0.573 6.873 -2.298 209 HB3 MET 30 1HB MET 30 -2.022 5.887 -2.175 210 HG2 MET 30 2HG MET 30 -0.905 4.709 -0.239 211 HG3 MET 30 1HG MET 30 0.307 5.990 -0.288 212 HE1 MET 30 3HE MET 30 -3.475 6.464 -1.192 213 HE2 MET 30 1HE MET 30 -4.182 6.826 0.385 214 HE3 MET 30 2HE MET 30 -3.535 5.220 0.059 215 H ALA 31 H ALA 31 0.738 5.480 -5.123 216 HA ALA 31 HA ALA 31 -1.653 5.888 -6.596 217 HB1 ALA 31 3HB ALA 31 -0.212 6.037 -8.578 218 HB2 ALA 31 1HB ALA 31 1.146 5.416 -7.638 219 HB3 ALA 31 2HB ALA 31 0.432 6.977 -7.232 220 H GLU 32 H GLU 32 0.119 3.032 -5.847 221 HA GLU 32 HA GLU 32 -1.281 1.546 -7.959 222 HB2 GLU 32 2HB GLU 32 1.125 0.711 -6.330 223 HB3 GLU 32 1HB GLU 32 0.390 -0.221 -7.631 224 HG2 GLU 32 2HG GLU 32 0.929 1.603 -9.205 225 HG3 GLU 32 1HG GLU 32 1.724 2.472 -7.896 226 H VAL 33 H VAL 33 -1.819 2.296 -4.822 227 HA VAL 33 HA VAL 33 -2.653 -0.406 -3.994 228 HB VAL 33 HB VAL 33 -2.562 2.114 -2.307 229 HG11 VAL 33 1HG1 VAL 33 -4.077 0.385 -1.451 230 HG12 VAL 33 2HG1 VAL 33 -2.669 0.574 -0.406 231 HG13 VAL 33 3HG1 VAL 33 -2.769 -0.798 -1.511 232 HG21 VAL 33 3HG2 VAL 33 -0.472 1.240 -1.381 233 HG22 VAL 33 1HG2 VAL 33 -0.323 1.547 -3.112 234 HG23 VAL 33 2HG2 VAL 33 -0.518 -0.104 -2.521 235 H LEU 34 H LEU 34 -4.784 -0.794 -3.174 236 HA LEU 34 HA LEU 34 -6.861 1.209 -3.665 237 HB2 LEU 34 2HB LEU 34 -6.571 0.137 -5.835 238 HB3 LEU 34 1HB LEU 34 -6.737 -1.449 -5.114 239 HG LEU 34 HG LEU 34 -9.034 0.464 -4.869 240 HD11 LEU 34 1HD1 LEU 34 -9.910 -0.288 -7.040 241 HD12 LEU 34 2HD1 LEU 34 -8.376 -1.095 -7.372 242 HD13 LEU 34 3HD1 LEU 34 -8.436 0.662 -7.210 243 HD21 LEU 34 3HD2 LEU 34 -9.173 -1.685 -3.738 244 HD22 LEU 34 1HD2 LEU 34 -8.821 -2.530 -5.246 245 HD23 LEU 34 2HD2 LEU 34 -10.327 -1.628 -5.069 246 H ALA 35 H ALA 35 -8.807 0.819 -2.515 247 HA ALA 35 HA ALA 35 -9.029 -1.660 -0.969 248 HB1 ALA 35 3HB ALA 35 -9.307 -0.527 1.156 249 HB2 ALA 35 1HB ALA 35 -9.058 1.039 0.383 250 HB3 ALA 35 2HB ALA 35 -7.736 -0.126 0.461 251 H ILE 36 H ILE 36 -11.082 -2.365 -0.869 252 HA ILE 36 HA ILE 36 -13.317 -0.471 -1.269 253 HB ILE 36 HB ILE 36 -12.987 -3.133 -2.687 254 HG12 ILE 36 2HG1 ILE 36 -11.623 -1.324 -3.672 255 HG13 ILE 36 1HG1 ILE 36 -12.911 -1.835 -4.756 256 HG21 ILE 36 1HG2 ILE 36 -15.312 -2.762 -2.073 257 HG22 ILE 36 2HG2 ILE 36 -15.103 -2.607 -3.817 258 HG23 ILE 36 3HG2 ILE 36 -15.274 -1.162 -2.818 259 HD11 ILE 36 3HD1 ILE 36 -12.934 0.629 -3.030 260 HD12 ILE 36 1HD1 ILE 36 -14.218 0.122 -4.131 261 HD13 ILE 36 2HD1 ILE 36 -12.638 0.576 -4.767 262 H ASP 37 H ASP 37 -15.020 -0.798 0.120 263 HA ASP 37 HA ASP 37 -15.155 -3.350 1.606 264 HB2 ASP 37 2HB ASP 37 -14.987 -1.342 3.024 265 HB3 ASP 37 1HB ASP 37 -16.440 -0.687 2.280 266 H LYS 38 H LYS 38 -17.060 -4.517 1.720 267 HA LYS 38 HA LYS 38 -18.630 -4.630 -0.592 268 HB2 LYS 38 2HB LYS 38 -18.207 -6.522 0.943 269 HB3 LYS 38 1HB LYS 38 -19.243 -5.768 2.145 270 HG2 LYS 38 2HG LYS 38 -21.178 -6.051 0.734 271 HG3 LYS 38 1HG LYS 38 -20.170 -6.653 -0.587 272 HD2 LYS 38 2HD LYS 38 -19.506 -8.570 0.818 273 HD3 LYS 38 1HD LYS 38 -20.546 -7.972 2.110 274 HE2 LYS 38 2HE LYS 38 -21.513 -8.752 -0.644 275 HE3 LYS 38 1HE LYS 38 -21.558 -9.808 0.766 276 HZ1 LYS 38 3HZ LYS 38 -22.963 -8.119 1.866 277 HZ2 LYS 38 1HZ LYS 38 -23.682 -8.796 0.493 278 HZ3 LYS 38 2HZ LYS 38 -23.013 -7.244 0.417 279 H GLU 39 H GLU 39 -19.321 -3.111 2.544 280 HA GLU 39 HA GLU 39 -22.054 -2.441 1.814 281 HB2 GLU 39 2HB GLU 39 -20.449 -1.367 4.135 282 HB3 GLU 39 1HB GLU 39 -22.198 -1.404 3.975 283 HG2 GLU 39 2HG GLU 39 -22.292 -3.720 4.343 284 HG3 GLU 39 1HG GLU 39 -20.557 -3.917 4.074 285 H ASP 40 H ASP 40 -19.101 -0.536 2.518 286 HA ASP 40 HA ASP 40 -20.473 1.945 1.988 287 HB2 ASP 40 2HB ASP 40 -18.751 1.665 3.779 288 HB3 ASP 40 1HB ASP 40 -17.527 1.502 2.525 289 H GLY 41 H GLY 41 -17.807 0.184 0.414 290 HA2 GLY 41 2HA GLY 41 -17.821 0.271 -2.075 291 HA3 GLY 41 1HA GLY 41 -18.113 1.997 -1.915 292 H ASP 42 H ASP 42 -16.357 3.314 -1.983 293 HA ASP 42 HA ASP 42 -13.762 2.023 -2.215 294 HB2 ASP 42 2HB ASP 42 -14.576 3.752 -3.854 295 HB3 ASP 42 1HB ASP 42 -14.396 4.956 -2.580 296 H LEU 43 H LEU 43 -12.500 1.748 -0.504 297 HA LEU 43 HA LEU 43 -12.475 3.798 1.625 298 HB2 LEU 43 2HB LEU 43 -11.668 0.890 1.763 299 HB3 LEU 43 1HB LEU 43 -11.513 2.037 3.081 300 HG LEU 43 HG LEU 43 -14.071 0.985 1.867 301 HD11 LEU 43 1HD1 LEU 43 -12.973 -0.521 3.430 302 HD12 LEU 43 2HD1 LEU 43 -14.459 0.128 4.122 303 HD13 LEU 43 3HD1 LEU 43 -12.895 0.763 4.637 304 HD21 LEU 43 3HD2 LEU 43 -14.324 3.376 2.359 305 HD22 LEU 43 1HD2 LEU 43 -13.756 3.097 4.007 306 HD23 LEU 43 2HD2 LEU 43 -15.273 2.379 3.461 307 H THR 44 H THR 44 -10.927 3.654 -0.998 308 HA THR 44 HA THR 44 -8.239 2.989 -0.530 309 HB THR 44 HB THR 44 -9.242 5.122 -2.441 310 HG1 THR 44 HG1 THR 44 -10.266 3.390 -3.206 311 HG21 THR 44 3HG2 THR 44 -6.748 3.407 -2.508 312 HG22 THR 44 1HG2 THR 44 -6.799 5.131 -2.141 313 HG23 THR 44 2HG2 THR 44 -7.242 4.558 -3.750 314 H SER 45 H SER 45 -10.054 5.837 0.359 315 HA SER 45 HA SER 45 -7.709 7.412 1.026 316 HB2 SER 45 2HB SER 45 -9.777 8.534 0.307 317 HB3 SER 45 1HB SER 45 -10.628 7.879 1.706 318 HG SER 45 HG SER 45 -9.871 9.468 2.839 319 H LYS 46 H LYS 46 -9.575 4.998 2.571 320 HA LYS 46 HA LYS 46 -8.973 5.790 5.295 321 HB2 LYS 46 2HB LYS 46 -10.181 3.263 4.143 322 HB3 LYS 46 1HB LYS 46 -10.005 3.576 5.863 323 HG2 LYS 46 2HG LYS 46 -11.613 5.311 3.990 324 HG3 LYS 46 1HG LYS 46 -12.285 4.002 4.964 325 HD2 LYS 46 2HD LYS 46 -11.426 5.160 7.003 326 HD3 LYS 46 1HD LYS 46 -10.924 6.505 5.977 327 HE2 LYS 46 2HE LYS 46 -13.754 5.492 6.292 328 HE3 LYS 46 1HE LYS 46 -13.089 6.925 7.074 329 HZ1 LYS 46 3HZ LYS 46 -12.631 7.770 4.767 330 HZ2 LYS 46 1HZ LYS 46 -14.265 7.660 5.189 331 HZ3 LYS 46 2HZ LYS 46 -13.578 6.496 4.182 332 H ILE 47 H ILE 47 -7.016 4.648 2.981 333 HA ILE 47 HA ILE 47 -5.738 2.445 4.312 334 HB ILE 47 HB ILE 47 -4.853 4.044 1.899 335 HG12 ILE 47 2HG1 ILE 47 -6.215 1.337 2.093 336 HG13 ILE 47 1HG1 ILE 47 -6.998 2.839 1.611 337 HG21 ILE 47 1HG2 ILE 47 -3.341 2.162 1.432 338 HG22 ILE 47 2HG2 ILE 47 -3.810 1.409 2.956 339 HG23 ILE 47 3HG2 ILE 47 -2.947 2.947 2.961 340 HD11 ILE 47 3HD1 ILE 47 -5.531 2.968 -0.343 341 HD12 ILE 47 1HD1 ILE 47 -6.472 1.477 -0.315 342 HD13 ILE 47 2HD1 ILE 47 -4.769 1.452 0.139 343 H LYS 48 H LYS 48 -3.897 2.398 5.476 344 HA LYS 48 HA LYS 48 -2.651 4.946 6.282 345 HB2 LYS 48 2HB LYS 48 -3.664 3.461 8.029 346 HB3 LYS 48 1HB LYS 48 -2.506 2.215 7.590 347 HG2 LYS 48 2HG LYS 48 -0.672 3.765 8.237 348 HG3 LYS 48 1HG LYS 48 -1.894 4.913 8.793 349 HD2 LYS 48 2HD LYS 48 -1.389 2.127 9.854 350 HD3 LYS 48 1HD LYS 48 -1.077 3.653 10.683 351 HE2 LYS 48 2HE LYS 48 -3.794 2.595 9.879 352 HE3 LYS 48 1HE LYS 48 -3.122 2.594 11.507 353 HZ1 LYS 48 3HZ LYS 48 -4.660 4.424 11.150 354 HZ2 LYS 48 1HZ LYS 48 -3.696 5.024 9.899 355 HZ3 LYS 48 2HZ LYS 48 -3.105 4.994 11.484 356 H VAL 49 H VAL 49 -0.422 5.263 6.019 357 HA VAL 49 HA VAL 49 0.987 3.150 4.493 358 HB VAL 49 HB VAL 49 1.401 6.145 4.307 359 HG11 VAL 49 1HG1 VAL 49 2.700 3.878 2.785 360 HG12 VAL 49 2HG1 VAL 49 3.487 4.951 3.943 361 HG13 VAL 49 3HG1 VAL 49 2.888 5.591 2.413 362 HG21 VAL 49 3HG2 VAL 49 -0.697 5.448 3.277 363 HG22 VAL 49 1HG2 VAL 49 0.148 4.204 2.354 364 HG23 VAL 49 2HG2 VAL 49 0.472 5.910 2.039 365 H ASP 50 H ASP 50 2.373 2.134 5.796 366 HA ASP 50 HA ASP 50 4.108 3.735 7.560 367 HB2 ASP 50 2HB ASP 50 2.929 1.974 8.741 368 HB3 ASP 50 1HB ASP 50 3.480 0.773 7.578 369 H GLY 51 H GLY 51 6.271 3.837 7.203 370 HA2 GLY 51 2HA GLY 51 8.344 3.299 6.255 371 HA3 GLY 51 1HA GLY 51 7.571 2.028 5.321 372 H GLU 52 H GLU 52 9.429 3.642 4.096 373 HA GLU 52 HA GLU 52 7.867 4.822 1.993 374 HB2 GLU 52 2HB GLU 52 8.031 6.631 3.768 375 HB3 GLU 52 1HB GLU 52 9.763 6.665 3.461 376 HG2 GLU 52 2HG GLU 52 9.384 7.333 1.169 377 HG3 GLU 52 1HG GLU 52 7.641 7.182 1.385 378 H VAL 53 H VAL 53 9.051 5.200 0.097 379 HA VAL 53 HA VAL 53 11.593 3.744 -0.014 380 HB VAL 53 HB VAL 53 9.782 4.654 -2.269 381 HG11 VAL 53 1HG1 VAL 53 12.176 2.806 -2.318 382 HG12 VAL 53 2HG1 VAL 53 12.088 4.420 -3.022 383 HG13 VAL 53 3HG1 VAL 53 11.094 3.120 -3.676 384 HG21 VAL 53 3HG2 VAL 53 9.120 2.302 -2.441 385 HG22 VAL 53 1HG2 VAL 53 8.706 2.969 -0.862 386 HG23 VAL 53 2HG2 VAL 53 10.109 1.912 -1.033 387 H ASP 54 H ASP 54 13.492 4.655 -0.590 388 HA ASP 54 HA ASP 54 13.528 7.527 -1.241 389 HB2 ASP 54 2HB ASP 54 14.812 6.900 0.748 390 HB3 ASP 54 1HB ASP 54 15.723 5.717 -0.189 391 H THR 55 H THR 55 14.445 8.255 -3.145 392 HA THR 55 HA THR 55 15.024 6.151 -5.134 393 HB THR 55 HB THR 55 14.351 7.799 -6.854 394 HG1 THR 55 HG1 THR 55 13.533 9.777 -6.248 395 HG21 THR 55 3HG2 THR 55 12.675 6.246 -5.992 396 HG22 THR 55 1HG2 THR 55 11.939 7.811 -6.341 397 HG23 THR 55 2HG2 THR 55 12.298 7.356 -4.675 398 H THR 56 H THR 56 16.831 8.058 -3.266 399 HA THR 56 HA THR 56 18.762 8.655 -5.431 400 HB THR 56 HB THR 56 18.201 10.697 -4.245 401 HG1 THR 56 HG1 THR 56 20.615 9.867 -4.623 402 HG21 THR 56 3HG2 THR 56 18.649 11.002 -1.867 403 HG22 THR 56 1HG2 THR 56 19.137 9.312 -1.728 404 HG23 THR 56 2HG2 THR 56 17.466 9.718 -2.120 405 H LYS 57 H LYS 57 18.153 6.553 -2.875 406 HA LYS 57 HA LYS 57 20.958 5.624 -2.937 407 HB2 LYS 57 2HB LYS 57 20.274 6.722 -0.757 408 HB3 LYS 57 1HB LYS 57 19.128 5.409 -0.539 409 HG2 LYS 57 2HG LYS 57 21.018 3.806 -0.592 410 HG3 LYS 57 1HG LYS 57 22.130 5.175 -0.690 411 HD2 LYS 57 2HD LYS 57 20.968 6.012 1.454 412 HD3 LYS 57 1HD LYS 57 20.319 4.375 1.583 413 HE2 LYS 57 2HE LYS 57 22.323 4.540 2.910 414 HE3 LYS 57 1HE LYS 57 22.646 3.507 1.519 415 HZ1 LYS 57 3HZ LYS 57 24.440 5.092 1.938 416 HZ2 LYS 57 1HZ LYS 57 23.375 6.385 1.701 417 HZ3 LYS 57 2HZ LYS 57 23.737 5.339 0.426 418 H ALA 58 H ALA 58 21.231 3.480 -3.379 419 HA ALA 58 HA ALA 58 18.946 1.964 -4.248 420 HB1 ALA 58 3HB ALA 58 20.564 0.303 -4.981 421 HB2 ALA 58 1HB ALA 58 21.847 1.144 -4.108 422 HB3 ALA 58 2HB ALA 58 21.062 1.919 -5.483 423 H GLY 59 H GLY 59 17.940 0.296 -3.272 424 HA2 GLY 59 2HA GLY 59 18.887 -1.512 -1.422 425 HA3 GLY 59 1HA GLY 59 18.340 -0.142 -0.467 426 H THR 60 H THR 60 17.028 -2.246 0.213 427 HA THR 60 HA THR 60 14.575 -2.402 -1.434 428 HB THR 60 HB THR 60 15.526 -4.370 0.666 429 HG1 THR 60 HG1 THR 60 16.862 -4.507 -1.124 430 HG21 THR 60 3HG2 THR 60 13.789 -5.851 -0.302 431 HG22 THR 60 1HG2 THR 60 13.251 -4.520 -1.327 432 HG23 THR 60 2HG2 THR 60 13.099 -4.400 0.427 433 H TYR 61 H TYR 61 12.792 -1.471 -0.679 434 HA TYR 61 HA TYR 61 12.639 -0.760 2.185 435 HB2 TYR 61 2HB TYR 61 11.367 0.665 -0.172 436 HB3 TYR 61 1HB TYR 61 11.308 1.184 1.510 437 HD1 TYR 61 HD2 TYR 61 13.455 0.866 -1.468 438 HD2 TYR 61 HD1 TYR 61 13.208 2.269 2.546 439 HE1 TYR 61 HE2 TYR 61 15.527 2.150 -1.795 440 HE2 TYR 61 HE1 TYR 61 15.277 3.555 2.226 441 HH TYR 61 HH TYR 61 16.684 4.068 -0.857 442 H VAL 62 H VAL 62 11.051 -1.688 3.326 443 HA VAL 62 HA VAL 62 8.919 -3.119 1.898 444 HB VAL 62 HB VAL 62 9.689 -3.274 4.826 445 HG11 VAL 62 1HG1 VAL 62 8.301 -5.293 4.869 446 HG12 VAL 62 2HG1 VAL 62 7.867 -5.044 3.179 447 HG13 VAL 62 3HG1 VAL 62 7.346 -3.886 4.402 448 HG21 VAL 62 3HG2 VAL 62 11.496 -4.094 3.409 449 HG22 VAL 62 1HG2 VAL 62 10.367 -5.127 2.530 450 HG23 VAL 62 2HG2 VAL 62 10.710 -5.442 4.231 451 H LEU 63 H LEU 63 7.046 -2.093 1.638 452 HA LEU 63 HA LEU 63 6.278 0.046 3.508 453 HB2 LEU 63 2HB LEU 63 5.098 -0.598 0.800 454 HB3 LEU 63 1HB LEU 63 4.814 0.845 1.756 455 HG LEU 63 HG LEU 63 7.406 0.065 0.404 456 HD11 LEU 63 1HD1 LEU 63 5.483 2.330 -0.126 457 HD12 LEU 63 2HD1 LEU 63 5.721 0.904 -1.137 458 HD13 LEU 63 3HD1 LEU 63 7.026 2.072 -0.943 459 HD21 LEU 63 3HD2 LEU 63 8.264 2.233 1.183 460 HD22 LEU 63 1HD2 LEU 63 7.890 1.151 2.524 461 HD23 LEU 63 2HD2 LEU 63 6.791 2.471 2.123 462 H THR 64 H THR 64 4.530 -0.135 4.815 463 HA THR 64 HA THR 64 2.781 -2.502 4.506 464 HB THR 64 HB THR 64 3.487 -0.901 6.975 465 HG1 THR 64 HG1 THR 64 5.016 -2.442 6.590 466 HG21 THR 64 3HG2 THR 64 1.455 -3.125 6.707 467 HG22 THR 64 1HG2 THR 64 1.112 -1.440 7.102 468 HG23 THR 64 2HG2 THR 64 2.024 -2.444 8.231 469 H TYR 65 H TYR 65 0.692 -2.208 4.019 470 HA TYR 65 HA TYR 65 -0.485 0.481 4.372 471 HB2 TYR 65 2HB TYR 65 -1.184 -1.570 2.249 472 HB3 TYR 65 1HB TYR 65 -1.878 0.042 2.412 473 HD1 TYR 65 HD2 TYR 65 -0.492 2.045 1.920 474 HD2 TYR 65 HD1 TYR 65 0.970 -1.895 1.238 475 HE1 TYR 65 HE2 TYR 65 1.295 2.954 0.498 476 HE2 TYR 65 HE1 TYR 65 2.756 -0.993 -0.185 477 HH TYR 65 HH TYR 65 3.573 2.252 -0.250 478 H THR 66 H THR 66 -2.213 0.606 5.678 479 HA THR 66 HA THR 66 -3.721 -1.872 6.296 480 HB THR 66 HB THR 66 -2.964 0.282 8.295 481 HG1 THR 66 HG1 THR 66 -1.679 -1.451 9.203 482 HG21 THR 66 3HG2 THR 66 -5.125 -0.760 8.799 483 HG22 THR 66 1HG2 THR 66 -3.899 -1.249 9.973 484 HG23 THR 66 2HG2 THR 66 -4.385 -2.358 8.691 485 H VAL 67 H VAL 67 -5.859 -1.659 5.869 486 HA VAL 67 HA VAL 67 -6.988 1.075 5.785 487 HB VAL 67 HB VAL 67 -6.997 -0.065 3.602 488 HG11 VAL 67 1HG1 VAL 67 -8.462 -1.997 3.205 489 HG12 VAL 67 2HG1 VAL 67 -8.804 -2.089 4.933 490 HG13 VAL 67 3HG1 VAL 67 -7.168 -2.377 4.341 491 HG21 VAL 67 3HG2 VAL 67 -9.340 0.342 3.039 492 HG22 VAL 67 1HG2 VAL 67 -8.731 1.588 4.128 493 HG23 VAL 67 2HG2 VAL 67 -9.769 0.305 4.748 494 H THR 68 H THR 68 -8.919 1.533 6.809 495 HA THR 68 HA THR 68 -9.897 -0.535 8.681 496 HB THR 68 HB THR 68 -9.989 2.474 9.043 497 HG1 THR 68 HG1 THR 68 -8.034 0.647 9.520 498 HG21 THR 68 3HG2 THR 68 -10.682 0.229 10.956 499 HG22 THR 68 1HG2 THR 68 -11.836 1.310 10.177 500 HG23 THR 68 2HG2 THR 68 -10.678 1.950 11.343 501 H ASP 69 H ASP 69 -11.913 -1.208 8.441 502 HA ASP 69 HA ASP 69 -13.780 0.133 6.681 503 HB2 ASP 69 2HB ASP 69 -14.008 -2.117 6.349 504 HB3 ASP 69 1HB ASP 69 -13.562 -2.520 8.000 505 H SER 70 H SER 70 -16.019 0.565 7.342 506 HA SER 70 HA SER 70 -16.128 2.437 9.410 507 HB2 SER 70 2HB SER 70 -18.434 1.008 8.066 508 HB3 SER 70 1HB SER 70 -18.556 2.500 9.001 509 HG SER 70 HG SER 70 -18.431 2.850 6.720 510 H LYS 71 H LYS 71 -16.989 -0.995 9.469 511 HA LYS 71 HA LYS 71 -18.194 -0.733 12.122 512 HB2 LYS 71 2HB LYS 71 -17.948 -3.068 10.213 513 HB3 LYS 71 1HB LYS 71 -18.577 -3.238 11.845 514 HG2 LYS 71 2HG LYS 71 -20.420 -3.063 10.329 515 HG3 LYS 71 1HG LYS 71 -20.347 -1.587 11.290 516 HD2 LYS 71 2HD LYS 71 -19.226 -0.439 9.420 517 HD3 LYS 71 1HD LYS 71 -19.322 -1.919 8.463 518 HE2 LYS 71 2HE LYS 71 -21.111 -0.506 7.771 519 HE3 LYS 71 1HE LYS 71 -21.816 -1.816 8.711 520 HZ1 LYS 71 3HZ LYS 71 -21.439 1.008 9.488 521 HZ2 LYS 71 1HZ LYS 71 -21.696 -0.196 10.648 522 HZ3 LYS 71 2HZ LYS 71 -22.864 0.103 9.468 523 H GLY 72 H GLY 72 -15.156 -0.626 11.298 524 HA2 GLY 72 2HA GLY 72 -13.404 -0.719 12.858 525 HA3 GLY 72 1HA GLY 72 -14.329 -1.865 13.809 526 H HIS 73 H HIS 73 -14.231 -2.761 10.528 527 HA HIS 73 HA HIS 73 -12.448 -4.963 11.120 528 HB2 HIS 73 2HB HIS 73 -13.925 -4.198 8.593 529 HB3 HIS 73 1HB HIS 73 -12.935 -5.646 8.756 530 HD1 HIS 73 HD1 HIS 73 -16.335 -4.527 9.125 531 HD2 HIS 73 HD2 HIS 73 -13.914 -7.344 10.990 532 HE1 HIS 73 HE1 HIS 73 -17.905 -6.088 10.306 533 HE2 HIS 73 HE2 HIS 73 -16.405 -7.583 11.653 534 H GLU 74 H GLU 74 -10.341 -4.628 11.159 535 HA GLU 74 HA GLU 74 -9.134 -2.734 9.234 536 HB2 GLU 74 2HB GLU 74 -8.974 -2.091 11.608 537 HB3 GLU 74 1HB GLU 74 -8.152 -3.603 11.964 538 HG2 GLU 74 2HG GLU 74 -6.279 -2.932 10.555 539 HG3 GLU 74 1HG GLU 74 -7.111 -1.430 10.153 540 H VAL 75 H VAL 75 -7.814 -3.554 7.721 541 HA VAL 75 HA VAL 75 -6.389 -6.088 8.257 542 HB VAL 75 HB VAL 75 -6.728 -6.802 5.913 543 HG11 VAL 75 1HG1 VAL 75 -9.066 -7.501 6.121 544 HG12 VAL 75 2HG1 VAL 75 -9.312 -6.313 7.404 545 HG13 VAL 75 3HG1 VAL 75 -8.207 -7.666 7.654 546 HG21 VAL 75 3HG2 VAL 75 -7.099 -4.626 4.881 547 HG22 VAL 75 1HG2 VAL 75 -8.623 -4.450 5.750 548 HG23 VAL 75 2HG2 VAL 75 -8.445 -5.708 4.525 549 H THR 76 H THR 76 -4.406 -6.383 7.067 550 HA THR 76 HA THR 76 -3.278 -3.922 5.902 551 HB THR 76 HB THR 76 -2.593 -3.903 8.237 552 HG1 THR 76 HG1 THR 76 -0.971 -3.062 7.093 553 HG21 THR 76 3HG2 THR 76 -1.152 -5.661 9.169 554 HG22 THR 76 1HG2 THR 76 -1.342 -6.604 7.692 555 HG23 THR 76 2HG2 THR 76 -2.736 -6.300 8.729 556 H ALA 77 H ALA 77 -1.450 -4.194 4.559 557 HA ALA 77 HA ALA 77 -0.506 -6.880 3.919 558 HB1 ALA 77 3HB ALA 77 -1.746 -5.090 1.822 559 HB2 ALA 77 1HB ALA 77 -2.416 -6.607 2.422 560 HB3 ALA 77 2HB ALA 77 -0.907 -6.611 1.509 561 H LYS 78 H LYS 78 1.420 -6.785 2.412 562 HA LYS 78 HA LYS 78 2.898 -4.256 2.804 563 HB2 LYS 78 2HB LYS 78 3.753 -7.083 3.340 564 HB3 LYS 78 1HB LYS 78 4.955 -5.862 2.939 565 HG2 LYS 78 2HG LYS 78 4.342 -4.540 4.850 566 HG3 LYS 78 1HG LYS 78 2.983 -5.607 5.210 567 HD2 LYS 78 2HD LYS 78 4.404 -7.368 5.878 568 HD3 LYS 78 1HD LYS 78 5.819 -6.621 5.134 569 HE2 LYS 78 2HE LYS 78 5.770 -6.475 7.628 570 HE3 LYS 78 1HE LYS 78 5.894 -4.916 6.813 571 HZ1 LYS 78 3HZ LYS 78 3.379 -6.072 7.896 572 HZ2 LYS 78 1HZ LYS 78 3.558 -4.544 7.191 573 HZ3 LYS 78 2HZ LYS 78 4.315 -4.889 8.661 574 H GLN 79 H GLN 79 4.593 -3.771 1.368 575 HA GLN 79 HA GLN 79 4.630 -5.206 -1.215 576 HB2 GLN 79 2HB GLN 79 3.340 -3.196 -1.607 577 HB3 GLN 79 1HB GLN 79 4.525 -2.208 -0.756 578 HG2 GLN 79 2HG GLN 79 6.174 -2.706 -2.526 579 HG3 GLN 79 1HG GLN 79 4.945 -3.635 -3.383 580 HE21 GLN 79 1HE2 GLN 79 4.237 -0.655 -1.682 581 HE22 GLN 79 2HE2 GLN 79 3.918 0.284 -3.090 582 H THR 80 H THR 80 6.645 -5.773 -1.855 583 HA THR 80 HA THR 80 8.948 -4.691 -0.380 584 HB THR 80 HB THR 80 8.805 -7.063 -2.267 585 HG1 THR 80 HG1 THR 80 9.244 -8.129 -0.105 586 HG21 THR 80 3HG2 THR 80 11.046 -6.124 -2.251 587 HG22 THR 80 1HG2 THR 80 11.035 -7.632 -1.343 588 HG23 THR 80 2HG2 THR 80 11.052 -6.090 -0.487 589 H VAL 81 H VAL 81 9.660 -2.819 -1.299 590 HA VAL 81 HA VAL 81 9.860 -2.627 -4.230 591 HB VAL 81 HB VAL 81 10.275 -0.462 -2.151 592 HG11 VAL 81 1HG1 VAL 81 9.999 -0.294 -5.159 593 HG12 VAL 81 2HG1 VAL 81 11.467 -0.004 -4.224 594 HG13 VAL 81 3HG1 VAL 81 10.090 1.085 -4.060 595 HG21 VAL 81 3HG2 VAL 81 8.058 0.363 -2.833 596 HG22 VAL 81 1HG2 VAL 81 7.966 -1.250 -2.123 597 HG23 VAL 81 2HG2 VAL 81 7.855 -1.047 -3.872 598 H THR 82 H THR 82 11.790 -2.679 -5.283 599 HA THR 82 HA THR 82 14.265 -2.534 -3.663 600 HB THR 82 HB THR 82 13.799 -4.249 -6.122 601 HG1 THR 82 HG1 THR 82 14.209 -4.998 -3.392 602 HG21 THR 82 3HG2 THR 82 16.113 -3.480 -6.020 603 HG22 THR 82 1HG2 THR 82 16.029 -5.191 -5.600 604 HG23 THR 82 2HG2 THR 82 16.228 -3.981 -4.333 605 H VAL 83 H VAL 83 15.446 -0.806 -4.128 606 HA VAL 83 HA VAL 83 15.200 0.516 -6.743 607 HB VAL 83 HB VAL 83 16.596 1.529 -4.253 608 HG11 VAL 83 1HG1 VAL 83 17.359 2.609 -6.296 609 HG12 VAL 83 2HG1 VAL 83 16.383 3.731 -5.349 610 HG13 VAL 83 3HG1 VAL 83 15.691 2.946 -6.768 611 HG21 VAL 83 3HG2 VAL 83 14.237 1.171 -3.773 612 HG22 VAL 83 1HG2 VAL 83 13.784 2.080 -5.215 613 HG23 VAL 83 2HG2 VAL 83 14.585 2.897 -3.873 614 H LYS 84 H LYS 84 16.787 0.344 -8.236 615 HA LYS 84 HA LYS 84 19.397 -0.768 -7.395 616 HB2 LYS 84 2HB LYS 84 18.021 -1.045 -10.077 617 HB3 LYS 84 1HB LYS 84 19.553 -1.781 -9.620 618 HG2 LYS 84 2HG LYS 84 18.405 -3.103 -7.905 619 HG3 LYS 84 1HG LYS 84 16.871 -2.367 -8.372 620 HD2 LYS 84 2HD LYS 84 17.123 -3.314 -10.631 621 HD3 LYS 84 1HD LYS 84 18.636 -4.076 -10.133 622 HE2 LYS 84 2HE LYS 84 17.393 -5.347 -8.412 623 HE3 LYS 84 1HE LYS 84 15.891 -4.620 -8.984 624 HZ1 LYS 84 3HZ LYS 84 17.693 -6.343 -10.595 625 HZ2 LYS 84 1HZ LYS 84 16.239 -5.668 -11.128 626 HZ3 LYS 84 2HZ LYS 84 16.226 -6.829 -9.904 627 H VAL 85 H VAL 85 21.310 -0.063 -8.504 628 HA VAL 85 HA VAL 85 21.290 2.787 -8.986 629 HB VAL 85 HB VAL 85 23.641 0.889 -9.180 630 HG11 VAL 85 1HG1 VAL 85 23.551 3.868 -8.675 631 HG12 VAL 85 2HG1 VAL 85 24.051 3.086 -10.174 632 HG13 VAL 85 3HG1 VAL 85 25.005 2.867 -8.707 633 HG21 VAL 85 3HG2 VAL 85 22.591 0.641 -7.000 634 HG22 VAL 85 1HG2 VAL 85 22.623 2.390 -6.764 635 HG23 VAL 85 2HG2 VAL 85 24.133 1.483 -6.846 636 H ARG 86 H ARG 86 22.178 3.854 -10.836 637 HA ARG 86 HA ARG 86 21.767 2.495 -13.383 638 HB2 ARG 86 2HB ARG 86 22.349 5.357 -12.612 639 HB3 ARG 86 1HB ARG 86 22.386 4.826 -14.287 640 HG2 ARG 86 2HG ARG 86 19.991 4.586 -12.467 641 HG3 ARG 86 1HG ARG 86 20.250 5.885 -13.633 642 HD2 ARG 86 2HD ARG 86 19.924 2.943 -14.243 643 HD3 ARG 86 1HD ARG 86 18.772 4.231 -14.594 644 HE ARG 86 HE ARG 86 21.163 4.884 -15.861 645 HH11 ARG 86 1HH1 ARG 86 18.729 2.444 -16.076 646 HH12 ARG 86 2HH1 ARG 86 19.028 2.160 -17.757 647 HH21 ARG 86 1HH2 ARG 86 21.516 4.507 -17.994 648 HH22 ARG 86 2HH2 ARG 86 20.586 3.307 -18.830 649 H GLU 87 H GLU 87 23.525 3.413 -15.125 650 HA GLU 87 HA GLU 87 26.130 2.436 -14.135 651 HB2 GLU 87 2HB GLU 87 25.150 2.651 -16.995 652 HB3 GLU 87 1HB GLU 87 26.637 1.883 -16.452 653 HG2 GLU 87 2HG GLU 87 25.292 0.224 -15.208 654 HG3 GLU 87 1HG GLU 87 23.828 0.968 -15.851 655 H GLU 88 H GLU 88 24.534 5.246 -15.170 656 HA GLU 88 HA GLU 88 26.916 6.551 -16.228 657 HB2 GLU 88 2HB GLU 88 24.165 7.744 -15.836 658 HB3 GLU 88 1HB GLU 88 25.458 8.360 -16.853 659 HG2 GLU 88 2HG GLU 88 24.204 7.381 -18.465 660 HG3 GLU 88 1HG GLU 88 25.165 5.977 -18.012 661 H VAL 89 H VAL 89 28.048 8.172 -15.223 662 HA VAL 89 HA VAL 89 27.777 8.426 -12.372 663 HB VAL 89 HB VAL 89 30.002 8.390 -13.269 664 HG11 VAL 89 1HG1 VAL 89 29.281 10.863 -14.850 665 HG12 VAL 89 2HG1 VAL 89 29.575 9.252 -15.503 666 HG13 VAL 89 3HG1 VAL 89 30.889 10.145 -14.738 667 HG21 VAL 89 3HG2 VAL 89 30.963 10.402 -12.270 668 HG22 VAL 89 1HG2 VAL 89 29.661 9.761 -11.268 669 HG23 VAL 89 2HG2 VAL 89 29.379 11.181 -12.279 670 H LYS 90 H LYS 90 26.127 9.594 -11.591 671 HA LYS 90 HA LYS 90 25.478 12.184 -12.824 672 HB2 LYS 90 2HB LYS 90 23.902 10.375 -10.995 673 HB3 LYS 90 1HB LYS 90 23.405 12.024 -11.351 674 HG2 LYS 90 2HG LYS 90 23.338 11.452 -13.756 675 HG3 LYS 90 1HG LYS 90 23.730 9.781 -13.343 676 HD2 LYS 90 2HD LYS 90 21.676 9.542 -12.104 677 HD3 LYS 90 1HD LYS 90 21.317 11.261 -12.278 678 HE2 LYS 90 2HE LYS 90 21.462 9.246 -14.525 679 HE3 LYS 90 1HE LYS 90 19.985 9.896 -13.817 680 HZ1 LYS 90 3HZ LYS 90 22.055 11.442 -15.281 681 HZ2 LYS 90 1HZ LYS 90 20.689 12.113 -14.536 682 HZ3 LYS 90 2HZ LYS 90 20.512 11.051 -15.840 683 H ASN 91 H ASN 91 25.967 14.035 -11.860 684 HA ASN 91 HA ASN 91 26.757 14.051 -9.021 685 HB2 ASN 91 2HB ASN 91 27.132 16.167 -11.165 686 HB3 ASN 91 1HB ASN 91 27.733 16.267 -9.512 687 HD21 ASN 91 1HD2 ASN 91 28.143 14.793 -12.620 688 HD22 ASN 91 2HD2 ASN 91 29.691 14.092 -12.305 689 H ASP 92 H ASP 92 23.996 14.136 -10.475 690 HA ASP 92 HA ASP 92 22.811 16.637 -9.915 691 HB2 ASP 92 2HB ASP 92 21.488 13.935 -10.281 692 HB3 ASP 92 1HB ASP 92 20.682 15.500 -10.374 693 H LYS 93 H LYS 93 23.508 17.019 -7.712 694 HA LYS 93 HA LYS 93 21.556 15.897 -5.798 695 HB2 LYS 93 2HB LYS 93 24.403 16.787 -5.296 696 HB3 LYS 93 1HB LYS 93 23.226 16.658 -4.000 697 HG2 LYS 93 2HG LYS 93 24.341 14.639 -3.881 698 HG3 LYS 93 1HG LYS 93 22.900 14.230 -4.810 699 HD2 LYS 93 2HD LYS 93 24.828 13.184 -5.821 700 HD3 LYS 93 1HD LYS 93 24.230 14.453 -6.891 701 HE2 LYS 93 2HE LYS 93 26.669 14.491 -6.757 702 HE3 LYS 93 1HE LYS 93 25.978 15.967 -6.088 703 HZ1 LYS 93 3HZ LYS 93 26.905 13.641 -4.485 704 HZ2 LYS 93 1HZ LYS 93 26.315 15.103 -3.874 705 HZ3 LYS 93 2HZ LYS 93 27.780 15.069 -4.719 706 HA PRO 94 HA PRO 94 19.917 20.025 -5.805 707 HB2 PRO 94 2HB PRO 94 18.476 19.895 -3.474 708 HB3 PRO 94 1HB PRO 94 17.946 19.183 -5.001 709 HG2 PRO 94 2HG PRO 94 19.302 17.868 -2.667 710 HG3 PRO 94 1HG PRO 94 17.931 17.290 -3.635 711 HD2 PRO 94 2HD PRO 94 20.426 16.367 -4.028 712 HD3 PRO 94 1HD PRO 94 19.295 16.592 -5.380 713 H ILE 95 H ILE 95 21.145 21.750 -5.387 714 HA ILE 95 HA ILE 95 22.940 21.887 -3.138 715 HB ILE 95 HB ILE 95 23.574 24.098 -4.039 716 HG12 ILE 95 2HG1 ILE 95 21.425 23.569 -6.121 717 HG13 ILE 95 1HG1 ILE 95 21.331 24.783 -4.850 718 HG21 ILE 95 1HG2 ILE 95 24.664 22.106 -4.910 719 HG22 ILE 95 2HG2 ILE 95 24.471 23.303 -6.191 720 HG23 ILE 95 3HG2 ILE 95 23.392 21.911 -6.117 721 HD11 ILE 95 3HD1 ILE 95 21.912 25.794 -6.965 722 HD12 ILE 95 1HD1 ILE 95 23.309 24.728 -7.120 723 HD13 ILE 95 2HD1 ILE 95 23.260 25.937 -5.836 724 H LEU 96 H LEU 96 19.979 21.911 -2.596 725 HA LEU 96 HA LEU 96 19.804 24.472 -1.151 726 HB2 LEU 96 2HB LEU 96 17.305 24.072 -1.203 727 HB3 LEU 96 1HB LEU 96 18.065 24.477 -2.728 728 HG LEU 96 HG LEU 96 18.068 21.964 -3.230 729 HD11 LEU 96 1HD1 LEU 96 16.091 21.938 -0.949 730 HD12 LEU 96 2HD1 LEU 96 17.651 21.114 -0.993 731 HD13 LEU 96 3HD1 LEU 96 16.361 20.623 -2.090 732 HD21 LEU 96 3HD2 LEU 96 15.429 23.415 -3.004 733 HD22 LEU 96 1HD2 LEU 96 15.747 22.008 -4.020 734 HD23 LEU 96 2HD2 LEU 96 16.574 23.531 -4.341 735 H GLU 97 H GLU 97 18.053 24.167 0.741 736 HA GLU 97 HA GLU 97 19.388 22.495 2.637 737 HB2 GLU 97 2HB GLU 97 16.817 24.075 2.904 738 HB3 GLU 97 1HB GLU 97 17.699 23.337 4.236 739 HG2 GLU 97 2HG GLU 97 19.620 24.779 3.764 740 HG3 GLU 97 1HG GLU 97 18.732 25.522 2.433 Start of MODEL 12 1 H1 MET 1 1H MET 1 -35.820 -4.358 17.994 2 H2 MET 1 2H MET 1 -37.007 -4.341 16.789 3 H3 MET 1 3H MET 1 -35.696 -3.279 16.693 4 HA MET 1 HA MET 1 -35.400 -5.080 15.149 5 HB2 MET 1 2HB MET 1 -33.549 -5.246 17.543 6 HB3 MET 1 1HB MET 1 -33.202 -5.937 15.963 7 HG2 MET 1 2HG MET 1 -33.274 -3.705 14.971 8 HG3 MET 1 1HG MET 1 -33.613 -3.014 16.558 9 HE1 MET 1 3HE MET 1 -31.545 -1.335 16.343 10 HE2 MET 1 1HE MET 1 -31.264 -1.983 14.728 11 HE3 MET 1 2HE MET 1 -29.927 -1.856 15.871 12 H GLY 2 H GLY 2 -36.006 -7.089 14.598 13 HA2 GLY 2 2HA GLY 2 -36.844 -8.977 16.688 14 HA3 GLY 2 1HA GLY 2 -37.162 -9.121 14.964 15 H ASN 3 H ASN 3 -35.049 -9.330 13.632 16 HA ASN 3 HA ASN 3 -32.960 -10.847 15.049 17 HB2 ASN 3 2HB ASN 3 -34.381 -12.499 13.924 18 HB3 ASN 3 1HB ASN 3 -34.229 -11.623 12.404 19 HD21 ASN 3 1HD2 ASN 3 -33.296 -13.309 11.299 20 HD22 ASN 3 2HD2 ASN 3 -31.693 -13.873 11.617 21 H GLY 4 H GLY 4 -31.274 -9.460 14.913 22 HA2 GLY 4 2HA GLY 4 -30.904 -7.615 12.762 23 HA3 GLY 4 1HA GLY 4 -29.770 -7.940 14.060 24 H GLU 5 H GLU 5 -31.039 -9.526 11.123 25 HA GLU 5 HA GLU 5 -28.578 -10.978 10.719 26 HB2 GLU 5 2HB GLU 5 -30.742 -11.984 10.130 27 HB3 GLU 5 1HB GLU 5 -31.031 -10.707 8.956 28 HG2 GLU 5 2HG GLU 5 -29.140 -11.474 7.627 29 HG3 GLU 5 1HG GLU 5 -28.787 -12.719 8.826 30 H THR 6 H THR 6 -26.872 -9.772 10.165 31 HA THR 6 HA THR 6 -26.960 -8.193 7.702 32 HB THR 6 HB THR 6 -27.343 -6.469 9.344 33 HG1 THR 6 HG1 THR 6 -25.897 -5.243 8.422 34 HG21 THR 6 3HG2 THR 6 -25.822 -6.079 11.236 35 HG22 THR 6 1HG2 THR 6 -24.926 -7.539 10.810 36 HG23 THR 6 2HG2 THR 6 -26.602 -7.658 11.347 37 H SER 7 H SER 7 -24.555 -7.398 7.244 38 HA SER 7 HA SER 7 -22.553 -9.270 8.180 39 HB2 SER 7 2HB SER 7 -22.080 -10.286 6.006 40 HB3 SER 7 1HB SER 7 -23.738 -10.628 6.497 41 HG SER 7 HG SER 7 -24.426 -9.603 4.795 42 H ASP 8 H ASP 8 -21.231 -7.519 8.709 43 HA ASP 8 HA ASP 8 -20.263 -5.828 6.546 44 HB2 ASP 8 2HB ASP 8 -20.446 -4.770 8.724 45 HB3 ASP 8 1HB ASP 8 -19.425 -6.007 9.451 46 H LEU 9 H LEU 9 -18.883 -6.657 5.140 47 HA LEU 9 HA LEU 9 -17.027 -8.766 5.927 48 HB2 LEU 9 2HB LEU 9 -17.544 -7.459 3.251 49 HB3 LEU 9 1HB LEU 9 -16.405 -8.767 3.515 50 HG LEU 9 HG LEU 9 -19.405 -8.922 3.877 51 HD11 LEU 9 1HD1 LEU 9 -18.736 -8.845 1.535 52 HD12 LEU 9 2HD1 LEU 9 -19.331 -10.448 1.968 53 HD13 LEU 9 3HD1 LEU 9 -17.596 -10.166 1.802 54 HD21 LEU 9 3HD2 LEU 9 -18.260 -10.338 5.502 55 HD22 LEU 9 1HD2 LEU 9 -17.307 -11.072 4.210 56 HD23 LEU 9 2HD2 LEU 9 -19.052 -11.314 4.268 57 H GLU 10 H GLU 10 -14.884 -8.475 6.245 58 HA GLU 10 HA GLU 10 -13.676 -5.981 6.568 59 HB2 GLU 10 2HB GLU 10 -11.512 -7.286 6.415 60 HB3 GLU 10 1HB GLU 10 -12.680 -7.902 7.577 61 HG2 GLU 10 2HG GLU 10 -13.418 -9.511 5.738 62 HG3 GLU 10 1HG GLU 10 -11.941 -9.034 4.900 63 HA PRO 11 HA PRO 11 -13.435 -4.469 2.454 64 HB2 PRO 11 2HB PRO 11 -11.292 -2.742 2.720 65 HB3 PRO 11 1HB PRO 11 -12.938 -2.387 3.255 66 HG2 PRO 11 2HG PRO 11 -10.604 -3.392 4.852 67 HG3 PRO 11 1HG PRO 11 -11.793 -2.140 5.270 68 HD2 PRO 11 2HD PRO 11 -11.982 -4.618 6.273 69 HD3 PRO 11 1HD PRO 11 -13.432 -3.701 5.813 70 H LYS 12 H LYS 12 -12.353 -4.782 0.529 71 HA LYS 12 HA LYS 12 -10.181 -6.689 0.509 72 HB2 LYS 12 2HB LYS 12 -11.975 -6.961 -1.101 73 HB3 LYS 12 1HB LYS 12 -11.710 -5.340 -1.729 74 HG2 LYS 12 2HG LYS 12 -10.793 -7.002 -3.234 75 HG3 LYS 12 1HG LYS 12 -9.503 -6.011 -2.549 76 HD2 LYS 12 2HD LYS 12 -9.006 -7.792 -0.926 77 HD3 LYS 12 1HD LYS 12 -10.293 -8.782 -1.621 78 HE2 LYS 12 2HE LYS 12 -9.109 -8.795 -3.772 79 HE3 LYS 12 1HE LYS 12 -7.824 -7.812 -3.069 80 HZ1 LYS 12 3HZ LYS 12 -8.589 -10.530 -2.143 81 HZ2 LYS 12 1HZ LYS 12 -7.310 -9.594 -1.550 82 HZ3 LYS 12 2HZ LYS 12 -7.269 -10.174 -3.135 83 H LEU 13 H LEU 13 -8.179 -5.955 0.883 84 HA LEU 13 HA LEU 13 -7.370 -3.307 -0.091 85 HB2 LEU 13 2HB LEU 13 -6.951 -3.868 2.256 86 HB3 LEU 13 1HB LEU 13 -5.989 -5.250 1.768 87 HG LEU 13 HG LEU 13 -4.343 -3.725 0.726 88 HD11 LEU 13 1HD1 LEU 13 -4.461 -1.313 1.196 89 HD12 LEU 13 2HD1 LEU 13 -6.074 -1.536 1.877 90 HD13 LEU 13 3HD1 LEU 13 -5.785 -1.864 0.169 91 HD21 LEU 13 3HD2 LEU 13 -4.939 -3.102 3.621 92 HD22 LEU 13 1HD2 LEU 13 -3.395 -2.858 2.801 93 HD23 LEU 13 2HD2 LEU 13 -4.025 -4.490 3.025 94 H THR 14 H THR 14 -6.534 -3.252 -2.104 95 HA THR 14 HA THR 14 -5.163 -5.568 -3.234 96 HB THR 14 HB THR 14 -5.732 -2.859 -4.480 97 HG1 THR 14 HG1 THR 14 -7.691 -3.641 -4.636 98 HG21 THR 14 3HG2 THR 14 -5.280 -3.976 -6.621 99 HG22 THR 14 1HG2 THR 14 -4.857 -5.458 -5.764 100 HG23 THR 14 2HG2 THR 14 -3.863 -4.014 -5.574 101 H VAL 15 H VAL 15 -3.081 -5.833 -2.659 102 HA VAL 15 HA VAL 15 -1.230 -3.552 -2.926 103 HB VAL 15 HB VAL 15 -1.218 -5.535 -0.626 104 HG11 VAL 15 1HG1 VAL 15 0.728 -3.300 -1.241 105 HG12 VAL 15 2HG1 VAL 15 1.066 -5.029 -1.339 106 HG13 VAL 15 3HG1 VAL 15 0.722 -4.286 0.222 107 HG21 VAL 15 3HG2 VAL 15 -1.591 -3.581 0.795 108 HG22 VAL 15 1HG2 VAL 15 -2.896 -3.767 -0.377 109 HG23 VAL 15 2HG2 VAL 15 -1.651 -2.542 -0.629 110 HA PRO 16 HA PRO 16 0.981 -6.693 -5.283 111 HB2 PRO 16 2HB PRO 16 3.087 -5.169 -6.022 112 HB3 PRO 16 1HB PRO 16 1.488 -4.986 -6.747 113 HG2 PRO 16 2HG PRO 16 2.804 -3.342 -4.623 114 HG3 PRO 16 1HG PRO 16 1.819 -2.811 -5.997 115 HD2 PRO 16 2HD PRO 16 0.878 -3.041 -3.428 116 HD3 PRO 16 1HD PRO 16 -0.146 -3.168 -4.871 117 H VAL 17 H VAL 17 2.967 -7.906 -5.131 118 HA VAL 17 HA VAL 17 3.819 -8.149 -2.381 119 HB VAL 17 HB VAL 17 3.254 -10.140 -3.702 120 HG11 VAL 17 1HG1 VAL 17 4.758 -10.974 -5.442 121 HG12 VAL 17 2HG1 VAL 17 5.733 -9.512 -5.312 122 HG13 VAL 17 3HG1 VAL 17 4.071 -9.412 -5.889 123 HG21 VAL 17 3HG2 VAL 17 5.175 -11.525 -3.052 124 HG22 VAL 17 1HG2 VAL 17 4.739 -10.377 -1.784 125 HG23 VAL 17 2HG2 VAL 17 6.140 -10.069 -2.809 126 H GLY 18 H GLY 18 5.308 -7.024 -5.392 127 HA2 GLY 18 2HA GLY 18 7.471 -5.815 -4.026 128 HA3 GLY 18 1HA GLY 18 8.003 -7.349 -4.688 129 H ALA 19 H ALA 19 8.574 -4.405 -5.244 130 HA ALA 19 HA ALA 19 8.575 -4.667 -8.175 131 HB1 ALA 19 3HB ALA 19 7.756 -2.141 -6.724 132 HB2 ALA 19 1HB ALA 19 6.675 -3.206 -7.623 133 HB3 ALA 19 2HB ALA 19 7.945 -2.321 -8.468 134 H THR 20 H THR 20 10.295 -3.539 -9.219 135 HA THR 20 HA THR 20 12.392 -2.448 -7.448 136 HB THR 20 HB THR 20 12.854 -4.423 -9.705 137 HG1 THR 20 HG1 THR 20 12.149 -5.271 -7.609 138 HG21 THR 20 3HG2 THR 20 15.236 -4.302 -9.067 139 HG22 THR 20 1HG2 THR 20 14.859 -3.014 -7.923 140 HG23 THR 20 2HG2 THR 20 14.642 -2.749 -9.654 141 H ILE 21 H ILE 21 13.044 -0.484 -8.059 142 HA ILE 21 HA ILE 21 12.774 0.334 -10.894 143 HB ILE 21 HB ILE 21 12.308 2.636 -10.109 144 HG12 ILE 21 2HG1 ILE 21 12.127 1.352 -7.365 145 HG13 ILE 21 1HG1 ILE 21 13.366 2.487 -7.892 146 HG21 ILE 21 1HG2 ILE 21 10.369 0.548 -9.104 147 HG22 ILE 21 2HG2 ILE 21 10.451 1.203 -10.740 148 HG23 ILE 21 3HG2 ILE 21 9.980 2.245 -9.397 149 HD11 ILE 21 3HD1 ILE 21 11.653 4.222 -8.150 150 HD12 ILE 21 1HD1 ILE 21 11.718 3.588 -6.504 151 HD13 ILE 21 2HD1 ILE 21 10.426 3.081 -7.594 152 H HIS 22 H HIS 22 14.113 2.512 -11.209 153 HA HIS 22 HA HIS 22 16.810 2.005 -10.120 154 HB2 HIS 22 2HB HIS 22 15.943 3.374 -12.673 155 HB3 HIS 22 1HB HIS 22 17.605 3.348 -12.097 156 HD1 HIS 22 HD1 HIS 22 15.039 1.264 -13.781 157 HD2 HIS 22 HD2 HIS 22 18.881 0.816 -12.258 158 HE1 HIS 22 HE1 HIS 22 15.900 -0.885 -14.749 159 HE2 HIS 22 HE2 HIS 22 18.153 -1.214 -13.687 160 H VAL 23 H VAL 23 18.211 3.853 -9.740 161 HA VAL 23 HA VAL 23 17.129 5.851 -8.104 162 HB VAL 23 HB VAL 23 19.808 5.728 -9.513 163 HG11 VAL 23 1HG1 VAL 23 19.349 8.054 -9.011 164 HG12 VAL 23 2HG1 VAL 23 20.561 7.441 -7.886 165 HG13 VAL 23 3HG1 VAL 23 18.889 7.641 -7.360 166 HG21 VAL 23 3HG2 VAL 23 19.445 3.937 -7.907 167 HG22 VAL 23 1HG2 VAL 23 18.987 5.107 -6.668 168 HG23 VAL 23 2HG2 VAL 23 20.640 5.076 -7.283 169 H GLY 24 H GLY 24 16.191 7.751 -8.507 170 HA2 GLY 24 2HA GLY 24 16.029 9.854 -9.637 171 HA3 GLY 24 1HA GLY 24 16.614 9.085 -11.104 172 H ASP 25 H ASP 25 14.441 6.950 -9.923 173 HA ASP 25 HA ASP 25 12.338 7.885 -11.704 174 HB2 ASP 25 2HB ASP 25 13.266 5.480 -11.552 175 HB3 ASP 25 1HB ASP 25 12.305 5.334 -10.083 176 H SER 26 H SER 26 9.989 7.061 -10.653 177 HA SER 26 HA SER 26 9.749 8.319 -7.997 178 HB2 SER 26 2HB SER 26 8.077 9.021 -10.428 179 HB3 SER 26 1HB SER 26 7.683 9.511 -8.781 180 HG SER 26 HG SER 26 9.221 10.784 -10.450 181 H PHE 27 H PHE 27 8.252 7.436 -6.642 182 HA PHE 27 HA PHE 27 6.578 5.220 -7.670 183 HB2 PHE 27 2HB PHE 27 8.639 4.445 -6.432 184 HB3 PHE 27 1HB PHE 27 8.024 5.265 -5.002 185 HD1 PHE 27 HD1 PHE 27 6.085 4.389 -3.798 186 HD2 PHE 27 HD2 PHE 27 7.670 2.386 -7.205 187 HE1 PHE 27 HE1 PHE 27 4.824 2.364 -3.190 188 HE2 PHE 27 HE2 PHE 27 6.412 0.364 -6.606 189 HZ PHE 27 HZ PHE 27 4.988 0.348 -4.595 190 H VAL 28 H VAL 28 4.460 5.172 -6.928 191 HA VAL 28 HA VAL 28 3.696 7.285 -4.995 192 HB VAL 28 HB VAL 28 2.126 6.508 -7.465 193 HG11 VAL 28 1HG1 VAL 28 0.725 8.448 -6.900 194 HG12 VAL 28 2HG1 VAL 28 1.661 8.691 -5.424 195 HG13 VAL 28 3HG1 VAL 28 0.693 7.228 -5.626 196 HG21 VAL 28 3HG2 VAL 28 3.751 9.001 -6.919 197 HG22 VAL 28 1HG2 VAL 28 2.728 8.729 -8.331 198 HG23 VAL 28 2HG2 VAL 28 4.156 7.729 -8.070 199 HA PRO 29 HA PRO 29 2.120 3.351 -3.209 200 HB2 PRO 29 2HB PRO 29 1.856 4.372 -0.674 201 HB3 PRO 29 1HB PRO 29 3.360 3.708 -1.324 202 HG2 PRO 29 2HG PRO 29 2.487 6.570 -1.120 203 HG3 PRO 29 1HG PRO 29 4.067 5.853 -0.747 204 HD2 PRO 29 2HD PRO 29 3.623 7.162 -3.056 205 HD3 PRO 29 1HD PRO 29 4.680 5.735 -2.989 206 H MET 30 H MET 30 0.720 6.600 -2.977 207 HA MET 30 HA MET 30 -1.810 5.648 -1.950 208 HB2 MET 30 2HB MET 30 -0.899 8.343 -2.962 209 HB3 MET 30 1HB MET 30 -2.541 8.039 -2.418 210 HG2 MET 30 2HG MET 30 -0.333 7.314 -0.571 211 HG3 MET 30 1HG MET 30 -0.667 9.025 -0.822 212 HE1 MET 30 3HE MET 30 -3.216 5.945 -0.753 213 HE2 MET 30 1HE MET 30 -3.715 6.008 0.938 214 HE3 MET 30 2HE MET 30 -2.051 5.598 0.525 215 H ALA 31 H ALA 31 -0.470 5.633 -5.035 216 HA ALA 31 HA ALA 31 -3.137 5.633 -6.313 217 HB1 ALA 31 3HB ALA 31 -1.562 7.248 -7.264 218 HB2 ALA 31 1HB ALA 31 -1.980 5.998 -8.435 219 HB3 ALA 31 2HB ALA 31 -0.423 5.944 -7.605 220 H GLU 32 H GLU 32 -0.134 3.795 -5.991 221 HA GLU 32 HA GLU 32 -0.974 1.673 -7.730 222 HB2 GLU 32 2HB GLU 32 1.339 1.881 -5.786 223 HB3 GLU 32 1HB GLU 32 1.112 0.558 -6.925 224 HG2 GLU 32 2HG GLU 32 1.329 2.070 -8.798 225 HG3 GLU 32 1HG GLU 32 1.411 3.453 -7.710 226 H VAL 33 H VAL 33 -1.723 2.406 -4.509 227 HA VAL 33 HA VAL 33 -2.541 -0.390 -4.006 228 HB VAL 33 HB VAL 33 -1.811 1.735 -1.974 229 HG11 VAL 33 1HG1 VAL 33 -3.627 0.357 -1.118 230 HG12 VAL 33 2HG1 VAL 33 -2.123 -0.042 -0.289 231 HG13 VAL 33 3HG1 VAL 33 -2.747 -1.110 -1.547 232 HG21 VAL 33 3HG2 VAL 33 -0.448 -0.865 -2.703 233 HG22 VAL 33 1HG2 VAL 33 0.049 0.236 -1.418 234 HG23 VAL 33 2HG2 VAL 33 0.127 0.755 -3.101 235 H LEU 34 H LEU 34 -4.674 -0.766 -3.862 236 HA LEU 34 HA LEU 34 -6.506 1.519 -3.423 237 HB2 LEU 34 2HB LEU 34 -6.894 -0.829 -5.294 238 HB3 LEU 34 1HB LEU 34 -8.123 0.362 -4.933 239 HG LEU 34 HG LEU 34 -7.254 0.927 -7.055 240 HD11 LEU 34 1HD1 LEU 34 -5.910 2.749 -5.063 241 HD12 LEU 34 2HD1 LEU 34 -7.590 2.848 -5.592 242 HD13 LEU 34 3HD1 LEU 34 -6.287 3.134 -6.745 243 HD21 LEU 34 3HD2 LEU 34 -5.209 -0.420 -6.949 244 HD22 LEU 34 1HD2 LEU 34 -4.470 0.791 -5.901 245 HD23 LEU 34 2HD2 LEU 34 -4.896 1.204 -7.562 246 H ALA 35 H ALA 35 -8.657 0.922 -2.579 247 HA ALA 35 HA ALA 35 -8.888 -1.701 -1.301 248 HB1 ALA 35 3HB ALA 35 -7.739 -0.314 0.373 249 HB2 ALA 35 1HB ALA 35 -9.345 -0.798 0.912 250 HB3 ALA 35 2HB ALA 35 -9.069 0.842 0.323 251 H ILE 36 H ILE 36 -10.868 -2.467 -1.628 252 HA ILE 36 HA ILE 36 -13.140 -0.585 -1.898 253 HB ILE 36 HB ILE 36 -12.670 -3.141 -3.459 254 HG12 ILE 36 2HG1 ILE 36 -11.362 -1.211 -4.272 255 HG13 ILE 36 1HG1 ILE 36 -12.598 -1.692 -5.431 256 HG21 ILE 36 1HG2 ILE 36 -15.022 -2.969 -2.945 257 HG22 ILE 36 2HG2 ILE 36 -14.774 -2.578 -4.645 258 HG23 ILE 36 3HG2 ILE 36 -15.057 -1.287 -3.477 259 HD11 ILE 36 3HD1 ILE 36 -12.778 0.635 -3.528 260 HD12 ILE 36 1HD1 ILE 36 -14.010 0.157 -4.695 261 HD13 ILE 36 2HD1 ILE 36 -12.437 0.720 -5.256 262 H ASP 37 H ASP 37 -14.950 -1.047 -0.731 263 HA ASP 37 HA ASP 37 -15.027 -3.609 0.735 264 HB2 ASP 37 2HB ASP 37 -14.506 -1.687 2.199 265 HB3 ASP 37 1HB ASP 37 -16.009 -0.910 1.699 266 H LYS 38 H LYS 38 -17.085 -4.546 1.145 267 HA LYS 38 HA LYS 38 -18.861 -4.437 -1.037 268 HB2 LYS 38 2HB LYS 38 -18.565 -6.445 0.368 269 HB3 LYS 38 1HB LYS 38 -19.342 -5.618 1.713 270 HG2 LYS 38 2HG LYS 38 -21.400 -5.413 0.317 271 HG3 LYS 38 1HG LYS 38 -20.607 -6.389 -0.916 272 HD2 LYS 38 2HD LYS 38 -22.036 -7.824 0.368 273 HD3 LYS 38 1HD LYS 38 -20.366 -8.215 0.781 274 HE2 LYS 38 2HE LYS 38 -20.536 -7.013 2.856 275 HE3 LYS 38 1HE LYS 38 -22.116 -6.368 2.411 276 HZ1 LYS 38 3HZ LYS 38 -22.344 -8.201 3.954 277 HZ2 LYS 38 1HZ LYS 38 -21.493 -9.230 2.913 278 HZ3 LYS 38 2HZ LYS 38 -23.000 -8.622 2.455 279 H GLU 39 H GLU 39 -19.501 -3.453 2.355 280 HA GLU 39 HA GLU 39 -22.010 -2.230 1.499 281 HB2 GLU 39 2HB GLU 39 -21.389 -1.740 4.300 282 HB3 GLU 39 1HB GLU 39 -22.768 -2.550 3.583 283 HG2 GLU 39 2HG GLU 39 -21.766 -4.108 5.028 284 HG3 GLU 39 1HG GLU 39 -21.320 -4.609 3.397 285 H ASP 40 H ASP 40 -19.042 -1.132 3.157 286 HA ASP 40 HA ASP 40 -19.920 1.551 3.441 287 HB2 ASP 40 2HB ASP 40 -18.071 0.276 4.731 288 HB3 ASP 40 1HB ASP 40 -17.020 0.721 3.392 289 H GLY 41 H GLY 41 -17.634 0.040 1.150 290 HA2 GLY 41 2HA GLY 41 -17.966 0.739 -1.223 291 HA3 GLY 41 1HA GLY 41 -17.994 2.389 -0.625 292 H ASP 42 H ASP 42 -16.248 3.087 -1.842 293 HA ASP 42 HA ASP 42 -13.746 1.715 -1.916 294 HB2 ASP 42 2HB ASP 42 -14.419 3.233 -3.715 295 HB3 ASP 42 1HB ASP 42 -14.431 4.591 -2.593 296 H LEU 43 H LEU 43 -12.503 1.474 -0.160 297 HA LEU 43 HA LEU 43 -12.358 3.656 1.818 298 HB2 LEU 43 2HB LEU 43 -11.664 0.723 2.043 299 HB3 LEU 43 1HB LEU 43 -11.357 1.898 3.308 300 HG LEU 43 HG LEU 43 -14.074 1.102 2.242 301 HD11 LEU 43 1HD1 LEU 43 -14.425 0.150 4.464 302 HD12 LEU 43 2HD1 LEU 43 -12.774 0.582 4.918 303 HD13 LEU 43 3HD1 LEU 43 -13.057 -0.609 3.649 304 HD21 LEU 43 3HD2 LEU 43 -13.330 3.085 4.398 305 HD22 LEU 43 1HD2 LEU 43 -14.966 2.517 4.060 306 HD23 LEU 43 2HD2 LEU 43 -14.089 3.446 2.847 307 H THR 44 H THR 44 -10.828 3.230 -0.834 308 HA THR 44 HA THR 44 -8.117 2.781 -0.353 309 HB THR 44 HB THR 44 -9.276 4.732 -2.369 310 HG1 THR 44 HG1 THR 44 -10.167 2.861 -2.983 311 HG21 THR 44 3HG2 THR 44 -6.645 3.242 -2.321 312 HG22 THR 44 1HG2 THR 44 -6.857 4.976 -2.087 313 HG23 THR 44 2HG2 THR 44 -7.227 4.246 -3.648 314 H SER 45 H SER 45 -10.026 5.721 0.059 315 HA SER 45 HA SER 45 -7.861 7.483 0.613 316 HB2 SER 45 2HB SER 45 -10.752 7.724 1.507 317 HB3 SER 45 1HB SER 45 -9.566 9.027 1.461 318 HG SER 45 HG SER 45 -9.603 7.932 -0.945 319 H LYS 46 H LYS 46 -9.143 4.948 2.454 320 HA LYS 46 HA LYS 46 -8.465 6.190 5.036 321 HB2 LYS 46 2HB LYS 46 -9.824 3.527 4.564 322 HB3 LYS 46 1HB LYS 46 -9.726 4.417 6.076 323 HG2 LYS 46 2HG LYS 46 -11.229 5.309 3.616 324 HG3 LYS 46 1HG LYS 46 -11.947 4.564 5.044 325 HD2 LYS 46 2HD LYS 46 -10.444 7.191 5.014 326 HD3 LYS 46 1HD LYS 46 -12.200 7.024 5.014 327 HE2 LYS 46 2HE LYS 46 -12.038 5.810 7.176 328 HE3 LYS 46 1HE LYS 46 -10.303 6.124 7.185 329 HZ1 LYS 46 3HZ LYS 46 -10.782 8.499 7.179 330 HZ2 LYS 46 1HZ LYS 46 -11.486 7.743 8.517 331 HZ3 LYS 46 2HZ LYS 46 -12.440 8.181 7.196 332 H ILE 47 H ILE 47 -6.819 4.561 2.762 333 HA ILE 47 HA ILE 47 -5.583 2.454 4.261 334 HB ILE 47 HB ILE 47 -4.680 3.793 1.699 335 HG12 ILE 47 2HG1 ILE 47 -6.180 1.189 2.134 336 HG13 ILE 47 1HG1 ILE 47 -6.891 2.687 1.536 337 HG21 ILE 47 1HG2 ILE 47 -3.273 1.809 1.362 338 HG22 ILE 47 2HG2 ILE 47 -3.759 1.196 2.941 339 HG23 ILE 47 3HG2 ILE 47 -2.816 2.680 2.825 340 HD11 ILE 47 3HD1 ILE 47 -5.472 2.573 -0.443 341 HD12 ILE 47 1HD1 ILE 47 -6.451 1.117 -0.266 342 HD13 ILE 47 2HD1 ILE 47 -4.742 1.085 0.163 343 H LYS 48 H LYS 48 -4.173 2.741 5.854 344 HA LYS 48 HA LYS 48 -2.603 5.161 6.137 345 HB2 LYS 48 2HB LYS 48 -3.624 4.007 8.093 346 HB3 LYS 48 1HB LYS 48 -2.593 2.616 7.790 347 HG2 LYS 48 2HG LYS 48 -0.611 4.073 8.162 348 HG3 LYS 48 1HG LYS 48 -1.708 5.385 8.590 349 HD2 LYS 48 2HD LYS 48 -1.585 2.719 10.014 350 HD3 LYS 48 1HD LYS 48 -0.756 4.175 10.556 351 HE2 LYS 48 2HE LYS 48 -2.761 3.988 11.829 352 HE3 LYS 48 1HE LYS 48 -2.998 5.297 10.677 353 HZ1 LYS 48 3HZ LYS 48 -4.374 3.919 9.343 354 HZ2 LYS 48 1HZ LYS 48 -4.914 3.755 10.933 355 HZ3 LYS 48 2HZ LYS 48 -3.985 2.530 10.230 356 H VAL 49 H VAL 49 -0.723 5.410 5.067 357 HA VAL 49 HA VAL 49 0.726 3.040 4.120 358 HB VAL 49 HB VAL 49 1.128 5.959 3.415 359 HG11 VAL 49 1HG1 VAL 49 2.534 5.120 1.577 360 HG12 VAL 49 2HG1 VAL 49 2.357 3.479 2.200 361 HG13 VAL 49 3HG1 VAL 49 3.197 4.700 3.155 362 HG21 VAL 49 3HG2 VAL 49 -0.219 3.732 1.873 363 HG22 VAL 49 1HG2 VAL 49 0.089 5.358 1.263 364 HG23 VAL 49 2HG2 VAL 49 -1.017 5.119 2.614 365 H ASP 50 H ASP 50 2.119 2.256 5.580 366 HA ASP 50 HA ASP 50 3.770 4.090 7.180 367 HB2 ASP 50 2HB ASP 50 2.477 2.347 8.372 368 HB3 ASP 50 1HB ASP 50 3.329 1.104 7.459 369 H GLY 51 H GLY 51 5.865 4.400 6.663 370 HA2 GLY 51 2HA GLY 51 8.044 3.408 6.185 371 HA3 GLY 51 1HA GLY 51 7.249 2.337 5.046 372 H GLU 52 H GLU 52 9.472 3.757 4.289 373 HA GLU 52 HA GLU 52 8.412 5.506 2.210 374 HB2 GLU 52 2HB GLU 52 8.830 6.994 4.141 375 HB3 GLU 52 1HB GLU 52 10.507 6.467 4.177 376 HG2 GLU 52 2HG GLU 52 10.941 7.490 2.054 377 HG3 GLU 52 1HG GLU 52 9.232 7.857 1.822 378 H VAL 53 H VAL 53 9.753 5.725 0.406 379 HA VAL 53 HA VAL 53 12.136 3.964 0.357 380 HB VAL 53 HB VAL 53 10.185 4.448 -1.915 381 HG11 VAL 53 1HG1 VAL 53 12.555 2.578 -1.729 382 HG12 VAL 53 2HG1 VAL 53 12.459 4.045 -2.703 383 HG13 VAL 53 3HG1 VAL 53 11.420 2.671 -3.077 384 HG21 VAL 53 3HG2 VAL 53 9.534 2.085 -1.604 385 HG22 VAL 53 1HG2 VAL 53 9.140 3.083 -0.204 386 HG23 VAL 53 2HG2 VAL 53 10.543 2.016 -0.160 387 H ASP 54 H ASP 54 13.979 5.072 -0.036 388 HA ASP 54 HA ASP 54 14.033 7.702 -1.165 389 HB2 ASP 54 2HB ASP 54 16.336 5.758 -0.833 390 HB3 ASP 54 1HB ASP 54 16.465 7.493 -1.086 391 H THR 55 H THR 55 14.334 8.326 -3.276 392 HA THR 55 HA THR 55 14.591 6.219 -5.305 393 HB THR 55 HB THR 55 14.018 7.948 -6.958 394 HG1 THR 55 HG1 THR 55 14.761 9.855 -6.151 395 HG21 THR 55 3HG2 THR 55 12.202 6.714 -5.854 396 HG22 THR 55 1HG2 THR 55 11.710 8.363 -6.242 397 HG23 THR 55 2HG2 THR 55 12.138 7.937 -4.584 398 H THR 56 H THR 56 16.652 8.018 -3.547 399 HA THR 56 HA THR 56 18.659 8.244 -5.709 400 HB THR 56 HB THR 56 19.831 9.889 -4.268 401 HG1 THR 56 HG1 THR 56 18.609 10.730 -2.459 402 HG21 THR 56 3HG2 THR 56 18.271 10.690 -5.989 403 HG22 THR 56 1HG2 THR 56 18.268 11.749 -4.578 404 HG23 THR 56 2HG2 THR 56 16.946 10.609 -4.827 405 H LYS 57 H LYS 57 17.819 6.157 -3.391 406 HA LYS 57 HA LYS 57 20.599 5.543 -2.589 407 HB2 LYS 57 2HB LYS 57 19.312 6.480 -0.698 408 HB3 LYS 57 1HB LYS 57 18.090 5.238 -0.915 409 HG2 LYS 57 2HG LYS 57 19.413 4.540 0.902 410 HG3 LYS 57 1HG LYS 57 19.899 3.535 -0.463 411 HD2 LYS 57 2HD LYS 57 21.882 4.219 0.690 412 HD3 LYS 57 1HD LYS 57 21.819 5.096 -0.840 413 HE2 LYS 57 2HE LYS 57 22.495 6.581 0.971 414 HE3 LYS 57 1HE LYS 57 20.922 7.061 0.333 415 HZ1 LYS 57 3HZ LYS 57 21.010 7.096 2.770 416 HZ2 LYS 57 1HZ LYS 57 21.333 5.440 2.788 417 HZ3 LYS 57 2HZ LYS 57 19.856 6.006 2.201 418 H ALA 58 H ALA 58 21.246 3.612 -3.357 419 HA ALA 58 HA ALA 58 19.460 1.642 -4.379 420 HB1 ALA 58 3HB ALA 58 21.740 1.887 -5.222 421 HB2 ALA 58 1HB ALA 58 21.440 0.244 -4.655 422 HB3 ALA 58 2HB ALA 58 22.378 1.361 -3.665 423 H GLY 59 H GLY 59 18.154 0.427 -3.153 424 HA2 GLY 59 2HA GLY 59 19.047 -1.438 -1.276 425 HA3 GLY 59 1HA GLY 59 18.515 -0.027 -0.375 426 H THR 60 H THR 60 17.258 -2.397 0.065 427 HA THR 60 HA THR 60 14.720 -2.273 -1.431 428 HB THR 60 HB THR 60 15.716 -4.437 0.447 429 HG1 THR 60 HG1 THR 60 15.390 -4.630 -2.374 430 HG21 THR 60 3HG2 THR 60 13.260 -4.288 0.380 431 HG22 THR 60 1HG2 THR 60 13.840 -5.762 -0.397 432 HG23 THR 60 2HG2 THR 60 13.304 -4.400 -1.380 433 H TYR 61 H TYR 61 13.024 -1.283 -0.511 434 HA TYR 61 HA TYR 61 12.833 -1.189 2.438 435 HB2 TYR 61 2HB TYR 61 11.779 0.840 0.452 436 HB3 TYR 61 1HB TYR 61 11.614 0.929 2.202 437 HD1 TYR 61 HD1 TYR 61 13.729 1.136 3.597 438 HD2 TYR 61 HD2 TYR 61 13.691 1.714 -0.621 439 HE1 TYR 61 HE1 TYR 61 15.857 2.355 3.750 440 HE2 TYR 61 HE2 TYR 61 15.819 2.931 -0.477 441 HH TYR 61 HH TYR 61 17.043 4.253 1.271 442 H VAL 62 H VAL 62 11.181 -2.321 3.240 443 HA VAL 62 HA VAL 62 8.959 -3.114 1.517 444 HB VAL 62 HB VAL 62 9.580 -3.928 4.370 445 HG11 VAL 62 1HG1 VAL 62 7.954 -5.732 4.001 446 HG12 VAL 62 2HG1 VAL 62 7.577 -5.072 2.410 447 HG13 VAL 62 3HG1 VAL 62 7.198 -4.145 3.863 448 HG21 VAL 62 3HG2 VAL 62 11.302 -4.684 2.816 449 HG22 VAL 62 1HG2 VAL 62 10.070 -5.391 1.768 450 HG23 VAL 62 2HG2 VAL 62 10.339 -6.049 3.383 451 H LEU 63 H LEU 63 7.160 -1.919 1.441 452 HA LEU 63 HA LEU 63 6.569 -0.006 3.580 453 HB2 LEU 63 2HB LEU 63 5.206 -0.356 0.899 454 HB3 LEU 63 1HB LEU 63 5.008 0.993 2.004 455 HG LEU 63 HG LEU 63 7.515 0.296 0.460 456 HD11 LEU 63 1HD1 LEU 63 5.593 2.612 0.207 457 HD12 LEU 63 2HD1 LEU 63 5.799 1.287 -0.939 458 HD13 LEU 63 3HD1 LEU 63 7.110 2.434 -0.678 459 HD21 LEU 63 3HD2 LEU 63 8.043 1.191 2.685 460 HD22 LEU 63 1HD2 LEU 63 7.026 2.594 2.358 461 HD23 LEU 63 2HD2 LEU 63 8.483 2.318 1.403 462 H THR 64 H THR 64 4.538 0.073 4.645 463 HA THR 64 HA THR 64 2.977 -2.442 4.523 464 HB THR 64 HB THR 64 3.238 -0.610 6.930 465 HG1 THR 64 HG1 THR 64 5.225 -1.641 6.511 466 HG21 THR 64 3HG2 THR 64 1.172 -1.930 6.895 467 HG22 THR 64 1HG2 THR 64 2.260 -2.510 8.154 468 HG23 THR 64 2HG2 THR 64 2.105 -3.406 6.643 469 H TYR 65 H TYR 65 0.823 -2.307 4.144 470 HA TYR 65 HA TYR 65 -0.445 0.367 4.211 471 HB2 TYR 65 2HB TYR 65 -1.035 -1.863 2.241 472 HB3 TYR 65 1HB TYR 65 -1.760 -0.258 2.253 473 HD1 TYR 65 HD2 TYR 65 -0.344 1.738 1.697 474 HD2 TYR 65 HD1 TYR 65 1.097 -2.245 1.239 475 HE1 TYR 65 HE2 TYR 65 1.469 2.561 0.254 476 HE2 TYR 65 HE1 TYR 65 2.910 -1.426 -0.202 477 HH TYR 65 HH TYR 65 3.692 1.870 -0.486 478 H THR 66 H THR 66 -1.959 0.462 5.740 479 HA THR 66 HA THR 66 -3.547 -1.967 6.331 480 HB THR 66 HB THR 66 -2.688 0.135 8.343 481 HG1 THR 66 HG1 THR 66 -1.079 -1.180 8.870 482 HG21 THR 66 3HG2 THR 66 -3.593 -1.434 10.012 483 HG22 THR 66 1HG2 THR 66 -4.152 -2.490 8.714 484 HG23 THR 66 2HG2 THR 66 -4.845 -0.877 8.901 485 H VAL 67 H VAL 67 -5.682 -1.717 5.989 486 HA VAL 67 HA VAL 67 -6.823 1.013 6.140 487 HB VAL 67 HB VAL 67 -6.794 0.216 3.826 488 HG11 VAL 67 1HG1 VAL 67 -8.120 -1.710 3.111 489 HG12 VAL 67 2HG1 VAL 67 -8.508 -2.076 4.793 490 HG13 VAL 67 3HG1 VAL 67 -6.841 -2.189 4.228 491 HG21 VAL 67 3HG2 VAL 67 -8.626 1.676 4.541 492 HG22 VAL 67 1HG2 VAL 67 -9.596 0.264 4.966 493 HG23 VAL 67 2HG2 VAL 67 -9.153 0.559 3.282 494 H THR 68 H THR 68 -8.685 1.324 7.295 495 HA THR 68 HA THR 68 -9.715 -1.020 8.780 496 HB THR 68 HB THR 68 -9.646 1.832 9.805 497 HG1 THR 68 HG1 THR 68 -7.970 0.134 11.092 498 HG21 THR 68 3HG2 THR 68 -11.349 0.426 10.855 499 HG22 THR 68 1HG2 THR 68 -10.042 0.765 11.991 500 HG23 THR 68 2HG2 THR 68 -10.137 -0.809 11.201 501 H ASP 69 H ASP 69 -11.817 -1.458 8.591 502 HA ASP 69 HA ASP 69 -13.621 0.188 7.097 503 HB2 ASP 69 2HB ASP 69 -13.649 -2.349 7.207 504 HB3 ASP 69 1HB ASP 69 -14.311 -2.202 8.829 505 H SER 70 H SER 70 -15.584 1.139 7.882 506 HA SER 70 HA SER 70 -15.252 2.717 10.189 507 HB2 SER 70 2HB SER 70 -17.769 2.175 8.593 508 HB3 SER 70 1HB SER 70 -17.569 3.479 9.766 509 HG SER 70 HG SER 70 -17.001 3.564 7.222 510 H LYS 71 H LYS 71 -16.812 -0.407 9.778 511 HA LYS 71 HA LYS 71 -17.999 -0.225 12.455 512 HB2 LYS 71 2HB LYS 71 -18.278 -2.335 10.308 513 HB3 LYS 71 1HB LYS 71 -18.983 -2.485 11.911 514 HG2 LYS 71 2HG LYS 71 -20.731 -1.709 10.560 515 HG3 LYS 71 1HG LYS 71 -20.170 -0.277 11.423 516 HD2 LYS 71 2HD LYS 71 -20.495 0.380 9.160 517 HD3 LYS 71 1HD LYS 71 -18.752 0.247 9.397 518 HE2 LYS 71 2HE LYS 71 -18.932 -2.101 8.457 519 HE3 LYS 71 1HE LYS 71 -20.585 -1.693 7.994 520 HZ1 LYS 71 3HZ LYS 71 -19.201 -1.306 6.134 521 HZ2 LYS 71 1HZ LYS 71 -18.077 -0.428 7.047 522 HZ3 LYS 71 2HZ LYS 71 -19.612 0.216 6.741 523 H GLY 72 H GLY 72 -15.003 -0.976 11.361 524 HA2 GLY 72 2HA GLY 72 -13.367 -1.458 13.036 525 HA3 GLY 72 1HA GLY 72 -14.538 -2.457 13.866 526 H HIS 73 H HIS 73 -13.866 -2.797 10.395 527 HA HIS 73 HA HIS 73 -12.376 -5.277 11.012 528 HB2 HIS 73 2HB HIS 73 -14.009 -4.500 8.598 529 HB3 HIS 73 1HB HIS 73 -12.844 -5.816 8.537 530 HD1 HIS 73 HD1 HIS 73 -16.295 -5.189 9.196 531 HD2 HIS 73 HD2 HIS 73 -13.471 -7.853 10.661 532 HE1 HIS 73 HE1 HIS 73 -17.614 -7.060 10.202 533 HE2 HIS 73 HE2 HIS 73 -15.890 -8.562 11.259 534 H GLU 74 H GLU 74 -10.238 -5.043 10.907 535 HA GLU 74 HA GLU 74 -9.116 -3.018 9.064 536 HB2 GLU 74 2HB GLU 74 -8.848 -2.441 11.429 537 HB3 GLU 74 1HB GLU 74 -8.051 -3.979 11.729 538 HG2 GLU 74 2HG GLU 74 -6.213 -3.318 10.253 539 HG3 GLU 74 1HG GLU 74 -7.014 -1.776 9.949 540 H VAL 75 H VAL 75 -8.023 -3.843 7.394 541 HA VAL 75 HA VAL 75 -6.542 -6.380 7.768 542 HB VAL 75 HB VAL 75 -6.787 -6.791 5.344 543 HG11 VAL 75 1HG1 VAL 75 -9.163 -7.399 5.362 544 HG12 VAL 75 2HG1 VAL 75 -9.416 -6.378 6.779 545 HG13 VAL 75 3HG1 VAL 75 -8.379 -7.803 6.889 546 HG21 VAL 75 3HG2 VAL 75 -7.029 -4.481 4.579 547 HG22 VAL 75 1HG2 VAL 75 -8.602 -4.368 5.373 548 HG23 VAL 75 2HG2 VAL 75 -8.375 -5.472 4.014 549 H THR 76 H THR 76 -4.516 -6.601 6.532 550 HA THR 76 HA THR 76 -3.258 -4.096 5.701 551 HB THR 76 HB THR 76 -2.855 -4.089 8.106 552 HG1 THR 76 HG1 THR 76 -1.077 -3.222 7.319 553 HG21 THR 76 3HG2 THR 76 -1.520 -6.770 7.677 554 HG22 THR 76 1HG2 THR 76 -3.013 -6.483 8.569 555 HG23 THR 76 2HG2 THR 76 -1.486 -5.838 9.173 556 H ALA 77 H ALA 77 -1.470 -4.314 4.396 557 HA ALA 77 HA ALA 77 -0.269 -6.933 3.952 558 HB1 ALA 77 3HB ALA 77 -1.612 -5.424 1.704 559 HB2 ALA 77 1HB ALA 77 -2.159 -6.947 2.405 560 HB3 ALA 77 2HB ALA 77 -0.631 -6.879 1.526 561 H LYS 78 H LYS 78 1.831 -6.830 3.132 562 HA LYS 78 HA LYS 78 2.979 -4.118 2.978 563 HB2 LYS 78 2HB LYS 78 4.273 -6.758 3.685 564 HB3 LYS 78 1HB LYS 78 5.146 -5.239 3.531 565 HG2 LYS 78 2HG LYS 78 3.845 -4.288 5.363 566 HG3 LYS 78 1HG LYS 78 2.932 -5.791 5.509 567 HD2 LYS 78 2HD LYS 78 5.914 -5.480 5.926 568 HD3 LYS 78 1HD LYS 78 4.706 -5.617 7.206 569 HE2 LYS 78 2HE LYS 78 4.084 -7.853 6.306 570 HE3 LYS 78 1HE LYS 78 5.399 -7.711 5.140 571 HZ1 LYS 78 3HZ LYS 78 6.078 -9.003 7.049 572 HZ2 LYS 78 1HZ LYS 78 5.693 -7.729 8.094 573 HZ3 LYS 78 2HZ LYS 78 6.959 -7.562 6.992 574 H GLN 79 H GLN 79 4.800 -3.769 1.547 575 HA GLN 79 HA GLN 79 4.825 -5.425 -0.897 576 HB2 GLN 79 2HB GLN 79 3.406 -3.556 -1.431 577 HB3 GLN 79 1HB GLN 79 4.529 -2.421 -0.693 578 HG2 GLN 79 2HG GLN 79 6.183 -2.993 -2.466 579 HG3 GLN 79 1HG GLN 79 4.948 -3.989 -3.232 580 HE21 GLN 79 1HE2 GLN 79 4.247 -0.943 -1.651 581 HE22 GLN 79 2HE2 GLN 79 3.854 -0.080 -3.087 582 H THR 80 H THR 80 6.852 -5.884 -1.614 583 HA THR 80 HA THR 80 9.125 -4.678 -0.201 584 HB THR 80 HB THR 80 9.058 -7.072 -2.062 585 HG1 THR 80 HG1 THR 80 7.969 -7.405 -0.045 586 HG21 THR 80 3HG2 THR 80 11.268 -6.030 -2.032 587 HG22 THR 80 1HG2 THR 80 11.301 -7.558 -1.154 588 HG23 THR 80 2HG2 THR 80 11.263 -6.034 -0.268 589 H VAL 81 H VAL 81 9.774 -2.795 -1.131 590 HA VAL 81 HA VAL 81 9.984 -2.647 -4.070 591 HB VAL 81 HB VAL 81 10.173 -0.395 -2.051 592 HG11 VAL 81 1HG1 VAL 81 9.910 -0.344 -5.063 593 HG12 VAL 81 2HG1 VAL 81 11.331 0.123 -4.127 594 HG13 VAL 81 3HG1 VAL 81 9.847 1.069 -4.009 595 HG21 VAL 81 3HG2 VAL 81 7.903 0.211 -2.762 596 HG22 VAL 81 1HG2 VAL 81 7.942 -1.388 -2.021 597 HG23 VAL 81 2HG2 VAL 81 7.834 -1.231 -3.774 598 H THR 82 H THR 82 11.938 -2.448 -5.085 599 HA THR 82 HA THR 82 14.351 -2.061 -3.414 600 HB THR 82 HB THR 82 14.095 -3.912 -5.807 601 HG1 THR 82 HG1 THR 82 14.140 -5.538 -4.361 602 HG21 THR 82 3HG2 THR 82 16.304 -2.876 -5.740 603 HG22 THR 82 1HG2 THR 82 16.413 -4.573 -5.275 604 HG23 THR 82 2HG2 THR 82 16.480 -3.315 -4.042 605 H VAL 83 H VAL 83 15.706 -0.489 -4.062 606 HA VAL 83 HA VAL 83 15.308 0.700 -6.737 607 HB VAL 83 HB VAL 83 16.576 1.973 -4.297 608 HG11 VAL 83 1HG1 VAL 83 17.475 2.881 -6.364 609 HG12 VAL 83 2HG1 VAL 83 16.421 4.067 -5.591 610 HG13 VAL 83 3HG1 VAL 83 15.843 3.151 -6.986 611 HG21 VAL 83 3HG2 VAL 83 14.175 1.609 -3.971 612 HG22 VAL 83 1HG2 VAL 83 13.834 2.430 -5.493 613 HG23 VAL 83 2HG2 VAL 83 14.536 3.325 -4.145 614 H LYS 84 H LYS 84 16.907 0.542 -8.189 615 HA LYS 84 HA LYS 84 19.604 -0.252 -7.275 616 HB2 LYS 84 2HB LYS 84 18.266 -0.858 -9.924 617 HB3 LYS 84 1HB LYS 84 19.893 -1.342 -9.465 618 HG2 LYS 84 2HG LYS 84 18.950 -2.727 -7.656 619 HG3 LYS 84 1HG LYS 84 17.328 -2.261 -8.168 620 HD2 LYS 84 2HD LYS 84 17.680 -4.367 -9.149 621 HD3 LYS 84 1HD LYS 84 17.948 -3.218 -10.458 622 HE2 LYS 84 2HE LYS 84 20.104 -4.549 -8.806 623 HE3 LYS 84 1HE LYS 84 19.631 -5.014 -10.435 624 HZ1 LYS 84 3HZ LYS 84 20.870 -2.441 -9.623 625 HZ2 LYS 84 1HZ LYS 84 20.322 -2.790 -11.185 626 HZ3 LYS 84 2HZ LYS 84 21.594 -3.677 -10.516 627 H VAL 85 H VAL 85 21.426 0.606 -8.442 628 HA VAL 85 HA VAL 85 21.017 3.370 -9.218 629 HB VAL 85 HB VAL 85 23.634 1.845 -9.219 630 HG11 VAL 85 1HG1 VAL 85 23.038 4.799 -8.970 631 HG12 VAL 85 2HG1 VAL 85 23.677 3.990 -10.401 632 HG13 VAL 85 3HG1 VAL 85 24.639 4.060 -8.925 633 HG21 VAL 85 3HG2 VAL 85 22.606 1.616 -7.023 634 HG22 VAL 85 1HG2 VAL 85 22.346 3.359 -6.937 635 HG23 VAL 85 2HG2 VAL 85 23.987 2.709 -6.940 636 H ARG 86 H ARG 86 21.470 4.283 -11.247 637 HA ARG 86 HA ARG 86 21.269 2.461 -13.485 638 HB2 ARG 86 2HB ARG 86 21.269 4.668 -14.828 639 HB3 ARG 86 1HB ARG 86 19.886 4.283 -13.822 640 HG2 ARG 86 2HG ARG 86 20.309 6.579 -13.516 641 HG3 ARG 86 1HG ARG 86 20.875 5.781 -12.052 642 HD2 ARG 86 2HD ARG 86 23.152 6.041 -12.687 643 HD3 ARG 86 1HD ARG 86 22.712 6.513 -14.331 644 HE ARG 86 HE ARG 86 21.532 8.432 -12.892 645 HH11 ARG 86 1HH1 ARG 86 24.729 7.165 -12.680 646 HH12 ARG 86 2HH1 ARG 86 25.410 8.681 -12.210 647 HH21 ARG 86 1HH2 ARG 86 22.421 10.371 -12.318 648 HH22 ARG 86 2HH2 ARG 86 24.118 10.475 -11.997 649 H GLU 87 H GLU 87 22.623 2.644 -15.396 650 HA GLU 87 HA GLU 87 25.350 2.233 -14.719 651 HB2 GLU 87 2HB GLU 87 24.042 2.490 -17.438 652 HB3 GLU 87 1HB GLU 87 25.670 1.891 -17.151 653 HG2 GLU 87 2HG GLU 87 24.788 0.000 -15.913 654 HG3 GLU 87 1HG GLU 87 23.146 0.616 -16.105 655 H GLU 88 H GLU 88 27.170 3.442 -15.088 656 HA GLU 88 HA GLU 88 26.823 6.163 -16.172 657 HB2 GLU 88 2HB GLU 88 27.725 5.963 -13.834 658 HB3 GLU 88 1HB GLU 88 29.117 5.109 -14.489 659 HG2 GLU 88 2HG GLU 88 29.666 7.096 -15.846 660 HG3 GLU 88 1HG GLU 88 28.301 7.943 -15.122 661 H VAL 89 H VAL 89 27.983 6.780 -17.973 662 HA VAL 89 HA VAL 89 29.194 4.643 -19.521 663 HB VAL 89 HB VAL 89 29.295 6.288 -21.362 664 HG11 VAL 89 1HG1 VAL 89 27.285 4.943 -21.064 665 HG12 VAL 89 2HG1 VAL 89 26.871 6.547 -21.669 666 HG13 VAL 89 3HG1 VAL 89 26.616 6.153 -19.968 667 HG21 VAL 89 3HG2 VAL 89 28.058 8.213 -19.379 668 HG22 VAL 89 1HG2 VAL 89 28.307 8.514 -21.099 669 HG23 VAL 89 2HG2 VAL 89 29.695 8.313 -20.030 670 H LYS 90 H LYS 90 31.157 5.434 -20.960 671 HA LYS 90 HA LYS 90 33.417 5.641 -19.297 672 HB2 LYS 90 2HB LYS 90 33.141 6.137 -22.270 673 HB3 LYS 90 1HB LYS 90 34.678 6.000 -21.425 674 HG2 LYS 90 2HG LYS 90 34.177 3.703 -20.820 675 HG3 LYS 90 1HG LYS 90 32.584 3.829 -21.569 676 HD2 LYS 90 2HD LYS 90 33.616 4.170 -23.756 677 HD3 LYS 90 1HD LYS 90 35.221 4.129 -23.023 678 HE2 LYS 90 2HE LYS 90 33.235 1.850 -23.041 679 HE3 LYS 90 1HE LYS 90 34.645 1.992 -24.091 680 HZ1 LYS 90 3HZ LYS 90 36.044 1.987 -22.086 681 HZ2 LYS 90 1HZ LYS 90 35.146 0.563 -22.245 682 HZ3 LYS 90 2HZ LYS 90 34.672 1.742 -21.132 683 H ASN 91 H ASN 91 33.234 7.461 -17.962 684 HA ASN 91 HA ASN 91 33.242 10.110 -19.204 685 HB2 ASN 91 2HB ASN 91 33.096 9.221 -16.316 686 HB3 ASN 91 1HB ASN 91 33.181 10.909 -16.812 687 HD21 ASN 91 1HD2 ASN 91 31.072 9.365 -15.422 688 HD22 ASN 91 2HD2 ASN 91 29.644 9.626 -16.361 689 H ASP 92 H ASP 92 34.766 11.740 -18.141 690 HA ASP 92 HA ASP 92 37.473 10.814 -18.581 691 HB2 ASP 92 2HB ASP 92 36.519 13.589 -17.837 692 HB3 ASP 92 1HB ASP 92 38.048 13.154 -18.600 693 H LYS 93 H LYS 93 36.202 9.797 -16.205 694 HA LYS 93 HA LYS 93 36.399 9.523 -13.972 695 HB2 LYS 93 2HB LYS 93 38.764 9.050 -14.791 696 HB3 LYS 93 1HB LYS 93 39.181 10.672 -14.258 697 HG2 LYS 93 2HG LYS 93 39.799 9.035 -12.576 698 HG3 LYS 93 1HG LYS 93 38.518 10.089 -11.968 699 HD2 LYS 93 2HD LYS 93 36.856 8.345 -12.586 700 HD3 LYS 93 1HD LYS 93 38.186 7.290 -13.060 701 HE2 LYS 93 2HE LYS 93 39.039 7.330 -10.767 702 HE3 LYS 93 1HE LYS 93 37.725 8.409 -10.292 703 HZ1 LYS 93 3HZ LYS 93 37.196 6.149 -9.703 704 HZ2 LYS 93 1HZ LYS 93 37.442 5.624 -11.289 705 HZ3 LYS 93 2HZ LYS 93 36.152 6.656 -10.933 706 HA PRO 94 HA PRO 94 35.518 14.016 -13.142 707 HB2 PRO 94 2HB PRO 94 32.991 13.010 -12.034 708 HB3 PRO 94 1HB PRO 94 33.255 14.197 -13.314 709 HG2 PRO 94 2HG PRO 94 32.265 11.731 -13.815 710 HG3 PRO 94 1HG PRO 94 33.293 12.594 -14.974 711 HD2 PRO 94 2HD PRO 94 34.029 10.400 -13.057 712 HD3 PRO 94 1HD PRO 94 34.511 10.622 -14.754 713 H ILE 95 H ILE 95 36.904 14.357 -11.430 714 HA ILE 95 HA ILE 95 36.633 12.962 -8.927 715 HB ILE 95 HB ILE 95 38.232 15.467 -9.540 716 HG12 ILE 95 2HG1 ILE 95 39.086 12.553 -9.479 717 HG13 ILE 95 1HG1 ILE 95 38.920 13.544 -10.924 718 HG21 ILE 95 1HG2 ILE 95 37.835 15.237 -7.153 719 HG22 ILE 95 2HG2 ILE 95 39.521 14.876 -7.517 720 HG23 ILE 95 3HG2 ILE 95 38.387 13.562 -7.195 721 HD11 ILE 95 3HD1 ILE 95 40.714 15.006 -10.098 722 HD12 ILE 95 1HD1 ILE 95 41.239 13.336 -10.310 723 HD13 ILE 95 2HD1 ILE 95 40.900 13.955 -8.694 724 H LEU 96 H LEU 96 34.387 13.377 -8.511 725 HA LEU 96 HA LEU 96 33.374 16.049 -8.308 726 HB2 LEU 96 2HB LEU 96 32.008 14.086 -8.983 727 HB3 LEU 96 1HB LEU 96 32.138 13.467 -7.347 728 HG LEU 96 HG LEU 96 30.937 15.480 -6.516 729 HD11 LEU 96 1HD1 LEU 96 30.586 16.110 -9.450 730 HD12 LEU 96 2HD1 LEU 96 31.529 17.040 -8.286 731 HD13 LEU 96 3HD1 LEU 96 29.779 16.931 -8.112 732 HD21 LEU 96 3HD2 LEU 96 28.722 14.829 -7.347 733 HD22 LEU 96 1HD2 LEU 96 29.709 13.422 -6.954 734 HD23 LEU 96 2HD2 LEU 96 29.479 13.896 -8.638 735 H GLU 97 H GLU 97 34.628 17.119 -6.769 736 HA GLU 97 HA GLU 97 34.426 16.199 -3.983 737 HB2 GLU 97 2HB GLU 97 36.673 16.779 -4.706 738 HB3 GLU 97 1HB GLU 97 36.130 18.359 -5.248 739 HG2 GLU 97 2HG GLU 97 37.308 18.560 -3.150 740 HG3 GLU 97 1HG GLU 97 35.611 18.976 -2.930 Start of MODEL 13 1 H1 MET 1 1H MET 1 -30.236 -11.472 25.842 2 H2 MET 1 2H MET 1 -30.344 -9.822 25.493 3 H3 MET 1 3H MET 1 -28.972 -10.432 26.267 4 HA MET 1 HA MET 1 -28.531 -9.966 23.951 5 HB2 MET 1 2HB MET 1 -27.216 -11.696 24.953 6 HB3 MET 1 1HB MET 1 -28.515 -12.870 24.786 7 HG2 MET 1 2HG MET 1 -26.639 -13.116 23.151 8 HG3 MET 1 1HG MET 1 -28.242 -12.973 22.430 9 HE1 MET 1 3HE MET 1 -27.256 -12.415 20.065 10 HE2 MET 1 1HE MET 1 -25.622 -12.603 20.706 11 HE3 MET 1 2HE MET 1 -26.043 -11.169 19.768 12 H GLY 2 H GLY 2 -29.913 -9.322 22.408 13 HA2 GLY 2 2HA GLY 2 -31.148 -11.392 20.769 14 HA3 GLY 2 1HA GLY 2 -32.265 -10.237 21.480 15 H ASN 3 H ASN 3 -29.029 -9.370 20.459 16 HA ASN 3 HA ASN 3 -29.986 -7.183 18.913 17 HB2 ASN 3 2HB ASN 3 -27.194 -8.354 19.013 18 HB3 ASN 3 1HB ASN 3 -27.629 -6.754 18.416 19 HD21 ASN 3 1HD2 ASN 3 -25.849 -7.573 20.599 20 HD22 ASN 3 2HD2 ASN 3 -26.435 -6.761 22.006 21 H GLY 4 H GLY 4 -31.033 -7.534 17.035 22 HA2 GLY 4 2HA GLY 4 -30.368 -9.744 15.287 23 HA3 GLY 4 1HA GLY 4 -31.606 -8.531 15.014 24 H GLU 5 H GLU 5 -28.041 -8.508 15.317 25 HA GLU 5 HA GLU 5 -27.929 -6.736 12.960 26 HB2 GLU 5 2HB GLU 5 -25.904 -7.219 15.158 27 HB3 GLU 5 1HB GLU 5 -25.630 -6.180 13.765 28 HG2 GLU 5 2HG GLU 5 -27.716 -5.785 15.910 29 HG3 GLU 5 1HG GLU 5 -26.223 -4.868 15.715 30 H THR 6 H THR 6 -26.593 -7.195 11.217 31 HA THR 6 HA THR 6 -25.953 -10.041 10.925 32 HB THR 6 HB THR 6 -27.316 -9.021 9.162 33 HG1 THR 6 HG1 THR 6 -26.266 -10.584 8.159 34 HG21 THR 6 3HG2 THR 6 -24.887 -7.293 8.626 35 HG22 THR 6 1HG2 THR 6 -26.452 -6.736 9.224 36 HG23 THR 6 2HG2 THR 6 -26.315 -7.397 7.595 37 H SER 7 H SER 7 -23.993 -10.474 9.412 38 HA SER 7 HA SER 7 -21.663 -9.341 10.767 39 HB2 SER 7 2HB SER 7 -21.885 -11.656 8.822 40 HB3 SER 7 1HB SER 7 -20.406 -11.165 9.646 41 HG SER 7 HG SER 7 -21.847 -11.447 11.629 42 H ASP 8 H ASP 8 -20.486 -7.750 9.912 43 HA ASP 8 HA ASP 8 -20.897 -6.800 7.247 44 HB2 ASP 8 2HB ASP 8 -20.360 -5.156 8.873 45 HB3 ASP 8 1HB ASP 8 -18.954 -6.056 9.432 46 H LEU 9 H LEU 9 -19.587 -6.910 5.478 47 HA LEU 9 HA LEU 9 -17.645 -9.070 5.394 48 HB2 LEU 9 2HB LEU 9 -18.644 -7.223 3.214 49 HB3 LEU 9 1HB LEU 9 -17.637 -8.640 2.970 50 HG LEU 9 HG LEU 9 -20.466 -8.671 4.045 51 HD11 LEU 9 1HD1 LEU 9 -21.054 -9.712 1.914 52 HD12 LEU 9 2HD1 LEU 9 -19.398 -9.501 1.348 53 HD13 LEU 9 3HD1 LEU 9 -20.403 -8.091 1.680 54 HD21 LEU 9 3HD2 LEU 9 -20.303 -11.108 3.812 55 HD22 LEU 9 1HD2 LEU 9 -19.123 -10.484 4.966 56 HD23 LEU 9 2HD2 LEU 9 -18.609 -10.948 3.344 57 H GLU 10 H GLU 10 -15.528 -8.779 5.575 58 HA GLU 10 HA GLU 10 -14.330 -6.296 6.102 59 HB2 GLU 10 2HB GLU 10 -12.159 -7.533 5.859 60 HB3 GLU 10 1HB GLU 10 -13.296 -8.269 6.976 61 HG2 GLU 10 2HG GLU 10 -13.335 -9.247 4.170 62 HG3 GLU 10 1HG GLU 10 -11.936 -9.669 5.151 63 HA PRO 11 HA PRO 11 -13.693 -4.679 2.062 64 HB2 PRO 11 2HB PRO 11 -11.765 -2.854 2.523 65 HB3 PRO 11 1HB PRO 11 -13.393 -2.679 3.189 66 HG2 PRO 11 2HG PRO 11 -10.896 -3.659 4.526 67 HG3 PRO 11 1HG PRO 11 -12.146 -2.566 5.152 68 HD2 PRO 11 2HD PRO 11 -12.009 -5.245 5.749 69 HD3 PRO 11 1HD PRO 11 -13.509 -4.301 5.781 70 H LYS 12 H LYS 12 -12.435 -4.904 0.229 71 HA LYS 12 HA LYS 12 -10.226 -6.769 0.376 72 HB2 LYS 12 2HB LYS 12 -11.901 -7.020 -1.387 73 HB3 LYS 12 1HB LYS 12 -11.533 -5.415 -1.999 74 HG2 LYS 12 2HG LYS 12 -10.527 -7.193 -3.367 75 HG3 LYS 12 1HG LYS 12 -9.311 -6.129 -2.657 76 HD2 LYS 12 2HD LYS 12 -8.847 -7.784 -0.920 77 HD3 LYS 12 1HD LYS 12 -10.113 -8.835 -1.561 78 HE2 LYS 12 2HE LYS 12 -7.656 -7.972 -3.095 79 HE3 LYS 12 1HE LYS 12 -7.820 -9.508 -2.245 80 HZ1 LYS 12 3HZ LYS 12 -9.545 -8.595 -4.482 81 HZ2 LYS 12 1HZ LYS 12 -9.668 -10.079 -3.680 82 HZ3 LYS 12 2HZ LYS 12 -8.295 -9.724 -4.602 83 H LEU 13 H LEU 13 -8.372 -5.883 1.102 84 HA LEU 13 HA LEU 13 -7.460 -3.291 0.133 85 HB2 LEU 13 2HB LEU 13 -7.170 -3.863 2.499 86 HB3 LEU 13 1HB LEU 13 -6.208 -5.261 2.057 87 HG LEU 13 HG LEU 13 -4.472 -3.776 1.126 88 HD11 LEU 13 1HD1 LEU 13 -4.561 -1.371 1.524 89 HD12 LEU 13 2HD1 LEU 13 -6.189 -1.533 2.185 90 HD13 LEU 13 3HD1 LEU 13 -5.885 -1.896 0.486 91 HD21 LEU 13 3HD2 LEU 13 -5.230 -3.116 3.977 92 HD22 LEU 13 1HD2 LEU 13 -3.639 -2.896 3.249 93 HD23 LEU 13 2HD2 LEU 13 -4.298 -4.519 3.452 94 H THR 14 H THR 14 -6.677 -3.325 -1.889 95 HA THR 14 HA THR 14 -5.154 -5.593 -2.900 96 HB THR 14 HB THR 14 -5.899 -2.998 -4.288 97 HG1 THR 14 HG1 THR 14 -7.084 -5.405 -5.030 98 HG21 THR 14 3HG2 THR 14 -5.359 -4.210 -6.360 99 HG22 THR 14 1HG2 THR 14 -4.830 -5.600 -5.411 100 HG23 THR 14 2HG2 THR 14 -3.949 -4.074 -5.310 101 H VAL 15 H VAL 15 -3.070 -5.707 -2.377 102 HA VAL 15 HA VAL 15 -1.376 -3.308 -2.664 103 HB VAL 15 HB VAL 15 -1.144 -5.376 -0.452 104 HG11 VAL 15 1HG1 VAL 15 0.595 -2.964 -1.018 105 HG12 VAL 15 2HG1 VAL 15 1.066 -4.652 -1.222 106 HG13 VAL 15 3HG1 VAL 15 0.724 -4.022 0.388 107 HG21 VAL 15 3HG2 VAL 15 -2.940 -3.787 -0.038 108 HG22 VAL 15 1HG2 VAL 15 -1.844 -2.437 -0.342 109 HG23 VAL 15 2HG2 VAL 15 -1.592 -3.482 1.057 110 HA PRO 16 HA PRO 16 0.794 -6.170 -5.360 111 HB2 PRO 16 2HB PRO 16 2.885 -4.536 -5.990 112 HB3 PRO 16 1HB PRO 16 1.283 -4.380 -6.713 113 HG2 PRO 16 2HG PRO 16 2.521 -2.802 -4.497 114 HG3 PRO 16 1HG PRO 16 1.506 -2.244 -5.840 115 HD2 PRO 16 2HD PRO 16 0.562 -2.627 -3.310 116 HD3 PRO 16 1HD PRO 16 -0.440 -2.805 -4.757 117 H VAL 17 H VAL 17 2.350 -7.692 -5.030 118 HA VAL 17 HA VAL 17 3.430 -7.969 -2.436 119 HB VAL 17 HB VAL 17 2.838 -9.893 -3.847 120 HG11 VAL 17 1HG1 VAL 17 5.259 -9.125 -5.479 121 HG12 VAL 17 2HG1 VAL 17 3.576 -9.085 -6.005 122 HG13 VAL 17 3HG1 VAL 17 4.351 -10.629 -5.647 123 HG21 VAL 17 3HG2 VAL 17 4.773 -11.313 -3.320 124 HG22 VAL 17 1HG2 VAL 17 4.360 -10.243 -1.980 125 HG23 VAL 17 2HG2 VAL 17 5.743 -9.872 -3.010 126 H GLY 18 H GLY 18 4.870 -6.818 -5.458 127 HA2 GLY 18 2HA GLY 18 7.097 -5.681 -4.006 128 HA3 GLY 18 1HA GLY 18 7.553 -7.040 -5.016 129 H ALA 19 H ALA 19 8.598 -4.483 -5.347 130 HA ALA 19 HA ALA 19 7.855 -3.984 -8.117 131 HB1 ALA 19 3HB ALA 19 7.776 -1.754 -6.072 132 HB2 ALA 19 1HB ALA 19 6.372 -2.476 -6.860 133 HB3 ALA 19 2HB ALA 19 7.555 -1.579 -7.813 134 H THR 20 H THR 20 9.471 -2.662 -9.254 135 HA THR 20 HA THR 20 12.043 -2.381 -7.826 136 HB THR 20 HB THR 20 11.750 -3.545 -10.614 137 HG1 THR 20 HG1 THR 20 11.186 -5.047 -8.968 138 HG21 THR 20 3HG2 THR 20 14.174 -3.956 -10.451 139 HG22 THR 20 1HG2 THR 20 14.206 -3.126 -8.895 140 HG23 THR 20 2HG2 THR 20 13.801 -2.235 -10.362 141 H ILE 21 H ILE 21 12.911 -0.413 -8.072 142 HA ILE 21 HA ILE 21 12.340 1.121 -10.531 143 HB ILE 21 HB ILE 21 12.294 3.216 -9.188 144 HG12 ILE 21 2HG1 ILE 21 12.168 1.317 -6.824 145 HG13 ILE 21 1HG1 ILE 21 13.484 2.429 -7.190 146 HG21 ILE 21 1HG2 ILE 21 10.158 1.208 -8.450 147 HG22 ILE 21 2HG2 ILE 21 10.215 2.156 -9.935 148 HG23 ILE 21 3HG2 ILE 21 10.000 2.963 -8.383 149 HD11 ILE 21 3HD1 ILE 21 12.087 3.299 -5.420 150 HD12 ILE 21 1HD1 ILE 21 10.663 3.187 -6.454 151 HD13 ILE 21 2HD1 ILE 21 11.957 4.318 -6.853 152 H HIS 22 H HIS 22 13.906 3.150 -10.573 153 HA HIS 22 HA HIS 22 16.607 2.169 -9.871 154 HB2 HIS 22 2HB HIS 22 15.714 3.596 -12.386 155 HB3 HIS 22 1HB HIS 22 17.399 3.302 -11.964 156 HD1 HIS 22 HD1 HIS 22 14.409 1.664 -13.410 157 HD2 HIS 22 HD2 HIS 22 18.186 0.555 -12.069 158 HE1 HIS 22 HE1 HIS 22 14.781 -0.655 -14.288 159 HE2 HIS 22 HE2 HIS 22 17.128 -1.242 -13.601 160 H VAL 23 H VAL 23 18.293 3.948 -9.953 161 HA VAL 23 HA VAL 23 17.658 6.058 -8.199 162 HB VAL 23 HB VAL 23 20.047 5.731 -10.036 163 HG11 VAL 23 1HG1 VAL 23 19.655 7.666 -7.743 164 HG12 VAL 23 2HG1 VAL 23 19.818 8.084 -9.450 165 HG13 VAL 23 3HG1 VAL 23 21.180 7.375 -8.581 166 HG21 VAL 23 3HG2 VAL 23 21.197 4.969 -8.009 167 HG22 VAL 23 1HG2 VAL 23 19.805 3.949 -8.375 168 HG23 VAL 23 2HG2 VAL 23 19.704 5.150 -7.086 169 H GLY 24 H GLY 24 16.656 7.930 -8.554 170 HA2 GLY 24 2HA GLY 24 16.201 9.951 -9.710 171 HA3 GLY 24 1HA GLY 24 16.772 9.213 -11.195 172 H ASP 25 H ASP 25 14.804 6.987 -9.765 173 HA ASP 25 HA ASP 25 12.675 7.410 -11.648 174 HB2 ASP 25 2HB ASP 25 13.733 5.213 -10.385 175 HB3 ASP 25 1HB ASP 25 12.244 5.444 -9.479 176 H SER 26 H SER 26 10.327 7.001 -10.676 177 HA SER 26 HA SER 26 9.915 8.617 -8.238 178 HB2 SER 26 2HB SER 26 8.005 9.778 -9.283 179 HB3 SER 26 1HB SER 26 9.498 10.105 -10.158 180 HG SER 26 HG SER 26 7.733 8.030 -10.939 181 H PHE 27 H PHE 27 8.570 7.654 -6.809 182 HA PHE 27 HA PHE 27 6.803 5.494 -7.784 183 HB2 PHE 27 2HB PHE 27 8.892 4.600 -6.744 184 HB3 PHE 27 1HB PHE 27 8.453 5.406 -5.242 185 HD1 PHE 27 HD2 PHE 27 7.544 2.714 -7.583 186 HD2 PHE 27 HD1 PHE 27 6.794 4.485 -3.781 187 HE1 PHE 27 HE2 PHE 27 6.228 0.743 -6.927 188 HE2 PHE 27 HE1 PHE 27 5.474 2.516 -3.122 189 HZ PHE 27 HZ PHE 27 5.188 0.644 -4.696 190 H VAL 28 H VAL 28 4.770 5.467 -6.989 191 HA VAL 28 HA VAL 28 4.110 7.287 -4.746 192 HB VAL 28 HB VAL 28 2.412 6.779 -7.203 193 HG11 VAL 28 1HG1 VAL 28 1.915 8.576 -4.821 194 HG12 VAL 28 2HG1 VAL 28 1.035 7.099 -5.220 195 HG13 VAL 28 3HG1 VAL 28 0.921 8.505 -6.278 196 HG21 VAL 28 3HG2 VAL 28 3.957 9.232 -6.336 197 HG22 VAL 28 1HG2 VAL 28 2.818 9.180 -7.683 198 HG23 VAL 28 2HG2 VAL 28 4.292 8.214 -7.737 199 HA PRO 29 HA PRO 29 2.781 3.207 -3.189 200 HB2 PRO 29 2HB PRO 29 2.266 4.153 -0.641 201 HB3 PRO 29 1HB PRO 29 3.840 3.589 -1.209 202 HG2 PRO 29 2HG PRO 29 2.797 6.388 -0.991 203 HG3 PRO 29 1HG PRO 29 4.406 5.755 -0.585 204 HD2 PRO 29 2HD PRO 29 3.969 7.098 -2.870 205 HD3 PRO 29 1HD PRO 29 5.092 5.723 -2.808 206 H MET 30 H MET 30 1.013 6.277 -2.705 207 HA MET 30 HA MET 30 -1.442 4.921 -2.018 208 HB2 MET 30 2HB MET 30 -0.767 7.812 -2.546 209 HB3 MET 30 1HB MET 30 -2.414 7.278 -2.238 210 HG2 MET 30 2HG MET 30 -0.304 6.506 -0.283 211 HG3 MET 30 1HG MET 30 -0.849 8.180 -0.310 212 HE1 MET 30 3HE MET 30 -3.015 4.885 -1.016 213 HE2 MET 30 1HE MET 30 -3.641 4.590 0.604 214 HE3 MET 30 2HE MET 30 -1.915 4.422 0.280 215 H ALA 31 H ALA 31 0.076 5.327 -4.938 216 HA ALA 31 HA ALA 31 -2.412 5.450 -6.488 217 HB1 ALA 31 3HB ALA 31 -0.504 6.740 -7.309 218 HB2 ALA 31 1HB ALA 31 -0.958 5.481 -8.456 219 HB3 ALA 31 2HB ALA 31 0.457 5.266 -7.426 220 H GLU 32 H GLU 32 0.355 3.264 -5.993 221 HA GLU 32 HA GLU 32 -0.648 1.110 -7.517 222 HB2 GLU 32 2HB GLU 32 1.401 1.216 -5.299 223 HB3 GLU 32 1HB GLU 32 1.052 -0.243 -6.216 224 HG2 GLU 32 2HG GLU 32 2.041 2.352 -7.392 225 HG3 GLU 32 1HG GLU 32 3.046 0.949 -7.032 226 H VAL 33 H VAL 33 -1.004 1.905 -4.084 227 HA VAL 33 HA VAL 33 -2.337 -0.618 -3.523 228 HB VAL 33 HB VAL 33 -1.797 1.757 -1.726 229 HG11 VAL 33 1HG1 VAL 33 -3.728 0.489 -0.936 230 HG12 VAL 33 2HG1 VAL 33 -2.345 0.241 0.129 231 HG13 VAL 33 3HG1 VAL 33 -2.801 -1.008 -1.030 232 HG21 VAL 33 3HG2 VAL 33 -0.408 -0.919 -1.953 233 HG22 VAL 33 1HG2 VAL 33 -0.030 0.348 -0.784 234 HG23 VAL 33 2HG2 VAL 33 0.232 0.630 -2.505 235 H LEU 34 H LEU 34 -4.478 -0.890 -2.973 236 HA LEU 34 HA LEU 34 -6.340 1.368 -3.250 237 HB2 LEU 34 2HB LEU 34 -6.059 0.343 -5.489 238 HB3 LEU 34 1HB LEU 34 -6.521 -1.211 -4.827 239 HG LEU 34 HG LEU 34 -8.770 -0.219 -4.275 240 HD11 LEU 34 1HD1 LEU 34 -7.772 2.060 -5.985 241 HD12 LEU 34 2HD1 LEU 34 -8.125 2.131 -4.257 242 HD13 LEU 34 3HD1 LEU 34 -9.427 1.841 -5.410 243 HD21 LEU 34 3HD2 LEU 34 -8.473 -1.630 -6.226 244 HD22 LEU 34 1HD2 LEU 34 -7.930 -0.247 -7.177 245 HD23 LEU 34 2HD2 LEU 34 -9.593 -0.319 -6.593 246 H ALA 35 H ALA 35 -8.400 1.002 -2.215 247 HA ALA 35 HA ALA 35 -8.780 -1.614 -0.920 248 HB1 ALA 35 3HB ALA 35 -7.751 -0.209 0.784 249 HB2 ALA 35 1HB ALA 35 -9.426 -0.567 1.201 250 HB3 ALA 35 2HB ALA 35 -8.998 1.016 0.550 251 H ILE 36 H ILE 36 -10.727 -2.381 -1.368 252 HA ILE 36 HA ILE 36 -12.959 -0.501 -1.867 253 HB ILE 36 HB ILE 36 -12.268 -2.983 -3.460 254 HG12 ILE 36 2HG1 ILE 36 -10.934 -0.998 -4.063 255 HG13 ILE 36 1HG1 ILE 36 -12.037 -1.445 -5.359 256 HG21 ILE 36 1HG2 ILE 36 -14.683 -2.833 -3.145 257 HG22 ILE 36 2HG2 ILE 36 -14.245 -2.504 -4.820 258 HG23 ILE 36 3HG2 ILE 36 -14.671 -1.174 -3.742 259 HD11 ILE 36 3HD1 ILE 36 -11.945 0.960 -5.060 260 HD12 ILE 36 1HD1 ILE 36 -12.454 0.787 -3.382 261 HD13 ILE 36 2HD1 ILE 36 -13.555 0.346 -4.688 262 H ASP 37 H ASP 37 -14.562 -0.852 -0.446 263 HA ASP 37 HA ASP 37 -15.020 -3.573 0.577 264 HB2 ASP 37 2HB ASP 37 -14.751 -1.796 2.267 265 HB3 ASP 37 1HB ASP 37 -16.110 -0.922 1.564 266 H LYS 38 H LYS 38 -17.133 -4.493 0.533 267 HA LYS 38 HA LYS 38 -18.455 -4.077 -1.939 268 HB2 LYS 38 2HB LYS 38 -18.301 -6.277 -0.792 269 HB3 LYS 38 1HB LYS 38 -19.418 -5.689 0.434 270 HG2 LYS 38 2HG LYS 38 -21.158 -5.420 -1.252 271 HG3 LYS 38 1HG LYS 38 -20.040 -5.951 -2.509 272 HD2 LYS 38 2HD LYS 38 -19.850 -8.143 -1.372 273 HD3 LYS 38 1HD LYS 38 -21.021 -7.598 -0.169 274 HE2 LYS 38 2HE LYS 38 -22.707 -7.329 -1.927 275 HE3 LYS 38 1HE LYS 38 -21.536 -7.854 -3.138 276 HZ1 LYS 38 3HZ LYS 38 -22.960 -9.668 -2.527 277 HZ2 LYS 38 1HZ LYS 38 -22.586 -9.483 -0.889 278 HZ3 LYS 38 2HZ LYS 38 -21.397 -9.991 -1.980 279 H GLU 39 H GLU 39 -19.648 -3.523 1.410 280 HA GLU 39 HA GLU 39 -22.028 -2.268 0.311 281 HB2 GLU 39 2HB GLU 39 -21.825 -1.908 3.182 282 HB3 GLU 39 1HB GLU 39 -23.051 -2.738 2.240 283 HG2 GLU 39 2HG GLU 39 -22.219 -4.341 3.712 284 HG3 GLU 39 1HG GLU 39 -21.442 -4.709 2.172 285 H ASP 40 H ASP 40 -19.302 -1.162 2.368 286 HA ASP 40 HA ASP 40 -20.393 1.473 2.602 287 HB2 ASP 40 2HB ASP 40 -18.807 0.250 4.226 288 HB3 ASP 40 1HB ASP 40 -17.512 0.764 3.148 289 H GLY 41 H GLY 41 -18.030 -0.010 0.451 290 HA2 GLY 41 2HA GLY 41 -17.886 0.889 -1.803 291 HA3 GLY 41 1HA GLY 41 -18.043 2.498 -1.122 292 H ASP 42 H ASP 42 -16.178 3.359 -1.955 293 HA ASP 42 HA ASP 42 -13.664 2.018 -1.943 294 HB2 ASP 42 2HB ASP 42 -14.370 3.840 -3.542 295 HB3 ASP 42 1HB ASP 42 -14.141 4.993 -2.234 296 H LEU 43 H LEU 43 -12.301 1.765 -0.286 297 HA LEU 43 HA LEU 43 -12.361 3.712 1.937 298 HB2 LEU 43 2HB LEU 43 -11.746 0.750 2.034 299 HB3 LEU 43 1HB LEU 43 -11.593 1.845 3.396 300 HG LEU 43 HG LEU 43 -14.169 1.129 1.976 301 HD11 LEU 43 1HD1 LEU 43 -14.767 0.024 4.062 302 HD12 LEU 43 2HD1 LEU 43 -13.195 0.436 4.748 303 HD13 LEU 43 3HD1 LEU 43 -13.297 -0.673 3.381 304 HD21 LEU 43 3HD2 LEU 43 -13.698 2.936 4.349 305 HD22 LEU 43 1HD2 LEU 43 -15.275 2.431 3.739 306 HD23 LEU 43 2HD2 LEU 43 -14.224 3.436 2.742 307 H THR 44 H THR 44 -10.697 3.529 -0.600 308 HA THR 44 HA THR 44 -8.045 2.798 0.015 309 HB THR 44 HB THR 44 -8.908 4.927 -1.958 310 HG1 THR 44 HG1 THR 44 -9.937 3.238 -2.772 311 HG21 THR 44 3HG2 THR 44 -6.456 3.154 -1.868 312 HG22 THR 44 1HG2 THR 44 -6.491 4.893 -1.569 313 HG23 THR 44 2HG2 THR 44 -6.866 4.265 -3.174 314 H SER 45 H SER 45 -9.748 5.880 0.355 315 HA SER 45 HA SER 45 -7.485 7.371 1.249 316 HB2 SER 45 2HB SER 45 -10.447 7.921 1.605 317 HB3 SER 45 1HB SER 45 -9.155 9.073 1.949 318 HG SER 45 HG SER 45 -10.351 8.650 -0.360 319 H LYS 46 H LYS 46 -9.291 4.966 2.764 320 HA LYS 46 HA LYS 46 -8.901 5.935 5.482 321 HB2 LYS 46 2HB LYS 46 -9.891 3.245 4.493 322 HB3 LYS 46 1HB LYS 46 -9.936 3.804 6.159 323 HG2 LYS 46 2HG LYS 46 -11.383 5.168 3.897 324 HG3 LYS 46 1HG LYS 46 -12.112 3.940 4.931 325 HD2 LYS 46 2HD LYS 46 -10.844 6.397 6.114 326 HD3 LYS 46 1HD LYS 46 -12.485 6.449 5.476 327 HE2 LYS 46 2HE LYS 46 -12.607 6.051 7.829 328 HE3 LYS 46 1HE LYS 46 -13.078 4.570 6.999 329 HZ1 LYS 46 3HZ LYS 46 -10.371 5.071 8.108 330 HZ2 LYS 46 1HZ LYS 46 -10.960 3.612 7.492 331 HZ3 LYS 46 2HZ LYS 46 -11.593 4.236 8.928 332 H ILE 47 H ILE 47 -7.005 4.401 3.173 333 HA ILE 47 HA ILE 47 -5.563 2.563 4.841 334 HB ILE 47 HB ILE 47 -4.748 3.756 2.180 335 HG12 ILE 47 2HG1 ILE 47 -6.092 1.096 2.751 336 HG13 ILE 47 1HG1 ILE 47 -6.907 2.516 2.099 337 HG21 ILE 47 1HG2 ILE 47 -3.249 1.806 2.016 338 HG22 ILE 47 2HG2 ILE 47 -3.718 1.322 3.646 339 HG23 ILE 47 3HG2 ILE 47 -2.849 2.836 3.391 340 HD11 ILE 47 3HD1 ILE 47 -5.473 2.435 0.126 341 HD12 ILE 47 1HD1 ILE 47 -6.362 0.929 0.348 342 HD13 ILE 47 2HD1 ILE 47 -4.657 1.014 0.780 343 H LYS 48 H LYS 48 -4.256 3.228 6.448 344 HA LYS 48 HA LYS 48 -2.769 5.728 6.219 345 HB2 LYS 48 2HB LYS 48 -3.810 5.223 8.361 346 HB3 LYS 48 1HB LYS 48 -2.935 3.701 8.464 347 HG2 LYS 48 2HG LYS 48 -0.914 4.744 8.945 348 HG3 LYS 48 1HG LYS 48 -1.432 6.287 8.263 349 HD2 LYS 48 2HD LYS 48 -1.311 6.340 10.726 350 HD3 LYS 48 1HD LYS 48 -2.939 6.650 10.127 351 HE2 LYS 48 2HE LYS 48 -3.447 4.219 10.540 352 HE3 LYS 48 1HE LYS 48 -1.881 4.100 11.342 353 HZ1 LYS 48 3HZ LYS 48 -2.619 5.838 12.885 354 HZ2 LYS 48 1HZ LYS 48 -3.610 4.470 12.952 355 HZ3 LYS 48 2HZ LYS 48 -4.135 5.859 12.142 356 H VAL 49 H VAL 49 -0.801 5.815 5.379 357 HA VAL 49 HA VAL 49 0.625 3.316 4.794 358 HB VAL 49 HB VAL 49 1.128 6.098 3.704 359 HG11 VAL 49 1HG1 VAL 49 2.147 3.403 2.791 360 HG12 VAL 49 2HG1 VAL 49 3.095 4.679 3.557 361 HG13 VAL 49 3HG1 VAL 49 2.407 4.933 1.954 362 HG21 VAL 49 3HG2 VAL 49 -1.096 5.295 3.079 363 HG22 VAL 49 1HG2 VAL 49 -0.395 3.800 2.459 364 HG23 VAL 49 2HG2 VAL 49 -0.023 5.339 1.682 365 H ASP 50 H ASP 50 2.619 2.823 5.578 366 HA ASP 50 HA ASP 50 4.155 4.924 6.968 367 HB2 ASP 50 2HB ASP 50 3.024 3.460 8.630 368 HB3 ASP 50 1HB ASP 50 3.845 2.066 7.931 369 H GLY 51 H GLY 51 6.279 5.010 6.472 370 HA2 GLY 51 2HA GLY 51 8.314 3.581 6.010 371 HA3 GLY 51 1HA GLY 51 7.362 2.891 4.705 372 H GLU 52 H GLU 52 9.633 3.784 3.820 373 HA GLU 52 HA GLU 52 8.939 5.945 2.081 374 HB2 GLU 52 2HB GLU 52 9.526 7.243 4.081 375 HB3 GLU 52 1HB GLU 52 11.101 6.463 4.140 376 HG2 GLU 52 2HG GLU 52 11.795 7.533 2.121 377 HG3 GLU 52 1HG GLU 52 10.162 8.125 1.808 378 H VAL 53 H VAL 53 9.989 5.736 0.196 379 HA VAL 53 HA VAL 53 12.258 3.845 0.077 380 HB VAL 53 HB VAL 53 10.335 4.648 -2.125 381 HG11 VAL 53 1HG1 VAL 53 12.496 2.534 -2.086 382 HG12 VAL 53 2HG1 VAL 53 12.519 4.036 -3.012 383 HG13 VAL 53 3HG1 VAL 53 11.331 2.788 -3.385 384 HG21 VAL 53 3HG2 VAL 53 9.410 2.385 -1.880 385 HG22 VAL 53 1HG2 VAL 53 9.226 3.320 -0.396 386 HG23 VAL 53 2HG2 VAL 53 10.487 2.090 -0.514 387 H ASP 54 H ASP 54 14.205 4.522 -0.635 388 HA ASP 54 HA ASP 54 14.581 7.298 -1.392 389 HB2 ASP 54 2HB ASP 54 16.554 5.037 -0.989 390 HB3 ASP 54 1HB ASP 54 17.007 6.700 -1.358 391 H THR 55 H THR 55 15.249 8.060 -3.366 392 HA THR 55 HA THR 55 15.360 6.115 -5.589 393 HB THR 55 HB THR 55 14.735 7.961 -7.090 394 HG1 THR 55 HG1 THR 55 13.951 9.938 -5.973 395 HG21 THR 55 3HG2 THR 55 12.947 6.591 -6.133 396 HG22 THR 55 1HG2 THR 55 12.410 8.259 -6.333 397 HG23 THR 55 2HG2 THR 55 12.855 7.661 -4.734 398 H THR 56 H THR 56 17.420 7.813 -3.684 399 HA THR 56 HA THR 56 19.298 8.475 -5.868 400 HB THR 56 HB THR 56 20.587 9.741 -4.280 401 HG1 THR 56 HG1 THR 56 18.979 9.539 -2.083 402 HG21 THR 56 3HG2 THR 56 18.638 10.896 -5.191 403 HG22 THR 56 1HG2 THR 56 18.946 11.418 -3.535 404 HG23 THR 56 2HG2 THR 56 17.639 10.283 -3.872 405 H LYS 57 H LYS 57 18.848 6.317 -3.158 406 HA LYS 57 HA LYS 57 21.486 5.096 -3.687 407 HB2 LYS 57 2HB LYS 57 21.402 6.123 -1.459 408 HB3 LYS 57 1HB LYS 57 19.961 5.193 -1.070 409 HG2 LYS 57 2HG LYS 57 21.275 3.112 -1.301 410 HG3 LYS 57 1HG LYS 57 22.715 4.078 -1.608 411 HD2 LYS 57 2HD LYS 57 21.062 4.221 0.922 412 HD3 LYS 57 1HD LYS 57 22.523 3.253 0.740 413 HE2 LYS 57 2HE LYS 57 23.189 5.247 1.822 414 HE3 LYS 57 1HE LYS 57 23.729 5.398 0.153 415 HZ1 LYS 57 3HZ LYS 57 21.188 6.571 1.123 416 HZ2 LYS 57 1HZ LYS 57 22.004 6.911 -0.319 417 HZ3 LYS 57 2HZ LYS 57 22.655 7.409 1.159 418 H ALA 58 H ALA 58 21.530 2.978 -4.202 419 HA ALA 58 HA ALA 58 19.123 1.572 -4.769 420 HB1 ALA 58 3HB ALA 58 20.580 -0.284 -5.404 421 HB2 ALA 58 1HB ALA 58 21.957 0.534 -4.663 422 HB3 ALA 58 2HB ALA 58 21.164 1.239 -6.072 423 H GLY 59 H GLY 59 18.154 -0.164 -3.720 424 HA2 GLY 59 2HA GLY 59 19.037 -1.801 -1.735 425 HA3 GLY 59 1HA GLY 59 18.608 -0.338 -0.864 426 H THR 60 H THR 60 17.395 -2.868 -0.470 427 HA THR 60 HA THR 60 14.749 -2.635 -1.739 428 HB THR 60 HB THR 60 15.901 -4.887 -0.066 429 HG1 THR 60 HG1 THR 60 15.273 -5.284 -2.744 430 HG21 THR 60 3HG2 THR 60 13.962 -6.181 -0.843 431 HG22 THR 60 1HG2 THR 60 13.332 -4.755 -1.662 432 HG23 THR 60 2HG2 THR 60 13.453 -4.779 0.098 433 H TYR 61 H TYR 61 13.091 -1.761 -0.679 434 HA TYR 61 HA TYR 61 13.154 -1.615 2.278 435 HB2 TYR 61 2HB TYR 61 11.934 0.444 0.416 436 HB3 TYR 61 1HB TYR 61 12.094 0.563 2.166 437 HD1 TYR 61 HD1 TYR 61 14.422 0.755 3.162 438 HD2 TYR 61 HD2 TYR 61 13.672 1.146 -1.015 439 HE1 TYR 61 HE1 TYR 61 16.596 1.873 2.876 440 HE2 TYR 61 HE2 TYR 61 15.841 2.260 -1.309 441 HH TYR 61 HH TYR 61 17.468 3.514 0.018 442 H VAL 62 H VAL 62 11.134 -1.803 3.379 443 HA VAL 62 HA VAL 62 8.947 -2.942 1.738 444 HB VAL 62 HB VAL 62 9.537 -3.496 4.661 445 HG11 VAL 62 1HG1 VAL 62 7.812 -5.217 4.479 446 HG12 VAL 62 2HG1 VAL 62 7.510 -4.758 2.804 447 HG13 VAL 62 3HG1 VAL 62 7.146 -3.626 4.106 448 HG21 VAL 62 3HG2 VAL 62 11.226 -4.503 3.228 449 HG22 VAL 62 1HG2 VAL 62 9.973 -5.226 2.219 450 HG23 VAL 62 2HG2 VAL 62 10.171 -5.749 3.891 451 H LEU 63 H LEU 63 7.090 -1.850 1.665 452 HA LEU 63 HA LEU 63 6.604 0.320 3.598 453 HB2 LEU 63 2HB LEU 63 5.295 -0.216 0.922 454 HB3 LEU 63 1HB LEU 63 5.031 1.195 1.931 455 HG LEU 63 HG LEU 63 7.637 0.462 0.575 456 HD11 LEU 63 1HD1 LEU 63 7.206 2.420 -0.831 457 HD12 LEU 63 2HD1 LEU 63 5.634 2.633 -0.056 458 HD13 LEU 63 3HD1 LEU 63 5.956 1.191 -1.022 459 HD21 LEU 63 3HD2 LEU 63 8.404 2.672 1.314 460 HD22 LEU 63 1HD2 LEU 63 8.021 1.626 2.682 461 HD23 LEU 63 2HD2 LEU 63 6.897 2.898 2.203 462 H THR 64 H THR 64 4.696 0.430 4.800 463 HA THR 64 HA THR 64 3.044 -2.031 4.792 464 HB THR 64 HB THR 64 3.571 -0.147 7.112 465 HG1 THR 64 HG1 THR 64 5.270 -1.365 7.406 466 HG21 THR 64 3HG2 THR 64 1.352 -1.191 7.251 467 HG22 THR 64 1HG2 THR 64 2.437 -1.847 8.477 468 HG23 THR 64 2HG2 THR 64 2.080 -2.781 7.024 469 H TYR 65 H TYR 65 0.838 -1.899 4.753 470 HA TYR 65 HA TYR 65 -0.421 0.771 4.694 471 HB2 TYR 65 2HB TYR 65 -1.084 -1.489 2.782 472 HB3 TYR 65 1HB TYR 65 -1.744 0.143 2.759 473 HD1 TYR 65 HD2 TYR 65 -0.297 2.049 2.072 474 HD2 TYR 65 HD1 TYR 65 1.032 -1.990 1.785 475 HE1 TYR 65 HE2 TYR 65 1.502 2.751 0.555 476 HE2 TYR 65 HE1 TYR 65 2.839 -1.292 0.275 477 HH TYR 65 HH TYR 65 3.730 1.933 -0.148 478 H THR 66 H THR 66 -2.058 0.879 6.146 479 HA THR 66 HA THR 66 -3.533 -1.609 6.793 480 HB THR 66 HB THR 66 -2.749 0.582 8.736 481 HG1 THR 66 HG1 THR 66 -1.558 -1.162 9.699 482 HG21 THR 66 3HG2 THR 66 -4.970 -0.311 9.263 483 HG22 THR 66 1HG2 THR 66 -3.783 -0.835 10.458 484 HG23 THR 66 2HG2 THR 66 -4.331 -1.953 9.208 485 H VAL 67 H VAL 67 -5.648 -1.510 6.449 486 HA VAL 67 HA VAL 67 -7.007 1.119 6.471 487 HB VAL 67 HB VAL 67 -6.833 0.174 4.184 488 HG11 VAL 67 1HG1 VAL 67 -8.119 -1.834 3.582 489 HG12 VAL 67 2HG1 VAL 67 -8.482 -2.103 5.288 490 HG13 VAL 67 3HG1 VAL 67 -6.816 -2.195 4.714 491 HG21 VAL 67 3HG2 VAL 67 -8.715 1.627 4.723 492 HG22 VAL 67 1HG2 VAL 67 -9.651 0.242 5.285 493 HG23 VAL 67 2HG2 VAL 67 -9.213 0.379 3.582 494 H THR 68 H THR 68 -9.178 1.159 7.304 495 HA THR 68 HA THR 68 -10.084 -1.302 8.658 496 HB THR 68 HB THR 68 -10.102 1.464 9.893 497 HG1 THR 68 HG1 THR 68 -8.293 -0.552 9.936 498 HG21 THR 68 3HG2 THR 68 -11.084 -1.168 11.024 499 HG22 THR 68 1HG2 THR 68 -12.101 0.190 10.537 500 HG23 THR 68 2HG2 THR 68 -10.994 0.361 11.899 501 H ASP 69 H ASP 69 -12.143 -1.798 8.370 502 HA ASP 69 HA ASP 69 -13.860 -0.262 6.684 503 HB2 ASP 69 2HB ASP 69 -13.752 -2.802 6.880 504 HB3 ASP 69 1HB ASP 69 -14.611 -2.645 8.405 505 H SER 70 H SER 70 -15.891 0.660 7.241 506 HA SER 70 HA SER 70 -15.936 2.242 9.564 507 HB2 SER 70 2HB SER 70 -17.141 2.904 7.552 508 HB3 SER 70 1HB SER 70 -18.208 1.508 7.693 509 HG SER 70 HG SER 70 -18.071 3.814 9.327 510 H LYS 71 H LYS 71 -17.288 -0.948 8.941 511 HA LYS 71 HA LYS 71 -18.814 -0.942 11.420 512 HB2 LYS 71 2HB LYS 71 -18.402 -3.120 9.367 513 HB3 LYS 71 1HB LYS 71 -19.418 -3.280 10.790 514 HG2 LYS 71 2HG LYS 71 -20.933 -2.790 9.103 515 HG3 LYS 71 1HG LYS 71 -20.679 -1.226 9.877 516 HD2 LYS 71 2HD LYS 71 -19.101 -0.600 8.111 517 HD3 LYS 71 1HD LYS 71 -19.313 -2.178 7.353 518 HE2 LYS 71 2HE LYS 71 -21.742 -1.646 7.086 519 HE3 LYS 71 1HE LYS 71 -21.402 -0.024 7.686 520 HZ1 LYS 71 3HZ LYS 71 -21.458 -0.081 5.281 521 HZ2 LYS 71 1HZ LYS 71 -20.236 -1.252 5.245 522 HZ3 LYS 71 2HZ LYS 71 -19.904 0.308 5.820 523 H GLY 72 H GLY 72 -15.607 -1.355 10.787 524 HA2 GLY 72 2HA GLY 72 -14.146 -1.617 12.648 525 HA3 GLY 72 1HA GLY 72 -15.314 -2.685 13.395 526 H HIS 73 H HIS 73 -14.195 -3.106 10.052 527 HA HIS 73 HA HIS 73 -12.654 -5.457 10.958 528 HB2 HIS 73 2HB HIS 73 -14.068 -4.895 8.355 529 HB3 HIS 73 1HB HIS 73 -12.829 -6.141 8.478 530 HD1 HIS 73 HD1 HIS 73 -16.366 -5.445 9.267 531 HD2 HIS 73 HD2 HIS 73 -13.523 -8.331 10.173 532 HE1 HIS 73 HE1 HIS 73 -17.650 -7.359 10.250 533 HE2 HIS 73 HE2 HIS 73 -15.942 -9.173 10.564 534 H GLU 74 H GLU 74 -10.536 -5.135 11.082 535 HA GLU 74 HA GLU 74 -9.301 -3.059 9.398 536 HB2 GLU 74 2HB GLU 74 -8.992 -2.826 11.818 537 HB3 GLU 74 1HB GLU 74 -8.253 -4.423 11.891 538 HG2 GLU 74 2HG GLU 74 -6.427 -3.623 10.445 539 HG3 GLU 74 1HG GLU 74 -7.162 -2.020 10.425 540 H VAL 75 H VAL 75 -7.916 -3.532 7.812 541 HA VAL 75 HA VAL 75 -6.720 -6.236 7.653 542 HB VAL 75 HB VAL 75 -7.786 -4.623 5.312 543 HG11 VAL 75 1HG1 VAL 75 -7.351 -6.659 3.999 544 HG12 VAL 75 2HG1 VAL 75 -6.625 -7.413 5.419 545 HG13 VAL 75 3HG1 VAL 75 -5.872 -5.993 4.691 546 HG21 VAL 75 3HG2 VAL 75 -9.619 -5.493 6.664 547 HG22 VAL 75 1HG2 VAL 75 -8.917 -7.110 6.607 548 HG23 VAL 75 2HG2 VAL 75 -9.519 -6.357 5.130 549 H THR 76 H THR 76 -4.540 -6.285 7.119 550 HA THR 76 HA THR 76 -3.268 -3.774 6.230 551 HB THR 76 HB THR 76 -2.948 -3.836 8.646 552 HG1 THR 76 HG1 THR 76 -1.153 -2.951 7.892 553 HG21 THR 76 3HG2 THR 76 -1.635 -5.627 9.712 554 HG22 THR 76 1HG2 THR 76 -1.618 -6.514 8.187 555 HG23 THR 76 2HG2 THR 76 -3.143 -6.241 9.032 556 H ALA 77 H ALA 77 -1.401 -3.967 5.000 557 HA ALA 77 HA ALA 77 -0.320 -6.604 4.381 558 HB1 ALA 77 3HB ALA 77 -1.582 -4.898 2.230 559 HB2 ALA 77 1HB ALA 77 -2.216 -6.423 2.845 560 HB3 ALA 77 2HB ALA 77 -0.685 -6.393 1.969 561 H LYS 78 H LYS 78 1.614 -6.472 2.927 562 HA LYS 78 HA LYS 78 2.980 -3.855 3.162 563 HB2 LYS 78 2HB LYS 78 4.115 -6.620 3.634 564 HB3 LYS 78 1HB LYS 78 5.107 -5.177 3.468 565 HG2 LYS 78 2HG LYS 78 4.085 -4.204 5.441 566 HG3 LYS 78 1HG LYS 78 2.997 -5.587 5.583 567 HD2 LYS 78 2HD LYS 78 4.860 -7.073 6.008 568 HD3 LYS 78 1HD LYS 78 6.012 -5.768 5.713 569 HE2 LYS 78 2HE LYS 78 3.954 -5.734 7.923 570 HE3 LYS 78 1HE LYS 78 5.613 -6.293 8.133 571 HZ1 LYS 78 3HZ LYS 78 4.883 -3.572 7.201 572 HZ2 LYS 78 1HZ LYS 78 6.428 -4.127 7.606 573 HZ3 LYS 78 2HZ LYS 78 5.252 -3.958 8.803 574 H GLN 79 H GLN 79 4.597 -3.370 1.597 575 HA GLN 79 HA GLN 79 4.593 -5.013 -0.861 576 HB2 GLN 79 2HB GLN 79 3.183 -3.119 -1.345 577 HB3 GLN 79 1HB GLN 79 4.345 -2.003 -0.637 578 HG2 GLN 79 2HG GLN 79 5.946 -2.606 -2.454 579 HG3 GLN 79 1HG GLN 79 4.678 -3.587 -3.182 580 HE21 GLN 79 1HE2 GLN 79 4.045 -0.518 -1.613 581 HE22 GLN 79 2HE2 GLN 79 3.640 0.334 -3.055 582 H THR 80 H THR 80 6.605 -5.567 -1.514 583 HA THR 80 HA THR 80 8.907 -4.277 -0.224 584 HB THR 80 HB THR 80 8.756 -6.816 -1.874 585 HG1 THR 80 HG1 THR 80 8.187 -7.645 -0.020 586 HG21 THR 80 3HG2 THR 80 10.960 -5.774 -2.093 587 HG22 THR 80 1HG2 THR 80 11.051 -7.235 -1.108 588 HG23 THR 80 2HG2 THR 80 11.084 -5.649 -0.337 589 H VAL 81 H VAL 81 9.717 -2.545 -1.275 590 HA VAL 81 HA VAL 81 9.795 -2.564 -4.229 591 HB VAL 81 HB VAL 81 10.094 -0.199 -2.359 592 HG11 VAL 81 1HG1 VAL 81 9.785 -0.316 -5.366 593 HG12 VAL 81 2HG1 VAL 81 11.243 0.137 -4.485 594 HG13 VAL 81 3HG1 VAL 81 9.807 1.157 -4.395 595 HG21 VAL 81 3HG2 VAL 81 7.837 -1.108 -2.229 596 HG22 VAL 81 1HG2 VAL 81 7.705 -1.091 -3.988 597 HG23 VAL 81 2HG2 VAL 81 7.825 0.427 -3.098 598 H THR 82 H THR 82 11.708 -2.929 -5.175 599 HA THR 82 HA THR 82 14.190 -2.536 -3.636 600 HB THR 82 HB THR 82 13.631 -4.262 -6.057 601 HG1 THR 82 HG1 THR 82 12.979 -5.358 -4.281 602 HG21 THR 82 3HG2 THR 82 15.892 -3.327 -6.235 603 HG22 THR 82 1HG2 THR 82 15.948 -5.049 -5.859 604 HG23 THR 82 2HG2 THR 82 16.249 -3.860 -4.591 605 H VAL 83 H VAL 83 15.418 -0.850 -4.093 606 HA VAL 83 HA VAL 83 15.142 0.563 -6.656 607 HB VAL 83 HB VAL 83 16.705 1.423 -4.206 608 HG11 VAL 83 1HG1 VAL 83 17.376 2.526 -6.288 609 HG12 VAL 83 2HG1 VAL 83 16.585 3.659 -5.193 610 HG13 VAL 83 3HG1 VAL 83 15.706 3.011 -6.579 611 HG21 VAL 83 3HG2 VAL 83 14.370 1.149 -3.590 612 HG22 VAL 83 1HG2 VAL 83 13.864 2.115 -4.975 613 HG23 VAL 83 2HG2 VAL 83 14.778 2.863 -3.666 614 H LYS 84 H LYS 84 16.786 0.682 -8.147 615 HA LYS 84 HA LYS 84 19.415 -0.449 -7.419 616 HB2 LYS 84 2HB LYS 84 17.900 -1.011 -9.981 617 HB3 LYS 84 1HB LYS 84 19.535 -1.550 -9.625 618 HG2 LYS 84 2HG LYS 84 18.653 -2.854 -7.712 619 HG3 LYS 84 1HG LYS 84 17.019 -2.376 -8.183 620 HD2 LYS 84 2HD LYS 84 17.378 -3.448 -10.389 621 HD3 LYS 84 1HD LYS 84 18.974 -3.978 -9.847 622 HE2 LYS 84 2HE LYS 84 17.908 -5.262 -8.036 623 HE3 LYS 84 1HE LYS 84 16.324 -4.754 -8.620 624 HZ1 LYS 84 3HZ LYS 84 18.293 -6.397 -10.111 625 HZ2 LYS 84 1HZ LYS 84 16.810 -5.863 -10.729 626 HZ3 LYS 84 2HZ LYS 84 16.847 -6.942 -9.426 627 H VAL 85 H VAL 85 21.201 0.242 -8.741 628 HA VAL 85 HA VAL 85 20.989 3.025 -9.490 629 HB VAL 85 HB VAL 85 23.412 1.220 -9.697 630 HG11 VAL 85 1HG1 VAL 85 24.696 3.310 -9.595 631 HG12 VAL 85 2HG1 VAL 85 23.194 4.234 -9.552 632 HG13 VAL 85 3HG1 VAL 85 23.610 3.294 -10.985 633 HG21 VAL 85 3HG2 VAL 85 24.080 2.098 -7.509 634 HG22 VAL 85 1HG2 VAL 85 22.555 1.218 -7.409 635 HG23 VAL 85 2HG2 VAL 85 22.558 2.982 -7.393 636 H ARG 86 H ARG 86 21.383 3.925 -11.534 637 HA ARG 86 HA ARG 86 20.718 2.216 -13.784 638 HB2 ARG 86 2HB ARG 86 20.591 4.324 -15.061 639 HB3 ARG 86 1HB ARG 86 19.610 4.372 -13.602 640 HG2 ARG 86 2HG ARG 86 21.531 5.596 -12.497 641 HG3 ARG 86 1HG ARG 86 22.243 5.735 -14.107 642 HD2 ARG 86 2HD ARG 86 20.176 6.861 -14.885 643 HD3 ARG 86 1HD ARG 86 19.548 6.791 -13.238 644 HE ARG 86 HE ARG 86 22.051 8.217 -13.856 645 HH11 ARG 86 1HH1 ARG 86 18.879 8.172 -12.488 646 HH12 ARG 86 2HH1 ARG 86 18.999 9.790 -11.899 647 HH21 ARG 86 1HH2 ARG 86 22.181 10.297 -13.080 648 HH22 ARG 86 2HH2 ARG 86 20.836 10.974 -12.227 649 H GLU 87 H GLU 87 22.012 3.034 -15.945 650 HA GLU 87 HA GLU 87 24.552 1.785 -15.633 651 HB2 GLU 87 2HB GLU 87 23.294 3.181 -17.997 652 HB3 GLU 87 1HB GLU 87 24.834 2.333 -18.070 653 HG2 GLU 87 2HG GLU 87 23.692 0.253 -17.393 654 HG3 GLU 87 1HG GLU 87 22.154 1.119 -17.412 655 H GLU 88 H GLU 88 26.059 2.891 -14.462 656 HA GLU 88 HA GLU 88 26.785 5.606 -15.330 657 HB2 GLU 88 2HB GLU 88 27.817 4.062 -12.934 658 HB3 GLU 88 1HB GLU 88 28.083 5.767 -13.283 659 HG2 GLU 88 2HG GLU 88 25.561 6.040 -13.150 660 HG3 GLU 88 1HG GLU 88 25.516 4.411 -12.483 661 H VAL 89 H VAL 89 29.058 6.099 -15.748 662 HA VAL 89 HA VAL 89 30.231 3.941 -17.343 663 HB VAL 89 HB VAL 89 31.543 5.678 -18.449 664 HG11 VAL 89 1HG1 VAL 89 29.293 5.193 -19.273 665 HG12 VAL 89 2HG1 VAL 89 29.705 6.889 -19.518 666 HG13 VAL 89 3HG1 VAL 89 28.624 6.425 -18.203 667 HG21 VAL 89 3HG2 VAL 89 30.206 7.602 -16.530 668 HG22 VAL 89 1HG2 VAL 89 31.212 8.058 -17.907 669 HG23 VAL 89 2HG2 VAL 89 31.918 7.175 -16.553 670 H LYS 90 H LYS 90 32.810 4.446 -17.609 671 HA LYS 90 HA LYS 90 34.048 3.444 -15.297 672 HB2 LYS 90 2HB LYS 90 35.216 4.813 -17.727 673 HB3 LYS 90 1HB LYS 90 36.200 4.081 -16.468 674 HG2 LYS 90 2HG LYS 90 35.197 1.900 -16.944 675 HG3 LYS 90 1HG LYS 90 34.201 2.632 -18.203 676 HD2 LYS 90 2HD LYS 90 36.171 3.225 -19.480 677 HD3 LYS 90 1HD LYS 90 37.226 2.663 -18.184 678 HE2 LYS 90 2HE LYS 90 35.327 0.917 -19.757 679 HE3 LYS 90 1HE LYS 90 37.057 1.059 -20.061 680 HZ1 LYS 90 3HZ LYS 90 37.481 0.201 -17.846 681 HZ2 LYS 90 1HZ LYS 90 36.551 -0.891 -18.739 682 HZ3 LYS 90 2HZ LYS 90 35.822 0.063 -17.551 683 H ASN 91 H ASN 91 34.653 4.412 -13.464 684 HA ASN 91 HA ASN 91 34.741 7.305 -13.255 685 HB2 ASN 91 2HB ASN 91 33.760 5.825 -11.477 686 HB3 ASN 91 1HB ASN 91 35.380 5.223 -11.143 687 HD21 ASN 91 1HD2 ASN 91 36.814 6.512 -10.051 688 HD22 ASN 91 2HD2 ASN 91 36.356 7.987 -9.277 689 H ASP 92 H ASP 92 36.546 7.193 -14.955 690 HA ASP 92 HA ASP 92 39.164 6.397 -13.980 691 HB2 ASP 92 2HB ASP 92 39.923 7.064 -16.258 692 HB3 ASP 92 1HB ASP 92 38.615 5.883 -16.279 693 H LYS 93 H LYS 93 37.362 9.345 -14.365 694 HA LYS 93 HA LYS 93 39.285 11.261 -14.753 695 HB2 LYS 93 2HB LYS 93 37.742 12.838 -13.594 696 HB3 LYS 93 1HB LYS 93 36.957 11.826 -14.798 697 HG2 LYS 93 2HG LYS 93 36.192 10.334 -12.939 698 HG3 LYS 93 1HG LYS 93 36.846 11.514 -11.801 699 HD2 LYS 93 2HD LYS 93 34.596 12.101 -11.925 700 HD3 LYS 93 1HD LYS 93 35.357 13.222 -13.051 701 HE2 LYS 93 2HE LYS 93 33.956 10.651 -13.802 702 HE3 LYS 93 1HE LYS 93 33.273 12.267 -13.945 703 HZ1 LYS 93 3HZ LYS 93 35.595 11.178 -15.438 704 HZ2 LYS 93 1HZ LYS 93 35.104 12.795 -15.501 705 HZ3 LYS 93 2HZ LYS 93 34.080 11.576 -16.060 706 HA PRO 94 HA PRO 94 41.676 10.560 -11.032 707 HB2 PRO 94 2HB PRO 94 43.972 11.632 -11.872 708 HB3 PRO 94 1HB PRO 94 43.332 10.151 -12.595 709 HG2 PRO 94 2HG PRO 94 43.243 12.957 -13.635 710 HG3 PRO 94 1HG PRO 94 43.551 11.447 -14.511 711 HD2 PRO 94 2HD PRO 94 41.100 12.767 -14.401 712 HD3 PRO 94 1HD PRO 94 41.320 11.059 -14.832 713 H ILE 95 H ILE 95 42.239 11.621 -9.206 714 HA ILE 95 HA ILE 95 42.516 13.226 -7.636 715 HB ILE 95 HB ILE 95 43.412 14.959 -9.951 716 HG12 ILE 95 2HG1 ILE 95 45.017 13.180 -8.086 717 HG13 ILE 95 1HG1 ILE 95 44.681 12.842 -9.779 718 HG21 ILE 95 1HG2 ILE 95 44.636 16.241 -8.255 719 HG22 ILE 95 2HG2 ILE 95 43.952 15.222 -6.987 720 HG23 ILE 95 3HG2 ILE 95 42.900 16.265 -7.944 721 HD11 ILE 95 3HD1 ILE 95 45.961 14.824 -10.424 722 HD12 ILE 95 1HD1 ILE 95 46.931 13.685 -9.489 723 HD13 ILE 95 2HD1 ILE 95 46.307 15.145 -8.724 724 H LEU 96 H LEU 96 40.282 13.338 -7.151 725 HA LEU 96 HA LEU 96 39.223 15.942 -7.096 726 HB2 LEU 96 2HB LEU 96 38.775 15.457 -9.494 727 HB3 LEU 96 1HB LEU 96 37.795 14.085 -9.014 728 HG LEU 96 HG LEU 96 36.216 15.622 -7.884 729 HD11 LEU 96 1HD1 LEU 96 36.387 18.035 -8.266 730 HD12 LEU 96 2HD1 LEU 96 37.948 17.803 -9.053 731 HD13 LEU 96 3HD1 LEU 96 37.759 17.429 -7.340 732 HD21 LEU 96 3HD2 LEU 96 35.249 16.585 -9.925 733 HD22 LEU 96 1HD2 LEU 96 35.794 14.928 -10.184 734 HD23 LEU 96 2HD2 LEU 96 36.758 16.277 -10.784 735 H GLU 97 H GLU 97 37.478 16.116 -5.670 736 HA GLU 97 HA GLU 97 36.938 13.964 -3.903 737 HB2 GLU 97 2HB GLU 97 36.793 16.269 -3.155 738 HB3 GLU 97 1HB GLU 97 35.512 16.602 -4.310 739 HG2 GLU 97 2HG GLU 97 34.543 16.383 -2.139 740 HG3 GLU 97 1HG GLU 97 34.061 14.991 -3.104 Start of MODEL 14 1 H1 MET 1 1H MET 1 -38.375 -9.207 10.651 2 H2 MET 1 2H MET 1 -39.378 -9.996 9.539 3 H3 MET 1 3H MET 1 -37.810 -9.552 9.093 4 HA MET 1 HA MET 1 -36.889 -11.072 10.741 5 HB2 MET 1 2HB MET 1 -39.793 -11.877 11.070 6 HB3 MET 1 1HB MET 1 -38.429 -12.776 11.717 7 HG2 MET 1 2HG MET 1 -37.825 -10.822 13.094 8 HG3 MET 1 1HG MET 1 -39.247 -9.979 12.480 9 HE1 MET 1 3HE MET 1 -37.927 -12.970 14.666 10 HE2 MET 1 1HE MET 1 -38.861 -13.799 13.420 11 HE3 MET 1 2HE MET 1 -39.428 -13.790 15.090 12 H GLY 2 H GLY 2 -37.114 -13.649 10.442 13 HA2 GLY 2 2HA GLY 2 -37.349 -15.471 9.005 14 HA3 GLY 2 1HA GLY 2 -38.095 -14.420 7.813 15 H ASN 3 H ASN 3 -36.488 -12.753 6.854 16 HA ASN 3 HA ASN 3 -34.157 -14.259 5.922 17 HB2 ASN 3 2HB ASN 3 -35.282 -11.608 4.976 18 HB3 ASN 3 1HB ASN 3 -33.987 -12.512 4.197 19 HD21 ASN 3 1HD2 ASN 3 -35.259 -15.106 4.653 20 HD22 ASN 3 2HD2 ASN 3 -36.565 -15.178 3.525 21 H GLY 4 H GLY 4 -32.007 -13.472 6.010 22 HA2 GLY 4 2HA GLY 4 -31.445 -10.930 7.330 23 HA3 GLY 4 1HA GLY 4 -30.955 -12.360 8.226 24 H GLU 5 H GLU 5 -28.959 -13.086 7.874 25 HA GLU 5 HA GLU 5 -26.984 -13.628 6.893 26 HB2 GLU 5 2HB GLU 5 -28.347 -14.410 4.992 27 HB3 GLU 5 1HB GLU 5 -28.300 -12.797 4.297 28 HG2 GLU 5 2HG GLU 5 -25.809 -13.005 4.172 29 HG3 GLU 5 1HG GLU 5 -25.983 -14.684 4.681 30 H THR 6 H THR 6 -28.193 -10.482 6.873 31 HA THR 6 HA THR 6 -26.191 -9.169 5.310 32 HB THR 6 HB THR 6 -28.124 -8.045 7.351 33 HG1 THR 6 HG1 THR 6 -29.009 -8.956 5.368 34 HG21 THR 6 3HG2 THR 6 -27.625 -5.842 6.379 35 HG22 THR 6 1HG2 THR 6 -26.385 -6.570 5.356 36 HG23 THR 6 2HG2 THR 6 -26.186 -6.551 7.110 37 H SER 7 H SER 7 -24.116 -9.322 5.903 38 HA SER 7 HA SER 7 -23.369 -8.481 8.635 39 HB2 SER 7 2HB SER 7 -22.150 -10.796 7.094 40 HB3 SER 7 1HB SER 7 -21.528 -10.157 8.614 41 HG SER 7 HG SER 7 -23.103 -11.100 9.684 42 H ASP 8 H ASP 8 -21.215 -7.572 8.818 43 HA ASP 8 HA ASP 8 -20.379 -6.127 6.449 44 HB2 ASP 8 2HB ASP 8 -20.425 -4.889 8.522 45 HB3 ASP 8 1HB ASP 8 -19.390 -6.074 9.309 46 H LEU 9 H LEU 9 -18.914 -6.851 5.069 47 HA LEU 9 HA LEU 9 -17.032 -8.948 5.882 48 HB2 LEU 9 2HB LEU 9 -17.671 -7.819 3.151 49 HB3 LEU 9 1HB LEU 9 -16.524 -9.109 3.459 50 HG LEU 9 HG LEU 9 -19.512 -9.228 3.919 51 HD11 LEU 9 1HD1 LEU 9 -18.886 -9.334 1.564 52 HD12 LEU 9 2HD1 LEU 9 -19.481 -10.894 2.128 53 HD13 LEU 9 3HD1 LEU 9 -17.749 -10.637 1.910 54 HD21 LEU 9 3HD2 LEU 9 -17.393 -11.332 4.386 55 HD22 LEU 9 1HD2 LEU 9 -19.136 -11.600 4.464 56 HD23 LEU 9 2HD2 LEU 9 -18.358 -10.523 5.621 57 H GLU 10 H GLU 10 -14.876 -8.619 6.051 58 HA GLU 10 HA GLU 10 -13.751 -6.079 6.273 59 HB2 GLU 10 2HB GLU 10 -11.518 -7.263 6.085 60 HB3 GLU 10 1HB GLU 10 -12.594 -7.850 7.340 61 HG2 GLU 10 2HG GLU 10 -12.406 -9.179 4.647 62 HG3 GLU 10 1HG GLU 10 -11.313 -9.574 5.972 63 HA PRO 11 HA PRO 11 -13.433 -4.662 2.158 64 HB2 PRO 11 2HB PRO 11 -11.439 -2.826 2.363 65 HB3 PRO 11 1HB PRO 11 -13.039 -2.592 3.072 66 HG2 PRO 11 2HG PRO 11 -10.513 -3.537 4.390 67 HG3 PRO 11 1HG PRO 11 -11.684 -2.331 4.960 68 HD2 PRO 11 2HD PRO 11 -11.693 -4.875 5.874 69 HD3 PRO 11 1HD PRO 11 -13.190 -3.945 5.671 70 H LYS 12 H LYS 12 -12.216 -4.687 0.233 71 HA LYS 12 HA LYS 12 -10.031 -6.601 0.188 72 HB2 LYS 12 2HB LYS 12 -11.802 -6.818 -1.480 73 HB3 LYS 12 1HB LYS 12 -11.488 -5.189 -2.063 74 HG2 LYS 12 2HG LYS 12 -10.537 -6.882 -3.546 75 HG3 LYS 12 1HG LYS 12 -9.280 -5.864 -2.840 76 HD2 LYS 12 2HD LYS 12 -8.820 -7.623 -1.172 77 HD3 LYS 12 1HD LYS 12 -10.052 -8.642 -1.922 78 HE2 LYS 12 2HE LYS 12 -7.555 -7.617 -3.283 79 HE3 LYS 12 1HE LYS 12 -7.772 -9.241 -2.634 80 HZ1 LYS 12 3HZ LYS 12 -9.601 -9.565 -4.200 81 HZ2 LYS 12 1HZ LYS 12 -8.151 -9.217 -4.996 82 HZ3 LYS 12 2HZ LYS 12 -9.339 -8.021 -4.843 83 H LEU 13 H LEU 13 -8.125 -5.766 0.778 84 HA LEU 13 HA LEU 13 -7.238 -3.162 -0.228 85 HB2 LEU 13 2HB LEU 13 -6.896 -3.661 2.146 86 HB3 LEU 13 1HB LEU 13 -5.979 -5.096 1.732 87 HG LEU 13 HG LEU 13 -4.229 -3.669 0.714 88 HD11 LEU 13 1HD1 LEU 13 -5.631 -1.763 0.089 89 HD12 LEU 13 2HD1 LEU 13 -4.250 -1.258 1.063 90 HD13 LEU 13 3HD1 LEU 13 -5.852 -1.363 1.794 91 HD21 LEU 13 3HD2 LEU 13 -4.915 -2.988 3.579 92 HD22 LEU 13 1HD2 LEU 13 -3.334 -2.778 2.821 93 HD23 LEU 13 2HD2 LEU 13 -4.004 -4.394 3.029 94 H THR 14 H THR 14 -6.429 -3.235 -2.267 95 HA THR 14 HA THR 14 -5.001 -5.583 -3.227 96 HB THR 14 HB THR 14 -5.601 -2.960 -4.630 97 HG1 THR 14 HG1 THR 14 -6.829 -5.305 -5.458 98 HG21 THR 14 3HG2 THR 14 -5.033 -4.178 -6.698 99 HG22 THR 14 1HG2 THR 14 -4.541 -5.575 -5.736 100 HG23 THR 14 2HG2 THR 14 -3.649 -4.058 -5.612 101 H VAL 15 H VAL 15 -2.929 -5.822 -2.691 102 HA VAL 15 HA VAL 15 -1.088 -3.535 -2.957 103 HB VAL 15 HB VAL 15 -1.118 -5.485 -0.629 104 HG11 VAL 15 1HG1 VAL 15 0.862 -3.292 -1.269 105 HG12 VAL 15 2HG1 VAL 15 1.176 -5.028 -1.288 106 HG13 VAL 15 3HG1 VAL 15 0.808 -4.215 0.233 107 HG21 VAL 15 3HG2 VAL 15 -1.479 -3.491 0.758 108 HG22 VAL 15 1HG2 VAL 15 -2.782 -3.707 -0.410 109 HG23 VAL 15 2HG2 VAL 15 -1.539 -2.489 -0.693 110 HA PRO 16 HA PRO 16 1.216 -6.724 -5.177 111 HB2 PRO 16 2HB PRO 16 3.337 -5.205 -5.888 112 HB3 PRO 16 1HB PRO 16 1.764 -5.052 -6.679 113 HG2 PRO 16 2HG PRO 16 2.998 -3.337 -4.562 114 HG3 PRO 16 1HG PRO 16 2.058 -2.857 -5.985 115 HD2 PRO 16 2HD PRO 16 1.027 -3.018 -3.439 116 HD3 PRO 16 1HD PRO 16 0.054 -3.182 -4.914 117 H VAL 17 H VAL 17 2.904 -8.122 -4.642 118 HA VAL 17 HA VAL 17 3.864 -7.903 -1.928 119 HB VAL 17 HB VAL 17 3.139 -10.080 -2.843 120 HG11 VAL 17 1HG1 VAL 17 3.939 -9.853 -5.131 121 HG12 VAL 17 2HG1 VAL 17 4.586 -11.320 -4.397 122 HG13 VAL 17 3HG1 VAL 17 5.611 -9.895 -4.572 123 HG21 VAL 17 3HG2 VAL 17 5.003 -11.429 -1.961 124 HG22 VAL 17 1HG2 VAL 17 4.644 -10.043 -0.927 125 HG23 VAL 17 2HG2 VAL 17 6.042 -10.005 -2.000 126 H GLY 18 H GLY 18 5.185 -7.341 -5.116 127 HA2 GLY 18 2HA GLY 18 7.585 -6.200 -3.925 128 HA3 GLY 18 1HA GLY 18 7.857 -7.601 -4.944 129 H ALA 19 H ALA 19 8.403 -4.551 -5.080 130 HA ALA 19 HA ALA 19 7.695 -4.291 -7.935 131 HB1 ALA 19 3HB ALA 19 7.635 -2.045 -5.908 132 HB2 ALA 19 1HB ALA 19 6.222 -2.818 -6.628 133 HB3 ALA 19 2HB ALA 19 7.330 -1.888 -7.639 134 H THR 20 H THR 20 9.209 -2.844 -9.143 135 HA THR 20 HA THR 20 11.864 -2.638 -7.863 136 HB THR 20 HB THR 20 11.502 -3.701 -10.676 137 HG1 THR 20 HG1 THR 20 10.738 -5.310 -9.355 138 HG21 THR 20 3HG2 THR 20 13.861 -4.364 -10.422 139 HG22 THR 20 1HG2 THR 20 13.895 -3.632 -8.820 140 HG23 THR 20 2HG2 THR 20 13.659 -2.621 -10.247 141 H ILE 21 H ILE 21 12.831 -0.723 -8.197 142 HA ILE 21 HA ILE 21 12.290 0.785 -10.667 143 HB ILE 21 HB ILE 21 12.185 2.922 -9.381 144 HG12 ILE 21 2HG1 ILE 21 11.894 1.089 -6.984 145 HG13 ILE 21 1HG1 ILE 21 13.251 2.163 -7.303 146 HG21 ILE 21 1HG2 ILE 21 9.996 0.945 -8.738 147 HG22 ILE 21 2HG2 ILE 21 10.146 1.887 -10.220 148 HG23 ILE 21 3HG2 ILE 21 9.846 2.702 -8.686 149 HD11 ILE 21 3HD1 ILE 21 11.801 3.124 -5.639 150 HD12 ILE 21 1HD1 ILE 21 10.416 2.989 -6.722 151 HD13 ILE 21 2HD1 ILE 21 11.736 4.091 -7.114 152 H HIS 22 H HIS 22 13.856 2.826 -10.670 153 HA HIS 22 HA HIS 22 16.497 1.979 -9.633 154 HB2 HIS 22 2HB HIS 22 15.892 3.268 -12.308 155 HB3 HIS 22 1HB HIS 22 17.508 2.963 -11.681 156 HD1 HIS 22 HD1 HIS 22 14.540 1.233 -13.161 157 HD2 HIS 22 HD2 HIS 22 18.368 0.322 -11.835 158 HE1 HIS 22 HE1 HIS 22 14.983 -1.101 -13.955 159 HE2 HIS 22 HE2 HIS 22 17.387 -1.525 -13.358 160 H VAL 23 H VAL 23 18.080 3.774 -9.457 161 HA VAL 23 HA VAL 23 17.120 5.988 -8.030 162 HB VAL 23 HB VAL 23 19.765 5.732 -9.488 163 HG11 VAL 23 1HG1 VAL 23 19.286 8.049 -8.900 164 HG12 VAL 23 2HG1 VAL 23 20.588 7.413 -7.894 165 HG13 VAL 23 3HG1 VAL 23 18.960 7.577 -7.233 166 HG21 VAL 23 3HG2 VAL 23 19.424 3.901 -7.920 167 HG22 VAL 23 1HG2 VAL 23 19.039 5.047 -6.633 168 HG23 VAL 23 2HG2 VAL 23 20.663 5.002 -7.320 169 H GLY 24 H GLY 24 15.927 7.609 -8.786 170 HA2 GLY 24 2HA GLY 24 15.900 9.614 -10.229 171 HA3 GLY 24 1HA GLY 24 16.372 8.567 -11.557 172 H ASP 25 H ASP 25 14.481 6.437 -10.571 173 HA ASP 25 HA ASP 25 12.193 7.220 -12.067 174 HB2 ASP 25 2HB ASP 25 12.837 4.828 -10.355 175 HB3 ASP 25 1HB ASP 25 11.230 5.040 -11.048 176 H SER 26 H SER 26 9.936 7.054 -11.219 177 HA SER 26 HA SER 26 9.727 8.328 -8.558 178 HB2 SER 26 2HB SER 26 8.095 8.915 -11.044 179 HB3 SER 26 1HB SER 26 7.787 9.608 -9.452 180 HG SER 26 HG SER 26 9.910 10.078 -11.235 181 H PHE 27 H PHE 27 8.559 7.222 -7.135 182 HA PHE 27 HA PHE 27 6.603 5.229 -8.107 183 HB2 PHE 27 2HB PHE 27 8.676 4.255 -7.108 184 HB3 PHE 27 1HB PHE 27 8.308 5.087 -5.602 185 HD1 PHE 27 HD1 PHE 27 6.497 4.320 -4.160 186 HD2 PHE 27 HD2 PHE 27 7.414 2.309 -7.810 187 HE1 PHE 27 HE1 PHE 27 5.161 2.389 -3.432 188 HE2 PHE 27 HE2 PHE 27 6.075 0.380 -7.080 189 HZ PHE 27 HZ PHE 27 4.948 0.419 -4.891 190 H VAL 28 H VAL 28 4.542 5.514 -7.423 191 HA VAL 28 HA VAL 28 4.075 7.296 -5.107 192 HB VAL 28 HB VAL 28 2.238 6.847 -7.474 193 HG11 VAL 28 1HG1 VAL 28 0.995 7.297 -5.427 194 HG12 VAL 28 2HG1 VAL 28 0.909 8.682 -6.516 195 HG13 VAL 28 3HG1 VAL 28 1.985 8.723 -5.118 196 HG21 VAL 28 3HG2 VAL 28 2.775 9.181 -8.067 197 HG22 VAL 28 1HG2 VAL 28 4.201 8.144 -8.113 198 HG23 VAL 28 2HG2 VAL 28 3.949 9.235 -6.751 199 HA PRO 29 HA PRO 29 2.765 3.274 -3.396 200 HB2 PRO 29 2HB PRO 29 2.217 5.098 -1.089 201 HB3 PRO 29 1HB PRO 29 3.067 3.547 -1.127 202 HG2 PRO 29 2HG PRO 29 4.439 5.810 -0.924 203 HG3 PRO 29 1HG PRO 29 5.027 4.495 -1.962 204 HD2 PRO 29 2HD PRO 29 3.644 7.045 -2.730 205 HD3 PRO 29 1HD PRO 29 4.998 6.215 -3.527 206 H MET 30 H MET 30 0.897 6.282 -2.803 207 HA MET 30 HA MET 30 -1.523 4.809 -2.295 208 HB2 MET 30 2HB MET 30 -0.977 7.768 -2.548 209 HB3 MET 30 1HB MET 30 -2.566 7.104 -2.183 210 HG2 MET 30 2HG MET 30 -0.068 6.862 -0.518 211 HG3 MET 30 1HG MET 30 -1.520 7.788 -0.141 212 HE1 MET 30 3HE MET 30 -3.920 6.613 0.292 213 HE2 MET 30 1HE MET 30 -4.139 4.865 0.362 214 HE3 MET 30 2HE MET 30 -3.756 5.644 -1.173 215 H ALA 31 H ALA 31 -0.037 5.464 -5.166 216 HA ALA 31 HA ALA 31 -2.527 5.849 -6.665 217 HB1 ALA 31 3HB ALA 31 -1.107 6.009 -8.644 218 HB2 ALA 31 1HB ALA 31 0.312 5.618 -7.670 219 HB3 ALA 31 2HB ALA 31 -0.567 7.119 -7.386 220 H GLU 32 H GLU 32 0.117 3.471 -6.386 221 HA GLU 32 HA GLU 32 -1.242 1.587 -8.095 222 HB2 GLU 32 2HB GLU 32 1.286 1.342 -6.455 223 HB3 GLU 32 1HB GLU 32 0.674 0.075 -7.512 224 HG2 GLU 32 2HG GLU 32 0.806 1.704 -9.408 225 HG3 GLU 32 1HG GLU 32 1.612 2.824 -8.312 226 H VAL 33 H VAL 33 -1.263 2.241 -4.711 227 HA VAL 33 HA VAL 33 -2.398 -0.399 -4.099 228 HB VAL 33 HB VAL 33 -1.642 1.877 -2.251 229 HG11 VAL 33 1HG1 VAL 33 -3.507 0.615 -1.305 230 HG12 VAL 33 2HG1 VAL 33 -2.023 0.271 -0.416 231 HG13 VAL 33 3HG1 VAL 33 -2.645 -0.899 -1.580 232 HG21 VAL 33 3HG2 VAL 33 -0.340 -0.797 -2.791 233 HG22 VAL 33 1HG2 VAL 33 0.162 0.349 -1.549 234 HG23 VAL 33 2HG2 VAL 33 0.285 0.788 -3.253 235 H LEU 34 H LEU 34 -4.485 -0.690 -3.318 236 HA LEU 34 HA LEU 34 -6.345 1.573 -3.364 237 HB2 LEU 34 2HB LEU 34 -6.216 0.892 -5.679 238 HB3 LEU 34 1HB LEU 34 -6.455 -0.786 -5.256 239 HG LEU 34 HG LEU 34 -8.644 1.128 -4.560 240 HD11 LEU 34 1HD1 LEU 34 -9.597 0.939 -6.822 241 HD12 LEU 34 2HD1 LEU 34 -8.118 0.151 -7.375 242 HD13 LEU 34 3HD1 LEU 34 -8.075 1.827 -6.824 243 HD21 LEU 34 3HD2 LEU 34 -8.851 -1.219 -3.948 244 HD22 LEU 34 1HD2 LEU 34 -8.581 -1.703 -5.624 245 HD23 LEU 34 2HD2 LEU 34 -10.034 -0.806 -5.187 246 H ALA 35 H ALA 35 -8.354 1.155 -2.303 247 HA ALA 35 HA ALA 35 -8.773 -1.546 -1.227 248 HB1 ALA 35 3HB ALA 35 -9.195 -0.717 1.030 249 HB2 ALA 35 1HB ALA 35 -8.780 0.919 0.519 250 HB3 ALA 35 2HB ALA 35 -7.548 -0.344 0.519 251 H ILE 36 H ILE 36 -10.774 -2.158 -1.668 252 HA ILE 36 HA ILE 36 -12.960 -0.166 -1.615 253 HB ILE 36 HB ILE 36 -12.578 -2.406 -3.622 254 HG12 ILE 36 2HG1 ILE 36 -11.340 -0.335 -4.113 255 HG13 ILE 36 1HG1 ILE 36 -12.620 -0.613 -5.288 256 HG21 ILE 36 1HG2 ILE 36 -14.918 -2.356 -2.965 257 HG22 ILE 36 2HG2 ILE 36 -14.737 -1.704 -4.594 258 HG23 ILE 36 3HG2 ILE 36 -14.979 -0.613 -3.230 259 HD11 ILE 36 3HD1 ILE 36 -14.010 1.050 -4.181 260 HD12 ILE 36 1HD1 ILE 36 -12.452 1.733 -4.646 261 HD13 ILE 36 2HD1 ILE 36 -12.757 1.301 -2.964 262 H ASP 37 H ASP 37 -14.921 -0.863 -0.777 263 HA ASP 37 HA ASP 37 -14.926 -3.529 0.488 264 HB2 ASP 37 2HB ASP 37 -14.471 -1.785 2.150 265 HB3 ASP 37 1HB ASP 37 -15.935 -0.930 1.672 266 H LYS 38 H LYS 38 -16.937 -4.549 0.745 267 HA LYS 38 HA LYS 38 -18.676 -4.346 -1.422 268 HB2 LYS 38 2HB LYS 38 -18.368 -6.385 -0.080 269 HB3 LYS 38 1HB LYS 38 -19.189 -5.622 1.276 270 HG2 LYS 38 2HG LYS 38 -21.253 -5.502 -0.025 271 HG3 LYS 38 1HG LYS 38 -20.432 -6.236 -1.407 272 HD2 LYS 38 2HD LYS 38 -20.009 -8.259 -0.062 273 HD3 LYS 38 1HD LYS 38 -20.858 -7.524 1.298 274 HE2 LYS 38 2HE LYS 38 -22.072 -8.150 -1.399 275 HE3 LYS 38 1HE LYS 38 -22.275 -9.112 0.065 276 HZ1 LYS 38 3HZ LYS 38 -24.168 -7.687 -0.260 277 HZ2 LYS 38 1HZ LYS 38 -23.187 -6.309 -0.335 278 HZ3 LYS 38 2HZ LYS 38 -23.323 -7.175 1.111 279 H GLU 39 H GLU 39 -19.434 -3.466 1.985 280 HA GLU 39 HA GLU 39 -21.897 -2.197 1.067 281 HB2 GLU 39 2HB GLU 39 -21.284 -1.791 3.907 282 HB3 GLU 39 1HB GLU 39 -22.720 -2.447 3.144 283 HG2 GLU 39 2HG GLU 39 -21.915 -4.173 4.486 284 HG3 GLU 39 1HG GLU 39 -21.387 -4.603 2.858 285 H ASP 40 H ASP 40 -18.966 -1.123 2.825 286 HA ASP 40 HA ASP 40 -19.920 1.553 3.093 287 HB2 ASP 40 2HB ASP 40 -18.234 0.350 4.591 288 HB3 ASP 40 1HB ASP 40 -17.034 0.705 3.350 289 H GLY 41 H GLY 41 -17.609 0.024 0.870 290 HA2 GLY 41 2HA GLY 41 -17.521 0.797 -1.426 291 HA3 GLY 41 1HA GLY 41 -17.825 2.425 -0.846 292 H ASP 42 H ASP 42 -16.070 3.616 -1.320 293 HA ASP 42 HA ASP 42 -13.470 2.489 -1.612 294 HB2 ASP 42 2HB ASP 42 -14.239 4.441 -2.927 295 HB3 ASP 42 1HB ASP 42 -14.264 5.408 -1.454 296 H LEU 43 H LEU 43 -12.315 1.825 0.084 297 HA LEU 43 HA LEU 43 -12.112 3.624 2.415 298 HB2 LEU 43 2HB LEU 43 -11.529 0.666 2.176 299 HB3 LEU 43 1HB LEU 43 -11.169 1.625 3.602 300 HG LEU 43 HG LEU 43 -13.933 1.142 2.457 301 HD11 LEU 43 1HD1 LEU 43 -14.327 -0.198 4.442 302 HD12 LEU 43 2HD1 LEU 43 -12.675 0.095 4.995 303 HD13 LEU 43 3HD1 LEU 43 -12.962 -0.839 3.528 304 HD21 LEU 43 3HD2 LEU 43 -13.087 2.628 4.951 305 HD22 LEU 43 1HD2 LEU 43 -14.749 2.260 4.483 306 HD23 LEU 43 2HD2 LEU 43 -13.772 3.343 3.491 307 H THR 44 H THR 44 -10.692 3.357 -0.370 308 HA THR 44 HA THR 44 -7.951 2.949 0.049 309 HB THR 44 HB THR 44 -9.145 4.939 -1.907 310 HG1 THR 44 HG1 THR 44 -10.028 3.250 -2.816 311 HG21 THR 44 3HG2 THR 44 -6.588 3.320 -1.993 312 HG22 THR 44 1HG2 THR 44 -6.706 5.057 -1.702 313 HG23 THR 44 2HG2 THR 44 -7.171 4.390 -3.268 314 H SER 45 H SER 45 -10.000 5.707 0.728 315 HA SER 45 HA SER 45 -7.914 7.572 1.293 316 HB2 SER 45 2HB SER 45 -10.236 8.280 0.824 317 HB3 SER 45 1HB SER 45 -10.764 7.530 2.329 318 HG SER 45 HG SER 45 -10.405 9.514 3.029 319 H LYS 46 H LYS 46 -9.313 4.959 3.086 320 HA LYS 46 HA LYS 46 -8.477 5.893 5.693 321 HB2 LYS 46 2HB LYS 46 -9.491 3.179 4.807 322 HB3 LYS 46 1HB LYS 46 -9.268 3.683 6.476 323 HG2 LYS 46 2HG LYS 46 -11.064 5.301 4.724 324 HG3 LYS 46 1HG LYS 46 -11.634 3.742 5.310 325 HD2 LYS 46 2HD LYS 46 -12.386 5.476 6.811 326 HD3 LYS 46 1HD LYS 46 -11.180 4.487 7.633 327 HE2 LYS 46 2HE LYS 46 -9.487 6.190 7.232 328 HE3 LYS 46 1HE LYS 46 -10.651 7.160 6.331 329 HZ1 LYS 46 3HZ LYS 46 -10.356 7.930 8.616 330 HZ2 LYS 46 1HZ LYS 46 -10.897 6.437 9.201 331 HZ3 LYS 46 2HZ LYS 46 -11.948 7.437 8.326 332 H ILE 47 H ILE 47 -6.912 4.341 3.112 333 HA ILE 47 HA ILE 47 -5.223 2.524 4.475 334 HB ILE 47 HB ILE 47 -4.730 3.960 1.858 335 HG12 ILE 47 2HG1 ILE 47 -5.871 1.200 2.395 336 HG13 ILE 47 1HG1 ILE 47 -6.800 2.600 1.870 337 HG21 ILE 47 1HG2 ILE 47 -3.153 2.125 1.385 338 HG22 ILE 47 2HG2 ILE 47 -3.402 1.507 3.019 339 HG23 ILE 47 3HG2 ILE 47 -2.657 3.087 2.778 340 HD11 ILE 47 3HD1 ILE 47 -5.546 2.658 -0.218 341 HD12 ILE 47 1HD1 ILE 47 -6.323 1.093 0.022 342 HD13 ILE 47 2HD1 ILE 47 -4.593 1.271 0.312 343 H LYS 48 H LYS 48 -3.804 3.073 6.013 344 HA LYS 48 HA LYS 48 -2.217 5.524 5.735 345 HB2 LYS 48 2HB LYS 48 -2.603 3.598 8.031 346 HB3 LYS 48 1HB LYS 48 -1.380 4.864 8.051 347 HG2 LYS 48 2HG LYS 48 -3.071 6.573 7.851 348 HG3 LYS 48 1HG LYS 48 -4.326 5.349 7.684 349 HD2 LYS 48 2HD LYS 48 -3.857 4.553 9.957 350 HD3 LYS 48 1HD LYS 48 -2.570 5.751 10.114 351 HE2 LYS 48 2HE LYS 48 -4.559 6.543 11.241 352 HE3 LYS 48 1HE LYS 48 -4.241 7.545 9.827 353 HZ1 LYS 48 3HZ LYS 48 -6.586 6.983 10.053 354 HZ2 LYS 48 1HZ LYS 48 -6.225 5.336 9.952 355 HZ3 LYS 48 2HZ LYS 48 -5.947 6.350 8.623 356 H VAL 49 H VAL 49 -0.235 5.491 4.986 357 HA VAL 49 HA VAL 49 1.026 2.912 4.374 358 HB VAL 49 HB VAL 49 1.778 5.681 3.406 359 HG11 VAL 49 1HG1 VAL 49 2.715 2.959 2.477 360 HG12 VAL 49 2HG1 VAL 49 3.675 4.150 3.354 361 HG13 VAL 49 3HG1 VAL 49 3.123 4.498 1.717 362 HG21 VAL 49 3HG2 VAL 49 -0.441 5.003 2.615 363 HG22 VAL 49 1HG2 VAL 49 0.236 3.499 1.993 364 HG23 VAL 49 2HG2 VAL 49 0.725 5.041 1.292 365 H ASP 50 H ASP 50 2.364 2.155 5.898 366 HA ASP 50 HA ASP 50 4.071 4.007 7.405 367 HB2 ASP 50 2HB ASP 50 2.770 2.353 8.688 368 HB3 ASP 50 1HB ASP 50 3.562 1.045 7.813 369 H GLY 51 H GLY 51 6.265 4.058 7.182 370 HA2 GLY 51 2HA GLY 51 8.375 3.033 6.556 371 HA3 GLY 51 1HA GLY 51 7.518 2.123 5.322 372 H GLU 52 H GLU 52 9.712 3.353 4.463 373 HA GLU 52 HA GLU 52 8.701 5.571 2.840 374 HB2 GLU 52 2HB GLU 52 9.775 6.515 4.914 375 HB3 GLU 52 1HB GLU 52 11.292 5.796 4.392 376 HG2 GLU 52 2HG GLU 52 11.170 8.174 3.845 377 HG3 GLU 52 1HG GLU 52 11.294 7.176 2.396 378 H VAL 53 H VAL 53 9.792 5.879 0.869 379 HA VAL 53 HA VAL 53 11.884 3.892 0.196 380 HB VAL 53 HB VAL 53 9.606 4.773 -1.603 381 HG11 VAL 53 1HG1 VAL 53 11.915 2.901 -2.169 382 HG12 VAL 53 2HG1 VAL 53 11.649 4.485 -2.899 383 HG13 VAL 53 3HG1 VAL 53 10.530 3.162 -3.230 384 HG21 VAL 53 3HG2 VAL 53 8.913 3.142 0.084 385 HG22 VAL 53 1HG2 VAL 53 10.224 2.068 -0.406 386 HG23 VAL 53 2HG2 VAL 53 8.911 2.426 -1.528 387 H ASP 54 H ASP 54 13.733 4.912 -0.297 388 HA ASP 54 HA ASP 54 13.725 7.669 -1.218 389 HB2 ASP 54 2HB ASP 54 16.020 5.774 -0.648 390 HB3 ASP 54 1HB ASP 54 16.185 7.490 -1.021 391 H THR 55 H THR 55 14.157 8.367 -3.249 392 HA THR 55 HA THR 55 14.521 6.360 -5.361 393 HB THR 55 HB THR 55 13.940 8.185 -6.934 394 HG1 THR 55 HG1 THR 55 13.439 10.208 -6.168 395 HG21 THR 55 3HG2 THR 55 12.151 6.769 -6.000 396 HG22 THR 55 1HG2 THR 55 11.586 8.411 -6.304 397 HG23 THR 55 2HG2 THR 55 11.963 7.899 -4.658 398 H THR 56 H THR 56 16.306 8.640 -3.601 399 HA THR 56 HA THR 56 18.329 9.059 -5.675 400 HB THR 56 HB THR 56 19.451 10.502 -4.001 401 HG1 THR 56 HG1 THR 56 18.412 10.855 -1.998 402 HG21 THR 56 3HG2 THR 56 16.499 11.088 -4.333 403 HG22 THR 56 1HG2 THR 56 17.774 11.506 -5.478 404 HG23 THR 56 2HG2 THR 56 17.736 12.264 -3.886 405 H LYS 57 H LYS 57 17.812 7.177 -2.776 406 HA LYS 57 HA LYS 57 20.529 6.045 -3.037 407 HB2 LYS 57 2HB LYS 57 19.987 7.246 -0.866 408 HB3 LYS 57 1HB LYS 57 18.811 5.979 -0.546 409 HG2 LYS 57 2HG LYS 57 20.876 5.527 0.640 410 HG3 LYS 57 1HG LYS 57 20.612 4.302 -0.605 411 HD2 LYS 57 2HD LYS 57 22.175 5.484 -2.094 412 HD3 LYS 57 1HD LYS 57 22.433 6.709 -0.849 413 HE2 LYS 57 2HE LYS 57 23.358 4.990 0.640 414 HE3 LYS 57 1HE LYS 57 23.098 3.770 -0.608 415 HZ1 LYS 57 3HZ LYS 57 24.883 6.134 -0.841 416 HZ2 LYS 57 1HZ LYS 57 24.637 4.967 -2.040 417 HZ3 LYS 57 2HZ LYS 57 25.383 4.542 -0.583 418 H ALA 58 H ALA 58 20.710 3.882 -3.404 419 HA ALA 58 HA ALA 58 18.263 2.454 -4.040 420 HB1 ALA 58 3HB ALA 58 20.099 2.430 -5.632 421 HB2 ALA 58 1HB ALA 58 19.708 0.801 -5.082 422 HB3 ALA 58 2HB ALA 58 21.130 1.630 -4.445 423 H GLY 59 H GLY 59 17.601 0.517 -3.212 424 HA2 GLY 59 2HA GLY 59 18.798 -1.276 -1.544 425 HA3 GLY 59 1HA GLY 59 18.252 -0.006 -0.456 426 H THR 60 H THR 60 17.160 -2.364 0.053 427 HA THR 60 HA THR 60 14.591 -2.523 -1.352 428 HB THR 60 HB THR 60 15.742 -4.309 0.806 429 HG1 THR 60 HG1 THR 60 15.260 -5.367 -1.685 430 HG21 THR 60 3HG2 THR 60 13.898 -5.842 0.268 431 HG22 THR 60 1HG2 THR 60 13.233 -4.648 -0.846 432 HG23 THR 60 2HG2 THR 60 13.292 -4.304 0.882 433 H TYR 61 H TYR 61 12.836 -1.521 -0.603 434 HA TYR 61 HA TYR 61 12.715 -0.757 2.252 435 HB2 TYR 61 2HB TYR 61 11.560 0.804 -0.077 436 HB3 TYR 61 1HB TYR 61 11.585 1.296 1.613 437 HD1 TYR 61 HD1 TYR 61 13.766 1.917 2.679 438 HD2 TYR 61 HD2 TYR 61 13.445 1.168 -1.499 439 HE1 TYR 61 HE1 TYR 61 15.915 3.057 2.312 440 HE2 TYR 61 HE2 TYR 61 15.593 2.299 -1.874 441 HH TYR 61 HH TYR 61 17.040 3.912 -0.822 442 H VAL 62 H VAL 62 11.086 -1.751 3.291 443 HA VAL 62 HA VAL 62 8.863 -2.899 1.779 444 HB VAL 62 HB VAL 62 9.510 -3.148 4.730 445 HG11 VAL 62 1HG1 VAL 62 7.938 -5.023 4.713 446 HG12 VAL 62 2HG1 VAL 62 7.583 -4.723 3.011 447 HG13 VAL 62 3HG1 VAL 62 7.136 -3.528 4.229 448 HG21 VAL 62 3HG2 VAL 62 11.265 -4.120 3.323 449 HG22 VAL 62 1HG2 VAL 62 10.055 -5.068 2.459 450 HG23 VAL 62 2HG2 VAL 62 10.362 -5.376 4.169 451 H LEU 63 H LEU 63 6.978 -1.875 1.569 452 HA LEU 63 HA LEU 63 6.261 0.283 3.447 453 HB2 LEU 63 2HB LEU 63 5.229 -0.342 0.673 454 HB3 LEU 63 1HB LEU 63 4.626 0.957 1.686 455 HG LEU 63 HG LEU 63 7.428 0.732 0.567 456 HD11 LEU 63 1HD1 LEU 63 6.798 2.691 -0.758 457 HD12 LEU 63 2HD1 LEU 63 5.160 2.608 -0.105 458 HD13 LEU 63 3HD1 LEU 63 5.773 1.304 -1.124 459 HD21 LEU 63 3HD2 LEU 63 7.456 1.793 2.763 460 HD22 LEU 63 1HD2 LEU 63 6.175 2.897 2.266 461 HD23 LEU 63 2HD2 LEU 63 7.762 2.983 1.499 462 H THR 64 H THR 64 4.674 -0.038 4.876 463 HA THR 64 HA THR 64 2.909 -2.373 4.565 464 HB THR 64 HB THR 64 3.440 -0.665 7.015 465 HG1 THR 64 HG1 THR 64 5.005 -2.039 7.372 466 HG21 THR 64 3HG2 THR 64 1.760 -3.160 6.674 467 HG22 THR 64 1HG2 THR 64 1.182 -1.547 7.098 468 HG23 THR 64 2HG2 THR 64 2.196 -2.445 8.228 469 H TYR 65 H TYR 65 0.817 -2.131 4.068 470 HA TYR 65 HA TYR 65 -0.389 0.560 4.258 471 HB2 TYR 65 2HB TYR 65 -1.188 -1.696 2.397 472 HB3 TYR 65 1HB TYR 65 -1.802 -0.044 2.380 473 HD1 TYR 65 HD2 TYR 65 -0.289 1.823 1.677 474 HD2 TYR 65 HD1 TYR 65 0.857 -2.263 1.308 475 HE1 TYR 65 HE2 TYR 65 1.483 2.466 0.099 476 HE2 TYR 65 HE1 TYR 65 2.627 -1.628 -0.274 477 HH TYR 65 HH TYR 65 3.069 0.256 -1.855 478 H THR 66 H THR 66 -1.763 0.701 5.935 479 HA THR 66 HA THR 66 -3.357 -1.690 6.661 480 HB THR 66 HB THR 66 -2.578 0.637 8.443 481 HG1 THR 66 HG1 THR 66 -1.182 -0.873 9.407 482 HG21 THR 66 3HG2 THR 66 -4.744 -0.360 9.068 483 HG22 THR 66 1HG2 THR 66 -3.503 -0.710 10.270 484 HG23 THR 66 2HG2 THR 66 -3.994 -1.957 9.122 485 H VAL 67 H VAL 67 -5.491 -1.584 6.346 486 HA VAL 67 HA VAL 67 -6.827 1.050 6.328 487 HB VAL 67 HB VAL 67 -6.582 0.303 4.005 488 HG11 VAL 67 1HG1 VAL 67 -7.686 -1.732 3.192 489 HG12 VAL 67 2HG1 VAL 67 -8.132 -2.154 4.846 490 HG13 VAL 67 3HG1 VAL 67 -6.432 -2.107 4.373 491 HG21 VAL 67 3HG2 VAL 67 -8.584 1.567 4.639 492 HG22 VAL 67 1HG2 VAL 67 -9.435 0.059 4.972 493 HG23 VAL 67 2HG2 VAL 67 -8.922 0.438 3.326 494 H THR 68 H THR 68 -8.672 1.175 7.503 495 HA THR 68 HA THR 68 -9.768 -1.334 8.639 496 HB THR 68 HB THR 68 -9.784 1.425 9.906 497 HG1 THR 68 HG1 THR 68 -7.717 0.326 9.896 498 HG21 THR 68 3HG2 THR 68 -10.693 -1.246 11.001 499 HG22 THR 68 1HG2 THR 68 -11.744 0.095 10.542 500 HG23 THR 68 2HG2 THR 68 -10.634 0.270 11.901 501 H ASP 69 H ASP 69 -11.896 -1.757 8.402 502 HA ASP 69 HA ASP 69 -13.594 -0.098 6.812 503 HB2 ASP 69 2HB ASP 69 -13.695 -2.634 6.986 504 HB3 ASP 69 1HB ASP 69 -14.410 -2.427 8.579 505 H SER 70 H SER 70 -15.508 0.976 7.505 506 HA SER 70 HA SER 70 -15.251 2.589 9.762 507 HB2 SER 70 2HB SER 70 -16.651 3.184 7.824 508 HB3 SER 70 1HB SER 70 -17.796 1.915 8.257 509 HG SER 70 HG SER 70 -18.658 3.657 9.199 510 H LYS 71 H LYS 71 -16.861 -0.545 9.418 511 HA LYS 71 HA LYS 71 -18.002 -0.324 12.103 512 HB2 LYS 71 2HB LYS 71 -18.278 -2.471 9.998 513 HB3 LYS 71 1HB LYS 71 -18.987 -2.587 11.601 514 HG2 LYS 71 2HG LYS 71 -20.733 -1.834 10.245 515 HG3 LYS 71 1HG LYS 71 -20.165 -0.386 11.072 516 HD2 LYS 71 2HD LYS 71 -20.512 0.214 8.794 517 HD3 LYS 71 1HD LYS 71 -18.765 0.103 9.023 518 HE2 LYS 71 2HE LYS 71 -18.899 -2.247 8.126 519 HE3 LYS 71 1HE LYS 71 -20.583 -1.921 7.716 520 HZ1 LYS 71 3HZ LYS 71 -19.770 -0.035 6.348 521 HZ2 LYS 71 1HZ LYS 71 -19.252 -1.553 5.805 522 HZ3 LYS 71 2HZ LYS 71 -18.182 -0.552 6.649 523 H GLY 72 H GLY 72 -14.993 -1.068 11.093 524 HA2 GLY 72 2HA GLY 72 -13.408 -1.472 12.835 525 HA3 GLY 72 1HA GLY 72 -14.584 -2.478 13.649 526 H HIS 73 H HIS 73 -13.700 -2.870 10.220 527 HA HIS 73 HA HIS 73 -12.298 -5.364 10.969 528 HB2 HIS 73 2HB HIS 73 -13.755 -4.597 8.442 529 HB3 HIS 73 1HB HIS 73 -12.634 -5.954 8.494 530 HD1 HIS 73 HD1 HIS 73 -16.099 -5.079 9.127 531 HD2 HIS 73 HD2 HIS 73 -13.465 -8.010 10.419 532 HE1 HIS 73 HE1 HIS 73 -17.540 -6.902 10.056 533 HE2 HIS 73 HE2 HIS 73 -15.931 -8.756 10.607 534 H GLU 74 H GLU 74 -10.150 -5.141 11.024 535 HA GLU 74 HA GLU 74 -8.861 -3.109 9.341 536 HB2 GLU 74 2HB GLU 74 -8.381 -3.031 11.746 537 HB3 GLU 74 1HB GLU 74 -7.774 -4.681 11.692 538 HG2 GLU 74 2HG GLU 74 -5.984 -3.944 10.152 539 HG3 GLU 74 1HG GLU 74 -6.570 -2.289 10.302 540 H VAL 75 H VAL 75 -7.688 -3.606 7.618 541 HA VAL 75 HA VAL 75 -6.525 -6.312 7.344 542 HB VAL 75 HB VAL 75 -7.657 -4.606 5.099 543 HG11 VAL 75 1HG1 VAL 75 -6.467 -7.385 5.030 544 HG12 VAL 75 2HG1 VAL 75 -5.731 -5.922 4.376 545 HG13 VAL 75 3HG1 VAL 75 -7.218 -6.552 3.669 546 HG21 VAL 75 3HG2 VAL 75 -9.434 -5.577 6.462 547 HG22 VAL 75 1HG2 VAL 75 -8.710 -7.178 6.291 548 HG23 VAL 75 2HG2 VAL 75 -9.370 -6.350 4.879 549 H THR 76 H THR 76 -4.339 -6.325 6.946 550 HA THR 76 HA THR 76 -3.085 -3.849 5.955 551 HB THR 76 HB THR 76 -2.870 -3.677 8.353 552 HG1 THR 76 HG1 THR 76 -1.025 -2.897 7.591 553 HG21 THR 76 3HG2 THR 76 -1.694 -5.351 9.700 554 HG22 THR 76 1HG2 THR 76 -1.544 -6.396 8.288 555 HG23 THR 76 2HG2 THR 76 -3.137 -6.039 8.956 556 H ALA 77 H ALA 77 -1.573 -4.170 4.455 557 HA ALA 77 HA ALA 77 -0.233 -6.790 4.220 558 HB1 ALA 77 3HB ALA 77 -1.578 -5.339 1.929 559 HB2 ALA 77 1HB ALA 77 -2.134 -6.835 2.680 560 HB3 ALA 77 2HB ALA 77 -0.611 -6.810 1.792 561 H LYS 78 H LYS 78 1.749 -6.702 2.862 562 HA LYS 78 HA LYS 78 2.970 -4.007 2.958 563 HB2 LYS 78 2HB LYS 78 4.265 -6.658 3.626 564 HB3 LYS 78 1HB LYS 78 5.104 -5.111 3.561 565 HG2 LYS 78 2HG LYS 78 3.724 -4.265 5.382 566 HG3 LYS 78 1HG LYS 78 2.837 -5.791 5.433 567 HD2 LYS 78 2HD LYS 78 4.899 -6.974 6.027 568 HD3 LYS 78 1HD LYS 78 5.797 -5.454 5.962 569 HE2 LYS 78 2HE LYS 78 4.458 -4.569 7.801 570 HE3 LYS 78 1HE LYS 78 3.503 -6.053 7.838 571 HZ1 LYS 78 3HZ LYS 78 5.240 -5.997 9.543 572 HZ2 LYS 78 1HZ LYS 78 6.424 -5.909 8.341 573 HZ3 LYS 78 2HZ LYS 78 5.449 -7.285 8.472 574 H GLN 79 H GLN 79 4.782 -3.620 1.550 575 HA GLN 79 HA GLN 79 4.863 -5.309 -0.871 576 HB2 GLN 79 2HB GLN 79 3.500 -3.350 -1.390 577 HB3 GLN 79 1HB GLN 79 4.747 -2.283 -0.756 578 HG2 GLN 79 2HG GLN 79 6.277 -3.150 -2.544 579 HG3 GLN 79 1HG GLN 79 4.894 -3.997 -3.232 580 HE21 GLN 79 1HE2 GLN 79 4.678 -0.822 -1.760 581 HE22 GLN 79 2HE2 GLN 79 4.382 0.033 -3.228 582 H THR 80 H THR 80 6.883 -5.903 -1.429 583 HA THR 80 HA THR 80 9.195 -4.652 -0.168 584 HB THR 80 HB THR 80 9.056 -6.978 -2.112 585 HG1 THR 80 HG1 THR 80 8.158 -7.130 0.175 586 HG21 THR 80 3HG2 THR 80 11.361 -7.461 -1.352 587 HG22 THR 80 1HG2 THR 80 11.358 -5.958 -0.431 588 HG23 THR 80 2HG2 THR 80 11.248 -5.914 -2.192 589 H VAL 81 H VAL 81 9.737 -2.715 -1.091 590 HA VAL 81 HA VAL 81 9.731 -2.462 -4.015 591 HB VAL 81 HB VAL 81 10.248 -0.327 -1.929 592 HG11 VAL 81 1HG1 VAL 81 9.719 -0.103 -4.900 593 HG12 VAL 81 2HG1 VAL 81 11.249 0.217 -4.084 594 HG13 VAL 81 3HG1 VAL 81 9.855 1.252 -3.777 595 HG21 VAL 81 3HG2 VAL 81 7.959 0.435 -2.387 596 HG22 VAL 81 1HG2 VAL 81 7.970 -1.208 -1.748 597 HG23 VAL 81 2HG2 VAL 81 7.717 -0.935 -3.472 598 H THR 82 H THR 82 11.544 -3.182 -4.964 599 HA THR 82 HA THR 82 14.142 -2.893 -3.630 600 HB THR 82 HB THR 82 13.530 -4.302 -6.251 601 HG1 THR 82 HG1 THR 82 12.697 -5.795 -5.026 602 HG21 THR 82 3HG2 THR 82 15.916 -4.476 -4.395 603 HG22 THR 82 1HG2 THR 82 15.890 -3.692 -5.975 604 HG23 THR 82 2HG2 THR 82 15.672 -5.438 -5.853 605 H VAL 83 H VAL 83 15.080 -0.933 -3.954 606 HA VAL 83 HA VAL 83 14.913 0.381 -6.569 607 HB VAL 83 HB VAL 83 16.253 1.373 -4.040 608 HG11 VAL 83 1HG1 VAL 83 16.159 3.575 -5.121 609 HG12 VAL 83 2HG1 VAL 83 15.468 2.837 -6.566 610 HG13 VAL 83 3HG1 VAL 83 17.111 2.430 -6.068 611 HG21 VAL 83 3HG2 VAL 83 13.865 1.055 -3.664 612 HG22 VAL 83 1HG2 VAL 83 13.496 1.991 -5.113 613 HG23 VAL 83 2HG2 VAL 83 14.257 2.773 -3.727 614 H LYS 84 H LYS 84 16.506 0.266 -8.039 615 HA LYS 84 HA LYS 84 19.092 -0.916 -7.216 616 HB2 LYS 84 2HB LYS 84 17.678 -1.153 -9.885 617 HB3 LYS 84 1HB LYS 84 19.218 -1.896 -9.465 618 HG2 LYS 84 2HG LYS 84 18.129 -3.271 -7.783 619 HG3 LYS 84 1HG LYS 84 16.588 -2.481 -8.107 620 HD2 LYS 84 2HD LYS 84 16.582 -4.603 -9.220 621 HD3 LYS 84 1HD LYS 84 16.704 -3.345 -10.447 622 HE2 LYS 84 2HE LYS 84 19.113 -4.804 -9.365 623 HE3 LYS 84 1HE LYS 84 18.183 -5.394 -10.739 624 HZ1 LYS 84 3HZ LYS 84 18.642 -3.239 -11.841 625 HZ2 LYS 84 1HZ LYS 84 20.026 -4.159 -11.547 626 HZ3 LYS 84 2HZ LYS 84 19.675 -2.831 -10.565 627 H VAL 85 H VAL 85 21.014 -0.128 -8.108 628 HA VAL 85 HA VAL 85 20.926 2.666 -8.922 629 HB VAL 85 HB VAL 85 23.381 0.922 -8.580 630 HG11 VAL 85 1HG1 VAL 85 24.545 3.055 -8.225 631 HG12 VAL 85 2HG1 VAL 85 23.042 3.924 -8.539 632 HG13 VAL 85 3HG1 VAL 85 23.798 2.974 -9.820 633 HG21 VAL 85 3HG2 VAL 85 23.566 1.859 -6.320 634 HG22 VAL 85 1HG2 VAL 85 22.102 0.896 -6.513 635 HG23 VAL 85 2HG2 VAL 85 22.007 2.657 -6.528 636 H ARG 86 H ARG 86 21.539 3.506 -10.896 637 HA ARG 86 HA ARG 86 22.211 1.640 -13.057 638 HB2 ARG 86 2HB ARG 86 21.470 4.567 -12.988 639 HB3 ARG 86 1HB ARG 86 22.178 3.845 -14.426 640 HG2 ARG 86 2HG ARG 86 19.664 2.829 -13.109 641 HG3 ARG 86 1HG ARG 86 19.685 3.988 -14.438 642 HD2 ARG 86 2HD ARG 86 20.801 1.181 -14.505 643 HD3 ARG 86 1HD ARG 86 19.307 1.722 -15.270 644 HE ARG 86 HE ARG 86 21.021 3.340 -16.447 645 HH11 ARG 86 1HH1 ARG 86 21.353 -0.030 -15.820 646 HH12 ARG 86 2HH1 ARG 86 22.375 -0.284 -17.187 647 HH21 ARG 86 1HH2 ARG 86 22.325 2.999 -18.173 648 HH22 ARG 86 2HH2 ARG 86 22.926 1.410 -18.508 649 H GLU 87 H GLU 87 24.217 1.567 -14.024 650 HA GLU 87 HA GLU 87 26.419 2.513 -12.425 651 HB2 GLU 87 2HB GLU 87 26.427 1.023 -15.058 652 HB3 GLU 87 1HB GLU 87 27.809 1.234 -13.990 653 HG2 GLU 87 2HG GLU 87 26.740 -0.081 -12.268 654 HG3 GLU 87 1HG GLU 87 25.273 -0.211 -13.237 655 H GLU 88 H GLU 88 24.936 4.651 -13.593 656 HA GLU 88 HA GLU 88 26.963 5.863 -15.359 657 HB2 GLU 88 2HB GLU 88 23.968 6.327 -15.463 658 HB3 GLU 88 1HB GLU 88 25.168 7.077 -16.506 659 HG2 GLU 88 2HG GLU 88 25.692 4.937 -17.511 660 HG3 GLU 88 1HG GLU 88 24.592 4.116 -16.405 661 H VAL 89 H VAL 89 28.023 7.079 -13.795 662 HA VAL 89 HA VAL 89 26.637 8.565 -11.781 663 HB VAL 89 HB VAL 89 28.875 9.660 -11.378 664 HG11 VAL 89 1HG1 VAL 89 29.920 7.629 -10.477 665 HG12 VAL 89 2HG1 VAL 89 28.821 6.638 -11.438 666 HG13 VAL 89 3HG1 VAL 89 28.187 7.666 -10.152 667 HG21 VAL 89 3HG2 VAL 89 29.802 9.530 -13.630 668 HG22 VAL 89 1HG2 VAL 89 29.774 7.765 -13.562 669 HG23 VAL 89 2HG2 VAL 89 30.845 8.674 -12.496 670 H LYS 90 H LYS 90 25.105 9.666 -13.168 671 HA LYS 90 HA LYS 90 26.137 12.195 -14.241 672 HB2 LYS 90 2HB LYS 90 24.877 11.936 -16.322 673 HB3 LYS 90 1HB LYS 90 26.046 10.633 -16.143 674 HG2 LYS 90 2HG LYS 90 24.281 9.126 -15.392 675 HG3 LYS 90 1HG LYS 90 23.100 10.429 -15.518 676 HD2 LYS 90 2HD LYS 90 23.580 10.568 -17.948 677 HD3 LYS 90 1HD LYS 90 24.665 9.186 -17.783 678 HE2 LYS 90 2HE LYS 90 22.783 7.828 -16.948 679 HE3 LYS 90 1HE LYS 90 21.707 9.207 -17.172 680 HZ1 LYS 90 3HZ LYS 90 23.166 7.720 -19.278 681 HZ2 LYS 90 1HZ LYS 90 22.299 9.148 -19.555 682 HZ3 LYS 90 2HZ LYS 90 21.494 7.765 -19.027 683 H ASN 91 H ASN 91 24.910 13.863 -13.600 684 HA ASN 91 HA ASN 91 22.015 13.418 -13.147 685 HB2 ASN 91 2HB ASN 91 23.842 15.572 -12.034 686 HB3 ASN 91 1HB ASN 91 22.091 15.606 -11.881 687 HD21 ASN 91 1HD2 ASN 91 24.209 12.790 -11.584 688 HD22 ASN 91 2HD2 ASN 91 23.833 12.480 -9.933 689 H ASP 92 H ASP 92 20.540 14.964 -14.091 690 HA ASP 92 HA ASP 92 21.455 16.079 -16.587 691 HB2 ASP 92 2HB ASP 92 19.067 16.798 -16.841 692 HB3 ASP 92 1HB ASP 92 19.277 15.075 -16.559 693 H LYS 93 H LYS 93 22.740 17.224 -14.351 694 HA LYS 93 HA LYS 93 23.508 19.171 -13.548 695 HB2 LYS 93 2HB LYS 93 21.882 20.405 -15.785 696 HB3 LYS 93 1HB LYS 93 23.081 21.256 -14.817 697 HG2 LYS 93 2HG LYS 93 24.784 19.605 -15.618 698 HG3 LYS 93 1HG LYS 93 23.561 18.955 -16.709 699 HD2 LYS 93 2HD LYS 93 24.943 20.481 -17.943 700 HD3 LYS 93 1HD LYS 93 23.359 21.226 -17.731 701 HE2 LYS 93 2HE LYS 93 24.190 22.643 -15.978 702 HE3 LYS 93 1HE LYS 93 25.735 21.793 -15.957 703 HZ1 LYS 93 3HZ LYS 93 26.157 22.588 -18.205 704 HZ2 LYS 93 1HZ LYS 93 25.900 23.881 -17.144 705 HZ3 LYS 93 2HZ LYS 93 24.680 23.408 -18.212 706 HA PRO 94 HA PRO 94 20.718 20.551 -10.424 707 HB2 PRO 94 2HB PRO 94 21.645 23.133 -10.015 708 HB3 PRO 94 1HB PRO 94 22.363 21.681 -9.314 709 HG2 PRO 94 2HG PRO 94 23.188 23.214 -11.753 710 HG3 PRO 94 1HG PRO 94 24.199 22.500 -10.481 711 HD2 PRO 94 2HD PRO 94 23.912 21.294 -12.856 712 HD3 PRO 94 1HD PRO 94 23.988 20.345 -11.355 713 H ILE 95 H ILE 95 18.983 22.071 -9.970 714 HA ILE 95 HA ILE 95 17.474 22.722 -12.268 715 HB ILE 95 HB ILE 95 17.048 23.701 -9.434 716 HG12 ILE 95 2HG1 ILE 95 15.920 21.260 -10.844 717 HG13 ILE 95 1HG1 ILE 95 17.155 21.236 -9.591 718 HG21 ILE 95 1HG2 ILE 95 15.133 23.530 -11.768 719 HG22 ILE 95 2HG2 ILE 95 15.781 25.006 -11.050 720 HG23 ILE 95 3HG2 ILE 95 14.698 23.976 -10.117 721 HD11 ILE 95 3HD1 ILE 95 14.984 20.632 -8.703 722 HD12 ILE 95 1HD1 ILE 95 14.317 22.172 -9.245 723 HD13 ILE 95 2HD1 ILE 95 15.555 22.140 -7.989 724 H LEU 96 H LEU 96 18.563 24.138 -13.604 725 HA LEU 96 HA LEU 96 19.691 26.602 -12.668 726 HB2 LEU 96 2HB LEU 96 19.074 25.688 -15.486 727 HB3 LEU 96 1HB LEU 96 20.040 27.090 -15.062 728 HG LEU 96 HG LEU 96 20.746 24.207 -14.464 729 HD11 LEU 96 1HD1 LEU 96 20.959 24.773 -16.834 730 HD12 LEU 96 2HD1 LEU 96 22.537 24.518 -16.089 731 HD13 LEU 96 3HD1 LEU 96 21.972 26.157 -16.420 732 HD21 LEU 96 3HD2 LEU 96 21.571 25.660 -12.706 733 HD22 LEU 96 1HD2 LEU 96 22.279 26.749 -13.900 734 HD23 LEU 96 2HD2 LEU 96 22.912 25.113 -13.713 735 H GLU 97 H GLU 97 18.891 28.668 -12.806 736 HA GLU 97 HA GLU 97 15.990 28.879 -13.275 737 HB2 GLU 97 2HB GLU 97 17.038 29.429 -11.014 738 HB3 GLU 97 1HB GLU 97 17.755 30.834 -11.785 739 HG2 GLU 97 2HG GLU 97 14.788 30.310 -11.696 740 HG3 GLU 97 1HG GLU 97 15.650 31.245 -10.479 Start of MODEL 15 1 H1 MET 1 1H MET 1 -42.752 -6.963 11.106 2 H2 MET 1 2H MET 1 -42.055 -8.266 10.285 3 H3 MET 1 3H MET 1 -41.121 -6.914 10.672 4 HA MET 1 HA MET 1 -41.345 -7.356 13.014 5 HB2 MET 1 2HB MET 1 -42.408 -9.405 13.802 6 HB3 MET 1 1HB MET 1 -43.563 -8.433 12.900 7 HG2 MET 1 2HG MET 1 -42.094 -10.852 11.860 8 HG3 MET 1 1HG MET 1 -43.783 -10.798 12.372 9 HE1 MET 1 3HE MET 1 -42.748 -11.883 9.504 10 HE2 MET 1 1HE MET 1 -44.007 -11.210 8.470 11 HE3 MET 1 2HE MET 1 -44.431 -11.906 10.033 12 H GLY 2 H GLY 2 -40.076 -9.114 14.178 13 HA2 GLY 2 2HA GLY 2 -38.432 -10.756 14.264 14 HA3 GLY 2 1HA GLY 2 -38.539 -10.934 12.520 15 H ASN 3 H ASN 3 -36.080 -11.025 13.576 16 HA ASN 3 HA ASN 3 -34.901 -8.389 12.934 17 HB2 ASN 3 2HB ASN 3 -33.791 -10.587 14.703 18 HB3 ASN 3 1HB ASN 3 -32.922 -9.121 14.264 19 HD21 ASN 3 1HD2 ASN 3 -33.672 -10.071 16.889 20 HD22 ASN 3 2HD2 ASN 3 -34.645 -8.832 17.595 21 H GLY 4 H GLY 4 -34.311 -8.467 10.831 22 HA2 GLY 4 2HA GLY 4 -33.310 -10.825 9.547 23 HA3 GLY 4 1HA GLY 4 -33.307 -9.197 8.884 24 H GLU 5 H GLU 5 -31.387 -11.679 10.068 25 HA GLU 5 HA GLU 5 -29.275 -10.337 11.326 26 HB2 GLU 5 2HB GLU 5 -29.538 -12.769 11.435 27 HB3 GLU 5 1HB GLU 5 -29.220 -12.898 9.710 28 HG2 GLU 5 2HG GLU 5 -26.947 -12.199 10.002 29 HG3 GLU 5 1HG GLU 5 -27.231 -11.808 11.697 30 H THR 6 H THR 6 -28.026 -8.795 10.525 31 HA THR 6 HA THR 6 -27.459 -8.598 7.664 32 HB THR 6 HB THR 6 -26.359 -6.460 8.216 33 HG1 THR 6 HG1 THR 6 -26.735 -5.805 10.549 34 HG21 THR 6 3HG2 THR 6 -28.774 -6.421 7.830 35 HG22 THR 6 1HG2 THR 6 -28.324 -5.232 9.055 36 HG23 THR 6 2HG2 THR 6 -29.064 -6.759 9.536 37 H SER 7 H SER 7 -25.011 -7.767 7.306 38 HA SER 7 HA SER 7 -23.178 -9.565 8.747 39 HB2 SER 7 2HB SER 7 -23.334 -9.357 5.724 40 HB3 SER 7 1HB SER 7 -22.150 -10.295 6.629 41 HG SER 7 HG SER 7 -24.074 -11.430 5.775 42 H ASP 8 H ASP 8 -21.277 -8.595 9.276 43 HA ASP 8 HA ASP 8 -20.523 -6.136 7.863 44 HB2 ASP 8 2HB ASP 8 -20.432 -5.987 10.289 45 HB3 ASP 8 1HB ASP 8 -19.384 -7.400 10.364 46 H LEU 9 H LEU 9 -19.364 -6.401 6.104 47 HA LEU 9 HA LEU 9 -17.615 -8.712 5.786 48 HB2 LEU 9 2HB LEU 9 -18.357 -6.528 3.832 49 HB3 LEU 9 1HB LEU 9 -17.426 -7.966 3.451 50 HG LEU 9 HG LEU 9 -20.320 -7.928 4.341 51 HD11 LEU 9 1HD1 LEU 9 -20.037 -7.094 2.069 52 HD12 LEU 9 2HD1 LEU 9 -20.817 -8.675 2.071 53 HD13 LEU 9 3HD1 LEU 9 -19.110 -8.534 1.644 54 HD21 LEU 9 3HD2 LEU 9 -18.559 -10.244 3.517 55 HD22 LEU 9 1HD2 LEU 9 -20.295 -10.332 3.829 56 HD23 LEU 9 2HD2 LEU 9 -19.184 -9.926 5.137 57 H GLU 10 H GLU 10 -15.433 -8.628 5.761 58 HA GLU 10 HA GLU 10 -14.083 -6.181 6.484 59 HB2 GLU 10 2HB GLU 10 -12.040 -7.583 6.448 60 HB3 GLU 10 1HB GLU 10 -13.315 -8.262 7.451 61 HG2 GLU 10 2HG GLU 10 -13.916 -9.745 5.514 62 HG3 GLU 10 1HG GLU 10 -12.456 -9.166 4.711 63 HA PRO 11 HA PRO 11 -13.430 -4.729 2.413 64 HB2 PRO 11 2HB PRO 11 -11.261 -3.134 2.724 65 HB3 PRO 11 1HB PRO 11 -12.842 -2.743 3.412 66 HG2 PRO 11 2HG PRO 11 -10.463 -3.997 4.748 67 HG3 PRO 11 1HG PRO 11 -11.510 -2.691 5.335 68 HD2 PRO 11 2HD PRO 11 -11.805 -5.258 6.146 69 HD3 PRO 11 1HD PRO 11 -13.183 -4.149 5.984 70 H LYS 12 H LYS 12 -12.404 -5.206 0.526 71 HA LYS 12 HA LYS 12 -10.188 -7.068 0.542 72 HB2 LYS 12 2HB LYS 12 -11.909 -7.438 -1.111 73 HB3 LYS 12 1HB LYS 12 -11.757 -5.793 -1.711 74 HG2 LYS 12 2HG LYS 12 -10.717 -7.427 -3.219 75 HG3 LYS 12 1HG LYS 12 -9.542 -6.273 -2.585 76 HD2 LYS 12 2HD LYS 12 -8.832 -7.950 -0.913 77 HD3 LYS 12 1HD LYS 12 -9.983 -9.101 -1.596 78 HE2 LYS 12 2HE LYS 12 -7.785 -9.579 -2.461 79 HE3 LYS 12 1HE LYS 12 -8.784 -8.942 -3.764 80 HZ1 LYS 12 3HZ LYS 12 -6.568 -7.985 -3.791 81 HZ2 LYS 12 1HZ LYS 12 -6.767 -7.398 -2.217 82 HZ3 LYS 12 2HZ LYS 12 -7.718 -6.787 -3.476 83 H LEU 13 H LEU 13 -8.287 -6.160 1.109 84 HA LEU 13 HA LEU 13 -7.455 -3.604 -0.030 85 HB2 LEU 13 2HB LEU 13 -6.983 -4.118 2.341 86 HB3 LEU 13 1HB LEU 13 -6.018 -5.496 1.851 87 HG LEU 13 HG LEU 13 -4.403 -3.979 0.758 88 HD11 LEU 13 1HD1 LEU 13 -5.924 -2.156 0.187 89 HD12 LEU 13 2HD1 LEU 13 -4.543 -1.564 1.107 90 HD13 LEU 13 3HD1 LEU 13 -6.109 -1.758 1.896 91 HD21 LEU 13 3HD2 LEU 13 -4.986 -3.307 3.648 92 HD22 LEU 13 1HD2 LEU 13 -3.461 -3.011 2.810 93 HD23 LEU 13 2HD2 LEU 13 -4.019 -4.662 3.065 94 H THR 14 H THR 14 -6.080 -3.395 -1.715 95 HA THR 14 HA THR 14 -4.827 -5.842 -2.803 96 HB THR 14 HB THR 14 -5.975 -3.517 -4.372 97 HG1 THR 14 HG1 THR 14 -7.225 -5.516 -5.180 98 HG21 THR 14 3HG2 THR 14 -5.449 -4.890 -6.362 99 HG22 THR 14 1HG2 THR 14 -4.618 -6.050 -5.326 100 HG23 THR 14 2HG2 THR 14 -3.995 -4.407 -5.489 101 H VAL 15 H VAL 15 -2.726 -5.739 -2.490 102 HA VAL 15 HA VAL 15 -1.278 -3.221 -3.025 103 HB VAL 15 HB VAL 15 -0.707 -5.208 -0.800 104 HG11 VAL 15 1HG1 VAL 15 1.371 -4.325 -1.755 105 HG12 VAL 15 2HG1 VAL 15 1.103 -3.701 -0.129 106 HG13 VAL 15 3HG1 VAL 15 0.782 -2.678 -1.530 107 HG21 VAL 15 3HG2 VAL 15 -2.593 -3.761 -0.278 108 HG22 VAL 15 1HG2 VAL 15 -1.638 -2.335 -0.686 109 HG23 VAL 15 2HG2 VAL 15 -1.198 -3.323 0.707 110 HA PRO 16 HA PRO 16 1.027 -5.893 -5.807 111 HB2 PRO 16 2HB PRO 16 3.169 -4.241 -6.241 112 HB3 PRO 16 1HB PRO 16 1.602 -4.037 -7.031 113 HG2 PRO 16 2HG PRO 16 2.723 -2.611 -4.653 114 HG3 PRO 16 1HG PRO 16 1.798 -1.958 -6.017 115 HD2 PRO 16 2HD PRO 16 0.682 -2.454 -3.599 116 HD3 PRO 16 1HD PRO 16 -0.223 -2.608 -5.116 117 H VAL 17 H VAL 17 2.324 -7.566 -5.310 118 HA VAL 17 HA VAL 17 3.400 -7.835 -2.714 119 HB VAL 17 HB VAL 17 2.561 -9.720 -4.086 120 HG11 VAL 17 1HG1 VAL 17 3.506 -9.112 -6.239 121 HG12 VAL 17 2HG1 VAL 17 4.019 -10.736 -5.781 122 HG13 VAL 17 3HG1 VAL 17 5.138 -9.382 -5.625 123 HG21 VAL 17 3HG2 VAL 17 4.257 -11.358 -3.399 124 HG22 VAL 17 1HG2 VAL 17 3.946 -10.172 -2.130 125 HG23 VAL 17 2HG2 VAL 17 5.404 -10.048 -3.113 126 H GLY 18 H GLY 18 4.837 -6.658 -5.658 127 HA2 GLY 18 2HA GLY 18 7.190 -5.819 -4.263 128 HA3 GLY 18 1HA GLY 18 7.524 -7.180 -5.320 129 H ALA 19 H ALA 19 8.593 -4.501 -5.474 130 HA ALA 19 HA ALA 19 8.041 -4.017 -8.297 131 HB1 ALA 19 3HB ALA 19 7.769 -1.817 -6.244 132 HB2 ALA 19 1HB ALA 19 6.454 -2.534 -7.175 133 HB3 ALA 19 2HB ALA 19 7.711 -1.606 -7.995 134 H THR 20 H THR 20 9.711 -2.708 -9.333 135 HA THR 20 HA THR 20 12.177 -2.384 -7.740 136 HB THR 20 HB THR 20 12.080 -3.662 -10.491 137 HG1 THR 20 HG1 THR 20 12.125 -5.525 -9.479 138 HG21 THR 20 3HG2 THR 20 14.487 -4.043 -10.164 139 HG22 THR 20 1HG2 THR 20 14.419 -3.164 -8.635 140 HG23 THR 20 2HG2 THR 20 14.106 -2.322 -10.152 141 H ILE 21 H ILE 21 13.107 -0.452 -8.019 142 HA ILE 21 HA ILE 21 12.608 1.047 -10.516 143 HB ILE 21 HB ILE 21 12.490 3.152 -9.197 144 HG12 ILE 21 2HG1 ILE 21 12.324 1.288 -6.809 145 HG13 ILE 21 1HG1 ILE 21 13.660 2.376 -7.170 146 HG21 ILE 21 1HG2 ILE 21 10.371 1.127 -8.458 147 HG22 ILE 21 2HG2 ILE 21 10.440 2.043 -9.962 148 HG23 ILE 21 3HG2 ILE 21 10.188 2.881 -8.433 149 HD11 ILE 21 3HD1 ILE 21 10.839 3.184 -6.490 150 HD12 ILE 21 1HD1 ILE 21 12.157 4.291 -6.880 151 HD13 ILE 21 2HD1 ILE 21 12.249 3.286 -5.435 152 H HIS 22 H HIS 22 14.163 3.103 -10.492 153 HA HIS 22 HA HIS 22 16.844 2.114 -9.724 154 HB2 HIS 22 2HB HIS 22 16.019 3.744 -12.132 155 HB3 HIS 22 1HB HIS 22 17.694 3.461 -11.669 156 HD1 HIS 22 HD1 HIS 22 14.846 1.928 -13.433 157 HD2 HIS 22 HD2 HIS 22 18.539 0.727 -11.942 158 HE1 HIS 22 HE1 HIS 22 15.295 -0.310 -14.474 159 HE2 HIS 22 HE2 HIS 22 17.614 -0.912 -13.724 160 H VAL 23 H VAL 23 18.505 3.814 -9.438 161 HA VAL 23 HA VAL 23 17.698 5.879 -7.672 162 HB VAL 23 HB VAL 23 20.327 5.459 -9.125 163 HG11 VAL 23 1HG1 VAL 23 19.691 7.337 -6.842 164 HG12 VAL 23 2HG1 VAL 23 20.128 7.800 -8.485 165 HG13 VAL 23 3HG1 VAL 23 21.308 6.987 -7.458 166 HG21 VAL 23 3HG2 VAL 23 19.723 3.650 -7.587 167 HG22 VAL 23 1HG2 VAL 23 19.490 4.821 -6.289 168 HG23 VAL 23 2HG2 VAL 23 21.097 4.569 -6.972 169 H GLY 24 H GLY 24 16.689 7.691 -8.211 170 HA2 GLY 24 2HA GLY 24 16.571 9.774 -9.447 171 HA3 GLY 24 1HA GLY 24 17.184 8.923 -10.857 172 H ASP 25 H ASP 25 15.078 6.820 -9.536 173 HA ASP 25 HA ASP 25 13.018 7.308 -11.472 174 HB2 ASP 25 2HB ASP 25 13.959 5.090 -10.207 175 HB3 ASP 25 1HB ASP 25 12.523 5.401 -9.244 176 H SER 26 H SER 26 10.644 6.724 -10.227 177 HA SER 26 HA SER 26 10.275 8.437 -7.901 178 HB2 SER 26 2HB SER 26 8.873 8.995 -10.534 179 HB3 SER 26 1HB SER 26 8.393 9.699 -8.991 180 HG SER 26 HG SER 26 10.591 10.550 -8.881 181 H PHE 27 H PHE 27 8.563 7.776 -6.615 182 HA PHE 27 HA PHE 27 6.826 5.633 -7.638 183 HB2 PHE 27 2HB PHE 27 8.913 4.682 -6.550 184 HB3 PHE 27 1HB PHE 27 8.346 5.372 -5.035 185 HD1 PHE 27 HD1 PHE 27 6.378 4.449 -3.905 186 HD2 PHE 27 HD2 PHE 27 7.861 2.757 -7.523 187 HE1 PHE 27 HE1 PHE 27 5.036 2.428 -3.506 188 HE2 PHE 27 HE2 PHE 27 6.519 0.737 -7.125 189 HZ PHE 27 HZ PHE 27 5.106 0.573 -5.117 190 H VAL 28 H VAL 28 4.748 5.911 -7.018 191 HA VAL 28 HA VAL 28 4.184 7.666 -4.704 192 HB VAL 28 HB VAL 28 2.408 7.082 -7.089 193 HG11 VAL 28 1HG1 VAL 28 1.104 7.478 -5.063 194 HG12 VAL 28 2HG1 VAL 28 0.946 8.833 -6.182 195 HG13 VAL 28 3HG1 VAL 28 1.990 8.977 -4.767 196 HG21 VAL 28 3HG2 VAL 28 3.932 9.586 -6.355 197 HG22 VAL 28 1HG2 VAL 28 2.808 9.425 -7.705 198 HG23 VAL 28 2HG2 VAL 28 4.308 8.496 -7.689 199 HA PRO 29 HA PRO 29 2.923 3.649 -2.851 200 HB2 PRO 29 2HB PRO 29 2.269 5.610 -0.686 201 HB3 PRO 29 1HB PRO 29 3.109 4.056 -0.586 202 HG2 PRO 29 2HG PRO 29 4.482 6.325 -0.468 203 HG3 PRO 29 1HG PRO 29 5.109 4.938 -1.375 204 HD2 PRO 29 2HD PRO 29 3.849 7.449 -2.392 205 HD3 PRO 29 1HD PRO 29 5.183 6.497 -3.074 206 H MET 30 H MET 30 1.034 6.679 -2.617 207 HA MET 30 HA MET 30 -1.426 5.299 -2.028 208 HB2 MET 30 2HB MET 30 -0.810 8.191 -2.653 209 HB3 MET 30 1HB MET 30 -2.427 7.612 -2.283 210 HG2 MET 30 2HG MET 30 -0.341 6.901 -0.320 211 HG3 MET 30 1HG MET 30 -0.726 8.614 -0.454 212 HE1 MET 30 3HE MET 30 -2.174 5.015 0.314 213 HE2 MET 30 1HE MET 30 -3.230 5.552 -0.996 214 HE3 MET 30 2HE MET 30 -3.866 5.384 0.640 215 H ALA 31 H ALA 31 0.166 5.458 -4.886 216 HA ALA 31 HA ALA 31 -2.320 5.602 -6.481 217 HB1 ALA 31 3HB ALA 31 -0.904 5.965 -8.427 218 HB2 ALA 31 1HB ALA 31 0.542 5.785 -7.431 219 HB3 ALA 31 2HB ALA 31 -0.545 7.150 -7.169 220 H GLU 32 H GLU 32 -0.062 3.403 -5.210 221 HA GLU 32 HA GLU 32 -0.424 1.446 -7.367 222 HB2 GLU 32 2HB GLU 32 1.357 1.307 -4.926 223 HB3 GLU 32 1HB GLU 32 1.360 0.182 -6.276 224 HG2 GLU 32 2HG GLU 32 2.096 3.104 -6.417 225 HG3 GLU 32 1HG GLU 32 3.226 1.753 -6.384 226 H VAL 33 H VAL 33 -2.008 2.192 -4.526 227 HA VAL 33 HA VAL 33 -2.724 -0.633 -3.992 228 HB VAL 33 HB VAL 33 -2.541 1.601 -1.952 229 HG11 VAL 33 1HG1 VAL 33 -4.266 -0.030 -1.376 230 HG12 VAL 33 2HG1 VAL 33 -2.892 -0.163 -0.282 231 HG13 VAL 33 3HG1 VAL 33 -3.108 -1.345 -1.572 232 HG21 VAL 33 3HG2 VAL 33 -0.728 -0.769 -2.441 233 HG22 VAL 33 1HG2 VAL 33 -0.606 0.346 -1.079 234 HG23 VAL 33 2HG2 VAL 33 -0.335 0.930 -2.718 235 H LEU 34 H LEU 34 -4.886 -1.036 -3.206 236 HA LEU 34 HA LEU 34 -6.878 1.082 -3.453 237 HB2 LEU 34 2HB LEU 34 -6.370 0.060 -5.751 238 HB3 LEU 34 1HB LEU 34 -7.120 -1.405 -5.157 239 HG LEU 34 HG LEU 34 -8.624 1.210 -5.178 240 HD11 LEU 34 1HD1 LEU 34 -9.540 0.612 -7.359 241 HD12 LEU 34 2HD1 LEU 34 -8.470 -0.790 -7.439 242 HD13 LEU 34 3HD1 LEU 34 -7.793 0.840 -7.454 243 HD21 LEU 34 3HD2 LEU 34 -9.511 -1.679 -5.265 244 HD22 LEU 34 1HD2 LEU 34 -10.579 -0.274 -5.317 245 HD23 LEU 34 2HD2 LEU 34 -9.614 -0.597 -3.878 246 H ALA 35 H ALA 35 -8.825 0.611 -2.324 247 HA ALA 35 HA ALA 35 -9.138 -2.062 -1.145 248 HB1 ALA 35 3HB ALA 35 -9.345 -1.228 1.124 249 HB2 ALA 35 1HB ALA 35 -9.050 0.422 0.571 250 HB3 ALA 35 2HB ALA 35 -7.773 -0.787 0.458 251 H ILE 36 H ILE 36 -11.222 -2.709 -1.001 252 HA ILE 36 HA ILE 36 -13.376 -0.688 -1.075 253 HB ILE 36 HB ILE 36 -13.276 -3.164 -2.823 254 HG12 ILE 36 2HG1 ILE 36 -11.844 -1.301 -3.632 255 HG13 ILE 36 1HG1 ILE 36 -13.179 -1.655 -4.723 256 HG21 ILE 36 1HG2 ILE 36 -15.534 -2.756 -2.061 257 HG22 ILE 36 2HG2 ILE 36 -15.399 -2.331 -3.768 258 HG23 ILE 36 3HG2 ILE 36 -15.425 -1.061 -2.544 259 HD11 ILE 36 3HD1 ILE 36 -13.047 0.623 -2.760 260 HD12 ILE 36 1HD1 ILE 36 -14.403 0.269 -3.832 261 HD13 ILE 36 2HD1 ILE 36 -12.840 0.730 -4.507 262 H ASP 37 H ASP 37 -15.039 -1.105 0.316 263 HA ASP 37 HA ASP 37 -15.474 -3.895 1.213 264 HB2 ASP 37 2HB ASP 37 -14.923 -2.221 3.037 265 HB3 ASP 37 1HB ASP 37 -16.416 -1.385 2.642 266 H LYS 38 H LYS 38 -17.584 -4.733 1.028 267 HA LYS 38 HA LYS 38 -19.126 -3.617 -1.107 268 HB2 LYS 38 2HB LYS 38 -19.529 -6.006 0.687 269 HB3 LYS 38 1HB LYS 38 -20.700 -5.551 -0.545 270 HG2 LYS 38 2HG LYS 38 -19.030 -5.819 -2.281 271 HG3 LYS 38 1HG LYS 38 -17.797 -6.177 -1.072 272 HD2 LYS 38 2HD LYS 38 -18.854 -8.235 -0.485 273 HD3 LYS 38 1HD LYS 38 -20.297 -7.832 -1.418 274 HE2 LYS 38 2HE LYS 38 -18.843 -9.481 -2.553 275 HE3 LYS 38 1HE LYS 38 -19.063 -8.003 -3.488 276 HZ1 LYS 38 3HZ LYS 38 -16.886 -7.248 -2.597 277 HZ2 LYS 38 1HZ LYS 38 -16.782 -8.624 -3.574 278 HZ3 LYS 38 2HZ LYS 38 -16.682 -8.775 -1.895 279 H GLU 39 H GLU 39 -19.395 -3.507 2.380 280 HA GLU 39 HA GLU 39 -22.144 -2.561 2.334 281 HB2 GLU 39 2HB GLU 39 -21.942 -2.425 4.739 282 HB3 GLU 39 1HB GLU 39 -21.231 -3.940 4.189 283 HG2 GLU 39 2HG GLU 39 -18.995 -2.732 4.236 284 HG3 GLU 39 1HG GLU 39 -19.826 -1.455 5.116 285 H ASP 40 H ASP 40 -18.936 -1.127 2.903 286 HA ASP 40 HA ASP 40 -20.127 1.495 3.408 287 HB2 ASP 40 2HB ASP 40 -18.247 0.439 4.818 288 HB3 ASP 40 1HB ASP 40 -17.176 0.830 3.476 289 H GLY 41 H GLY 41 -18.233 -0.176 0.975 290 HA2 GLY 41 2HA GLY 41 -18.403 0.519 -1.326 291 HA3 GLY 41 1HA GLY 41 -18.502 2.185 -0.779 292 H ASP 42 H ASP 42 -16.768 3.142 -1.689 293 HA ASP 42 HA ASP 42 -14.242 1.854 -2.025 294 HB2 ASP 42 2HB ASP 42 -14.800 3.540 -3.609 295 HB3 ASP 42 1HB ASP 42 -15.160 4.712 -2.346 296 H LEU 43 H LEU 43 -12.644 1.616 -0.595 297 HA LEU 43 HA LEU 43 -12.522 3.467 1.709 298 HB2 LEU 43 2HB LEU 43 -11.649 0.573 1.653 299 HB3 LEU 43 1HB LEU 43 -11.542 1.656 3.029 300 HG LEU 43 HG LEU 43 -14.044 0.525 1.772 301 HD11 LEU 43 1HD1 LEU 43 -12.821 -0.956 3.289 302 HD12 LEU 43 2HD1 LEU 43 -14.382 -0.479 3.956 303 HD13 LEU 43 3HD1 LEU 43 -12.900 0.273 4.552 304 HD21 LEU 43 3HD2 LEU 43 -13.886 2.528 4.025 305 HD22 LEU 43 1HD2 LEU 43 -15.342 1.776 3.381 306 HD23 LEU 43 2HD2 LEU 43 -14.413 2.888 2.381 307 H THR 44 H THR 44 -11.060 2.976 -1.114 308 HA THR 44 HA THR 44 -8.334 2.600 -0.597 309 HB THR 44 HB THR 44 -9.533 4.320 -2.787 310 HG1 THR 44 HG1 THR 44 -10.341 2.413 -3.305 311 HG21 THR 44 3HG2 THR 44 -6.845 2.943 -2.570 312 HG22 THR 44 1HG2 THR 44 -7.131 4.682 -2.580 313 HG23 THR 44 2HG2 THR 44 -7.464 3.725 -4.023 314 H SER 45 H SER 45 -10.245 5.586 -0.615 315 HA SER 45 HA SER 45 -8.130 7.380 -0.058 316 HB2 SER 45 2HB SER 45 -10.259 8.199 -0.885 317 HB3 SER 45 1HB SER 45 -11.095 7.579 0.538 318 HG SER 45 HG SER 45 -10.143 9.964 0.253 319 H LYS 46 H LYS 46 -9.535 5.001 1.909 320 HA LYS 46 HA LYS 46 -8.890 6.382 4.416 321 HB2 LYS 46 2HB LYS 46 -10.365 3.793 3.918 322 HB3 LYS 46 1HB LYS 46 -10.085 4.508 5.502 323 HG2 LYS 46 2HG LYS 46 -11.371 6.499 4.798 324 HG3 LYS 46 1HG LYS 46 -11.711 5.702 3.258 325 HD2 LYS 46 2HD LYS 46 -12.813 3.871 4.467 326 HD3 LYS 46 1HD LYS 46 -12.486 4.687 5.993 327 HE2 LYS 46 2HE LYS 46 -13.874 6.576 5.290 328 HE3 LYS 46 1HE LYS 46 -14.183 5.786 3.744 329 HZ1 LYS 46 3HZ LYS 46 -15.977 5.546 5.433 330 HZ2 LYS 46 1HZ LYS 46 -14.928 4.600 6.362 331 HZ3 LYS 46 2HZ LYS 46 -15.406 4.077 4.825 332 H ILE 47 H ILE 47 -7.127 4.699 2.309 333 HA ILE 47 HA ILE 47 -5.915 2.719 4.030 334 HB ILE 47 HB ILE 47 -5.014 3.751 1.326 335 HG12 ILE 47 2HG1 ILE 47 -6.498 1.207 2.057 336 HG13 ILE 47 1HG1 ILE 47 -7.231 2.626 1.315 337 HG21 ILE 47 1HG2 ILE 47 -3.634 1.700 1.243 338 HG22 ILE 47 2HG2 ILE 47 -4.085 1.347 2.912 339 HG23 ILE 47 3HG2 ILE 47 -3.141 2.791 2.539 340 HD11 ILE 47 3HD1 ILE 47 -5.794 2.329 -0.646 341 HD12 ILE 47 1HD1 ILE 47 -6.804 0.918 -0.336 342 HD13 ILE 47 2HD1 ILE 47 -5.097 0.889 0.097 343 H LYS 48 H LYS 48 -4.525 3.235 5.589 344 HA LYS 48 HA LYS 48 -2.923 5.668 5.462 345 HB2 LYS 48 2HB LYS 48 -4.064 5.144 7.555 346 HB3 LYS 48 1HB LYS 48 -3.242 3.593 7.645 347 HG2 LYS 48 2HG LYS 48 -1.143 4.628 8.052 348 HG3 LYS 48 1HG LYS 48 -1.775 6.226 7.653 349 HD2 LYS 48 2HD LYS 48 -2.652 4.535 10.004 350 HD3 LYS 48 1HD LYS 48 -1.526 5.894 10.090 351 HE2 LYS 48 2HE LYS 48 -3.270 7.406 9.298 352 HE3 LYS 48 1HE LYS 48 -4.395 6.056 9.156 353 HZ1 LYS 48 3HZ LYS 48 -4.763 7.289 11.183 354 HZ2 LYS 48 1HZ LYS 48 -3.166 7.033 11.676 355 HZ3 LYS 48 2HZ LYS 48 -4.232 5.727 11.545 356 H VAL 49 H VAL 49 -0.724 5.736 5.209 357 HA VAL 49 HA VAL 49 0.593 3.191 4.494 358 HB VAL 49 HB VAL 49 1.348 5.992 3.616 359 HG11 VAL 49 1HG1 VAL 49 2.362 3.301 2.683 360 HG12 VAL 49 2HG1 VAL 49 3.257 4.465 3.660 361 HG13 VAL 49 3HG1 VAL 49 2.813 4.867 2.000 362 HG21 VAL 49 3HG2 VAL 49 -0.793 5.359 2.653 363 HG22 VAL 49 1HG2 VAL 49 -0.115 3.828 2.095 364 HG23 VAL 49 2HG2 VAL 49 0.460 5.349 1.410 365 H ASP 50 H ASP 50 2.497 2.603 5.432 366 HA ASP 50 HA ASP 50 3.927 4.558 7.110 367 HB2 ASP 50 2HB ASP 50 2.660 3.062 8.600 368 HB3 ASP 50 1HB ASP 50 3.399 1.661 7.831 369 H GLY 51 H GLY 51 6.051 4.697 6.640 370 HA2 GLY 51 2HA GLY 51 8.176 3.802 5.967 371 HA3 GLY 51 1HA GLY 51 7.335 2.516 5.114 372 H GLU 52 H GLU 52 9.399 4.247 4.036 373 HA GLU 52 HA GLU 52 7.980 5.242 1.707 374 HB2 GLU 52 2HB GLU 52 7.880 7.133 3.313 375 HB3 GLU 52 1HB GLU 52 9.636 7.149 3.381 376 HG2 GLU 52 2HG GLU 52 9.803 7.843 1.114 377 HG3 GLU 52 1HG GLU 52 8.084 7.562 0.838 378 H VAL 53 H VAL 53 9.257 5.431 -0.121 379 HA VAL 53 HA VAL 53 11.886 4.131 0.064 380 HB VAL 53 HB VAL 53 10.107 4.580 -2.350 381 HG11 VAL 53 1HG1 VAL 53 12.446 4.467 -2.995 382 HG12 VAL 53 2HG1 VAL 53 11.606 3.002 -3.504 383 HG13 VAL 53 3HG1 VAL 53 12.653 2.971 -2.085 384 HG21 VAL 53 3HG2 VAL 53 9.686 2.148 -2.224 385 HG22 VAL 53 1HG2 VAL 53 9.087 3.011 -0.808 386 HG23 VAL 53 2HG2 VAL 53 10.586 2.088 -0.709 387 H ASP 54 H ASP 54 13.752 5.207 -0.414 388 HA ASP 54 HA ASP 54 13.560 7.820 -1.746 389 HB2 ASP 54 2HB ASP 54 15.934 8.121 -1.089 390 HB3 ASP 54 1HB ASP 54 14.876 7.856 0.289 391 H THR 55 H THR 55 14.853 8.300 -3.577 392 HA THR 55 HA THR 55 15.480 5.920 -5.211 393 HB THR 55 HB THR 55 15.163 7.365 -7.181 394 HG1 THR 55 HG1 THR 55 14.224 9.502 -6.752 395 HG21 THR 55 3HG2 THR 55 12.731 7.706 -6.976 396 HG22 THR 55 1HG2 THR 55 12.850 7.495 -5.228 397 HG23 THR 55 2HG2 THR 55 13.222 6.149 -6.307 398 H THR 56 H THR 56 17.309 7.210 -3.261 399 HA THR 56 HA THR 56 19.453 8.068 -5.116 400 HB THR 56 HB THR 56 18.894 9.875 -3.595 401 HG1 THR 56 HG1 THR 56 20.953 10.314 -3.192 402 HG21 THR 56 3HG2 THR 56 19.134 9.667 -1.173 403 HG22 THR 56 1HG2 THR 56 19.531 7.957 -1.344 404 HG23 THR 56 2HG2 THR 56 17.919 8.535 -1.769 405 H LYS 57 H LYS 57 18.602 5.852 -2.541 406 HA LYS 57 HA LYS 57 21.347 4.753 -2.578 407 HB2 LYS 57 2HB LYS 57 20.560 5.745 -0.413 408 HB3 LYS 57 1HB LYS 57 19.284 4.539 -0.371 409 HG2 LYS 57 2HG LYS 57 20.875 2.759 -0.156 410 HG3 LYS 57 1HG LYS 57 22.223 3.868 -0.420 411 HD2 LYS 57 2HD LYS 57 21.693 5.038 1.659 412 HD3 LYS 57 1HD LYS 57 20.298 3.988 1.914 413 HE2 LYS 57 2HE LYS 57 23.181 3.074 1.811 414 HE3 LYS 57 1HE LYS 57 22.245 3.336 3.283 415 HZ1 LYS 57 3HZ LYS 57 22.254 1.015 2.724 416 HZ2 LYS 57 1HZ LYS 57 21.672 1.334 1.170 417 HZ3 LYS 57 2HZ LYS 57 20.689 1.618 2.512 418 H ALA 58 H ALA 58 21.557 2.778 -3.476 419 HA ALA 58 HA ALA 58 19.286 1.347 -4.445 420 HB1 ALA 58 3HB ALA 58 21.414 1.342 -5.634 421 HB2 ALA 58 1HB ALA 58 20.893 -0.297 -5.258 422 HB3 ALA 58 2HB ALA 58 22.168 0.464 -4.305 423 H GLY 59 H GLY 59 17.961 0.483 -2.950 424 HA2 GLY 59 2HA GLY 59 18.852 -1.848 -1.507 425 HA3 GLY 59 1HA GLY 59 18.459 -0.499 -0.451 426 H THR 60 H THR 60 17.069 -2.813 -0.181 427 HA THR 60 HA THR 60 14.524 -2.469 -1.596 428 HB THR 60 HB THR 60 15.450 -4.659 0.280 429 HG1 THR 60 HG1 THR 60 14.818 -4.855 -2.495 430 HG21 THR 60 3HG2 THR 60 13.399 -5.852 -0.424 431 HG22 THR 60 1HG2 THR 60 12.855 -4.390 -1.247 432 HG23 THR 60 2HG2 THR 60 13.050 -4.395 0.508 433 H TYR 61 H TYR 61 12.906 -1.364 -0.745 434 HA TYR 61 HA TYR 61 12.777 -0.982 2.186 435 HB2 TYR 61 2HB TYR 61 11.695 0.873 0.046 436 HB3 TYR 61 1HB TYR 61 11.735 1.177 1.779 437 HD1 TYR 61 HD1 TYR 61 14.050 1.326 2.896 438 HD2 TYR 61 HD2 TYR 61 13.481 1.569 -1.318 439 HE1 TYR 61 HE1 TYR 61 16.243 2.408 2.661 440 HE2 TYR 61 HE2 TYR 61 15.674 2.658 -1.554 441 HH TYR 61 HH TYR 61 17.234 3.972 -0.168 442 H VAL 62 H VAL 62 11.029 -1.849 3.160 443 HA VAL 62 HA VAL 62 8.850 -2.881 1.493 444 HB VAL 62 HB VAL 62 9.423 -3.429 4.415 445 HG11 VAL 62 1HG1 VAL 62 7.894 -5.329 4.125 446 HG12 VAL 62 2HG1 VAL 62 7.573 -4.817 2.469 447 HG13 VAL 62 3HG1 VAL 62 7.081 -3.794 3.818 448 HG21 VAL 62 3HG2 VAL 62 11.249 -4.246 3.035 449 HG22 VAL 62 1HG2 VAL 62 10.110 -5.057 1.961 450 HG23 VAL 62 2HG2 VAL 62 10.293 -5.604 3.627 451 H LEU 63 H LEU 63 7.171 -1.570 1.211 452 HA LEU 63 HA LEU 63 6.487 0.473 3.177 453 HB2 LEU 63 2HB LEU 63 5.198 -0.140 0.509 454 HB3 LEU 63 1HB LEU 63 4.946 1.298 1.481 455 HG LEU 63 HG LEU 63 7.494 0.512 0.055 456 HD11 LEU 63 1HD1 LEU 63 7.097 2.540 -1.249 457 HD12 LEU 63 2HD1 LEU 63 5.586 2.807 -0.378 458 HD13 LEU 63 3HD1 LEU 63 5.768 1.393 -1.418 459 HD21 LEU 63 3HD2 LEU 63 8.029 1.556 2.190 460 HD22 LEU 63 1HD2 LEU 63 6.953 2.905 1.818 461 HD23 LEU 63 2HD2 LEU 63 8.406 2.640 0.856 462 H THR 64 H THR 64 4.822 0.350 4.575 463 HA THR 64 HA THR 64 3.106 -2.039 4.509 464 HB THR 64 HB THR 64 3.536 -0.050 6.757 465 HG1 THR 64 HG1 THR 64 4.834 -1.660 7.653 466 HG21 THR 64 3HG2 THR 64 1.338 -1.128 6.894 467 HG22 THR 64 1HG2 THR 64 2.405 -1.727 8.164 468 HG23 THR 64 2HG2 THR 64 2.095 -2.712 6.735 469 H TYR 65 H TYR 65 0.960 -1.922 4.117 470 HA TYR 65 HA TYR 65 -0.344 0.735 4.115 471 HB2 TYR 65 2HB TYR 65 -0.927 -1.597 2.273 472 HB3 TYR 65 1HB TYR 65 -1.755 -0.044 2.261 473 HD1 TYR 65 HD2 TYR 65 -0.437 2.028 1.628 474 HD2 TYR 65 HD1 TYR 65 1.099 -1.907 1.096 475 HE1 TYR 65 HE2 TYR 65 1.220 2.898 0.033 476 HE2 TYR 65 HE1 TYR 65 2.757 -1.051 -0.501 477 HH TYR 65 HH TYR 65 2.976 0.939 -2.037 478 H THR 66 H THR 66 -2.248 0.923 5.210 479 HA THR 66 HA THR 66 -3.515 -1.524 6.283 480 HB THR 66 HB THR 66 -2.932 0.930 7.967 481 HG1 THR 66 HG1 THR 66 -1.367 -1.241 7.359 482 HG21 THR 66 3HG2 THR 66 -3.944 -1.815 8.734 483 HG22 THR 66 1HG2 THR 66 -4.916 -0.348 8.663 484 HG23 THR 66 2HG2 THR 66 -3.613 -0.487 9.845 485 H VAL 67 H VAL 67 -5.715 -1.490 6.129 486 HA VAL 67 HA VAL 67 -7.039 1.141 5.852 487 HB VAL 67 HB VAL 67 -6.995 0.051 3.664 488 HG11 VAL 67 1HG1 VAL 67 -8.205 -2.043 3.250 489 HG12 VAL 67 2HG1 VAL 67 -8.505 -2.212 4.979 490 HG13 VAL 67 3HG1 VAL 67 -6.854 -2.279 4.360 491 HG21 VAL 67 3HG2 VAL 67 -8.905 1.465 4.227 492 HG22 VAL 67 1HG2 VAL 67 -9.760 0.070 4.891 493 HG23 VAL 67 2HG2 VAL 67 -9.397 0.142 3.166 494 H THR 68 H THR 68 -8.780 1.504 7.111 495 HA THR 68 HA THR 68 -9.598 -0.673 8.929 496 HB THR 68 HB THR 68 -9.915 2.302 9.407 497 HG1 THR 68 HG1 THR 68 -8.005 0.692 10.735 498 HG21 THR 68 3HG2 THR 68 -10.103 -0.069 11.273 499 HG22 THR 68 1HG2 THR 68 -11.460 0.891 10.683 500 HG23 THR 68 2HG2 THR 68 -10.253 1.625 11.740 501 H ASP 69 H ASP 69 -11.541 -1.513 8.574 502 HA ASP 69 HA ASP 69 -13.586 -0.248 7.027 503 HB2 ASP 69 2HB ASP 69 -13.547 -2.598 6.920 504 HB3 ASP 69 1HB ASP 69 -13.377 -2.772 8.659 505 H SER 70 H SER 70 -15.674 0.439 7.757 506 HA SER 70 HA SER 70 -15.489 2.208 9.962 507 HB2 SER 70 2HB SER 70 -17.894 2.707 9.476 508 HB3 SER 70 1HB SER 70 -16.841 2.824 8.067 509 HG SER 70 HG SER 70 -18.308 1.566 7.222 510 H LYS 71 H LYS 71 -16.749 -1.028 9.683 511 HA LYS 71 HA LYS 71 -18.023 -0.845 12.307 512 HB2 LYS 71 2HB LYS 71 -17.939 -3.024 10.232 513 HB3 LYS 71 1HB LYS 71 -18.650 -3.257 11.822 514 HG2 LYS 71 2HG LYS 71 -19.532 -1.213 9.786 515 HG3 LYS 71 1HG LYS 71 -20.337 -2.747 10.132 516 HD2 LYS 71 2HD LYS 71 -20.669 -1.982 12.481 517 HD3 LYS 71 1HD LYS 71 -19.971 -0.423 12.038 518 HE2 LYS 71 2HE LYS 71 -21.775 -0.088 10.402 519 HE3 LYS 71 1HE LYS 71 -22.468 -1.647 10.848 520 HZ1 LYS 71 3HZ LYS 71 -22.212 0.754 12.573 521 HZ2 LYS 71 1HZ LYS 71 -22.697 -0.762 13.140 522 HZ3 LYS 71 2HZ LYS 71 -23.640 0.055 12.006 523 H GLY 72 H GLY 72 -14.922 -1.510 11.211 524 HA2 GLY 72 2HA GLY 72 -13.296 -1.629 13.025 525 HA3 GLY 72 1HA GLY 72 -14.349 -2.767 13.831 526 H HIS 73 H HIS 73 -13.901 -3.327 10.433 527 HA HIS 73 HA HIS 73 -12.026 -5.506 11.050 528 HB2 HIS 73 2HB HIS 73 -13.773 -4.928 8.664 529 HB3 HIS 73 1HB HIS 73 -12.459 -6.092 8.567 530 HD1 HIS 73 HD1 HIS 73 -15.965 -5.863 9.392 531 HD2 HIS 73 HD2 HIS 73 -12.770 -8.225 10.624 532 HE1 HIS 73 HE1 HIS 73 -16.995 -7.932 10.365 533 HE2 HIS 73 HE2 HIS 73 -15.047 -9.400 10.991 534 H GLU 74 H GLU 74 -9.966 -4.850 11.095 535 HA GLU 74 HA GLU 74 -9.015 -2.971 9.022 536 HB2 GLU 74 2HB GLU 74 -8.883 -2.105 11.313 537 HB3 GLU 74 1HB GLU 74 -7.932 -3.500 11.801 538 HG2 GLU 74 2HG GLU 74 -6.138 -2.797 10.281 539 HG3 GLU 74 1HG GLU 74 -7.093 -1.389 9.815 540 H VAL 75 H VAL 75 -7.875 -3.929 7.459 541 HA VAL 75 HA VAL 75 -6.231 -6.296 8.121 542 HB VAL 75 HB VAL 75 -6.329 -6.896 5.729 543 HG11 VAL 75 1HG1 VAL 75 -8.668 -7.622 5.674 544 HG12 VAL 75 2HG1 VAL 75 -9.050 -6.502 6.982 545 HG13 VAL 75 3HG1 VAL 75 -7.960 -7.858 7.273 546 HG21 VAL 75 3HG2 VAL 75 -7.878 -5.762 4.216 547 HG22 VAL 75 1HG2 VAL 75 -6.631 -4.654 4.787 548 HG23 VAL 75 2HG2 VAL 75 -8.259 -4.580 5.468 549 H THR 76 H THR 76 -4.198 -6.551 6.918 550 HA THR 76 HA THR 76 -2.919 -3.996 6.185 551 HB THR 76 HB THR 76 -2.324 -4.305 8.505 552 HG1 THR 76 HG1 THR 76 -0.329 -3.774 8.050 553 HG21 THR 76 3HG2 THR 76 -1.348 -7.056 7.708 554 HG22 THR 76 1HG2 THR 76 -2.745 -6.703 8.723 555 HG23 THR 76 2HG2 THR 76 -1.123 -6.310 9.291 556 H ALA 77 H ALA 77 -1.261 -4.113 4.710 557 HA ALA 77 HA ALA 77 -0.202 -6.693 3.853 558 HB1 ALA 77 3HB ALA 77 -1.600 -4.848 1.914 559 HB2 ALA 77 1HB ALA 77 -2.175 -6.427 2.444 560 HB3 ALA 77 2HB ALA 77 -0.698 -6.303 1.486 561 H LYS 78 H LYS 78 1.667 -6.407 2.309 562 HA LYS 78 HA LYS 78 2.954 -3.775 2.617 563 HB2 LYS 78 2HB LYS 78 4.173 -6.454 3.307 564 HB3 LYS 78 1HB LYS 78 5.105 -4.970 3.146 565 HG2 LYS 78 2HG LYS 78 3.821 -3.961 4.972 566 HG3 LYS 78 1HG LYS 78 2.878 -5.446 5.129 567 HD2 LYS 78 2HD LYS 78 4.891 -6.682 5.741 568 HD3 LYS 78 1HD LYS 78 5.873 -5.233 5.515 569 HE2 LYS 78 2HE LYS 78 4.659 -4.122 7.324 570 HE3 LYS 78 1HE LYS 78 3.653 -5.551 7.539 571 HZ1 LYS 78 3HZ LYS 78 5.497 -5.378 9.144 572 HZ2 LYS 78 1HZ LYS 78 6.599 -5.525 7.872 573 HZ3 LYS 78 2HZ LYS 78 5.550 -6.801 8.231 574 H GLN 79 H GLN 79 4.724 -3.360 1.194 575 HA GLN 79 HA GLN 79 4.837 -5.035 -1.242 576 HB2 GLN 79 2HB GLN 79 3.444 -3.128 -1.790 577 HB3 GLN 79 1HB GLN 79 4.611 -2.017 -1.081 578 HG2 GLN 79 2HG GLN 79 6.248 -2.769 -2.834 579 HG3 GLN 79 1HG GLN 79 4.929 -3.659 -3.588 580 HE21 GLN 79 1HE2 GLN 79 4.559 -0.525 -2.043 581 HE22 GLN 79 2HE2 GLN 79 4.246 0.347 -3.495 582 H THR 80 H THR 80 6.893 -5.609 -1.742 583 HA THR 80 HA THR 80 9.109 -4.210 -0.429 584 HB THR 80 HB THR 80 9.167 -6.620 -0.229 585 HG1 THR 80 HG1 THR 80 11.265 -6.780 -1.743 586 HG21 THR 80 3HG2 THR 80 9.282 -6.722 -3.247 587 HG22 THR 80 1HG2 THR 80 7.935 -7.256 -2.240 588 HG23 THR 80 2HG2 THR 80 9.482 -8.095 -2.161 589 H VAL 81 H VAL 81 9.919 -2.494 -1.464 590 HA VAL 81 HA VAL 81 10.069 -2.525 -4.414 591 HB VAL 81 HB VAL 81 10.271 -0.140 -2.558 592 HG11 VAL 81 1HG1 VAL 81 10.028 -0.296 -5.570 593 HG12 VAL 81 2HG1 VAL 81 11.455 0.205 -4.662 594 HG13 VAL 81 3HG1 VAL 81 9.992 1.188 -4.616 595 HG21 VAL 81 3HG2 VAL 81 8.005 0.427 -3.330 596 HG22 VAL 81 1HG2 VAL 81 8.033 -1.116 -2.475 597 HG23 VAL 81 2HG2 VAL 81 7.938 -1.085 -4.237 598 H THR 82 H THR 82 12.020 -3.029 -5.226 599 HA THR 82 HA THR 82 14.435 -2.521 -3.621 600 HB THR 82 HB THR 82 14.125 -4.211 -6.119 601 HG1 THR 82 HG1 THR 82 13.432 -5.653 -4.745 602 HG21 THR 82 3HG2 THR 82 16.460 -3.938 -4.209 603 HG22 THR 82 1HG2 THR 82 16.407 -3.333 -5.866 604 HG23 THR 82 2HG2 THR 82 16.361 -5.069 -5.560 605 H VAL 83 H VAL 83 15.734 -0.858 -4.088 606 HA VAL 83 HA VAL 83 15.447 0.550 -6.648 607 HB VAL 83 HB VAL 83 16.996 1.364 -4.171 608 HG11 VAL 83 1HG1 VAL 83 17.839 2.410 -6.222 609 HG12 VAL 83 2HG1 VAL 83 17.058 3.590 -5.173 610 HG13 VAL 83 3HG1 VAL 83 16.216 2.987 -6.599 611 HG21 VAL 83 3HG2 VAL 83 14.592 1.212 -3.722 612 HG22 VAL 83 1HG2 VAL 83 14.261 2.257 -5.105 613 HG23 VAL 83 2HG2 VAL 83 15.137 2.891 -3.712 614 H LYS 84 H LYS 84 16.994 0.583 -8.185 615 HA LYS 84 HA LYS 84 19.620 -0.645 -7.597 616 HB2 LYS 84 2HB LYS 84 17.958 -0.804 -10.116 617 HB3 LYS 84 1HB LYS 84 19.627 -1.352 -10.006 618 HG2 LYS 84 2HG LYS 84 19.036 -3.021 -8.380 619 HG3 LYS 84 1HG LYS 84 17.385 -2.403 -8.288 620 HD2 LYS 84 2HD LYS 84 16.986 -3.053 -10.598 621 HD3 LYS 84 1HD LYS 84 18.661 -3.593 -10.758 622 HE2 LYS 84 2HE LYS 84 16.748 -4.724 -8.728 623 HE3 LYS 84 1HE LYS 84 16.950 -5.407 -10.343 624 HZ1 LYS 84 3HZ LYS 84 19.287 -5.773 -9.845 625 HZ2 LYS 84 1HZ LYS 84 18.307 -6.559 -8.712 626 HZ3 LYS 84 2HZ LYS 84 19.091 -5.118 -8.300 627 H VAL 85 H VAL 85 21.491 0.361 -8.526 628 HA VAL 85 HA VAL 85 21.127 3.175 -9.083 629 HB VAL 85 HB VAL 85 23.719 1.614 -9.168 630 HG11 VAL 85 1HG1 VAL 85 24.749 3.815 -8.732 631 HG12 VAL 85 2HG1 VAL 85 23.158 4.567 -8.858 632 HG13 VAL 85 3HG1 VAL 85 23.873 3.776 -10.263 633 HG21 VAL 85 3HG2 VAL 85 22.427 3.047 -6.839 634 HG22 VAL 85 1HG2 VAL 85 24.071 2.401 -6.856 635 HG23 VAL 85 2HG2 VAL 85 22.695 1.309 -6.999 636 H ARG 86 H ARG 86 21.505 4.266 -10.985 637 HA ARG 86 HA ARG 86 21.291 2.826 -13.438 638 HB2 ARG 86 2HB ARG 86 21.778 5.746 -12.817 639 HB3 ARG 86 1HB ARG 86 21.684 5.132 -14.465 640 HG2 ARG 86 2HG ARG 86 19.406 4.292 -13.992 641 HG3 ARG 86 1HG ARG 86 19.503 4.999 -12.379 642 HD2 ARG 86 2HD ARG 86 19.811 6.602 -14.920 643 HD3 ARG 86 1HD ARG 86 18.265 6.364 -14.107 644 HE ARG 86 HE ARG 86 19.968 7.342 -12.183 645 HH11 ARG 86 1HH1 ARG 86 18.835 8.434 -15.248 646 HH12 ARG 86 2HH1 ARG 86 18.868 10.099 -14.797 647 HH21 ARG 86 1HH2 ARG 86 20.025 9.481 -11.618 648 HH22 ARG 86 2HH2 ARG 86 19.551 10.690 -12.762 649 H GLU 87 H GLU 87 22.835 2.073 -14.745 650 HA GLU 87 HA GLU 87 25.442 1.702 -13.912 651 HB2 GLU 87 2HB GLU 87 25.952 1.042 -16.281 652 HB3 GLU 87 1HB GLU 87 24.577 0.226 -15.558 653 HG2 GLU 87 2HG GLU 87 24.274 2.617 -17.357 654 HG3 GLU 87 1HG GLU 87 24.333 0.965 -17.965 655 H GLU 88 H GLU 88 27.404 2.607 -14.331 656 HA GLU 88 HA GLU 88 27.297 5.471 -14.818 657 HB2 GLU 88 2HB GLU 88 29.582 5.511 -13.886 658 HB3 GLU 88 1HB GLU 88 28.425 4.756 -12.802 659 HG2 GLU 88 2HG GLU 88 30.259 3.186 -14.609 660 HG3 GLU 88 1HG GLU 88 30.692 3.661 -12.969 661 H VAL 89 H VAL 89 28.240 6.550 -16.448 662 HA VAL 89 HA VAL 89 29.984 5.084 -18.333 663 HB VAL 89 HB VAL 89 28.995 6.352 -20.205 664 HG11 VAL 89 1HG1 VAL 89 28.140 4.120 -19.723 665 HG12 VAL 89 2HG1 VAL 89 26.854 5.160 -20.334 666 HG13 VAL 89 3HG1 VAL 89 26.949 4.798 -18.612 667 HG21 VAL 89 3HG2 VAL 89 27.017 7.353 -18.146 668 HG22 VAL 89 1HG2 VAL 89 26.893 7.599 -19.888 669 HG23 VAL 89 2HG2 VAL 89 28.227 8.322 -18.989 670 H LYS 90 H LYS 90 31.310 6.637 -19.721 671 HA LYS 90 HA LYS 90 32.643 8.563 -18.119 672 HB2 LYS 90 2HB LYS 90 33.842 9.187 -20.173 673 HB3 LYS 90 1HB LYS 90 33.772 7.441 -19.979 674 HG2 LYS 90 2HG LYS 90 31.999 7.295 -21.632 675 HG3 LYS 90 1HG LYS 90 31.974 9.054 -21.789 676 HD2 LYS 90 2HD LYS 90 34.332 8.980 -22.567 677 HD3 LYS 90 1HD LYS 90 34.276 7.218 -22.493 678 HE2 LYS 90 2HE LYS 90 32.489 7.196 -24.166 679 HE3 LYS 90 1HE LYS 90 32.509 8.958 -24.222 680 HZ1 LYS 90 3HZ LYS 90 34.823 8.832 -24.989 681 HZ2 LYS 90 1HZ LYS 90 33.750 8.077 -26.054 682 HZ3 LYS 90 2HZ LYS 90 34.715 7.148 -25.025 683 H ASN 91 H ASN 91 32.155 10.659 -17.702 684 HA ASN 91 HA ASN 91 29.630 11.676 -18.503 685 HB2 ASN 91 2HB ASN 91 30.684 12.261 -16.336 686 HB3 ASN 91 1HB ASN 91 31.911 13.188 -17.194 687 HD21 ASN 91 1HD2 ASN 91 28.535 13.038 -16.310 688 HD22 ASN 91 2HD2 ASN 91 28.173 14.687 -16.671 689 H ASP 92 H ASP 92 29.236 12.245 -20.533 690 HA ASP 92 HA ASP 92 31.248 13.816 -22.015 691 HB2 ASP 92 2HB ASP 92 30.673 11.736 -23.119 692 HB3 ASP 92 1HB ASP 92 28.954 12.103 -23.008 693 H LYS 93 H LYS 93 30.820 15.872 -22.547 694 HA LYS 93 HA LYS 93 28.085 16.896 -22.114 695 HB2 LYS 93 2HB LYS 93 29.799 17.845 -20.625 696 HB3 LYS 93 1HB LYS 93 30.730 18.365 -22.022 697 HG2 LYS 93 2HG LYS 93 29.472 20.203 -20.990 698 HG3 LYS 93 1HG LYS 93 28.991 19.912 -22.664 699 HD2 LYS 93 2HD LYS 93 26.993 18.772 -21.958 700 HD3 LYS 93 1HD LYS 93 27.506 18.817 -20.268 701 HE2 LYS 93 2HE LYS 93 26.883 21.236 -21.972 702 HE3 LYS 93 1HE LYS 93 25.792 20.517 -20.786 703 HZ1 LYS 93 3HZ LYS 93 26.920 22.382 -19.821 704 HZ2 LYS 93 1HZ LYS 93 28.434 21.750 -20.226 705 HZ3 LYS 93 2HZ LYS 93 27.471 20.971 -19.073 706 HA PRO 94 HA PRO 94 28.471 17.400 -26.647 707 HB2 PRO 94 2HB PRO 94 25.852 17.156 -27.203 708 HB3 PRO 94 1HB PRO 94 26.848 15.747 -26.819 709 HG2 PRO 94 2HG PRO 94 24.975 17.277 -25.042 710 HG3 PRO 94 1HG PRO 94 25.163 15.522 -25.215 711 HD2 PRO 94 2HD PRO 94 26.303 16.968 -23.191 712 HD3 PRO 94 1HD PRO 94 26.989 15.455 -23.819 713 H ILE 95 H ILE 95 26.600 18.788 -28.067 714 HA ILE 95 HA ILE 95 26.700 21.464 -26.858 715 HB ILE 95 HB ILE 95 26.006 20.712 -29.712 716 HG12 ILE 95 2HG1 ILE 95 28.623 21.741 -28.566 717 HG13 ILE 95 1HG1 ILE 95 28.330 20.104 -29.143 718 HG21 ILE 95 1HG2 ILE 95 26.661 23.392 -28.475 719 HG22 ILE 95 2HG2 ILE 95 25.074 22.864 -29.037 720 HG23 ILE 95 3HG2 ILE 95 26.389 23.093 -30.191 721 HD11 ILE 95 3HD1 ILE 95 28.265 22.604 -30.827 722 HD12 ILE 95 1HD1 ILE 95 27.967 20.962 -31.401 723 HD13 ILE 95 2HD1 ILE 95 29.557 21.403 -30.781 724 H LEU 96 H LEU 96 24.956 21.327 -25.414 725 HA LEU 96 HA LEU 96 22.360 20.419 -26.129 726 HB2 LEU 96 2HB LEU 96 23.162 22.309 -23.905 727 HB3 LEU 96 1HB LEU 96 21.627 21.469 -24.030 728 HG LEU 96 HG LEU 96 24.330 20.171 -23.619 729 HD11 LEU 96 1HD1 LEU 96 21.989 20.492 -21.740 730 HD12 LEU 96 2HD1 LEU 96 23.542 21.321 -21.629 731 HD13 LEU 96 3HD1 LEU 96 23.458 19.574 -21.409 732 HD21 LEU 96 3HD2 LEU 96 21.586 18.917 -23.784 733 HD22 LEU 96 1HD2 LEU 96 23.075 18.082 -23.339 734 HD23 LEU 96 2HD2 LEU 96 22.888 18.744 -24.962 735 H GLU 97 H GLU 97 21.383 21.360 -27.831 736 HA GLU 97 HA GLU 97 21.777 24.126 -28.501 737 HB2 GLU 97 2HB GLU 97 21.513 22.202 -30.137 738 HB3 GLU 97 1HB GLU 97 19.799 22.218 -29.748 739 HG2 GLU 97 2HG GLU 97 20.162 23.445 -31.780 740 HG3 GLU 97 1HG GLU 97 19.672 24.563 -30.505 Start of MODEL 16 1 H1 MET 1 1H MET 1 -35.630 -4.030 16.509 2 H2 MET 1 2H MET 1 -36.699 -3.768 17.791 3 H3 MET 1 3H MET 1 -36.361 -2.518 16.707 4 HA MET 1 HA MET 1 -38.529 -3.458 16.276 5 HB2 MET 1 2HB MET 1 -36.483 -4.111 14.133 6 HB3 MET 1 1HB MET 1 -38.216 -3.963 13.867 7 HG2 MET 1 2HG MET 1 -38.096 -1.605 14.592 8 HG3 MET 1 1HG MET 1 -36.348 -1.771 14.758 9 HE1 MET 1 3HE MET 1 -38.733 -3.308 12.027 10 HE2 MET 1 1HE MET 1 -38.604 -2.109 10.740 11 HE3 MET 1 2HE MET 1 -39.390 -1.689 12.262 12 H GLY 2 H GLY 2 -36.239 -5.921 15.020 13 HA2 GLY 2 2HA GLY 2 -37.926 -7.998 16.292 14 HA3 GLY 2 1HA GLY 2 -37.482 -8.116 14.597 15 H ASN 3 H ASN 3 -35.110 -8.192 14.125 16 HA ASN 3 HA ASN 3 -33.392 -9.068 16.296 17 HB2 ASN 3 2HB ASN 3 -32.811 -11.221 15.034 18 HB3 ASN 3 1HB ASN 3 -34.344 -11.190 15.895 19 HD21 ASN 3 1HD2 ASN 3 -36.254 -11.174 14.733 20 HD22 ASN 3 2HD2 ASN 3 -36.313 -11.532 13.045 21 H GLY 4 H GLY 4 -33.427 -9.339 12.709 22 HA2 GLY 4 2HA GLY 4 -31.995 -8.451 11.134 23 HA3 GLY 4 1HA GLY 4 -31.344 -7.397 12.381 24 H GLU 5 H GLU 5 -29.543 -8.270 10.641 25 HA GLU 5 HA GLU 5 -27.994 -10.232 12.203 26 HB2 GLU 5 2HB GLU 5 -28.152 -10.212 9.178 27 HB3 GLU 5 1HB GLU 5 -27.123 -11.255 10.147 28 HG2 GLU 5 2HG GLU 5 -29.185 -12.243 11.145 29 HG3 GLU 5 1HG GLU 5 -30.130 -11.291 9.999 30 H THR 6 H THR 6 -27.503 -8.336 9.227 31 HA THR 6 HA THR 6 -25.833 -6.988 8.516 32 HB THR 6 HB THR 6 -25.535 -6.319 11.460 33 HG1 THR 6 HG1 THR 6 -27.525 -5.650 10.721 34 HG21 THR 6 3HG2 THR 6 -23.486 -5.744 10.249 35 HG22 THR 6 1HG2 THR 6 -24.371 -4.287 10.691 36 HG23 THR 6 2HG2 THR 6 -24.429 -4.884 9.034 37 H SER 7 H SER 7 -24.581 -8.730 7.758 38 HA SER 7 HA SER 7 -22.306 -9.575 9.392 39 HB2 SER 7 2HB SER 7 -23.171 -10.360 6.593 40 HB3 SER 7 1HB SER 7 -21.721 -10.975 7.385 41 HG SER 7 HG SER 7 -24.411 -11.533 7.888 42 H ASP 8 H ASP 8 -20.433 -8.481 9.366 43 HA ASP 8 HA ASP 8 -20.130 -6.191 7.683 44 HB2 ASP 8 2HB ASP 8 -19.340 -6.163 9.990 45 HB3 ASP 8 1HB ASP 8 -18.199 -7.459 9.640 46 H LEU 9 H LEU 9 -19.454 -6.225 5.658 47 HA LEU 9 HA LEU 9 -17.830 -8.379 4.601 48 HB2 LEU 9 2HB LEU 9 -18.705 -5.785 3.305 49 HB3 LEU 9 1HB LEU 9 -17.981 -7.152 2.479 50 HG LEU 9 HG LEU 9 -20.684 -7.152 3.841 51 HD11 LEU 9 1HD1 LEU 9 -21.578 -7.342 1.565 52 HD12 LEU 9 2HD1 LEU 9 -19.946 -7.170 0.915 53 HD13 LEU 9 3HD1 LEU 9 -20.689 -5.836 1.798 54 HD21 LEU 9 3HD2 LEU 9 -20.964 -9.372 2.829 55 HD22 LEU 9 1HD2 LEU 9 -19.621 -9.347 3.970 56 HD23 LEU 9 2HD2 LEU 9 -19.305 -9.313 2.235 57 H GLU 10 H GLU 10 -15.674 -8.411 4.863 58 HA GLU 10 HA GLU 10 -14.237 -6.076 5.719 59 HB2 GLU 10 2HB GLU 10 -12.259 -7.583 5.729 60 HB3 GLU 10 1HB GLU 10 -13.618 -8.208 6.653 61 HG2 GLU 10 2HG GLU 10 -14.204 -9.642 4.711 62 HG3 GLU 10 1HG GLU 10 -12.735 -9.088 3.912 63 HA PRO 11 HA PRO 11 -13.248 -4.494 1.748 64 HB2 PRO 11 2HB PRO 11 -11.164 -2.875 2.361 65 HB3 PRO 11 1HB PRO 11 -12.820 -2.521 2.867 66 HG2 PRO 11 2HG PRO 11 -10.592 -3.781 4.435 67 HG3 PRO 11 1HG PRO 11 -11.726 -2.509 4.933 68 HD2 PRO 11 2HD PRO 11 -12.055 -5.110 5.630 69 HD3 PRO 11 1HD PRO 11 -13.427 -4.018 5.355 70 H LYS 12 H LYS 12 -12.048 -5.044 -0.002 71 HA LYS 12 HA LYS 12 -9.814 -6.868 0.329 72 HB2 LYS 12 2HB LYS 12 -11.457 -7.307 -1.430 73 HB3 LYS 12 1HB LYS 12 -11.112 -5.752 -2.173 74 HG2 LYS 12 2HG LYS 12 -10.029 -7.556 -3.390 75 HG3 LYS 12 1HG LYS 12 -8.828 -6.484 -2.667 76 HD2 LYS 12 2HD LYS 12 -8.544 -8.088 -0.807 77 HD3 LYS 12 1HD LYS 12 -9.715 -9.164 -1.573 78 HE2 LYS 12 2HE LYS 12 -7.060 -8.296 -2.727 79 HE3 LYS 12 1HE LYS 12 -7.433 -9.883 -2.052 80 HZ1 LYS 12 3HZ LYS 12 -8.632 -8.665 -4.483 81 HZ2 LYS 12 1HZ LYS 12 -9.132 -10.131 -3.801 82 HZ3 LYS 12 2HZ LYS 12 -7.570 -9.979 -4.427 83 H LEU 13 H LEU 13 -7.931 -5.977 0.898 84 HA LEU 13 HA LEU 13 -7.099 -3.379 -0.146 85 HB2 LEU 13 2HB LEU 13 -6.769 -3.909 2.235 86 HB3 LEU 13 1HB LEU 13 -5.780 -5.288 1.800 87 HG LEU 13 HG LEU 13 -4.115 -3.721 0.789 88 HD11 LEU 13 1HD1 LEU 13 -4.244 -1.344 1.353 89 HD12 LEU 13 2HD1 LEU 13 -5.847 -1.592 2.048 90 HD13 LEU 13 3HD1 LEU 13 -5.584 -1.844 0.321 91 HD21 LEU 13 3HD2 LEU 13 -4.756 -3.249 3.705 92 HD22 LEU 13 1HD2 LEU 13 -3.203 -2.948 2.920 93 HD23 LEU 13 2HD2 LEU 13 -3.820 -4.595 3.051 94 H THR 14 H THR 14 -6.209 -3.390 -2.155 95 HA THR 14 HA THR 14 -4.786 -5.724 -3.151 96 HB THR 14 HB THR 14 -5.298 -3.056 -4.503 97 HG1 THR 14 HG1 THR 14 -7.201 -3.840 -4.998 98 HG21 THR 14 3HG2 THR 14 -4.795 -4.271 -6.593 99 HG22 THR 14 1HG2 THR 14 -4.376 -5.703 -5.650 100 HG23 THR 14 2HG2 THR 14 -3.406 -4.237 -5.506 101 H VAL 15 H VAL 15 -2.736 -5.978 -2.491 102 HA VAL 15 HA VAL 15 -0.828 -3.775 -2.872 103 HB VAL 15 HB VAL 15 -0.966 -5.456 -0.350 104 HG11 VAL 15 1HG1 VAL 15 1.346 -5.086 -1.005 105 HG12 VAL 15 2HG1 VAL 15 0.957 -4.125 0.420 106 HG13 VAL 15 3HG1 VAL 15 1.047 -3.356 -1.165 107 HG21 VAL 15 3HG2 VAL 15 -1.353 -2.482 -0.736 108 HG22 VAL 15 1HG2 VAL 15 -1.348 -3.329 0.811 109 HG23 VAL 15 2HG2 VAL 15 -2.617 -3.654 -0.368 110 HA PRO 16 HA PRO 16 1.160 -7.323 -4.819 111 HB2 PRO 16 2HB PRO 16 3.255 -5.992 -5.915 112 HB3 PRO 16 1HB PRO 16 1.619 -5.893 -6.575 113 HG2 PRO 16 2HG PRO 16 3.073 -3.955 -4.817 114 HG3 PRO 16 1HG PRO 16 2.037 -3.634 -6.219 115 HD2 PRO 16 2HD PRO 16 1.195 -3.401 -3.622 116 HD3 PRO 16 1HD PRO 16 0.110 -3.772 -4.972 117 H VAL 17 H VAL 17 2.943 -8.664 -4.393 118 HA VAL 17 HA VAL 17 4.050 -8.497 -1.804 119 HB VAL 17 HB VAL 17 3.709 -10.644 -2.910 120 HG11 VAL 17 1HG1 VAL 17 4.252 -10.007 -5.206 121 HG12 VAL 17 2HG1 VAL 17 5.184 -11.419 -4.708 122 HG13 VAL 17 3HG1 VAL 17 5.953 -9.833 -4.768 123 HG21 VAL 17 3HG2 VAL 17 5.840 -11.719 -2.324 124 HG22 VAL 17 1HG2 VAL 17 5.364 -10.524 -1.113 125 HG23 VAL 17 2HG2 VAL 17 6.626 -10.139 -2.287 126 H GLY 18 H GLY 18 5.403 -7.612 -4.968 127 HA2 GLY 18 2HA GLY 18 7.493 -6.090 -3.645 128 HA3 GLY 18 1HA GLY 18 8.063 -7.457 -4.582 129 H ALA 19 H ALA 19 8.740 -4.749 -5.024 130 HA ALA 19 HA ALA 19 8.039 -4.535 -7.836 131 HB1 ALA 19 3HB ALA 19 7.513 -2.247 -5.929 132 HB2 ALA 19 1HB ALA 19 6.288 -3.203 -6.764 133 HB3 ALA 19 2HB ALA 19 7.383 -2.175 -7.687 134 H THR 20 H THR 20 9.760 -3.756 -9.030 135 HA THR 20 HA THR 20 12.076 -2.752 -7.480 136 HB THR 20 HB THR 20 12.168 -4.300 -10.084 137 HG1 THR 20 HG1 THR 20 11.613 -5.469 -8.044 138 HG21 THR 20 3HG2 THR 20 14.598 -4.378 -9.670 139 HG22 THR 20 1HG2 THR 20 14.387 -3.349 -8.256 140 HG23 THR 20 2HG2 THR 20 14.031 -2.719 -9.866 141 H ILE 21 H ILE 21 12.676 -0.735 -7.861 142 HA ILE 21 HA ILE 21 12.246 0.441 -10.542 143 HB ILE 21 HB ILE 21 11.893 2.654 -9.440 144 HG12 ILE 21 2HG1 ILE 21 11.730 0.971 -6.919 145 HG13 ILE 21 1HG1 ILE 21 12.928 2.211 -7.272 146 HG21 ILE 21 1HG2 ILE 21 9.554 2.250 -8.808 147 HG22 ILE 21 2HG2 ILE 21 9.878 0.517 -8.723 148 HG23 ILE 21 3HG2 ILE 21 9.998 1.362 -10.267 149 HD11 ILE 21 3HD1 ILE 21 11.283 3.043 -5.719 150 HD12 ILE 21 1HD1 ILE 21 9.979 2.647 -6.842 151 HD13 ILE 21 2HD1 ILE 21 11.149 3.904 -7.253 152 H HIS 22 H HIS 22 13.645 2.627 -10.639 153 HA HIS 22 HA HIS 22 16.342 1.906 -9.659 154 HB2 HIS 22 2HB HIS 22 15.604 3.318 -12.232 155 HB3 HIS 22 1HB HIS 22 17.248 3.012 -11.676 156 HD1 HIS 22 HD1 HIS 22 14.487 1.498 -13.539 157 HD2 HIS 22 HD2 HIS 22 17.932 0.200 -11.613 158 HE1 HIS 22 HE1 HIS 22 14.882 -0.830 -14.377 159 HE2 HIS 22 HE2 HIS 22 16.887 -1.648 -13.100 160 H VAL 23 H VAL 23 17.817 3.612 -9.224 161 HA VAL 23 HA VAL 23 16.912 5.733 -7.692 162 HB VAL 23 HB VAL 23 19.519 5.521 -9.220 163 HG11 VAL 23 1HG1 VAL 23 18.817 7.310 -6.885 164 HG12 VAL 23 2HG1 VAL 23 19.098 7.835 -8.546 165 HG13 VAL 23 3HG1 VAL 23 20.416 7.133 -7.608 166 HG21 VAL 23 3HG2 VAL 23 19.151 3.657 -7.683 167 HG22 VAL 23 1HG2 VAL 23 18.849 4.788 -6.364 168 HG23 VAL 23 2HG2 VAL 23 20.447 4.702 -7.105 169 H GLY 24 H GLY 24 15.690 7.415 -8.304 170 HA2 GLY 24 2HA GLY 24 15.730 9.569 -9.478 171 HA3 GLY 24 1HA GLY 24 16.259 8.705 -10.911 172 H ASP 25 H ASP 25 14.161 6.544 -10.067 173 HA ASP 25 HA ASP 25 12.078 7.552 -11.764 174 HB2 ASP 25 2HB ASP 25 12.333 4.992 -10.175 175 HB3 ASP 25 1HB ASP 25 10.940 5.356 -11.189 176 H SER 26 H SER 26 9.707 6.887 -10.936 177 HA SER 26 HA SER 26 9.248 8.332 -8.401 178 HB2 SER 26 2HB SER 26 7.600 8.494 -10.944 179 HB3 SER 26 1HB SER 26 7.190 9.273 -9.413 180 HG SER 26 HG SER 26 8.644 10.282 -11.317 181 H PHE 27 H PHE 27 7.398 7.721 -7.180 182 HA PHE 27 HA PHE 27 5.809 5.432 -7.937 183 HB2 PHE 27 2HB PHE 27 7.969 4.417 -7.164 184 HB3 PHE 27 1HB PHE 27 7.702 5.147 -5.585 185 HD1 PHE 27 HD2 PHE 27 6.561 2.586 -7.956 186 HD2 PHE 27 HD1 PHE 27 6.085 4.218 -4.047 187 HE1 PHE 27 HE2 PHE 27 5.263 0.607 -7.290 188 HE2 PHE 27 HE1 PHE 27 4.780 2.241 -3.379 189 HZ PHE 27 HZ PHE 27 4.366 0.433 -5.000 190 H VAL 28 H VAL 28 3.826 5.995 -7.234 191 HA VAL 28 HA VAL 28 3.607 7.509 -4.699 192 HB VAL 28 HB VAL 28 1.639 7.547 -7.000 193 HG11 VAL 28 1HG1 VAL 28 0.629 9.438 -5.803 194 HG12 VAL 28 2HG1 VAL 28 1.793 9.234 -4.492 195 HG13 VAL 28 3HG1 VAL 28 0.605 7.970 -4.821 196 HG21 VAL 28 3HG2 VAL 28 3.698 9.613 -6.201 197 HG22 VAL 28 1HG2 VAL 28 2.464 9.818 -7.445 198 HG23 VAL 28 2HG2 VAL 28 3.736 8.614 -7.653 199 HA PRO 29 HA PRO 29 1.905 3.457 -3.434 200 HB2 PRO 29 2HB PRO 29 1.637 5.094 -0.942 201 HB3 PRO 29 1HB PRO 29 2.256 3.452 -1.151 202 HG2 PRO 29 2HG PRO 29 3.942 5.465 -0.779 203 HG3 PRO 29 1HG PRO 29 4.313 4.186 -1.953 204 HD2 PRO 29 2HD PRO 29 3.349 6.978 -2.439 205 HD3 PRO 29 1HD PRO 29 4.505 6.003 -3.370 206 H MET 30 H MET 30 0.429 6.600 -2.549 207 HA MET 30 HA MET 30 -2.164 5.415 -2.124 208 HB2 MET 30 2HB MET 30 -1.222 8.281 -2.192 209 HB3 MET 30 1HB MET 30 -2.900 7.836 -1.916 210 HG2 MET 30 2HG MET 30 -0.831 6.585 -0.186 211 HG3 MET 30 1HG MET 30 -1.213 8.284 0.073 212 HE1 MET 30 3HE MET 30 -3.707 5.378 -1.081 213 HE2 MET 30 1HE MET 30 -4.322 4.870 0.489 214 HE3 MET 30 2HE MET 30 -2.631 4.593 0.076 215 H ALA 31 H ALA 31 -0.590 6.103 -4.953 216 HA ALA 31 HA ALA 31 -3.127 6.610 -6.386 217 HB1 ALA 31 3HB ALA 31 -1.398 8.313 -6.747 218 HB2 ALA 31 1HB ALA 31 -1.784 7.447 -8.234 219 HB3 ALA 31 2HB ALA 31 -0.304 7.069 -7.351 220 H GLU 32 H GLU 32 -0.947 4.184 -5.636 221 HA GLU 32 HA GLU 32 -1.668 2.621 -8.037 222 HB2 GLU 32 2HB GLU 32 0.905 2.505 -6.440 223 HB3 GLU 32 1HB GLU 32 0.498 1.428 -7.774 224 HG2 GLU 32 2HG GLU 32 0.417 3.329 -9.305 225 HG3 GLU 32 1HG GLU 32 0.771 4.428 -7.977 226 H VAL 33 H VAL 33 -1.554 2.674 -4.561 227 HA VAL 33 HA VAL 33 -2.398 -0.129 -4.369 228 HB VAL 33 HB VAL 33 -1.839 1.902 -2.187 229 HG11 VAL 33 1HG1 VAL 33 -3.470 0.246 -1.440 230 HG12 VAL 33 2HG1 VAL 33 -1.920 -0.001 -0.637 231 HG13 VAL 33 3HG1 VAL 33 -2.405 -1.061 -1.960 232 HG21 VAL 33 3HG2 VAL 33 0.189 0.572 -1.780 233 HG22 VAL 33 1HG2 VAL 33 0.174 1.271 -3.399 234 HG23 VAL 33 2HG2 VAL 33 -0.199 -0.439 -3.172 235 H LEU 34 H LEU 34 -4.422 -0.717 -3.354 236 HA LEU 34 HA LEU 34 -6.483 1.363 -3.291 237 HB2 LEU 34 2HB LEU 34 -6.274 0.677 -5.633 238 HB3 LEU 34 1HB LEU 34 -6.526 -0.994 -5.188 239 HG LEU 34 HG LEU 34 -8.692 0.940 -4.489 240 HD11 LEU 34 1HD1 LEU 34 -9.647 0.826 -6.729 241 HD12 LEU 34 2HD1 LEU 34 -8.230 -0.054 -7.307 242 HD13 LEU 34 3HD1 LEU 34 -8.071 1.617 -6.764 243 HD21 LEU 34 3HD2 LEU 34 -8.640 -1.900 -5.539 244 HD22 LEU 34 1HD2 LEU 34 -10.099 -0.995 -5.127 245 HD23 LEU 34 2HD2 LEU 34 -8.929 -1.397 -3.871 246 H ALA 35 H ALA 35 -8.435 0.753 -2.246 247 HA ALA 35 HA ALA 35 -8.745 -1.966 -1.229 248 HB1 ALA 35 3HB ALA 35 -8.995 -1.282 1.093 249 HB2 ALA 35 1HB ALA 35 -8.646 0.393 0.656 250 HB3 ALA 35 2HB ALA 35 -7.396 -0.840 0.498 251 H ILE 36 H ILE 36 -10.839 -2.541 -1.475 252 HA ILE 36 HA ILE 36 -12.903 -0.415 -1.425 253 HB ILE 36 HB ILE 36 -12.797 -2.822 -3.257 254 HG12 ILE 36 2HG1 ILE 36 -11.353 -0.951 -3.965 255 HG13 ILE 36 1HG1 ILE 36 -12.705 -1.173 -5.069 256 HG21 ILE 36 1HG2 ILE 36 -15.087 -2.455 -2.543 257 HG22 ILE 36 2HG2 ILE 36 -14.898 -1.955 -4.223 258 HG23 ILE 36 3HG2 ILE 36 -14.965 -0.742 -2.946 259 HD11 ILE 36 3HD1 ILE 36 -12.502 0.939 -2.929 260 HD12 ILE 36 1HD1 ILE 36 -13.860 0.713 -4.031 261 HD13 ILE 36 2HD1 ILE 36 -12.282 1.177 -4.663 262 H ASP 37 H ASP 37 -14.601 -0.719 -0.130 263 HA ASP 37 HA ASP 37 -15.270 -3.455 0.776 264 HB2 ASP 37 2HB ASP 37 -14.554 -1.944 2.620 265 HB3 ASP 37 1HB ASP 37 -15.841 -0.826 2.185 266 H LYS 38 H LYS 38 -17.276 -4.191 0.229 267 HA LYS 38 HA LYS 38 -18.680 -2.812 -1.813 268 HB2 LYS 38 2HB LYS 38 -19.430 -5.281 -0.247 269 HB3 LYS 38 1HB LYS 38 -20.333 -4.683 -1.632 270 HG2 LYS 38 2HG LYS 38 -18.161 -4.882 -2.947 271 HG3 LYS 38 1HG LYS 38 -17.539 -5.795 -1.570 272 HD2 LYS 38 2HD LYS 38 -18.417 -7.293 -3.297 273 HD3 LYS 38 1HD LYS 38 -19.361 -7.417 -1.811 274 HE2 LYS 38 2HE LYS 38 -20.788 -7.375 -3.819 275 HE3 LYS 38 1HE LYS 38 -21.094 -5.999 -2.761 276 HZ1 LYS 38 3HZ LYS 38 -19.444 -5.955 -5.230 277 HZ2 LYS 38 1HZ LYS 38 -19.726 -4.629 -4.217 278 HZ3 LYS 38 2HZ LYS 38 -21.003 -5.330 -5.069 279 H GLU 39 H GLU 39 -19.144 -2.902 1.638 280 HA GLU 39 HA GLU 39 -21.904 -1.997 1.503 281 HB2 GLU 39 2HB GLU 39 -21.839 -2.008 3.919 282 HB3 GLU 39 1HB GLU 39 -21.061 -3.474 3.328 283 HG2 GLU 39 2HG GLU 39 -18.867 -2.208 3.563 284 HG3 GLU 39 1HG GLU 39 -19.779 -1.019 4.484 285 H ASP 40 H ASP 40 -18.739 -0.557 2.218 286 HA ASP 40 HA ASP 40 -19.969 2.054 2.707 287 HB2 ASP 40 2HB ASP 40 -18.219 1.117 4.245 288 HB3 ASP 40 1HB ASP 40 -17.054 1.250 2.931 289 H GLY 41 H GLY 41 -17.466 0.628 0.608 290 HA2 GLY 41 2HA GLY 41 -17.671 1.366 -1.799 291 HA3 GLY 41 1HA GLY 41 -17.659 2.999 -1.156 292 H ASP 42 H ASP 42 -15.762 3.877 -1.776 293 HA ASP 42 HA ASP 42 -13.342 2.355 -2.007 294 HB2 ASP 42 2HB ASP 42 -13.776 4.272 -3.474 295 HB3 ASP 42 1HB ASP 42 -13.782 5.354 -2.084 296 H LEU 43 H LEU 43 -12.402 1.601 -0.192 297 HA LEU 43 HA LEU 43 -12.042 3.438 2.066 298 HB2 LEU 43 2HB LEU 43 -11.511 0.469 1.862 299 HB3 LEU 43 1HB LEU 43 -11.174 1.443 3.281 300 HG LEU 43 HG LEU 43 -13.866 0.723 2.124 301 HD11 LEU 43 1HD1 LEU 43 -14.284 -0.139 4.365 302 HD12 LEU 43 2HD1 LEU 43 -12.673 0.376 4.874 303 HD13 LEU 43 3HD1 LEU 43 -12.851 -0.883 3.656 304 HD21 LEU 43 3HD2 LEU 43 -13.941 3.104 2.629 305 HD22 LEU 43 1HD2 LEU 43 -13.280 2.802 4.238 306 HD23 LEU 43 2HD2 LEU 43 -14.882 2.194 3.811 307 H THR 44 H THR 44 -10.506 2.807 -0.736 308 HA THR 44 HA THR 44 -7.782 2.676 -0.158 309 HB THR 44 HB THR 44 -9.008 4.487 -2.266 310 HG1 THR 44 HG1 THR 44 -9.671 2.716 -3.190 311 HG21 THR 44 3HG2 THR 44 -6.328 3.090 -2.128 312 HG22 THR 44 1HG2 THR 44 -6.607 4.821 -1.940 313 HG23 THR 44 2HG2 THR 44 -6.917 4.042 -3.491 314 H SER 45 H SER 45 -10.000 5.405 -0.108 315 HA SER 45 HA SER 45 -8.138 7.433 0.565 316 HB2 SER 45 2HB SER 45 -11.105 7.328 1.184 317 HB3 SER 45 1HB SER 45 -10.101 8.775 1.139 318 HG SER 45 HG SER 45 -11.029 7.166 -0.975 319 H LYS 46 H LYS 46 -9.144 4.817 2.415 320 HA LYS 46 HA LYS 46 -8.813 6.226 4.985 321 HB2 LYS 46 2HB LYS 46 -9.838 3.419 4.486 322 HB3 LYS 46 1HB LYS 46 -9.823 4.262 6.028 323 HG2 LYS 46 2HG LYS 46 -11.440 5.024 3.598 324 HG3 LYS 46 1HG LYS 46 -12.052 4.242 5.056 325 HD2 LYS 46 2HD LYS 46 -11.424 6.218 6.373 326 HD3 LYS 46 1HD LYS 46 -10.812 6.997 4.911 327 HE2 LYS 46 2HE LYS 46 -13.016 7.846 5.386 328 HE3 LYS 46 1HE LYS 46 -13.088 6.853 3.932 329 HZ1 LYS 46 3HZ LYS 46 -13.920 5.019 5.333 330 HZ2 LYS 46 1HZ LYS 46 -14.944 6.364 5.338 331 HZ3 LYS 46 2HZ LYS 46 -13.941 6.060 6.663 332 H ILE 47 H ILE 47 -7.006 4.426 2.820 333 HA ILE 47 HA ILE 47 -5.539 2.719 4.580 334 HB ILE 47 HB ILE 47 -4.718 3.793 1.871 335 HG12 ILE 47 2HG1 ILE 47 -6.092 1.179 2.558 336 HG13 ILE 47 1HG1 ILE 47 -6.874 2.566 1.805 337 HG21 ILE 47 1HG2 ILE 47 -3.228 1.842 1.775 338 HG22 ILE 47 2HG2 ILE 47 -3.704 1.401 3.416 339 HG23 ILE 47 3HG2 ILE 47 -2.826 2.904 3.126 340 HD11 ILE 47 3HD1 ILE 47 -5.382 2.343 -0.126 341 HD12 ILE 47 1HD1 ILE 47 -6.336 0.886 0.154 342 HD13 ILE 47 2HD1 ILE 47 -4.637 0.931 0.625 343 H LYS 48 H LYS 48 -3.661 3.094 5.714 344 HA LYS 48 HA LYS 48 -2.323 5.705 5.359 345 HB2 LYS 48 2HB LYS 48 -3.082 5.311 7.668 346 HB3 LYS 48 1HB LYS 48 -2.173 3.805 7.722 347 HG2 LYS 48 2HG LYS 48 -0.082 5.078 7.395 348 HG3 LYS 48 1HG LYS 48 -1.013 6.573 7.407 349 HD2 LYS 48 2HD LYS 48 -1.727 6.114 9.706 350 HD3 LYS 48 1HD LYS 48 -0.819 4.600 9.693 351 HE2 LYS 48 2HE LYS 48 1.264 5.867 9.345 352 HE3 LYS 48 1HE LYS 48 0.349 7.374 9.372 353 HZ1 LYS 48 3HZ LYS 48 -0.314 6.858 11.653 354 HZ2 LYS 48 1HZ LYS 48 1.366 6.963 11.499 355 HZ3 LYS 48 2HZ LYS 48 0.623 5.451 11.617 356 H VAL 49 H VAL 49 -0.258 5.762 4.626 357 HA VAL 49 HA VAL 49 1.030 3.213 3.951 358 HB VAL 49 HB VAL 49 1.779 6.018 3.077 359 HG11 VAL 49 1HG1 VAL 49 3.128 4.861 1.362 360 HG12 VAL 49 2HG1 VAL 49 2.728 3.314 2.110 361 HG13 VAL 49 3HG1 VAL 49 3.677 4.506 2.999 362 HG21 VAL 49 3HG2 VAL 49 0.240 3.878 1.592 363 HG22 VAL 49 1HG2 VAL 49 0.768 5.420 0.917 364 HG23 VAL 49 2HG2 VAL 49 -0.423 5.389 2.217 365 H ASP 50 H ASP 50 2.262 2.451 5.562 366 HA ASP 50 HA ASP 50 3.886 4.285 7.183 367 HB2 ASP 50 2HB ASP 50 2.365 2.597 8.277 368 HB3 ASP 50 1HB ASP 50 3.367 1.323 7.591 369 H GLY 51 H GLY 51 6.049 4.415 6.877 370 HA2 GLY 51 2HA GLY 51 8.142 3.095 6.561 371 HA3 GLY 51 1HA GLY 51 7.345 2.358 5.181 372 H GLU 52 H GLU 52 9.549 3.215 4.358 373 HA GLU 52 HA GLU 52 9.014 5.612 2.821 374 HB2 GLU 52 2HB GLU 52 9.974 6.518 4.905 375 HB3 GLU 52 1HB GLU 52 11.389 5.494 4.700 376 HG2 GLU 52 2HG GLU 52 11.944 6.682 2.625 377 HG3 GLU 52 1HG GLU 52 10.528 7.711 2.844 378 H VAL 53 H VAL 53 10.128 5.664 0.889 379 HA VAL 53 HA VAL 53 12.139 3.543 0.427 380 HB VAL 53 HB VAL 53 9.993 4.451 -1.514 381 HG11 VAL 53 1HG1 VAL 53 10.905 2.726 -3.028 382 HG12 VAL 53 2HG1 VAL 53 12.226 2.447 -1.893 383 HG13 VAL 53 3HG1 VAL 53 12.073 4.007 -2.700 384 HG21 VAL 53 3HG2 VAL 53 9.141 2.945 0.210 385 HG22 VAL 53 1HG2 VAL 53 10.421 1.786 -0.148 386 HG23 VAL 53 2HG2 VAL 53 9.184 2.135 -1.355 387 H ASP 54 H ASP 54 14.053 4.551 0.190 388 HA ASP 54 HA ASP 54 14.360 7.204 -0.785 389 HB2 ASP 54 2HB ASP 54 16.416 4.985 -0.561 390 HB3 ASP 54 1HB ASP 54 16.774 6.695 -0.786 391 H THR 55 H THR 55 14.674 7.955 -2.814 392 HA THR 55 HA THR 55 14.852 5.994 -5.024 393 HB THR 55 HB THR 55 13.887 7.832 -6.459 394 HG1 THR 55 HG1 THR 55 13.107 9.658 -5.496 395 HG21 THR 55 3HG2 THR 55 12.460 6.022 -5.627 396 HG22 THR 55 1HG2 THR 55 11.572 7.546 -5.663 397 HG23 THR 55 2HG2 THR 55 12.179 6.915 -4.132 398 H THR 56 H THR 56 16.686 8.104 -3.317 399 HA THR 56 HA THR 56 18.308 9.043 -5.580 400 HB THR 56 HB THR 56 19.547 10.361 -3.904 401 HG1 THR 56 HG1 THR 56 18.750 10.332 -1.716 402 HG21 THR 56 3HG2 THR 56 17.552 11.369 -4.914 403 HG22 THR 56 1HG2 THR 56 17.731 11.890 -3.238 404 HG23 THR 56 2HG2 THR 56 16.542 10.655 -3.655 405 H LYS 57 H LYS 57 18.238 6.547 -3.239 406 HA LYS 57 HA LYS 57 20.952 5.726 -3.991 407 HB2 LYS 57 2HB LYS 57 21.014 6.920 -1.786 408 HB3 LYS 57 1HB LYS 57 19.953 5.679 -1.133 409 HG2 LYS 57 2HG LYS 57 21.652 3.979 -1.567 410 HG3 LYS 57 1HG LYS 57 22.712 5.208 -2.264 411 HD2 LYS 57 2HD LYS 57 22.730 6.391 -0.093 412 HD3 LYS 57 1HD LYS 57 21.729 5.109 0.595 413 HE2 LYS 57 2HE LYS 57 23.525 3.481 0.048 414 HE3 LYS 57 1HE LYS 57 24.527 4.825 -0.505 415 HZ1 LYS 57 3HZ LYS 57 24.409 5.769 1.720 416 HZ2 LYS 57 1HZ LYS 57 25.064 4.209 1.759 417 HZ3 LYS 57 2HZ LYS 57 23.465 4.467 2.243 418 H ALA 58 H ALA 58 21.255 3.546 -4.191 419 HA ALA 58 HA ALA 58 18.927 1.974 -4.646 420 HB1 ALA 58 3HB ALA 58 20.948 1.760 -6.003 421 HB2 ALA 58 1HB ALA 58 20.468 0.215 -5.303 422 HB3 ALA 58 2HB ALA 58 21.819 1.116 -4.611 423 H GLY 59 H GLY 59 18.144 0.181 -3.606 424 HA2 GLY 59 2HA GLY 59 19.125 -1.402 -1.643 425 HA3 GLY 59 1HA GLY 59 18.617 0.027 -0.753 426 H THR 60 H THR 60 17.489 -2.526 -0.324 427 HA THR 60 HA THR 60 14.849 -2.396 -1.612 428 HB THR 60 HB THR 60 16.040 -4.523 0.191 429 HG1 THR 60 HG1 THR 60 15.288 -5.072 -2.438 430 HG21 THR 60 3HG2 THR 60 13.604 -4.421 0.469 431 HG22 THR 60 1HG2 THR 60 14.074 -5.875 -0.415 432 HG23 THR 60 2HG2 THR 60 13.395 -4.497 -1.281 433 H TYR 61 H TYR 61 13.186 -1.451 -0.653 434 HA TYR 61 HA TYR 61 13.174 -1.128 2.290 435 HB2 TYR 61 2HB TYR 61 11.976 0.853 0.336 436 HB3 TYR 61 1HB TYR 61 12.274 1.077 2.057 437 HD1 TYR 61 HD1 TYR 61 14.676 1.257 2.860 438 HD2 TYR 61 HD2 TYR 61 13.641 1.379 -1.273 439 HE1 TYR 61 HE1 TYR 61 16.871 2.234 2.339 440 HE2 TYR 61 HE2 TYR 61 15.831 2.361 -1.798 441 HH TYR 61 HH TYR 61 17.628 3.497 -0.808 442 H VAL 62 H VAL 62 11.066 -1.166 3.300 443 HA VAL 62 HA VAL 62 9.040 -2.570 1.657 444 HB VAL 62 HB VAL 62 9.580 -2.921 4.617 445 HG11 VAL 62 1HG1 VAL 62 7.980 -4.803 4.452 446 HG12 VAL 62 2HG1 VAL 62 7.626 -4.331 2.788 447 HG13 VAL 62 3HG1 VAL 62 7.227 -3.243 4.118 448 HG21 VAL 62 3HG2 VAL 62 11.352 -3.902 3.250 449 HG22 VAL 62 1HG2 VAL 62 10.151 -4.775 2.293 450 HG23 VAL 62 2HG2 VAL 62 10.375 -5.166 4.000 451 H LEU 63 H LEU 63 7.007 -1.803 1.609 452 HA LEU 63 HA LEU 63 6.302 0.442 3.400 453 HB2 LEU 63 2HB LEU 63 5.314 -0.214 0.622 454 HB3 LEU 63 1HB LEU 63 4.648 1.062 1.626 455 HG LEU 63 HG LEU 63 7.484 0.936 0.575 456 HD11 LEU 63 1HD1 LEU 63 5.187 2.741 -0.182 457 HD12 LEU 63 2HD1 LEU 63 5.851 1.435 -1.168 458 HD13 LEU 63 3HD1 LEU 63 6.838 2.848 -0.795 459 HD21 LEU 63 3HD2 LEU 63 7.414 2.008 2.755 460 HD22 LEU 63 1HD2 LEU 63 6.104 3.060 2.219 461 HD23 LEU 63 2HD2 LEU 63 7.707 3.203 1.493 462 H THR 64 H THR 64 4.733 0.128 4.821 463 HA THR 64 HA THR 64 3.016 -2.248 4.613 464 HB THR 64 HB THR 64 3.454 -0.394 6.976 465 HG1 THR 64 HG1 THR 64 4.490 -2.539 7.697 466 HG21 THR 64 3HG2 THR 64 2.051 -3.074 6.831 467 HG22 THR 64 1HG2 THR 64 1.264 -1.510 7.047 468 HG23 THR 64 2HG2 THR 64 2.340 -2.134 8.296 469 H TYR 65 H TYR 65 0.886 -2.083 4.157 470 HA TYR 65 HA TYR 65 -0.356 0.601 4.222 471 HB2 TYR 65 2HB TYR 65 -1.057 -1.726 2.407 472 HB3 TYR 65 1HB TYR 65 -1.780 -0.119 2.371 473 HD1 TYR 65 HD2 TYR 65 -0.360 1.847 1.698 474 HD2 TYR 65 HD1 TYR 65 0.995 -2.169 1.280 475 HE1 TYR 65 HE2 TYR 65 1.369 2.598 0.127 476 HE2 TYR 65 HE1 TYR 65 2.731 -1.424 -0.295 477 HH TYR 65 HH TYR 65 3.572 1.824 -0.692 478 H THR 66 H THR 66 -1.748 0.803 5.852 479 HA THR 66 HA THR 66 -3.332 -1.559 6.684 480 HB THR 66 HB THR 66 -2.514 0.796 8.413 481 HG1 THR 66 HG1 THR 66 -0.794 -0.326 8.918 482 HG21 THR 66 3HG2 THR 66 -3.348 -0.580 10.277 483 HG22 THR 66 1HG2 THR 66 -3.891 -1.803 9.129 484 HG23 THR 66 2HG2 THR 66 -4.631 -0.201 9.128 485 H VAL 67 H VAL 67 -5.510 -1.406 6.621 486 HA VAL 67 HA VAL 67 -6.773 1.254 6.593 487 HB VAL 67 HB VAL 67 -6.631 0.592 4.253 488 HG11 VAL 67 1HG1 VAL 67 -7.772 -1.407 3.400 489 HG12 VAL 67 2HG1 VAL 67 -8.145 -1.900 5.051 490 HG13 VAL 67 3HG1 VAL 67 -6.469 -1.825 4.512 491 HG21 VAL 67 3HG2 VAL 67 -8.602 1.842 4.954 492 HG22 VAL 67 1HG2 VAL 67 -9.444 0.339 5.325 493 HG23 VAL 67 2HG2 VAL 67 -9.010 0.718 3.659 494 H THR 68 H THR 68 -8.675 1.399 7.706 495 HA THR 68 HA THR 68 -9.569 -1.046 9.094 496 HB THR 68 HB THR 68 -10.023 1.829 9.946 497 HG1 THR 68 HG1 THR 68 -8.396 0.240 11.507 498 HG21 THR 68 3HG2 THR 68 -10.471 -0.785 11.412 499 HG22 THR 68 1HG2 THR 68 -11.729 0.294 10.806 500 HG23 THR 68 2HG2 THR 68 -10.662 0.826 12.106 501 H ASP 69 H ASP 69 -11.600 -1.763 8.930 502 HA ASP 69 HA ASP 69 -13.421 -0.719 6.989 503 HB2 ASP 69 2HB ASP 69 -13.067 -3.149 7.714 504 HB3 ASP 69 1HB ASP 69 -14.000 -2.761 9.148 505 H SER 70 H SER 70 -15.568 0.077 7.396 506 HA SER 70 HA SER 70 -15.803 1.949 9.514 507 HB2 SER 70 2HB SER 70 -17.879 0.873 7.585 508 HB3 SER 70 1HB SER 70 -18.168 2.209 8.698 509 HG SER 70 HG SER 70 -17.485 2.751 6.464 510 H LYS 71 H LYS 71 -16.622 -1.415 9.290 511 HA LYS 71 HA LYS 71 -18.171 -1.272 11.798 512 HB2 LYS 71 2HB LYS 71 -17.962 -3.483 9.755 513 HB3 LYS 71 1HB LYS 71 -18.893 -3.590 11.240 514 HG2 LYS 71 2HG LYS 71 -19.396 -1.511 9.117 515 HG3 LYS 71 1HG LYS 71 -20.194 -3.084 9.147 516 HD2 LYS 71 2HD LYS 71 -21.069 -2.548 11.412 517 HD3 LYS 71 1HD LYS 71 -20.349 -0.941 11.275 518 HE2 LYS 71 2HE LYS 71 -21.749 -0.437 9.361 519 HE3 LYS 71 1HE LYS 71 -22.400 -2.075 9.367 520 HZ1 LYS 71 3HZ LYS 71 -22.752 -0.081 11.538 521 HZ2 LYS 71 1HZ LYS 71 -23.397 -1.643 11.517 522 HZ3 LYS 71 2HZ LYS 71 -23.921 -0.499 10.392 523 H GLY 72 H GLY 72 -15.010 -1.729 10.968 524 HA2 GLY 72 2HA GLY 72 -13.594 -1.976 12.954 525 HA3 GLY 72 1HA GLY 72 -14.614 -3.306 13.448 526 H HIS 73 H HIS 73 -14.193 -4.003 10.253 527 HA HIS 73 HA HIS 73 -12.054 -5.865 10.745 528 HB2 HIS 73 2HB HIS 73 -13.607 -5.110 8.288 529 HB3 HIS 73 1HB HIS 73 -12.135 -6.057 8.125 530 HD1 HIS 73 HD1 HIS 73 -15.618 -6.476 8.389 531 HD2 HIS 73 HD2 HIS 73 -12.351 -8.502 9.938 532 HE1 HIS 73 HE1 HIS 73 -16.456 -8.775 8.908 533 HE2 HIS 73 HE2 HIS 73 -14.410 -10.046 9.637 534 H GLU 74 H GLU 74 -10.115 -4.886 11.252 535 HA GLU 74 HA GLU 74 -9.063 -2.841 9.420 536 HB2 GLU 74 2HB GLU 74 -9.004 -2.370 11.843 537 HB3 GLU 74 1HB GLU 74 -7.983 -3.782 12.087 538 HG2 GLU 74 2HG GLU 74 -6.256 -2.747 10.664 539 HG3 GLU 74 1HG GLU 74 -7.275 -1.318 10.497 540 H VAL 75 H VAL 75 -8.008 -3.661 7.706 541 HA VAL 75 HA VAL 75 -6.366 -6.094 8.081 542 HB VAL 75 HB VAL 75 -6.705 -6.595 5.716 543 HG11 VAL 75 1HG1 VAL 75 -9.307 -6.027 7.148 544 HG12 VAL 75 2HG1 VAL 75 -8.319 -7.477 7.319 545 HG13 VAL 75 3HG1 VAL 75 -9.104 -7.123 5.781 546 HG21 VAL 75 3HG2 VAL 75 -6.885 -4.328 4.827 547 HG22 VAL 75 1HG2 VAL 75 -8.435 -4.112 5.646 548 HG23 VAL 75 2HG2 VAL 75 -8.281 -5.293 4.344 549 H THR 76 H THR 76 -4.335 -6.243 6.973 550 HA THR 76 HA THR 76 -3.245 -3.793 5.802 551 HB THR 76 HB THR 76 -2.705 -3.483 8.145 552 HG1 THR 76 HG1 THR 76 -0.950 -2.730 7.217 553 HG21 THR 76 3HG2 THR 76 -1.304 -5.087 9.375 554 HG22 THR 76 1HG2 THR 76 -1.373 -6.197 8.009 555 HG23 THR 76 2HG2 THR 76 -2.840 -5.809 8.904 556 H ALA 77 H ALA 77 -1.355 -4.077 4.577 557 HA ALA 77 HA ALA 77 -0.234 -6.754 4.250 558 HB1 ALA 77 3HB ALA 77 -1.455 -5.260 1.923 559 HB2 ALA 77 1HB ALA 77 -2.114 -6.717 2.669 560 HB3 ALA 77 2HB ALA 77 -0.564 -6.778 1.828 561 H LYS 78 H LYS 78 1.819 -6.736 3.064 562 HA LYS 78 HA LYS 78 3.096 -4.062 3.133 563 HB2 LYS 78 2HB LYS 78 4.403 -6.748 3.625 564 HB3 LYS 78 1HB LYS 78 5.187 -5.177 3.733 565 HG2 LYS 78 2HG LYS 78 3.668 -4.585 5.594 566 HG3 LYS 78 1HG LYS 78 2.980 -6.208 5.512 567 HD2 LYS 78 2HD LYS 78 5.260 -7.128 5.947 568 HD3 LYS 78 1HD LYS 78 5.840 -5.476 6.163 569 HE2 LYS 78 2HE LYS 78 5.394 -6.460 8.327 570 HE3 LYS 78 1HE LYS 78 4.221 -5.183 8.012 571 HZ1 LYS 78 3HZ LYS 78 3.199 -7.169 8.960 572 HZ2 LYS 78 1HZ LYS 78 3.725 -8.088 7.644 573 HZ3 LYS 78 2HZ LYS 78 2.595 -6.852 7.411 574 H GLN 79 H GLN 79 4.788 -3.612 1.640 575 HA GLN 79 HA GLN 79 4.920 -5.344 -0.748 576 HB2 GLN 79 2HB GLN 79 3.445 -3.492 -1.304 577 HB3 GLN 79 1HB GLN 79 4.621 -2.331 -0.695 578 HG2 GLN 79 2HG GLN 79 6.186 -3.029 -2.479 579 HG3 GLN 79 1HG GLN 79 4.947 -4.115 -3.106 580 HE21 GLN 79 1HE2 GLN 79 4.225 -0.946 -1.792 581 HE22 GLN 79 2HE2 GLN 79 3.775 -0.229 -3.292 582 H THR 80 H THR 80 6.950 -5.869 -1.278 583 HA THR 80 HA THR 80 9.204 -4.501 -0.018 584 HB THR 80 HB THR 80 9.105 -7.013 -1.713 585 HG1 THR 80 HG1 THR 80 9.582 -8.016 0.328 586 HG21 THR 80 3HG2 THR 80 11.439 -5.810 -0.216 587 HG22 THR 80 1HG2 THR 80 11.273 -5.901 -1.968 588 HG23 THR 80 2HG2 THR 80 11.434 -7.377 -1.020 589 H VAL 81 H VAL 81 9.773 -2.658 -1.081 590 HA VAL 81 HA VAL 81 9.868 -2.654 -4.019 591 HB VAL 81 HB VAL 81 10.143 -0.315 -2.116 592 HG11 VAL 81 1HG1 VAL 81 9.793 -0.398 -5.119 593 HG12 VAL 81 2HG1 VAL 81 11.246 0.098 -4.248 594 HG13 VAL 81 3HG1 VAL 81 9.773 1.062 -4.127 595 HG21 VAL 81 3HG2 VAL 81 7.851 0.264 -2.809 596 HG22 VAL 81 1HG2 VAL 81 7.915 -1.287 -1.970 597 HG23 VAL 81 2HG2 VAL 81 7.758 -1.240 -3.728 598 H THR 82 H THR 82 11.775 -3.305 -4.840 599 HA THR 82 HA THR 82 14.284 -2.684 -3.445 600 HB THR 82 HB THR 82 13.737 -4.484 -5.823 601 HG1 THR 82 HG1 THR 82 14.313 -6.121 -4.302 602 HG21 THR 82 3HG2 THR 82 16.359 -3.972 -4.396 603 HG22 THR 82 1HG2 THR 82 15.965 -3.475 -6.042 604 HG23 THR 82 2HG2 THR 82 16.084 -5.188 -5.643 605 H VAL 83 H VAL 83 15.500 -0.998 -4.015 606 HA VAL 83 HA VAL 83 15.090 0.264 -6.644 607 HB VAL 83 HB VAL 83 16.458 1.403 -4.192 608 HG11 VAL 83 1HG1 VAL 83 17.272 2.385 -6.278 609 HG12 VAL 83 2HG1 VAL 83 16.310 3.550 -5.369 610 HG13 VAL 83 3HG1 VAL 83 15.613 2.737 -6.772 611 HG21 VAL 83 3HG2 VAL 83 14.076 1.048 -3.782 612 HG22 VAL 83 1HG2 VAL 83 13.676 1.919 -5.264 613 HG23 VAL 83 2HG2 VAL 83 14.434 2.769 -3.917 614 H LYS 84 H LYS 84 16.634 0.162 -8.170 615 HA LYS 84 HA LYS 84 19.369 -0.654 -7.389 616 HB2 LYS 84 2HB LYS 84 17.925 -1.173 -10.000 617 HB3 LYS 84 1HB LYS 84 19.589 -1.618 -9.655 618 HG2 LYS 84 2HG LYS 84 18.825 -3.125 -7.884 619 HG3 LYS 84 1HG LYS 84 17.154 -2.673 -8.223 620 HD2 LYS 84 2HD LYS 84 17.652 -4.789 -9.297 621 HD3 LYS 84 1HD LYS 84 17.416 -3.546 -10.526 622 HE2 LYS 84 2HE LYS 84 19.851 -3.309 -10.755 623 HE3 LYS 84 1HE LYS 84 20.087 -4.554 -9.527 624 HZ1 LYS 84 3HZ LYS 84 20.317 -5.536 -11.674 625 HZ2 LYS 84 1HZ LYS 84 18.843 -4.900 -12.201 626 HZ3 LYS 84 2HZ LYS 84 18.868 -6.097 -11.011 627 H VAL 85 H VAL 85 21.121 0.155 -8.795 628 HA VAL 85 HA VAL 85 20.774 2.986 -9.354 629 HB VAL 85 HB VAL 85 23.271 1.283 -9.626 630 HG11 VAL 85 1HG1 VAL 85 22.954 4.283 -9.438 631 HG12 VAL 85 2HG1 VAL 85 23.428 3.371 -10.872 632 HG13 VAL 85 3HG1 VAL 85 24.486 3.410 -9.463 633 HG21 VAL 85 3HG2 VAL 85 22.448 1.195 -7.340 634 HG22 VAL 85 1HG2 VAL 85 22.337 2.955 -7.288 635 HG23 VAL 85 2HG2 VAL 85 23.911 2.174 -7.424 636 H ARG 86 H ARG 86 21.379 4.009 -11.379 637 HA ARG 86 HA ARG 86 20.929 2.303 -13.725 638 HB2 ARG 86 2HB ARG 86 20.548 4.334 -14.968 639 HB3 ARG 86 1HB ARG 86 19.616 4.403 -13.480 640 HG2 ARG 86 2HG ARG 86 21.371 5.853 -12.493 641 HG3 ARG 86 1HG ARG 86 22.215 5.835 -14.042 642 HD2 ARG 86 2HD ARG 86 20.920 7.861 -13.876 643 HD3 ARG 86 1HD ARG 86 20.198 6.818 -15.102 644 HE ARG 86 HE ARG 86 19.131 7.007 -12.356 645 HH11 ARG 86 1HH1 ARG 86 18.678 7.044 -15.768 646 HH12 ARG 86 2HH1 ARG 86 16.954 7.082 -15.650 647 HH21 ARG 86 1HH2 ARG 86 16.938 7.081 -12.211 648 HH22 ARG 86 2HH2 ARG 86 15.978 7.112 -13.647 649 H GLU 87 H GLU 87 22.472 1.902 -15.258 650 HA GLU 87 HA GLU 87 25.208 2.692 -14.585 651 HB2 GLU 87 2HB GLU 87 25.890 0.907 -16.143 652 HB3 GLU 87 1HB GLU 87 24.818 0.320 -14.880 653 HG2 GLU 87 2HG GLU 87 22.931 0.519 -16.531 654 HG3 GLU 87 1HG GLU 87 24.149 0.830 -17.769 655 H GLU 88 H GLU 88 26.700 3.397 -16.229 656 HA GLU 88 HA GLU 88 25.370 5.238 -18.119 657 HB2 GLU 88 2HB GLU 88 27.332 6.677 -17.856 658 HB3 GLU 88 1HB GLU 88 26.586 6.337 -16.299 659 HG2 GLU 88 2HG GLU 88 28.299 4.699 -15.793 660 HG3 GLU 88 1HG GLU 88 29.011 4.911 -17.391 661 H VAL 89 H VAL 89 26.879 5.984 -19.928 662 HA VAL 89 HA VAL 89 28.475 3.739 -21.013 663 HB VAL 89 HB VAL 89 27.763 4.353 -23.278 664 HG11 VAL 89 1HG1 VAL 89 25.434 3.576 -23.167 665 HG12 VAL 89 2HG1 VAL 89 25.432 3.848 -21.424 666 HG13 VAL 89 3HG1 VAL 89 26.497 2.630 -22.125 667 HG21 VAL 89 3HG2 VAL 89 27.351 6.729 -22.945 668 HG22 VAL 89 1HG2 VAL 89 25.956 6.369 -21.926 669 HG23 VAL 89 2HG2 VAL 89 25.928 5.957 -23.641 670 H LYS 90 H LYS 90 30.192 4.413 -22.538 671 HA LYS 90 HA LYS 90 31.011 7.231 -22.278 672 HB2 LYS 90 2HB LYS 90 32.643 4.788 -21.645 673 HB3 LYS 90 1HB LYS 90 33.433 6.263 -22.187 674 HG2 LYS 90 2HG LYS 90 32.505 7.489 -20.306 675 HG3 LYS 90 1HG LYS 90 31.624 6.054 -19.777 676 HD2 LYS 90 2HD LYS 90 33.627 4.914 -19.221 677 HD3 LYS 90 1HD LYS 90 34.625 6.099 -20.064 678 HE2 LYS 90 2HE LYS 90 34.754 6.369 -17.631 679 HE3 LYS 90 1HE LYS 90 34.059 7.789 -18.407 680 HZ1 LYS 90 3HZ LYS 90 31.883 7.114 -17.719 681 HZ2 LYS 90 1HZ LYS 90 32.894 7.103 -16.367 682 HZ3 LYS 90 2HZ LYS 90 32.468 5.649 -17.105 683 H ASN 91 H ASN 91 32.065 8.130 -24.019 684 HA ASN 91 HA ASN 91 31.860 6.637 -26.538 685 HB2 ASN 91 2HB ASN 91 30.760 8.882 -26.252 686 HB3 ASN 91 1HB ASN 91 32.361 9.597 -26.106 687 HD21 ASN 91 1HD2 ASN 91 32.134 10.862 -27.914 688 HD22 ASN 91 2HD2 ASN 91 32.090 10.221 -29.518 689 H ASP 92 H ASP 92 34.175 7.362 -24.269 690 HA ASP 92 HA ASP 92 36.420 7.954 -25.968 691 HB2 ASP 92 2HB ASP 92 36.485 6.974 -23.105 692 HB3 ASP 92 1HB ASP 92 37.717 7.908 -23.952 693 H LYS 93 H LYS 93 35.734 5.954 -27.325 694 HA LYS 93 HA LYS 93 36.169 3.898 -28.151 695 HB2 LYS 93 2HB LYS 93 38.430 3.903 -26.132 696 HB3 LYS 93 1HB LYS 93 38.218 2.692 -27.391 697 HG2 LYS 93 2HG LYS 93 38.374 4.521 -29.085 698 HG3 LYS 93 1HG LYS 93 38.763 5.633 -27.771 699 HD2 LYS 93 2HD LYS 93 40.749 4.300 -27.227 700 HD3 LYS 93 1HD LYS 93 40.351 3.171 -28.524 701 HE2 LYS 93 2HE LYS 93 40.531 5.058 -30.141 702 HE3 LYS 93 1HE LYS 93 41.064 6.091 -28.815 703 HZ1 LYS 93 3HZ LYS 93 42.451 3.652 -29.789 704 HZ2 LYS 93 1HZ LYS 93 42.959 4.607 -28.492 705 HZ3 LYS 93 2HZ LYS 93 42.942 5.248 -30.055 706 HA PRO 94 HA PRO 94 33.577 1.237 -25.834 707 HB2 PRO 94 2HB PRO 94 34.923 -1.059 -27.167 708 HB3 PRO 94 1HB PRO 94 33.217 -0.596 -27.165 709 HG2 PRO 94 2HG PRO 94 34.724 -0.205 -29.330 710 HG3 PRO 94 1HG PRO 94 33.512 0.997 -28.840 711 HD2 PRO 94 2HD PRO 94 36.494 1.039 -28.449 712 HD3 PRO 94 1HD PRO 94 35.405 2.359 -28.933 713 H ILE 95 H ILE 95 34.565 1.617 -23.756 714 HA ILE 95 HA ILE 95 36.477 -0.274 -22.713 715 HB ILE 95 HB ILE 95 34.650 1.634 -21.217 716 HG12 ILE 95 2HG1 ILE 95 37.545 1.963 -22.069 717 HG13 ILE 95 1HG1 ILE 95 36.171 2.791 -22.794 718 HG21 ILE 95 1HG2 ILE 95 35.479 -0.170 -19.794 719 HG22 ILE 95 2HG2 ILE 95 36.230 1.365 -19.357 720 HG23 ILE 95 3HG2 ILE 95 37.134 0.176 -20.298 721 HD11 ILE 95 3HD1 ILE 95 35.746 3.923 -20.663 722 HD12 ILE 95 1HD1 ILE 95 37.365 4.249 -21.278 723 HD13 ILE 95 2HD1 ILE 95 37.139 3.102 -19.958 724 H LEU 96 H LEU 96 35.522 -2.274 -23.229 725 HA LEU 96 HA LEU 96 32.787 -2.837 -22.431 726 HB2 LEU 96 2HB LEU 96 32.891 -4.758 -23.792 727 HB3 LEU 96 1HB LEU 96 33.725 -3.491 -24.664 728 HG LEU 96 HG LEU 96 35.106 -5.707 -23.126 729 HD11 LEU 96 1HD1 LEU 96 33.871 -6.600 -25.028 730 HD12 LEU 96 2HD1 LEU 96 35.610 -6.675 -25.311 731 HD13 LEU 96 3HD1 LEU 96 34.644 -5.426 -26.097 732 HD21 LEU 96 3HD2 LEU 96 37.095 -4.999 -24.443 733 HD22 LEU 96 1HD2 LEU 96 36.546 -3.790 -23.284 734 HD23 LEU 96 2HD2 LEU 96 36.183 -3.595 -25.000 735 H GLU 97 H GLU 97 34.978 -2.630 -20.362 736 HA GLU 97 HA GLU 97 35.592 -5.066 -19.192 737 HB2 GLU 97 2HB GLU 97 35.672 -3.855 -17.035 738 HB3 GLU 97 1HB GLU 97 36.476 -2.970 -18.327 739 HG2 GLU 97 2HG GLU 97 34.681 -1.429 -18.513 740 HG3 GLU 97 1HG GLU 97 33.642 -2.412 -17.483 Start of MODEL 17 1 H1 MET 1 1H MET 1 -38.878 -5.331 18.551 2 H2 MET 1 2H MET 1 -38.554 -6.742 19.427 3 H3 MET 1 3H MET 1 -38.527 -6.775 17.738 4 HA MET 1 HA MET 1 -36.643 -5.281 17.705 5 HB2 MET 1 2HB MET 1 -35.463 -4.755 19.802 6 HB3 MET 1 1HB MET 1 -37.092 -4.100 19.797 7 HG2 MET 1 2HG MET 1 -37.851 -5.910 21.230 8 HG3 MET 1 1HG MET 1 -36.242 -6.629 21.197 9 HE1 MET 1 3HE MET 1 -36.536 -5.295 24.875 10 HE2 MET 1 1HE MET 1 -36.175 -6.696 23.865 11 HE3 MET 1 2HE MET 1 -37.803 -6.017 23.885 12 H GLY 2 H GLY 2 -34.952 -6.429 17.004 13 HA2 GLY 2 2HA GLY 2 -34.169 -8.885 18.430 14 HA3 GLY 2 1HA GLY 2 -34.526 -8.968 16.711 15 H ASN 3 H ASN 3 -32.041 -9.669 17.887 16 HA ASN 3 HA ASN 3 -30.209 -7.461 17.397 17 HB2 ASN 3 2HB ASN 3 -29.658 -10.325 18.209 18 HB3 ASN 3 1HB ASN 3 -28.466 -9.031 18.155 19 HD21 ASN 3 1HD2 ASN 3 -31.198 -10.334 19.840 20 HD22 ASN 3 2HD2 ASN 3 -31.055 -9.343 21.247 21 H GLY 4 H GLY 4 -31.205 -7.588 15.079 22 HA2 GLY 4 2HA GLY 4 -29.535 -9.377 13.406 23 HA3 GLY 4 1HA GLY 4 -31.082 -8.705 12.913 24 H GLU 5 H GLU 5 -28.074 -8.528 12.025 25 HA GLU 5 HA GLU 5 -28.262 -5.759 11.156 26 HB2 GLU 5 2HB GLU 5 -27.082 -5.703 13.379 27 HB3 GLU 5 1HB GLU 5 -25.809 -6.690 12.677 28 HG2 GLU 5 2HG GLU 5 -25.222 -4.945 11.131 29 HG3 GLU 5 1HG GLU 5 -26.608 -3.977 11.631 30 H THR 6 H THR 6 -26.456 -5.225 9.590 31 HA THR 6 HA THR 6 -26.342 -7.122 7.529 32 HB THR 6 HB THR 6 -24.706 -5.631 6.442 33 HG1 THR 6 HG1 THR 6 -23.490 -5.019 8.281 34 HG21 THR 6 3HG2 THR 6 -26.078 -3.603 6.367 35 HG22 THR 6 1HG2 THR 6 -26.913 -4.098 7.839 36 HG23 THR 6 2HG2 THR 6 -27.100 -5.041 6.360 37 H SER 7 H SER 7 -24.775 -8.523 6.809 38 HA SER 7 HA SER 7 -22.921 -9.601 8.690 39 HB2 SER 7 2HB SER 7 -23.075 -10.072 5.694 40 HB3 SER 7 1HB SER 7 -22.226 -11.085 6.863 41 HG SER 7 HG SER 7 -24.393 -11.795 6.215 42 H ASP 8 H ASP 8 -21.195 -8.395 9.312 43 HA ASP 8 HA ASP 8 -20.018 -6.438 7.585 44 HB2 ASP 8 2HB ASP 8 -20.126 -6.022 9.971 45 HB3 ASP 8 1HB ASP 8 -19.150 -7.451 10.301 46 H LEU 9 H LEU 9 -18.675 -6.840 6.021 47 HA LEU 9 HA LEU 9 -16.806 -9.104 6.180 48 HB2 LEU 9 2HB LEU 9 -17.567 -7.355 3.835 49 HB3 LEU 9 1HB LEU 9 -16.461 -8.716 3.765 50 HG LEU 9 HG LEU 9 -19.417 -8.864 4.398 51 HD11 LEU 9 1HD1 LEU 9 -19.576 -10.053 2.262 52 HD12 LEU 9 2HD1 LEU 9 -17.863 -9.751 1.967 53 HD13 LEU 9 3HD1 LEU 9 -18.997 -8.402 2.053 54 HD21 LEU 9 3HD2 LEU 9 -19.124 -11.292 4.331 55 HD22 LEU 9 1HD2 LEU 9 -18.178 -10.564 5.630 56 HD23 LEU 9 2HD2 LEU 9 -17.382 -11.083 4.143 57 H GLU 10 H GLU 10 -14.628 -8.798 6.303 58 HA GLU 10 HA GLU 10 -13.502 -6.207 6.685 59 HB2 GLU 10 2HB GLU 10 -11.292 -7.401 6.550 60 HB3 GLU 10 1HB GLU 10 -12.391 -8.028 7.766 61 HG2 GLU 10 2HG GLU 10 -12.224 -9.295 5.052 62 HG3 GLU 10 1HG GLU 10 -11.044 -9.676 6.304 63 HA PRO 11 HA PRO 11 -13.190 -4.989 2.474 64 HB2 PRO 11 2HB PRO 11 -11.311 -3.040 2.642 65 HB3 PRO 11 1HB PRO 11 -12.944 -2.851 3.290 66 HG2 PRO 11 2HG PRO 11 -10.412 -3.573 4.727 67 HG3 PRO 11 1HG PRO 11 -11.676 -2.420 5.198 68 HD2 PRO 11 2HD PRO 11 -11.545 -4.925 6.235 69 HD3 PRO 11 1HD PRO 11 -13.088 -4.086 5.972 70 H LYS 12 H LYS 12 -12.007 -5.281 0.598 71 HA LYS 12 HA LYS 12 -9.604 -6.889 0.761 72 HB2 LYS 12 2HB LYS 12 -11.208 -7.501 -0.939 73 HB3 LYS 12 1HB LYS 12 -11.210 -5.868 -1.592 74 HG2 LYS 12 2HG LYS 12 -9.941 -7.401 -3.009 75 HG3 LYS 12 1HG LYS 12 -8.904 -6.138 -2.344 76 HD2 LYS 12 2HD LYS 12 -8.135 -7.730 -0.608 77 HD3 LYS 12 1HD LYS 12 -9.132 -8.986 -1.343 78 HE2 LYS 12 2HE LYS 12 -6.835 -9.234 -2.068 79 HE3 LYS 12 1HE LYS 12 -7.838 -8.756 -3.434 80 HZ1 LYS 12 3HZ LYS 12 -6.090 -6.944 -1.851 81 HZ2 LYS 12 1HZ LYS 12 -7.049 -6.482 -3.169 82 HZ3 LYS 12 2HZ LYS 12 -5.751 -7.541 -3.397 83 H LEU 13 H LEU 13 -7.796 -5.832 1.274 84 HA LEU 13 HA LEU 13 -7.185 -3.224 0.116 85 HB2 LEU 13 2HB LEU 13 -6.693 -3.669 2.494 86 HB3 LEU 13 1HB LEU 13 -5.608 -4.966 2.026 87 HG LEU 13 HG LEU 13 -4.114 -3.344 0.943 88 HD11 LEU 13 1HD1 LEU 13 -4.475 -0.943 1.212 89 HD12 LEU 13 2HD1 LEU 13 -6.037 -1.256 1.969 90 HD13 LEU 13 3HD1 LEU 13 -5.775 -1.682 0.279 91 HD21 LEU 13 3HD2 LEU 13 -4.835 -2.633 3.789 92 HD22 LEU 13 1HD2 LEU 13 -3.321 -2.222 2.977 93 HD23 LEU 13 2HD2 LEU 13 -3.731 -3.910 3.275 94 H THR 14 H THR 14 -6.345 -3.177 -1.870 95 HA THR 14 HA THR 14 -4.936 -5.524 -2.906 96 HB THR 14 HB THR 14 -6.054 -3.103 -4.339 97 HG1 THR 14 HG1 THR 14 -7.583 -4.635 -5.081 98 HG21 THR 14 3HG2 THR 14 -5.553 -4.332 -6.421 99 HG22 THR 14 1HG2 THR 14 -4.724 -5.575 -5.482 100 HG23 THR 14 2HG2 THR 14 -4.082 -3.932 -5.535 101 H VAL 15 H VAL 15 -2.836 -5.575 -2.637 102 HA VAL 15 HA VAL 15 -1.214 -3.165 -3.147 103 HB VAL 15 HB VAL 15 -0.776 -5.121 -0.867 104 HG11 VAL 15 1HG1 VAL 15 0.815 -2.671 -1.635 105 HG12 VAL 15 2HG1 VAL 15 1.345 -4.346 -1.787 106 HG13 VAL 15 3HG1 VAL 15 1.068 -3.650 -0.190 107 HG21 VAL 15 3HG2 VAL 15 -2.623 -3.597 -0.403 108 HG22 VAL 15 1HG2 VAL 15 -1.597 -2.216 -0.794 109 HG23 VAL 15 2HG2 VAL 15 -1.233 -3.215 0.613 110 HA PRO 16 HA PRO 16 1.043 -6.143 -5.693 111 HB2 PRO 16 2HB PRO 16 3.133 -4.552 -6.386 112 HB3 PRO 16 1HB PRO 16 1.524 -4.367 -7.095 113 HG2 PRO 16 2HG PRO 16 2.813 -2.798 -4.888 114 HG3 PRO 16 1HG PRO 16 1.850 -2.218 -6.261 115 HD2 PRO 16 2HD PRO 16 0.827 -2.527 -3.750 116 HD3 PRO 16 1HD PRO 16 -0.150 -2.700 -5.219 117 H VAL 17 H VAL 17 2.584 -7.672 -5.184 118 HA VAL 17 HA VAL 17 3.646 -7.720 -2.563 119 HB VAL 17 HB VAL 17 3.095 -9.760 -3.849 120 HG11 VAL 17 1HG1 VAL 17 5.597 -9.114 -5.419 121 HG12 VAL 17 2HG1 VAL 17 3.944 -9.127 -6.034 122 HG13 VAL 17 3HG1 VAL 17 4.699 -10.629 -5.507 123 HG21 VAL 17 3HG2 VAL 17 4.985 -11.110 -3.087 124 HG22 VAL 17 1HG2 VAL 17 4.547 -9.900 -1.882 125 HG23 VAL 17 2HG2 VAL 17 5.965 -9.655 -2.903 126 H GLY 18 H GLY 18 5.068 -6.746 -5.635 127 HA2 GLY 18 2HA GLY 18 7.311 -5.556 -4.239 128 HA3 GLY 18 1HA GLY 18 7.741 -6.888 -5.301 129 H ALA 19 H ALA 19 8.556 -4.126 -5.481 130 HA ALA 19 HA ALA 19 7.747 -3.624 -8.254 131 HB1 ALA 19 3HB ALA 19 7.360 -1.249 -7.861 132 HB2 ALA 19 1HB ALA 19 7.666 -1.469 -6.138 133 HB3 ALA 19 2HB ALA 19 6.259 -2.223 -6.886 134 H THR 20 H THR 20 9.546 -3.407 -9.444 135 HA THR 20 HA THR 20 12.073 -2.701 -8.119 136 HB THR 20 HB THR 20 11.607 -3.834 -10.895 137 HG1 THR 20 HG1 THR 20 11.169 -5.340 -9.221 138 HG21 THR 20 3HG2 THR 20 13.675 -2.501 -10.771 139 HG22 THR 20 1HG2 THR 20 14.029 -4.222 -10.936 140 HG23 THR 20 2HG2 THR 20 14.193 -3.434 -9.367 141 H ILE 21 H ILE 21 12.852 -0.700 -8.268 142 HA ILE 21 HA ILE 21 12.326 0.892 -10.703 143 HB ILE 21 HB ILE 21 12.190 2.946 -9.315 144 HG12 ILE 21 2HG1 ILE 21 12.036 1.016 -6.975 145 HG13 ILE 21 1HG1 ILE 21 13.378 2.103 -7.318 146 HG21 ILE 21 1HG2 ILE 21 10.103 0.859 -8.672 147 HG22 ILE 21 2HG2 ILE 21 10.145 1.886 -10.104 148 HG23 ILE 21 3HG2 ILE 21 9.893 2.604 -8.514 149 HD11 ILE 21 3HD1 ILE 21 11.908 4.023 -6.964 150 HD12 ILE 21 1HD1 ILE 21 11.965 2.973 -5.549 151 HD13 ILE 21 2HD1 ILE 21 10.565 2.930 -6.621 152 H HIS 22 H HIS 22 13.870 2.964 -10.598 153 HA HIS 22 HA HIS 22 16.557 2.004 -9.809 154 HB2 HIS 22 2HB HIS 22 15.778 3.558 -12.288 155 HB3 HIS 22 1HB HIS 22 17.439 3.244 -11.794 156 HD1 HIS 22 HD1 HIS 22 14.441 1.602 -13.286 157 HD2 HIS 22 HD2 HIS 22 18.325 0.597 -12.189 158 HE1 HIS 22 HE1 HIS 22 14.867 -0.651 -14.309 159 HE2 HIS 22 HE2 HIS 22 17.148 -1.310 -13.489 160 H VAL 23 H VAL 23 18.130 3.559 -9.249 161 HA VAL 23 HA VAL 23 17.341 5.569 -7.501 162 HB VAL 23 HB VAL 23 19.968 5.316 -8.990 163 HG11 VAL 23 1HG1 VAL 23 19.304 6.874 -6.488 164 HG12 VAL 23 2HG1 VAL 23 19.739 7.547 -8.059 165 HG13 VAL 23 3HG1 VAL 23 20.927 6.627 -7.136 166 HG21 VAL 23 3HG2 VAL 23 19.417 3.310 -7.719 167 HG22 VAL 23 1HG2 VAL 23 19.134 4.280 -6.275 168 HG23 VAL 23 2HG2 VAL 23 20.757 4.172 -6.962 169 H GLY 24 H GLY 24 16.353 7.454 -7.904 170 HA2 GLY 24 2HA GLY 24 16.306 9.651 -8.824 171 HA3 GLY 24 1HA GLY 24 17.161 9.059 -10.238 172 H ASP 25 H ASP 25 14.427 7.282 -8.998 173 HA ASP 25 HA ASP 25 12.856 8.115 -11.354 174 HB2 ASP 25 2HB ASP 25 13.633 5.621 -10.823 175 HB3 ASP 25 1HB ASP 25 12.198 5.635 -9.804 176 H SER 26 H SER 26 10.360 7.675 -10.883 177 HA SER 26 HA SER 26 9.688 9.042 -8.343 178 HB2 SER 26 2HB SER 26 7.736 10.000 -9.508 179 HB3 SER 26 1HB SER 26 9.239 10.451 -10.312 180 HG SER 26 HG SER 26 8.042 8.119 -11.222 181 H PHE 27 H PHE 27 8.322 8.043 -6.977 182 HA PHE 27 HA PHE 27 6.572 5.891 -7.959 183 HB2 PHE 27 2HB PHE 27 8.651 4.815 -7.164 184 HB3 PHE 27 1HB PHE 27 8.456 5.595 -5.599 185 HD1 PHE 27 HD2 PHE 27 7.057 3.054 -7.881 186 HD2 PHE 27 HD1 PHE 27 6.971 4.701 -3.951 187 HE1 PHE 27 HE2 PHE 27 5.733 1.130 -7.101 188 HE2 PHE 27 HE1 PHE 27 5.652 2.782 -3.173 189 HZ PHE 27 HZ PHE 27 5.031 0.992 -4.745 190 H VAL 28 H VAL 28 4.552 6.092 -7.159 191 HA VAL 28 HA VAL 28 4.157 7.750 -4.738 192 HB VAL 28 HB VAL 28 2.253 7.366 -7.063 193 HG11 VAL 28 1HG1 VAL 28 1.975 9.072 -4.580 194 HG12 VAL 28 2HG1 VAL 28 1.032 7.634 -4.976 195 HG13 VAL 28 3HG1 VAL 28 0.876 9.088 -5.960 196 HG21 VAL 28 3HG2 VAL 28 3.863 9.791 -6.228 197 HG22 VAL 28 1HG2 VAL 28 2.685 9.737 -7.541 198 HG23 VAL 28 2HG2 VAL 28 4.163 8.782 -7.644 199 HA PRO 29 HA PRO 29 2.901 3.722 -2.989 200 HB2 PRO 29 2HB PRO 29 2.261 5.602 -0.747 201 HB3 PRO 29 1HB PRO 29 3.124 4.058 -0.716 202 HG2 PRO 29 2HG PRO 29 4.482 6.331 -0.548 203 HG3 PRO 29 1HG PRO 29 5.096 4.990 -1.533 204 HD2 PRO 29 2HD PRO 29 3.739 7.515 -2.408 205 HD3 PRO 29 1HD PRO 29 5.099 6.649 -3.154 206 H MET 30 H MET 30 0.983 6.722 -2.679 207 HA MET 30 HA MET 30 -1.453 5.288 -2.147 208 HB2 MET 30 2HB MET 30 -0.835 8.193 -2.643 209 HB3 MET 30 1HB MET 30 -2.487 7.623 -2.468 210 HG2 MET 30 2HG MET 30 -0.494 6.954 -0.349 211 HG3 MET 30 1HG MET 30 -1.164 8.580 -0.422 212 HE1 MET 30 3HE MET 30 -3.020 5.091 -1.233 213 HE2 MET 30 1HE MET 30 -3.651 4.757 0.374 214 HE3 MET 30 2HE MET 30 -1.908 4.779 0.098 215 H ALA 31 H ALA 31 0.202 5.753 -4.992 216 HA ALA 31 HA ALA 31 -2.220 5.843 -6.656 217 HB1 ALA 31 3HB ALA 31 -0.372 7.331 -7.279 218 HB2 ALA 31 1HB ALA 31 -0.709 6.146 -8.543 219 HB3 ALA 31 2HB ALA 31 0.684 5.932 -7.481 220 H GLU 32 H GLU 32 -0.009 3.605 -5.337 221 HA GLU 32 HA GLU 32 -0.418 1.634 -7.466 222 HB2 GLU 32 2HB GLU 32 1.400 1.490 -5.055 223 HB3 GLU 32 1HB GLU 32 1.392 0.382 -6.417 224 HG2 GLU 32 2HG GLU 32 2.093 3.313 -6.570 225 HG3 GLU 32 1HG GLU 32 3.254 1.992 -6.490 226 H VAL 33 H VAL 33 -1.747 2.412 -4.438 227 HA VAL 33 HA VAL 33 -2.624 -0.377 -3.973 228 HB VAL 33 HB VAL 33 -1.934 1.716 -1.900 229 HG11 VAL 33 1HG1 VAL 33 -3.875 0.396 -1.183 230 HG12 VAL 33 2HG1 VAL 33 -2.451 0.024 -0.214 231 HG13 VAL 33 3HG1 VAL 33 -2.976 -1.089 -1.477 232 HG21 VAL 33 3HG2 VAL 33 -0.163 0.171 -1.252 233 HG22 VAL 33 1HG2 VAL 33 0.007 0.631 -2.944 234 HG23 VAL 33 2HG2 VAL 33 -0.653 -0.950 -2.521 235 H LEU 34 H LEU 34 -4.751 -0.755 -3.754 236 HA LEU 34 HA LEU 34 -6.588 1.513 -3.258 237 HB2 LEU 34 2HB LEU 34 -6.993 -0.816 -5.152 238 HB3 LEU 34 1HB LEU 34 -8.277 0.267 -4.654 239 HG LEU 34 HG LEU 34 -6.856 2.162 -5.641 240 HD11 LEU 34 1HD1 LEU 34 -5.281 1.542 -7.391 241 HD12 LEU 34 2HD1 LEU 34 -5.485 -0.163 -6.991 242 HD13 LEU 34 3HD1 LEU 34 -4.751 0.937 -5.825 243 HD21 LEU 34 3HD2 LEU 34 -8.007 0.062 -7.482 244 HD22 LEU 34 1HD2 LEU 34 -7.704 1.748 -7.898 245 HD23 LEU 34 2HD2 LEU 34 -8.908 1.346 -6.674 246 H ALA 35 H ALA 35 -8.750 0.791 -2.380 247 HA ALA 35 HA ALA 35 -8.809 -1.790 -1.028 248 HB1 ALA 35 3HB ALA 35 -9.148 -0.860 1.207 249 HB2 ALA 35 1HB ALA 35 -8.872 0.766 0.579 250 HB3 ALA 35 2HB ALA 35 -7.566 -0.420 0.564 251 H ILE 36 H ILE 36 -10.827 -2.584 -1.005 252 HA ILE 36 HA ILE 36 -13.133 -0.742 -1.148 253 HB ILE 36 HB ILE 36 -12.729 -3.153 -2.944 254 HG12 ILE 36 2HG1 ILE 36 -11.443 -1.162 -3.664 255 HG13 ILE 36 1HG1 ILE 36 -12.727 -1.560 -4.801 256 HG21 ILE 36 1HG2 ILE 36 -15.059 -2.956 -2.259 257 HG22 ILE 36 2HG2 ILE 36 -14.876 -2.548 -3.965 258 HG23 ILE 36 3HG2 ILE 36 -15.085 -1.267 -2.769 259 HD11 ILE 36 3HD1 ILE 36 -12.783 0.637 -2.741 260 HD12 ILE 36 1HD1 ILE 36 -14.102 0.233 -3.841 261 HD13 ILE 36 2HD1 ILE 36 -12.571 0.828 -4.481 262 H ASP 37 H ASP 37 -14.896 -1.356 0.044 263 HA ASP 37 HA ASP 37 -15.027 -4.150 1.019 264 HB2 ASP 37 2HB ASP 37 -14.617 -2.394 2.817 265 HB3 ASP 37 1HB ASP 37 -16.204 -1.737 2.443 266 H LYS 38 H LYS 38 -16.954 -5.223 0.735 267 HA LYS 38 HA LYS 38 -18.661 -4.496 -1.361 268 HB2 LYS 38 2HB LYS 38 -18.469 -6.800 -0.823 269 HB3 LYS 38 1HB LYS 38 -18.914 -6.526 0.855 270 HG2 LYS 38 2HG LYS 38 -21.206 -5.926 0.105 271 HG3 LYS 38 1HG LYS 38 -20.731 -6.336 -1.545 272 HD2 LYS 38 2HD LYS 38 -20.401 -8.625 -0.974 273 HD3 LYS 38 1HD LYS 38 -20.523 -8.282 0.752 274 HE2 LYS 38 2HE LYS 38 -22.569 -9.324 -0.098 275 HE3 LYS 38 1HE LYS 38 -22.877 -7.687 0.482 276 HZ1 LYS 38 3HZ LYS 38 -22.565 -8.515 -2.353 277 HZ2 LYS 38 1HZ LYS 38 -22.785 -6.923 -1.829 278 HZ3 LYS 38 2HZ LYS 38 -24.005 -8.064 -1.591 279 H GLU 39 H GLU 39 -18.963 -3.963 2.095 280 HA GLU 39 HA GLU 39 -21.741 -3.156 1.956 281 HB2 GLU 39 2HB GLU 39 -21.530 -2.777 4.359 282 HB3 GLU 39 1HB GLU 39 -20.847 -4.340 3.918 283 HG2 GLU 39 2HG GLU 39 -18.597 -3.152 3.839 284 HG3 GLU 39 1HG GLU 39 -19.405 -1.811 4.643 285 H ASP 40 H ASP 40 -18.621 -1.486 2.433 286 HA ASP 40 HA ASP 40 -20.020 1.057 2.822 287 HB2 ASP 40 2HB ASP 40 -18.146 0.205 4.342 288 HB3 ASP 40 1HB ASP 40 -17.040 0.607 3.031 289 H GLY 41 H GLY 41 -17.810 -0.471 0.538 290 HA2 GLY 41 2HA GLY 41 -17.803 0.178 -1.778 291 HA3 GLY 41 1HA GLY 41 -18.172 1.825 -1.289 292 H ASP 42 H ASP 42 -16.509 3.160 -1.639 293 HA ASP 42 HA ASP 42 -13.849 2.170 -2.041 294 HB2 ASP 42 2HB ASP 42 -14.633 4.021 -3.395 295 HB3 ASP 42 1HB ASP 42 -14.909 5.003 -1.957 296 H LEU 43 H LEU 43 -12.498 1.688 -0.471 297 HA LEU 43 HA LEU 43 -12.306 3.521 1.837 298 HB2 LEU 43 2HB LEU 43 -11.625 0.576 1.681 299 HB3 LEU 43 1HB LEU 43 -11.266 1.606 3.055 300 HG LEU 43 HG LEU 43 -14.026 0.905 2.032 301 HD11 LEU 43 1HD1 LEU 43 -14.274 -0.267 4.161 302 HD12 LEU 43 2HD1 LEU 43 -12.603 0.125 4.576 303 HD13 LEU 43 3HD1 LEU 43 -12.949 -0.933 3.208 304 HD21 LEU 43 3HD2 LEU 43 -14.002 3.181 2.883 305 HD22 LEU 43 1HD2 LEU 43 -13.211 2.643 4.365 306 HD23 LEU 43 2HD2 LEU 43 -14.857 2.120 4.002 307 H THR 44 H THR 44 -10.963 3.015 -1.028 308 HA THR 44 HA THR 44 -8.193 2.827 -0.655 309 HB THR 44 HB THR 44 -9.625 4.515 -2.731 310 HG1 THR 44 HG1 THR 44 -10.284 2.661 -3.481 311 HG21 THR 44 3HG2 THR 44 -7.624 4.115 -4.105 312 HG22 THR 44 1HG2 THR 44 -6.871 3.259 -2.759 313 HG23 THR 44 2HG2 THR 44 -7.225 4.980 -2.622 314 H SER 45 H SER 45 -10.377 5.585 -0.455 315 HA SER 45 HA SER 45 -8.358 7.553 0.049 316 HB2 SER 45 2HB SER 45 -10.314 8.968 0.739 317 HB3 SER 45 1HB SER 45 -10.495 8.236 -0.854 318 HG SER 45 HG SER 45 -12.120 7.081 -0.151 319 H LYS 46 H LYS 46 -9.341 5.011 1.940 320 HA LYS 46 HA LYS 46 -8.936 6.472 4.476 321 HB2 LYS 46 2HB LYS 46 -10.181 3.736 4.110 322 HB3 LYS 46 1HB LYS 46 -10.141 4.694 5.588 323 HG2 LYS 46 2HG LYS 46 -11.636 5.361 3.052 324 HG3 LYS 46 1HG LYS 46 -12.338 4.794 4.568 325 HD2 LYS 46 2HD LYS 46 -11.708 6.819 5.698 326 HD3 LYS 46 1HD LYS 46 -10.758 7.358 4.310 327 HE2 LYS 46 2HE LYS 46 -12.814 7.500 2.971 328 HE3 LYS 46 1HE LYS 46 -13.754 6.993 4.374 329 HZ1 LYS 46 3HZ LYS 46 -13.777 9.395 4.077 330 HZ2 LYS 46 1HZ LYS 46 -12.092 9.445 4.225 331 HZ3 LYS 46 2HZ LYS 46 -13.046 8.967 5.540 332 H ILE 47 H ILE 47 -7.167 4.743 2.355 333 HA ILE 47 HA ILE 47 -5.876 2.816 4.014 334 HB ILE 47 HB ILE 47 -4.890 4.082 1.453 335 HG12 ILE 47 2HG1 ILE 47 -6.360 1.465 1.885 336 HG13 ILE 47 1HG1 ILE 47 -7.070 2.929 1.210 337 HG21 ILE 47 1HG2 ILE 47 -3.442 2.096 1.268 338 HG22 ILE 47 2HG2 ILE 47 -3.991 1.560 2.856 339 HG23 ILE 47 3HG2 ILE 47 -3.069 3.055 2.699 340 HD11 ILE 47 3HD1 ILE 47 -6.509 1.352 -0.534 341 HD12 ILE 47 1HD1 ILE 47 -4.830 1.326 0.000 342 HD13 ILE 47 2HD1 ILE 47 -5.517 2.804 -0.675 343 H LYS 48 H LYS 48 -4.264 3.061 5.434 344 HA LYS 48 HA LYS 48 -2.871 5.650 5.599 345 HB2 LYS 48 2HB LYS 48 -4.172 4.714 7.588 346 HB3 LYS 48 1HB LYS 48 -2.933 3.474 7.700 347 HG2 LYS 48 2HG LYS 48 -2.488 5.246 9.278 348 HG3 LYS 48 1HG LYS 48 -1.233 5.214 8.038 349 HD2 LYS 48 2HD LYS 48 -1.949 7.516 8.575 350 HD3 LYS 48 1HD LYS 48 -2.271 7.097 6.893 351 HE2 LYS 48 2HE LYS 48 -4.146 8.317 7.894 352 HE3 LYS 48 1HE LYS 48 -4.613 6.683 7.424 353 HZ1 LYS 48 3HZ LYS 48 -4.470 5.983 9.703 354 HZ2 LYS 48 1HZ LYS 48 -5.470 7.341 9.612 355 HZ3 LYS 48 2HZ LYS 48 -3.886 7.495 10.187 356 H VAL 49 H VAL 49 -0.749 5.760 5.104 357 HA VAL 49 HA VAL 49 0.632 3.277 4.352 358 HB VAL 49 HB VAL 49 1.402 6.143 3.740 359 HG11 VAL 49 1HG1 VAL 49 2.924 5.146 2.075 360 HG12 VAL 49 2HG1 VAL 49 2.478 3.536 2.638 361 HG13 VAL 49 3HG1 VAL 49 3.328 4.643 3.717 362 HG21 VAL 49 3HG2 VAL 49 0.579 5.690 1.468 363 HG22 VAL 49 1HG2 VAL 49 -0.710 5.555 2.664 364 HG23 VAL 49 2HG2 VAL 49 0.021 4.099 1.988 365 H ASP 50 H ASP 50 2.385 2.529 5.389 366 HA ASP 50 HA ASP 50 3.837 4.293 7.254 367 HB2 ASP 50 2HB ASP 50 2.457 2.723 8.551 368 HB3 ASP 50 1HB ASP 50 3.154 1.365 7.671 369 H GLY 51 H GLY 51 6.096 3.944 7.390 370 HA2 GLY 51 2HA GLY 51 8.103 2.743 6.785 371 HA3 GLY 51 1HA GLY 51 7.260 2.121 5.373 372 H GLU 52 H GLU 52 9.427 2.957 4.472 373 HA GLU 52 HA GLU 52 8.887 5.372 3.031 374 HB2 GLU 52 2HB GLU 52 9.737 6.248 5.229 375 HB3 GLU 52 1HB GLU 52 11.261 5.432 4.914 376 HG2 GLU 52 2HG GLU 52 11.489 7.747 4.353 377 HG3 GLU 52 1HG GLU 52 11.525 6.801 2.866 378 H VAL 53 H VAL 53 9.808 5.220 1.059 379 HA VAL 53 HA VAL 53 12.045 3.327 0.676 380 HB VAL 53 HB VAL 53 9.976 4.281 -1.324 381 HG11 VAL 53 1HG1 VAL 53 12.259 2.333 -1.700 382 HG12 VAL 53 2HG1 VAL 53 12.126 3.935 -2.422 383 HG13 VAL 53 3HG1 VAL 53 10.992 2.667 -2.880 384 HG21 VAL 53 3HG2 VAL 53 9.222 1.941 -1.311 385 HG22 VAL 53 1HG2 VAL 53 9.072 2.689 0.280 386 HG23 VAL 53 2HG2 VAL 53 10.397 1.574 -0.050 387 H ASP 54 H ASP 54 13.968 4.316 0.454 388 HA ASP 54 HA ASP 54 14.260 7.026 -0.412 389 HB2 ASP 54 2HB ASP 54 16.353 4.841 -0.208 390 HB3 ASP 54 1HB ASP 54 16.669 6.570 -0.334 391 H THR 55 H THR 55 14.651 7.827 -2.421 392 HA THR 55 HA THR 55 14.665 5.903 -4.660 393 HB THR 55 HB THR 55 13.890 7.774 -6.070 394 HG1 THR 55 HG1 THR 55 13.942 9.764 -5.351 395 HG21 THR 55 3HG2 THR 55 12.224 6.339 -4.994 396 HG22 THR 55 1HG2 THR 55 11.637 7.998 -5.117 397 HG23 THR 55 2HG2 THR 55 12.227 7.384 -3.573 398 H THR 56 H THR 56 16.852 7.646 -2.954 399 HA THR 56 HA THR 56 18.476 8.395 -5.306 400 HB THR 56 HB THR 56 18.015 10.216 -3.671 401 HG1 THR 56 HG1 THR 56 20.483 10.544 -3.303 402 HG21 THR 56 3HG2 THR 56 18.006 8.871 -1.608 403 HG22 THR 56 1HG2 THR 56 19.154 10.207 -1.499 404 HG23 THR 56 2HG2 THR 56 19.733 8.570 -1.800 405 H LYS 57 H LYS 57 18.214 5.853 -3.215 406 HA LYS 57 HA LYS 57 20.993 5.066 -3.687 407 HB2 LYS 57 2HB LYS 57 20.920 6.097 -1.422 408 HB3 LYS 57 1HB LYS 57 19.718 4.905 -0.943 409 HG2 LYS 57 2HG LYS 57 21.331 3.109 -1.285 410 HG3 LYS 57 1HG LYS 57 22.536 4.283 -1.826 411 HD2 LYS 57 2HD LYS 57 22.471 5.365 0.375 412 HD3 LYS 57 1HD LYS 57 21.269 4.193 0.918 413 HE2 LYS 57 2HE LYS 57 24.082 3.549 0.025 414 HE3 LYS 57 1HE LYS 57 23.529 3.624 1.697 415 HZ1 LYS 57 3HZ LYS 57 21.978 1.809 1.196 416 HZ2 LYS 57 1HZ LYS 57 23.589 1.359 0.940 417 HZ3 LYS 57 2HZ LYS 57 22.595 1.716 -0.374 418 H ALA 58 H ALA 58 21.239 2.931 -4.128 419 HA ALA 58 HA ALA 58 18.909 1.440 -4.807 420 HB1 ALA 58 3HB ALA 58 20.462 -0.272 -5.583 421 HB2 ALA 58 1HB ALA 58 21.795 0.556 -4.776 422 HB3 ALA 58 2HB ALA 58 20.964 1.329 -6.127 423 H GLY 59 H GLY 59 18.008 -0.365 -3.896 424 HA2 GLY 59 2HA GLY 59 18.841 -2.199 -2.137 425 HA3 GLY 59 1HA GLY 59 18.603 -0.819 -1.077 426 H THR 60 H THR 60 17.178 -3.103 -0.622 427 HA THR 60 HA THR 60 14.519 -2.688 -1.786 428 HB THR 60 HB THR 60 15.646 -4.935 -0.107 429 HG1 THR 60 HG1 THR 60 15.844 -5.923 -1.976 430 HG21 THR 60 3HG2 THR 60 13.479 -6.073 -0.422 431 HG22 THR 60 1HG2 THR 60 12.821 -4.602 -1.140 432 HG23 THR 60 2HG2 THR 60 13.319 -4.612 0.551 433 H TYR 61 H TYR 61 13.014 -1.562 -0.763 434 HA TYR 61 HA TYR 61 13.114 -1.295 2.181 435 HB2 TYR 61 2HB TYR 61 12.001 0.773 0.267 436 HB3 TYR 61 1HB TYR 61 12.311 0.965 1.988 437 HD1 TYR 61 HD1 TYR 61 14.675 1.168 2.804 438 HD2 TYR 61 HD2 TYR 61 13.736 1.072 -1.352 439 HE1 TYR 61 HE1 TYR 61 16.904 2.061 2.279 440 HE2 TYR 61 HE2 TYR 61 15.964 1.965 -1.882 441 HH TYR 61 HH TYR 61 17.754 3.137 -0.909 442 H VAL 62 H VAL 62 11.107 -1.432 3.285 443 HA VAL 62 HA VAL 62 8.961 -2.662 1.664 444 HB VAL 62 HB VAL 62 9.545 -3.077 4.606 445 HG11 VAL 62 1HG1 VAL 62 7.578 -4.479 2.778 446 HG12 VAL 62 2HG1 VAL 62 7.172 -3.359 4.079 447 HG13 VAL 62 3HG1 VAL 62 7.917 -4.912 4.455 448 HG21 VAL 62 3HG2 VAL 62 11.299 -4.041 3.201 449 HG22 VAL 62 1HG2 VAL 62 10.083 -4.894 2.245 450 HG23 VAL 62 2HG2 VAL 62 10.324 -5.310 3.944 451 H LEU 63 H LEU 63 7.044 -1.699 1.540 452 HA LEU 63 HA LEU 63 6.337 0.412 3.483 453 HB2 LEU 63 2HB LEU 63 5.300 -0.124 0.693 454 HB3 LEU 63 1HB LEU 63 4.691 1.135 1.751 455 HG LEU 63 HG LEU 63 7.524 0.978 0.703 456 HD11 LEU 63 1HD1 LEU 63 5.249 2.782 -0.128 457 HD12 LEU 63 2HD1 LEU 63 5.928 1.460 -1.083 458 HD13 LEU 63 3HD1 LEU 63 6.913 2.874 -0.704 459 HD21 LEU 63 3HD2 LEU 63 7.362 2.080 2.885 460 HD22 LEU 63 1HD2 LEU 63 6.114 3.156 2.255 461 HD23 LEU 63 2HD2 LEU 63 7.756 3.234 1.612 462 H THR 64 H THR 64 4.599 0.172 4.804 463 HA THR 64 HA THR 64 2.903 -2.221 4.423 464 HB THR 64 HB THR 64 3.574 -0.716 6.965 465 HG1 THR 64 HG1 THR 64 5.103 -2.166 7.046 466 HG21 THR 64 3HG2 THR 64 1.238 -1.474 7.037 467 HG22 THR 64 1HG2 THR 64 2.243 -2.414 8.139 468 HG23 THR 64 2HG2 THR 64 1.749 -3.104 6.595 469 H TYR 65 H TYR 65 0.834 -1.915 3.907 470 HA TYR 65 HA TYR 65 -0.354 0.761 4.307 471 HB2 TYR 65 2HB TYR 65 -1.139 -1.373 2.300 472 HB3 TYR 65 1HB TYR 65 -1.809 0.254 2.409 473 HD1 TYR 65 HD2 TYR 65 -0.509 2.191 1.659 474 HD2 TYR 65 HD1 TYR 65 1.063 -1.755 1.337 475 HE1 TYR 65 HE2 TYR 65 1.237 3.013 0.140 476 HE2 TYR 65 HE1 TYR 65 2.812 -0.939 -0.188 477 HH TYR 65 HH TYR 65 3.530 2.317 -0.578 478 H THR 66 H THR 66 -2.099 0.939 5.614 479 HA THR 66 HA THR 66 -3.617 -1.498 6.317 480 HB THR 66 HB THR 66 -2.611 0.589 8.277 481 HG1 THR 66 HG1 THR 66 -1.552 -1.716 7.403 482 HG21 THR 66 3HG2 THR 66 -4.864 -0.135 8.885 483 HG22 THR 66 1HG2 THR 66 -3.675 -0.793 10.010 484 HG23 THR 66 2HG2 THR 66 -4.368 -1.824 8.758 485 H VAL 67 H VAL 67 -5.768 -1.246 6.083 486 HA VAL 67 HA VAL 67 -6.855 1.503 5.993 487 HB VAL 67 HB VAL 67 -6.878 0.490 3.773 488 HG11 VAL 67 1HG1 VAL 67 -8.232 -1.477 3.268 489 HG12 VAL 67 2HG1 VAL 67 -8.606 -1.673 4.979 490 HG13 VAL 67 3HG1 VAL 67 -6.948 -1.866 4.411 491 HG21 VAL 67 3HG2 VAL 67 -8.682 2.029 4.377 492 HG22 VAL 67 1HG2 VAL 67 -9.654 0.674 4.953 493 HG23 VAL 67 2HG2 VAL 67 -9.243 0.802 3.243 494 H THR 68 H THR 68 -8.815 1.935 6.987 495 HA THR 68 HA THR 68 -9.675 -0.080 8.956 496 HB THR 68 HB THR 68 -10.109 2.917 9.030 497 HG1 THR 68 HG1 THR 68 -8.518 1.920 10.981 498 HG21 THR 68 3HG2 THR 68 -10.586 0.776 11.118 499 HG22 THR 68 1HG2 THR 68 -11.823 1.719 10.282 500 HG23 THR 68 2HG2 THR 68 -10.711 2.514 11.397 501 H ASP 69 H ASP 69 -11.497 -1.101 8.547 502 HA ASP 69 HA ASP 69 -13.541 -0.190 6.763 503 HB2 ASP 69 2HB ASP 69 -13.213 -2.531 6.918 504 HB3 ASP 69 1HB ASP 69 -13.249 -2.505 8.674 505 H SER 70 H SER 70 -15.744 0.326 7.326 506 HA SER 70 HA SER 70 -15.845 2.213 9.490 507 HB2 SER 70 2HB SER 70 -18.175 2.631 8.686 508 HB3 SER 70 1HB SER 70 -16.958 2.759 7.415 509 HG SER 70 HG SER 70 -18.264 1.425 6.428 510 H LYS 71 H LYS 71 -16.662 -1.103 9.247 511 HA LYS 71 HA LYS 71 -18.382 -0.948 11.631 512 HB2 LYS 71 2HB LYS 71 -17.972 -3.034 9.513 513 HB3 LYS 71 1HB LYS 71 -18.694 -3.463 11.056 514 HG2 LYS 71 2HG LYS 71 -19.772 -1.284 9.278 515 HG3 LYS 71 1HG LYS 71 -20.302 -2.965 9.191 516 HD2 LYS 71 2HD LYS 71 -20.940 -2.834 11.596 517 HD3 LYS 71 1HD LYS 71 -20.521 -1.119 11.577 518 HE2 LYS 71 2HE LYS 71 -22.234 -0.678 9.925 519 HE3 LYS 71 1HE LYS 71 -22.596 -2.399 9.793 520 HZ1 LYS 71 3HZ LYS 71 -22.970 -0.743 12.228 521 HZ2 LYS 71 1HZ LYS 71 -23.335 -2.388 12.088 522 HZ3 LYS 71 2HZ LYS 71 -24.200 -1.246 11.187 523 H GLY 72 H GLY 72 -15.168 -1.166 11.127 524 HA2 GLY 72 2HA GLY 72 -13.764 -1.338 13.061 525 HA3 GLY 72 1HA GLY 72 -14.852 -2.545 13.714 526 H HIS 73 H HIS 73 -13.731 -2.815 10.396 527 HA HIS 73 HA HIS 73 -11.882 -4.959 11.249 528 HB2 HIS 73 2HB HIS 73 -13.464 -4.573 8.719 529 HB3 HIS 73 1HB HIS 73 -12.026 -5.582 8.721 530 HD1 HIS 73 HD1 HIS 73 -15.568 -5.796 9.187 531 HD2 HIS 73 HD2 HIS 73 -12.267 -7.716 10.833 532 HE1 HIS 73 HE1 HIS 73 -16.422 -7.995 10.049 533 HE2 HIS 73 HE2 HIS 73 -14.395 -9.184 10.938 534 H GLU 74 H GLU 74 -9.896 -4.030 11.497 535 HA GLU 74 HA GLU 74 -8.878 -2.234 9.407 536 HB2 GLU 74 2HB GLU 74 -8.623 -1.498 11.740 537 HB3 GLU 74 1HB GLU 74 -7.728 -2.963 12.116 538 HG2 GLU 74 2HG GLU 74 -6.016 -2.252 10.442 539 HG3 GLU 74 1HG GLU 74 -6.879 -0.725 10.287 540 H VAL 75 H VAL 75 -8.037 -3.340 7.713 541 HA VAL 75 HA VAL 75 -6.435 -5.761 8.254 542 HB VAL 75 HB VAL 75 -6.805 -6.401 5.919 543 HG11 VAL 75 1HG1 VAL 75 -9.199 -6.914 6.072 544 HG12 VAL 75 2HG1 VAL 75 -9.372 -5.732 7.370 545 HG13 VAL 75 3HG1 VAL 75 -8.384 -7.171 7.616 546 HG21 VAL 75 3HG2 VAL 75 -8.513 -3.910 5.744 547 HG22 VAL 75 1HG2 VAL 75 -8.393 -5.163 4.509 548 HG23 VAL 75 2HG2 VAL 75 -6.983 -4.184 4.911 549 H THR 76 H THR 76 -4.468 -6.113 7.038 550 HA THR 76 HA THR 76 -3.212 -3.647 6.018 551 HB THR 76 HB THR 76 -2.515 -3.829 8.354 552 HG1 THR 76 HG1 THR 76 -0.249 -3.827 7.954 553 HG21 THR 76 3HG2 THR 76 -1.160 -5.726 9.130 554 HG22 THR 76 1HG2 THR 76 -1.422 -6.545 7.588 555 HG23 THR 76 2HG2 THR 76 -2.783 -6.239 8.669 556 H ALA 77 H ALA 77 -1.585 -3.904 4.505 557 HA ALA 77 HA ALA 77 -0.617 -6.562 3.782 558 HB1 ALA 77 3HB ALA 77 -2.035 -4.784 1.790 559 HB2 ALA 77 1HB ALA 77 -2.614 -6.336 2.393 560 HB3 ALA 77 2HB ALA 77 -1.161 -6.265 1.397 561 H LYS 78 H LYS 78 1.360 -6.461 2.495 562 HA LYS 78 HA LYS 78 2.663 -3.815 2.730 563 HB2 LYS 78 2HB LYS 78 3.889 -6.526 3.276 564 HB3 LYS 78 1HB LYS 78 4.749 -4.993 3.325 565 HG2 LYS 78 2HG LYS 78 3.255 -4.244 5.149 566 HG3 LYS 78 1HG LYS 78 2.479 -5.829 5.126 567 HD2 LYS 78 2HD LYS 78 4.599 -6.890 5.702 568 HD3 LYS 78 1HD LYS 78 5.405 -5.319 5.683 569 HE2 LYS 78 2HE LYS 78 3.946 -4.574 7.534 570 HE3 LYS 78 1HE LYS 78 3.184 -6.164 7.557 571 HZ1 LYS 78 3HZ LYS 78 6.065 -5.660 8.048 572 HZ2 LYS 78 1HZ LYS 78 5.274 -7.149 8.165 573 HZ3 LYS 78 2HZ LYS 78 4.909 -5.906 9.254 574 H GLN 79 H GLN 79 4.492 -3.420 1.369 575 HA GLN 79 HA GLN 79 4.598 -4.989 -1.126 576 HB2 GLN 79 2HB GLN 79 3.293 -3.016 -1.642 577 HB3 GLN 79 1HB GLN 79 4.463 -1.972 -0.842 578 HG2 GLN 79 2HG GLN 79 6.132 -2.571 -2.559 579 HG3 GLN 79 1HG GLN 79 4.918 -3.554 -3.372 580 HE21 GLN 79 1HE2 GLN 79 4.178 -0.483 -1.860 581 HE22 GLN 79 2HE2 GLN 79 3.882 0.369 -3.326 582 H THR 80 H THR 80 6.605 -5.673 -1.539 583 HA THR 80 HA THR 80 8.891 -4.448 -0.176 584 HB THR 80 HB THR 80 8.648 -6.987 -1.814 585 HG1 THR 80 HG1 THR 80 7.861 -6.618 0.554 586 HG21 THR 80 3HG2 THR 80 10.902 -6.103 -2.077 587 HG22 THR 80 1HG2 THR 80 10.926 -7.516 -1.022 588 HG23 THR 80 2HG2 THR 80 11.049 -5.897 -0.332 589 H VAL 81 H VAL 81 9.639 -2.665 -1.220 590 HA VAL 81 HA VAL 81 9.698 -2.612 -4.156 591 HB VAL 81 HB VAL 81 10.260 -0.375 -2.190 592 HG11 VAL 81 1HG1 VAL 81 9.793 -0.282 -5.177 593 HG12 VAL 81 2HG1 VAL 81 11.334 -0.023 -4.359 594 HG13 VAL 81 3HG1 VAL 81 10.008 1.115 -4.120 595 HG21 VAL 81 3HG2 VAL 81 7.949 -1.144 -2.020 596 HG22 VAL 81 1HG2 VAL 81 7.749 -0.971 -3.765 597 HG23 VAL 81 2HG2 VAL 81 8.024 0.454 -2.761 598 H THR 82 H THR 82 11.547 -2.800 -5.299 599 HA THR 82 HA THR 82 14.108 -2.764 -3.814 600 HB THR 82 HB THR 82 13.368 -4.386 -6.263 601 HG1 THR 82 HG1 THR 82 13.994 -5.147 -3.570 602 HG21 THR 82 3HG2 THR 82 15.698 -3.675 -6.403 603 HG22 THR 82 1HG2 THR 82 15.606 -5.396 -6.038 604 HG23 THR 82 2HG2 THR 82 15.991 -4.242 -4.759 605 H VAL 83 H VAL 83 15.252 -1.005 -4.236 606 HA VAL 83 HA VAL 83 15.028 0.381 -6.801 607 HB VAL 83 HB VAL 83 16.634 1.178 -4.356 608 HG11 VAL 83 1HG1 VAL 83 16.628 3.416 -5.347 609 HG12 VAL 83 2HG1 VAL 83 15.750 2.799 -6.747 610 HG13 VAL 83 3HG1 VAL 83 17.394 2.245 -6.423 611 HG21 VAL 83 3HG2 VAL 83 13.857 2.046 -5.172 612 HG22 VAL 83 1HG2 VAL 83 14.786 2.702 -3.823 613 HG23 VAL 83 2HG2 VAL 83 14.259 1.018 -3.798 614 H LYS 84 H LYS 84 16.617 0.442 -8.322 615 HA LYS 84 HA LYS 84 19.159 -0.954 -7.750 616 HB2 LYS 84 2HB LYS 84 17.522 -1.009 -10.294 617 HB3 LYS 84 1HB LYS 84 19.128 -1.706 -10.129 618 HG2 LYS 84 2HG LYS 84 18.277 -3.233 -8.401 619 HG3 LYS 84 1HG LYS 84 16.665 -2.544 -8.599 620 HD2 LYS 84 2HD LYS 84 16.857 -4.636 -9.831 621 HD3 LYS 84 1HD LYS 84 16.644 -3.285 -10.943 622 HE2 LYS 84 2HE LYS 84 18.338 -4.873 -11.747 623 HE3 LYS 84 1HE LYS 84 19.035 -3.286 -11.427 624 HZ1 LYS 84 3HZ LYS 84 20.355 -5.222 -10.612 625 HZ2 LYS 84 1HZ LYS 84 19.134 -5.525 -9.484 626 HZ3 LYS 84 2HZ LYS 84 19.997 -4.071 -9.428 627 H VAL 85 H VAL 85 21.015 -0.271 -9.002 628 HA VAL 85 HA VAL 85 21.156 2.591 -9.242 629 HB VAL 85 HB VAL 85 23.267 0.566 -10.035 630 HG11 VAL 85 1HG1 VAL 85 24.848 2.392 -9.594 631 HG12 VAL 85 2HG1 VAL 85 23.501 3.473 -9.238 632 HG13 VAL 85 3HG1 VAL 85 23.702 2.822 -10.864 633 HG21 VAL 85 3HG2 VAL 85 22.590 0.132 -7.742 634 HG22 VAL 85 1HG2 VAL 85 22.783 1.838 -7.334 635 HG23 VAL 85 2HG2 VAL 85 24.192 0.868 -7.768 636 H ARG 86 H ARG 86 21.555 3.840 -11.111 637 HA ARG 86 HA ARG 86 20.712 2.641 -13.630 638 HB2 ARG 86 2HB ARG 86 21.415 5.517 -12.977 639 HB3 ARG 86 1HB ARG 86 20.763 4.954 -14.511 640 HG2 ARG 86 2HG ARG 86 18.762 4.102 -13.207 641 HG3 ARG 86 1HG ARG 86 19.398 4.994 -11.825 642 HD2 ARG 86 2HD ARG 86 19.294 7.072 -13.144 643 HD3 ARG 86 1HD ARG 86 18.618 6.163 -14.499 644 HE ARG 86 HE ARG 86 17.282 6.460 -11.888 645 HH11 ARG 86 1HH1 ARG 86 17.150 6.295 -15.324 646 HH12 ARG 86 2HH1 ARG 86 15.423 6.366 -15.363 647 HH21 ARG 86 1HH2 ARG 86 15.069 6.561 -11.962 648 HH22 ARG 86 2HH2 ARG 86 14.261 6.524 -13.487 649 H GLU 87 H GLU 87 22.199 4.172 -15.490 650 HA GLU 87 HA GLU 87 24.840 2.895 -15.146 651 HB2 GLU 87 2HB GLU 87 24.668 2.257 -17.587 652 HB3 GLU 87 1HB GLU 87 23.592 1.403 -16.488 653 HG2 GLU 87 2HG GLU 87 21.807 3.085 -17.139 654 HG3 GLU 87 1HG GLU 87 22.902 3.601 -18.421 655 H GLU 88 H GLU 88 26.457 4.228 -15.342 656 HA GLU 88 HA GLU 88 26.557 6.071 -17.622 657 HB2 GLU 88 2HB GLU 88 27.569 7.840 -16.320 658 HB3 GLU 88 1HB GLU 88 26.028 7.421 -15.592 659 HG2 GLU 88 2HG GLU 88 28.688 6.410 -14.590 660 HG3 GLU 88 1HG GLU 88 27.881 7.849 -13.972 661 H VAL 89 H VAL 89 28.955 6.826 -17.908 662 HA VAL 89 HA VAL 89 30.679 4.454 -17.469 663 HB VAL 89 HB VAL 89 30.725 6.356 -19.829 664 HG11 VAL 89 1HG1 VAL 89 32.958 5.516 -19.316 665 HG12 VAL 89 2HG1 VAL 89 32.352 4.786 -20.802 666 HG13 VAL 89 3HG1 VAL 89 32.350 3.859 -19.301 667 HG21 VAL 89 3HG2 VAL 89 28.771 4.881 -19.859 668 HG22 VAL 89 1HG2 VAL 89 29.820 3.476 -19.671 669 HG23 VAL 89 2HG2 VAL 89 29.909 4.454 -21.137 670 H LYS 90 H LYS 90 32.462 4.786 -16.275 671 HA LYS 90 HA LYS 90 33.315 7.354 -15.415 672 HB2 LYS 90 2HB LYS 90 34.735 4.685 -15.324 673 HB3 LYS 90 1HB LYS 90 35.325 6.141 -14.535 674 HG2 LYS 90 2HG LYS 90 33.276 6.213 -13.171 675 HG3 LYS 90 1HG LYS 90 32.732 4.718 -13.937 676 HD2 LYS 90 2HD LYS 90 34.665 3.531 -13.045 677 HD3 LYS 90 1HD LYS 90 35.284 5.027 -12.340 678 HE2 LYS 90 2HE LYS 90 32.713 3.618 -11.597 679 HE3 LYS 90 1HE LYS 90 34.197 3.663 -10.643 680 HZ1 LYS 90 3HZ LYS 90 32.425 5.957 -11.291 681 HZ2 LYS 90 1HZ LYS 90 33.929 6.108 -10.532 682 HZ3 LYS 90 2HZ LYS 90 32.684 5.261 -9.773 683 H ASN 91 H ASN 91 33.841 8.725 -17.051 684 HA ASN 91 HA ASN 91 36.379 8.339 -18.395 685 HB2 ASN 91 2HB ASN 91 34.715 7.196 -19.871 686 HB3 ASN 91 1HB ASN 91 33.844 8.716 -20.021 687 HD21 ASN 91 1HD2 ASN 91 34.141 8.738 -22.244 688 HD22 ASN 91 2HD2 ASN 91 35.667 9.094 -22.967 689 H ASP 92 H ASP 92 37.047 10.365 -19.576 690 HA ASP 92 HA ASP 92 36.488 12.619 -17.936 691 HB2 ASP 92 2HB ASP 92 37.971 13.849 -19.577 692 HB3 ASP 92 1HB ASP 92 38.693 12.449 -18.795 693 H LYS 93 H LYS 93 35.122 14.244 -18.151 694 HA LYS 93 HA LYS 93 33.329 14.301 -20.487 695 HB2 LYS 93 2HB LYS 93 32.440 14.003 -18.116 696 HB3 LYS 93 1HB LYS 93 32.926 15.665 -17.812 697 HG2 LYS 93 2HG LYS 93 30.580 15.619 -18.311 698 HG3 LYS 93 1HG LYS 93 31.424 16.391 -19.656 699 HD2 LYS 93 2HD LYS 93 31.266 14.386 -20.985 700 HD3 LYS 93 1HD LYS 93 30.622 13.474 -19.620 701 HE2 LYS 93 2HE LYS 93 29.265 15.811 -20.970 702 HE3 LYS 93 1HE LYS 93 28.871 14.112 -21.227 703 HZ1 LYS 93 3HZ LYS 93 27.332 15.032 -19.678 704 HZ2 LYS 93 1HZ LYS 93 28.566 15.648 -18.708 705 HZ3 LYS 93 2HZ LYS 93 28.334 13.977 -18.823 706 HA PRO 94 HA PRO 94 35.461 18.027 -21.891 707 HB2 PRO 94 2HB PRO 94 33.350 18.943 -23.469 708 HB3 PRO 94 1HB PRO 94 34.611 17.824 -23.992 709 HG2 PRO 94 2HG PRO 94 31.840 17.240 -23.022 710 HG3 PRO 94 1HG PRO 94 32.753 16.478 -24.339 711 HD2 PRO 94 2HD PRO 94 32.478 15.259 -21.975 712 HD3 PRO 94 1HD PRO 94 34.010 15.166 -22.872 713 H ILE 95 H ILE 95 35.664 19.516 -20.311 714 HA ILE 95 HA ILE 95 35.266 21.239 -18.898 715 HB ILE 95 HB ILE 95 32.907 21.793 -20.711 716 HG12 ILE 95 2HG1 ILE 95 35.726 22.917 -20.699 717 HG13 ILE 95 1HG1 ILE 95 35.075 21.793 -21.886 718 HG21 ILE 95 1HG2 ILE 95 34.250 23.563 -18.658 719 HG22 ILE 95 2HG2 ILE 95 32.610 22.918 -18.580 720 HG23 ILE 95 3HG2 ILE 95 33.034 24.097 -19.819 721 HD11 ILE 95 3HD1 ILE 95 34.176 24.631 -21.431 722 HD12 ILE 95 1HD1 ILE 95 33.459 23.507 -22.588 723 HD13 ILE 95 2HD1 ILE 95 35.132 24.027 -22.783 724 H LEU 96 H LEU 96 34.846 20.247 -16.988 725 HA LEU 96 HA LEU 96 32.351 18.981 -16.369 726 HB2 LEU 96 2HB LEU 96 34.706 18.485 -15.431 727 HB3 LEU 96 1HB LEU 96 34.435 19.842 -14.362 728 HG LEU 96 HG LEU 96 34.004 17.628 -13.311 729 HD11 LEU 96 1HD1 LEU 96 31.537 19.348 -13.505 730 HD12 LEU 96 2HD1 LEU 96 32.913 19.640 -12.442 731 HD13 LEU 96 3HD1 LEU 96 31.923 18.197 -12.226 732 HD21 LEU 96 3HD2 LEU 96 31.685 17.473 -15.240 733 HD22 LEU 96 1HD2 LEU 96 32.018 16.355 -13.916 734 HD23 LEU 96 2HD2 LEU 96 33.133 16.464 -15.275 735 H GLU 97 H GLU 97 30.548 20.123 -16.107 736 HA GLU 97 HA GLU 97 30.625 22.846 -15.026 737 HB2 GLU 97 2HB GLU 97 28.376 21.269 -16.303 738 HB3 GLU 97 1HB GLU 97 28.260 22.945 -15.781 739 HG2 GLU 97 2HG GLU 97 29.881 23.630 -17.418 740 HG3 GLU 97 1HG GLU 97 30.204 21.955 -17.862 Start of MODEL 18 1 H1 MET 1 1H MET 1 -35.881 -7.991 18.104 2 H2 MET 1 2H MET 1 -35.735 -7.146 19.562 3 H3 MET 1 3H MET 1 -36.429 -8.691 19.546 4 HA MET 1 HA MET 1 -33.611 -8.066 18.859 5 HB2 MET 1 2HB MET 1 -34.854 -9.258 21.347 6 HB3 MET 1 1HB MET 1 -33.133 -9.360 20.987 7 HG2 MET 1 2HG MET 1 -34.721 -6.826 21.371 8 HG3 MET 1 1HG MET 1 -33.599 -7.543 22.529 9 HE1 MET 1 3HE MET 1 -31.259 -8.572 20.604 10 HE2 MET 1 1HE MET 1 -30.974 -7.732 22.130 11 HE3 MET 1 2HE MET 1 -30.166 -7.190 20.661 12 H GLY 2 H GLY 2 -32.513 -10.472 19.640 13 HA2 GLY 2 2HA GLY 2 -33.036 -12.892 19.230 14 HA3 GLY 2 1HA GLY 2 -33.755 -12.364 17.717 15 H ASN 3 H ASN 3 -32.117 -10.889 16.427 16 HA ASN 3 HA ASN 3 -29.442 -12.144 16.503 17 HB2 ASN 3 2HB ASN 3 -31.031 -11.384 14.034 18 HB3 ASN 3 1HB ASN 3 -29.392 -12.030 14.036 19 HD21 ASN 3 1HD2 ASN 3 -32.750 -12.750 14.589 20 HD22 ASN 3 2HD2 ASN 3 -32.586 -14.468 14.552 21 H GLY 4 H GLY 4 -28.392 -10.472 17.531 22 HA2 GLY 4 2HA GLY 4 -28.605 -7.755 16.463 23 HA3 GLY 4 1HA GLY 4 -27.733 -8.243 17.909 24 H GLU 5 H GLU 5 -26.062 -10.189 16.987 25 HA GLU 5 HA GLU 5 -24.028 -8.703 15.660 26 HB2 GLU 5 2HB GLU 5 -23.464 -10.412 17.302 27 HB3 GLU 5 1HB GLU 5 -24.218 -11.653 16.312 28 HG2 GLU 5 2HG GLU 5 -22.522 -11.233 14.555 29 HG3 GLU 5 1HG GLU 5 -21.741 -10.071 15.626 30 H THR 6 H THR 6 -24.485 -8.120 13.581 31 HA THR 6 HA THR 6 -25.419 -10.092 11.646 32 HB THR 6 HB THR 6 -26.330 -7.826 11.470 33 HG1 THR 6 HG1 THR 6 -26.385 -8.149 9.385 34 HG21 THR 6 3HG2 THR 6 -24.392 -6.570 12.329 35 HG22 THR 6 1HG2 THR 6 -24.939 -5.937 10.776 36 HG23 THR 6 2HG2 THR 6 -23.498 -6.951 10.855 37 H SER 7 H SER 7 -24.269 -10.475 9.624 38 HA SER 7 HA SER 7 -21.461 -10.960 10.125 39 HB2 SER 7 2HB SER 7 -23.241 -11.637 7.774 40 HB3 SER 7 1HB SER 7 -21.528 -12.055 7.847 41 HG SER 7 HG SER 7 -23.604 -13.355 8.908 42 H ASP 8 H ASP 8 -20.354 -8.994 10.073 43 HA ASP 8 HA ASP 8 -20.432 -7.421 7.622 44 HB2 ASP 8 2HB ASP 8 -20.238 -6.145 9.660 45 HB3 ASP 8 1HB ASP 8 -18.820 -7.066 10.156 46 H LEU 9 H LEU 9 -19.042 -7.562 6.000 47 HA LEU 9 HA LEU 9 -16.795 -9.437 6.209 48 HB2 LEU 9 2HB LEU 9 -17.987 -8.144 3.747 49 HB3 LEU 9 1HB LEU 9 -16.785 -9.421 3.774 50 HG LEU 9 HG LEU 9 -19.646 -9.666 4.724 51 HD11 LEU 9 1HD1 LEU 9 -19.944 -11.159 2.823 52 HD12 LEU 9 2HD1 LEU 9 -18.283 -10.856 2.311 53 HD13 LEU 9 3HD1 LEU 9 -19.463 -9.545 2.297 54 HD21 LEU 9 3HD2 LEU 9 -19.153 -12.052 4.993 55 HD22 LEU 9 1HD2 LEU 9 -18.169 -11.058 6.066 56 HD23 LEU 9 2HD2 LEU 9 -17.460 -11.746 4.606 57 H GLU 10 H GLU 10 -14.786 -8.729 6.327 58 HA GLU 10 HA GLU 10 -14.076 -6.053 6.683 59 HB2 GLU 10 2HB GLU 10 -11.724 -6.856 6.570 60 HB3 GLU 10 1HB GLU 10 -12.737 -7.811 7.639 61 HG2 GLU 10 2HG GLU 10 -12.033 -8.611 4.822 62 HG3 GLU 10 1HG GLU 10 -11.136 -9.126 6.243 63 HA PRO 11 HA PRO 11 -13.518 -4.400 2.666 64 HB2 PRO 11 2HB PRO 11 -11.548 -2.585 2.983 65 HB3 PRO 11 1HB PRO 11 -13.127 -2.398 3.758 66 HG2 PRO 11 2HG PRO 11 -10.554 -3.414 4.920 67 HG3 PRO 11 1HG PRO 11 -11.729 -2.285 5.622 68 HD2 PRO 11 2HD PRO 11 -11.634 -4.940 6.267 69 HD3 PRO 11 1HD PRO 11 -13.124 -3.977 6.325 70 H LYS 12 H LYS 12 -12.431 -4.682 0.742 71 HA LYS 12 HA LYS 12 -10.225 -6.546 0.742 72 HB2 LYS 12 2HB LYS 12 -12.010 -6.831 -0.889 73 HB3 LYS 12 1HB LYS 12 -11.731 -5.218 -1.527 74 HG2 LYS 12 2HG LYS 12 -10.799 -6.946 -2.987 75 HG3 LYS 12 1HG LYS 12 -9.540 -5.888 -2.341 76 HD2 LYS 12 2HD LYS 12 -9.076 -7.610 -0.591 77 HD3 LYS 12 1HD LYS 12 -10.236 -8.676 -1.391 78 HE2 LYS 12 2HE LYS 12 -8.881 -8.651 -3.417 79 HE3 LYS 12 1HE LYS 12 -7.741 -7.536 -2.661 80 HZ1 LYS 12 3HZ LYS 12 -8.312 -10.323 -1.809 81 HZ2 LYS 12 1HZ LYS 12 -7.288 -9.252 -0.985 82 HZ3 LYS 12 2HZ LYS 12 -6.897 -9.761 -2.549 83 H LEU 13 H LEU 13 -8.296 -5.682 1.287 84 HA LEU 13 HA LEU 13 -7.459 -3.097 0.226 85 HB2 LEU 13 2HB LEU 13 -6.987 -3.664 2.573 86 HB3 LEU 13 1HB LEU 13 -6.029 -5.038 2.053 87 HG LEU 13 HG LEU 13 -4.407 -3.524 0.993 88 HD11 LEU 13 1HD1 LEU 13 -4.530 -1.109 1.363 89 HD12 LEU 13 2HD1 LEU 13 -6.113 -1.302 2.121 90 HD13 LEU 13 3HD1 LEU 13 -5.898 -1.686 0.412 91 HD21 LEU 13 3HD2 LEU 13 -4.991 -2.833 3.873 92 HD22 LEU 13 1HD2 LEU 13 -3.459 -2.573 3.038 93 HD23 LEU 13 2HD2 LEU 13 -4.051 -4.213 3.303 94 H THR 14 H THR 14 -6.777 -3.111 -1.812 95 HA THR 14 HA THR 14 -5.450 -5.451 -2.953 96 HB THR 14 HB THR 14 -6.318 -2.885 -4.315 97 HG1 THR 14 HG1 THR 14 -8.112 -4.009 -3.487 98 HG21 THR 14 3HG2 THR 14 -6.178 -4.204 -6.384 99 HG22 THR 14 1HG2 THR 14 -5.572 -5.583 -5.466 100 HG23 THR 14 2HG2 THR 14 -4.612 -4.109 -5.580 101 H VAL 15 H VAL 15 -3.314 -5.570 -2.740 102 HA VAL 15 HA VAL 15 -1.655 -3.147 -3.070 103 HB VAL 15 HB VAL 15 -1.325 -5.276 -0.930 104 HG11 VAL 15 1HG1 VAL 15 0.484 -2.932 -1.552 105 HG12 VAL 15 2HG1 VAL 15 0.871 -4.636 -1.792 106 HG13 VAL 15 3HG1 VAL 15 0.634 -4.008 -0.162 107 HG21 VAL 15 3HG2 VAL 15 -3.028 -3.639 -0.371 108 HG22 VAL 15 1HG2 VAL 15 -1.916 -2.317 -0.733 109 HG23 VAL 15 2HG2 VAL 15 -1.601 -3.387 0.635 110 HA PRO 16 HA PRO 16 0.656 -5.902 -5.793 111 HB2 PRO 16 2HB PRO 16 2.771 -4.302 -6.311 112 HB3 PRO 16 1HB PRO 16 1.171 -3.998 -6.999 113 HG2 PRO 16 2HG PRO 16 2.501 -2.703 -4.652 114 HG3 PRO 16 1HG PRO 16 1.538 -1.960 -5.940 115 HD2 PRO 16 2HD PRO 16 0.559 -2.545 -3.445 116 HD3 PRO 16 1HD PRO 16 -0.448 -2.460 -4.899 117 H VAL 17 H VAL 17 2.458 -7.285 -5.688 118 HA VAL 17 HA VAL 17 3.368 -7.868 -3.053 119 HB VAL 17 HB VAL 17 2.966 -9.628 -4.718 120 HG11 VAL 17 1HG1 VAL 17 5.428 -8.564 -6.108 121 HG12 VAL 17 2HG1 VAL 17 3.775 -8.506 -6.719 122 HG13 VAL 17 3HG1 VAL 17 4.585 -10.059 -6.514 123 HG21 VAL 17 3HG2 VAL 17 4.950 -10.996 -4.244 124 HG22 VAL 17 1HG2 VAL 17 4.412 -10.113 -2.815 125 HG23 VAL 17 2HG2 VAL 17 5.820 -9.555 -3.718 126 H GLY 18 H GLY 18 4.891 -6.223 -5.792 127 HA2 GLY 18 2HA GLY 18 6.822 -4.942 -4.193 128 HA3 GLY 18 1HA GLY 18 7.558 -6.366 -4.903 129 H ALA 19 H ALA 19 8.653 -3.973 -5.457 130 HA ALA 19 HA ALA 19 8.335 -3.796 -8.338 131 HB1 ALA 19 3HB ALA 19 7.913 -1.335 -6.633 132 HB2 ALA 19 1HB ALA 19 6.660 -2.180 -7.541 133 HB3 ALA 19 2HB ALA 19 7.979 -1.381 -8.394 134 H THR 20 H THR 20 10.228 -3.155 -9.359 135 HA THR 20 HA THR 20 12.505 -2.438 -7.598 136 HB THR 20 HB THR 20 12.610 -4.098 -10.138 137 HG1 THR 20 HG1 THR 20 11.751 -5.180 -8.248 138 HG21 THR 20 3HG2 THR 20 14.966 -4.458 -9.574 139 HG22 THR 20 1HG2 THR 20 14.805 -3.394 -8.175 140 HG23 THR 20 2HG2 THR 20 14.640 -2.740 -9.805 141 H ILE 21 H ILE 21 13.376 -0.499 -7.992 142 HA ILE 21 HA ILE 21 13.177 0.656 -10.705 143 HB ILE 21 HB ILE 21 12.800 2.891 -9.698 144 HG12 ILE 21 2HG1 ILE 21 12.402 1.333 -7.124 145 HG13 ILE 21 1HG1 ILE 21 13.729 2.441 -7.460 146 HG21 ILE 21 1HG2 ILE 21 10.712 0.816 -9.024 147 HG22 ILE 21 2HG2 ILE 21 10.905 1.648 -10.567 148 HG23 ILE 21 3HG2 ILE 21 10.423 2.552 -9.133 149 HD11 ILE 21 3HD1 ILE 21 12.052 3.471 -6.043 150 HD12 ILE 21 1HD1 ILE 21 10.816 3.183 -7.265 151 HD13 ILE 21 2HD1 ILE 21 12.146 4.295 -7.598 152 H HIS 22 H HIS 22 14.626 2.725 -10.830 153 HA HIS 22 HA HIS 22 17.221 2.113 -9.552 154 HB2 HIS 22 2HB HIS 22 16.627 3.279 -12.281 155 HB3 HIS 22 1HB HIS 22 18.231 3.289 -11.556 156 HD1 HIS 22 HD1 HIS 22 16.004 1.239 -13.579 157 HD2 HIS 22 HD2 HIS 22 19.287 0.605 -11.104 158 HE1 HIS 22 HE1 HIS 22 16.874 -1.035 -14.183 159 HE2 HIS 22 HE2 HIS 22 18.969 -1.302 -12.826 160 H VAL 23 H VAL 23 18.687 3.982 -9.312 161 HA VAL 23 HA VAL 23 17.622 6.158 -7.935 162 HB VAL 23 HB VAL 23 20.271 5.882 -9.379 163 HG11 VAL 23 1HG1 VAL 23 19.379 8.053 -7.473 164 HG12 VAL 23 2HG1 VAL 23 19.802 8.249 -9.172 165 HG13 VAL 23 3HG1 VAL 23 21.042 7.798 -8.001 166 HG21 VAL 23 3HG2 VAL 23 19.935 4.301 -7.546 167 HG22 VAL 23 1HG2 VAL 23 19.529 5.626 -6.453 168 HG23 VAL 23 2HG2 VAL 23 21.159 5.493 -7.113 169 H GLY 24 H GLY 24 16.311 7.685 -8.703 170 HA2 GLY 24 2HA GLY 24 16.218 9.677 -10.208 171 HA3 GLY 24 1HA GLY 24 16.629 8.580 -11.517 172 H ASP 25 H ASP 25 14.871 6.434 -10.552 173 HA ASP 25 HA ASP 25 12.451 7.299 -11.818 174 HB2 ASP 25 2HB ASP 25 13.129 4.721 -10.391 175 HB3 ASP 25 1HB ASP 25 11.619 5.003 -11.251 176 H SER 26 H SER 26 10.674 8.147 -10.934 177 HA SER 26 HA SER 26 10.460 8.424 -8.044 178 HB2 SER 26 2HB SER 26 8.607 9.393 -10.242 179 HB3 SER 26 1HB SER 26 8.488 9.823 -8.535 180 HG SER 26 HG SER 26 10.849 10.508 -8.967 181 H PHE 27 H PHE 27 8.826 7.560 -6.748 182 HA PHE 27 HA PHE 27 7.289 5.348 -7.967 183 HB2 PHE 27 2HB PHE 27 9.126 4.599 -6.467 184 HB3 PHE 27 1HB PHE 27 8.388 5.493 -5.144 185 HD1 PHE 27 HD2 PHE 27 7.859 2.688 -7.505 186 HD2 PHE 27 HD1 PHE 27 6.649 4.525 -3.853 187 HE1 PHE 27 HE2 PHE 27 6.498 0.715 -6.966 188 HE2 PHE 27 HE1 PHE 27 5.286 2.549 -3.314 189 HZ PHE 27 HZ PHE 27 5.207 0.642 -4.869 190 H VAL 28 H VAL 28 5.130 5.291 -7.642 191 HA VAL 28 HA VAL 28 3.948 7.318 -5.832 192 HB VAL 28 HB VAL 28 2.770 6.243 -8.409 193 HG11 VAL 28 1HG1 VAL 28 1.102 8.025 -8.122 194 HG12 VAL 28 2HG1 VAL 28 1.807 8.422 -6.555 195 HG13 VAL 28 3HG1 VAL 28 1.051 6.848 -6.810 196 HG21 VAL 28 3HG2 VAL 28 4.034 8.930 -7.826 197 HG22 VAL 28 1HG2 VAL 28 3.198 8.492 -9.316 198 HG23 VAL 28 2HG2 VAL 28 4.691 7.668 -8.869 199 HA PRO 29 HA PRO 29 2.584 3.314 -4.113 200 HB2 PRO 29 2HB PRO 29 2.331 4.099 -1.549 201 HB3 PRO 29 1HB PRO 29 3.909 3.809 -2.293 202 HG2 PRO 29 2HG PRO 29 2.488 6.409 -1.819 203 HG3 PRO 29 1HG PRO 29 4.195 6.005 -1.554 204 HD2 PRO 29 2HD PRO 29 3.282 7.338 -3.768 205 HD3 PRO 29 1HD PRO 29 4.741 6.328 -3.764 206 H MET 30 H MET 30 0.889 6.417 -3.707 207 HA MET 30 HA MET 30 -1.457 5.185 -2.554 208 HB2 MET 30 2HB MET 30 -0.944 7.996 -3.540 209 HB3 MET 30 1HB MET 30 -2.443 7.487 -2.778 210 HG2 MET 30 2HG MET 30 0.039 6.924 -1.272 211 HG3 MET 30 1HG MET 30 -0.405 8.619 -1.446 212 HE1 MET 30 3HE MET 30 -2.919 5.550 -1.213 213 HE2 MET 30 1HE MET 30 -3.179 5.477 0.532 214 HE3 MET 30 2HE MET 30 -1.599 5.078 -0.141 215 H ALA 31 H ALA 31 -0.358 5.558 -5.745 216 HA ALA 31 HA ALA 31 -3.047 5.535 -6.896 217 HB1 ALA 31 3HB ALA 31 -1.328 6.963 -7.922 218 HB2 ALA 31 1HB ALA 31 -1.951 5.759 -9.052 219 HB3 ALA 31 2HB ALA 31 -0.371 5.528 -8.295 220 H GLU 32 H GLU 32 -0.415 3.342 -6.229 221 HA GLU 32 HA GLU 32 -1.492 1.262 -7.975 222 HB2 GLU 32 2HB GLU 32 0.925 1.208 -6.150 223 HB3 GLU 32 1HB GLU 32 0.492 -0.033 -7.319 224 HG2 GLU 32 2HG GLU 32 1.311 2.808 -7.919 225 HG3 GLU 32 1HG GLU 32 2.261 1.348 -8.195 226 H VAL 33 H VAL 33 -2.032 2.281 -4.822 227 HA VAL 33 HA VAL 33 -2.868 -0.421 -3.965 228 HB VAL 33 HB VAL 33 -2.172 1.953 -2.218 229 HG11 VAL 33 1HG1 VAL 33 -2.376 0.370 -0.343 230 HG12 VAL 33 2HG1 VAL 33 -2.936 -0.874 -1.462 231 HG13 VAL 33 3HG1 VAL 33 -3.906 0.574 -1.198 232 HG21 VAL 33 3HG2 VAL 33 -0.223 0.627 -1.542 233 HG22 VAL 33 1HG2 VAL 33 -0.198 0.964 -3.273 234 HG23 VAL 33 2HG2 VAL 33 -0.677 -0.632 -2.691 235 H LEU 34 H LEU 34 -4.974 -0.793 -3.692 236 HA LEU 34 HA LEU 34 -6.828 1.499 -3.406 237 HB2 LEU 34 2HB LEU 34 -7.122 -0.992 -5.081 238 HB3 LEU 34 1HB LEU 34 -8.515 -0.055 -4.586 239 HG LEU 34 HG LEU 34 -7.977 0.558 -6.825 240 HD11 LEU 34 1HD1 LEU 34 -6.996 2.733 -4.982 241 HD12 LEU 34 2HD1 LEU 34 -8.681 2.383 -5.364 242 HD13 LEU 34 3HD1 LEU 34 -7.590 2.946 -6.628 243 HD21 LEU 34 3HD2 LEU 34 -5.821 1.415 -7.530 244 HD22 LEU 34 1HD2 LEU 34 -5.644 -0.209 -6.864 245 HD23 LEU 34 2HD2 LEU 34 -5.174 1.195 -5.904 246 H ALA 35 H ALA 35 -8.769 1.103 -2.181 247 HA ALA 35 HA ALA 35 -8.947 -1.463 -0.754 248 HB1 ALA 35 3HB ALA 35 -7.729 0.059 0.746 249 HB2 ALA 35 1HB ALA 35 -9.308 -0.380 1.396 250 HB3 ALA 35 2HB ALA 35 -9.066 1.204 0.659 251 H ILE 36 H ILE 36 -10.967 -2.240 -0.894 252 HA ILE 36 HA ILE 36 -13.217 -0.349 -1.253 253 HB ILE 36 HB ILE 36 -12.840 -2.958 -2.748 254 HG12 ILE 36 2HG1 ILE 36 -11.394 -1.143 -3.600 255 HG13 ILE 36 1HG1 ILE 36 -12.642 -1.577 -4.762 256 HG21 ILE 36 1HG2 ILE 36 -15.182 -2.584 -2.249 257 HG22 ILE 36 2HG2 ILE 36 -14.890 -2.317 -3.968 258 HG23 ILE 36 3HG2 ILE 36 -15.086 -0.941 -2.880 259 HD11 ILE 36 3HD1 ILE 36 -12.335 0.819 -4.673 260 HD12 ILE 36 1HD1 ILE 36 -12.674 0.823 -2.941 261 HD13 ILE 36 2HD1 ILE 36 -13.940 0.385 -4.087 262 H ASP 37 H ASP 37 -14.644 -0.576 0.365 263 HA ASP 37 HA ASP 37 -15.031 -3.176 1.648 264 HB2 ASP 37 2HB ASP 37 -14.831 -1.280 3.158 265 HB3 ASP 37 1HB ASP 37 -16.144 -0.443 2.331 266 H LYS 38 H LYS 38 -17.125 -4.127 1.847 267 HA LYS 38 HA LYS 38 -18.495 -4.024 -0.677 268 HB2 LYS 38 2HB LYS 38 -19.064 -5.731 1.754 269 HB3 LYS 38 1HB LYS 38 -19.715 -5.982 0.137 270 HG2 LYS 38 2HG LYS 38 -17.439 -6.342 -0.718 271 HG3 LYS 38 1HG LYS 38 -16.799 -6.108 0.906 272 HD2 LYS 38 2HD LYS 38 -16.870 -8.427 0.663 273 HD3 LYS 38 1HD LYS 38 -18.328 -8.062 1.583 274 HE2 LYS 38 2HE LYS 38 -18.288 -8.417 -1.414 275 HE3 LYS 38 1HE LYS 38 -18.603 -9.732 -0.283 276 HZ1 LYS 38 3HZ LYS 38 -20.672 -8.889 -1.026 277 HZ2 LYS 38 1HZ LYS 38 -20.231 -7.290 -0.706 278 HZ3 LYS 38 2HZ LYS 38 -20.486 -8.371 0.570 279 H GLU 39 H GLU 39 -19.318 -3.021 2.641 280 HA GLU 39 HA GLU 39 -22.039 -2.352 1.838 281 HB2 GLU 39 2HB GLU 39 -20.784 -1.450 4.420 282 HB3 GLU 39 1HB GLU 39 -22.478 -1.747 4.066 283 HG2 GLU 39 2HG GLU 39 -21.992 -3.583 5.334 284 HG3 GLU 39 1HG GLU 39 -21.646 -4.220 3.726 285 H ASP 40 H ASP 40 -19.206 -0.478 2.965 286 HA ASP 40 HA ASP 40 -20.529 2.034 2.559 287 HB2 ASP 40 2HB ASP 40 -18.822 1.631 4.320 288 HB3 ASP 40 1HB ASP 40 -17.597 1.465 3.068 289 H GLY 41 H GLY 41 -17.824 0.397 0.896 290 HA2 GLY 41 2HA GLY 41 -17.823 0.625 -1.593 291 HA3 GLY 41 1HA GLY 41 -18.109 2.339 -1.327 292 H ASP 42 H ASP 42 -16.263 3.226 -2.165 293 HA ASP 42 HA ASP 42 -13.685 2.069 -1.917 294 HB2 ASP 42 2HB ASP 42 -14.261 3.584 -3.748 295 HB3 ASP 42 1HB ASP 42 -14.475 4.909 -2.609 296 H LEU 43 H LEU 43 -12.379 2.019 -0.220 297 HA LEU 43 HA LEU 43 -12.472 4.192 1.786 298 HB2 LEU 43 2HB LEU 43 -11.694 1.292 2.177 299 HB3 LEU 43 1HB LEU 43 -11.600 2.535 3.411 300 HG LEU 43 HG LEU 43 -14.120 1.468 2.126 301 HD11 LEU 43 1HD1 LEU 43 -14.614 0.620 4.369 302 HD12 LEU 43 2HD1 LEU 43 -13.053 1.213 4.939 303 HD13 LEU 43 3HD1 LEU 43 -13.123 -0.067 3.728 304 HD21 LEU 43 3HD2 LEU 43 -13.803 3.603 4.243 305 HD22 LEU 43 1HD2 LEU 43 -15.332 2.901 3.710 306 HD23 LEU 43 2HD2 LEU 43 -14.359 3.850 2.587 307 H THR 44 H THR 44 -10.835 3.791 -0.761 308 HA THR 44 HA THR 44 -8.186 3.092 -0.156 309 HB THR 44 HB THR 44 -9.158 5.011 -2.292 310 HG1 THR 44 HG1 THR 44 -10.043 3.147 -2.907 311 HG21 THR 44 3HG2 THR 44 -6.554 3.475 -2.094 312 HG22 THR 44 1HG2 THR 44 -6.738 5.220 -1.917 313 HG23 THR 44 2HG2 THR 44 -7.073 4.451 -3.468 314 H SER 45 H SER 45 -9.880 6.145 0.258 315 HA SER 45 HA SER 45 -7.549 7.745 0.718 316 HB2 SER 45 2HB SER 45 -10.423 8.260 1.547 317 HB3 SER 45 1HB SER 45 -9.126 9.453 1.538 318 HG SER 45 HG SER 45 -10.653 9.250 -0.372 319 H LYS 46 H LYS 46 -9.129 5.426 2.630 320 HA LYS 46 HA LYS 46 -8.286 6.582 5.180 321 HB2 LYS 46 2HB LYS 46 -9.816 4.059 4.539 322 HB3 LYS 46 1HB LYS 46 -9.404 4.586 6.167 323 HG2 LYS 46 2HG LYS 46 -10.690 6.662 5.792 324 HG3 LYS 46 1HG LYS 46 -11.161 6.052 4.203 325 HD2 LYS 46 2HD LYS 46 -12.259 4.142 5.240 326 HD3 LYS 46 1HD LYS 46 -11.744 4.694 6.835 327 HE2 LYS 46 2HE LYS 46 -13.567 6.222 4.971 328 HE3 LYS 46 1HE LYS 46 -14.104 5.249 6.339 329 HZ1 LYS 46 3HZ LYS 46 -12.837 6.712 7.805 330 HZ2 LYS 46 1HZ LYS 46 -14.005 7.568 6.931 331 HZ3 LYS 46 2HZ LYS 46 -12.376 7.664 6.484 332 H ILE 47 H ILE 47 -6.810 4.796 2.820 333 HA ILE 47 HA ILE 47 -5.476 2.777 4.316 334 HB ILE 47 HB ILE 47 -4.659 4.080 1.706 335 HG12 ILE 47 2HG1 ILE 47 -6.128 1.480 2.252 336 HG13 ILE 47 1HG1 ILE 47 -6.859 2.953 1.622 337 HG21 ILE 47 1HG2 ILE 47 -3.672 1.514 2.974 338 HG22 ILE 47 2HG2 ILE 47 -2.749 3.008 2.798 339 HG23 ILE 47 3HG2 ILE 47 -3.241 2.102 1.367 340 HD11 ILE 47 3HD1 ILE 47 -5.421 2.779 -0.369 341 HD12 ILE 47 1HD1 ILE 47 -6.487 1.388 -0.162 342 HD13 ILE 47 2HD1 ILE 47 -4.780 1.259 0.258 343 H LYS 48 H LYS 48 -3.997 3.064 5.842 344 HA LYS 48 HA LYS 48 -2.386 5.493 5.951 345 HB2 LYS 48 2HB LYS 48 -3.461 4.428 7.993 346 HB3 LYS 48 1HB LYS 48 -2.299 3.119 7.828 347 HG2 LYS 48 2HG LYS 48 -1.497 4.644 9.483 348 HG3 LYS 48 1HG LYS 48 -0.468 4.785 8.056 349 HD2 LYS 48 2HD LYS 48 -1.692 6.801 7.370 350 HD3 LYS 48 1HD LYS 48 -2.734 6.654 8.787 351 HE2 LYS 48 2HE LYS 48 -0.748 6.912 10.235 352 HE3 LYS 48 1HE LYS 48 0.252 7.122 8.798 353 HZ1 LYS 48 3HZ LYS 48 -0.284 9.253 9.697 354 HZ2 LYS 48 1HZ LYS 48 -1.940 8.904 9.707 355 HZ3 LYS 48 2HZ LYS 48 -1.124 9.076 8.240 356 H VAL 49 H VAL 49 -0.331 5.612 5.200 357 HA VAL 49 HA VAL 49 0.876 3.182 4.089 358 HB VAL 49 HB VAL 49 1.695 6.075 3.696 359 HG11 VAL 49 1HG1 VAL 49 2.999 5.221 1.791 360 HG12 VAL 49 2HG1 VAL 49 2.558 3.571 2.231 361 HG13 VAL 49 3HG1 VAL 49 3.553 4.538 3.319 362 HG21 VAL 49 3HG2 VAL 49 0.054 4.253 1.923 363 HG22 VAL 49 1HG2 VAL 49 0.642 5.855 1.473 364 HG23 VAL 49 2HG2 VAL 49 -0.525 5.680 2.783 365 H ASP 50 H ASP 50 2.604 2.218 4.946 366 HA ASP 50 HA ASP 50 4.294 3.686 6.879 367 HB2 ASP 50 2HB ASP 50 2.870 1.941 7.955 368 HB3 ASP 50 1HB ASP 50 3.616 0.729 6.923 369 H GLY 51 H GLY 51 6.540 3.350 6.737 370 HA2 GLY 51 2HA GLY 51 8.357 1.887 5.891 371 HA3 GLY 51 1HA GLY 51 7.452 1.786 4.389 372 H GLU 52 H GLU 52 9.283 2.536 3.233 373 HA GLU 52 HA GLU 52 9.370 5.371 2.886 374 HB2 GLU 52 2HB GLU 52 11.708 5.748 3.489 375 HB3 GLU 52 1HB GLU 52 10.801 5.187 4.888 376 HG2 GLU 52 2HG GLU 52 11.687 2.893 4.468 377 HG3 GLU 52 1HG GLU 52 12.686 3.566 3.182 378 H VAL 53 H VAL 53 10.159 5.903 0.867 379 HA VAL 53 HA VAL 53 11.651 3.824 -0.609 380 HB VAL 53 HB VAL 53 9.546 5.661 -1.794 381 HG11 VAL 53 1HG1 VAL 53 11.220 3.501 -3.091 382 HG12 VAL 53 2HG1 VAL 53 11.370 5.236 -3.362 383 HG13 VAL 53 3HG1 VAL 53 9.910 4.390 -3.872 384 HG21 VAL 53 3HG2 VAL 53 8.550 3.864 -0.472 385 HG22 VAL 53 1HG2 VAL 53 9.503 2.671 -1.356 386 HG23 VAL 53 2HG2 VAL 53 8.265 3.606 -2.193 387 H ASP 54 H ASP 54 13.688 4.596 -0.794 388 HA ASP 54 HA ASP 54 14.121 7.455 -1.275 389 HB2 ASP 54 2HB ASP 54 15.492 5.969 0.376 390 HB3 ASP 54 1HB ASP 54 16.306 5.376 -1.066 391 H THR 55 H THR 55 14.820 8.273 -3.234 392 HA THR 55 HA THR 55 14.913 6.353 -5.479 393 HB THR 55 HB THR 55 14.322 8.212 -6.949 394 HG1 THR 55 HG1 THR 55 15.052 10.071 -6.132 395 HG21 THR 55 3HG2 THR 55 12.052 8.657 -6.109 396 HG22 THR 55 1HG2 THR 55 12.523 8.063 -4.515 397 HG23 THR 55 2HG2 THR 55 12.494 6.965 -5.896 398 H THR 56 H THR 56 17.014 7.994 -3.587 399 HA THR 56 HA THR 56 18.982 8.329 -5.770 400 HB THR 56 HB THR 56 20.204 9.913 -4.342 401 HG1 THR 56 HG1 THR 56 18.229 9.157 -2.500 402 HG21 THR 56 3HG2 THR 56 17.282 10.632 -4.659 403 HG22 THR 56 1HG2 THR 56 18.535 10.818 -5.887 404 HG23 THR 56 2HG2 THR 56 18.598 11.781 -4.410 405 H LYS 57 H LYS 57 18.283 6.741 -2.763 406 HA LYS 57 HA LYS 57 21.026 5.644 -2.653 407 HB2 LYS 57 2HB LYS 57 20.214 6.942 -0.656 408 HB3 LYS 57 1HB LYS 57 18.981 5.711 -0.420 409 HG2 LYS 57 2HG LYS 57 20.731 4.021 -0.100 410 HG3 LYS 57 1HG LYS 57 21.966 5.264 -0.327 411 HD2 LYS 57 2HD LYS 57 21.018 6.482 1.637 412 HD3 LYS 57 1HD LYS 57 19.908 5.133 1.887 413 HE2 LYS 57 2HE LYS 57 22.925 5.006 1.987 414 HE3 LYS 57 1HE LYS 57 21.832 4.952 3.369 415 HZ1 LYS 57 3HZ LYS 57 20.917 2.883 2.508 416 HZ2 LYS 57 1HZ LYS 57 22.582 2.751 2.765 417 HZ3 LYS 57 2HZ LYS 57 21.984 2.935 1.200 418 H ALA 58 H ALA 58 21.264 3.584 -3.236 419 HA ALA 58 HA ALA 58 19.048 1.980 -4.030 420 HB1 ALA 58 3HB ALA 58 21.962 1.238 -3.749 421 HB2 ALA 58 1HB ALA 58 21.186 1.884 -5.196 422 HB3 ALA 58 2HB ALA 58 20.733 0.291 -4.588 423 H GLY 59 H GLY 59 18.201 0.122 -3.162 424 HA2 GLY 59 2HA GLY 59 19.024 -1.596 -1.259 425 HA3 GLY 59 1HA GLY 59 18.483 -0.233 -0.289 426 H THR 60 H THR 60 17.302 -2.788 -0.098 427 HA THR 60 HA THR 60 14.717 -2.493 -1.478 428 HB THR 60 HB THR 60 15.833 -4.799 0.139 429 HG1 THR 60 HG1 THR 60 16.698 -5.058 -1.808 430 HG21 THR 60 3HG2 THR 60 13.830 -6.048 -0.566 431 HG22 THR 60 1HG2 THR 60 13.169 -4.579 -1.282 432 HG23 THR 60 2HG2 THR 60 13.409 -4.679 0.464 433 H TYR 61 H TYR 61 13.033 -1.605 -0.474 434 HA TYR 61 HA TYR 61 13.024 -1.452 2.480 435 HB2 TYR 61 2HB TYR 61 11.742 0.561 0.617 436 HB3 TYR 61 1HB TYR 61 12.030 0.721 2.346 437 HD1 TYR 61 HD1 TYR 61 14.419 0.972 3.165 438 HD2 TYR 61 HD2 TYR 61 13.380 1.215 -0.961 439 HE1 TYR 61 HE1 TYR 61 16.557 2.092 2.691 440 HE2 TYR 61 HE2 TYR 61 15.514 2.334 -1.441 441 HH TYR 61 HH TYR 61 17.238 3.558 -0.370 442 H VAL 62 H VAL 62 11.167 -2.059 3.523 443 HA VAL 62 HA VAL 62 9.040 -3.230 1.882 444 HB VAL 62 HB VAL 62 9.456 -3.430 4.875 445 HG11 VAL 62 1HG1 VAL 62 7.883 -5.341 4.711 446 HG12 VAL 62 2HG1 VAL 62 7.617 -4.947 3.012 447 HG13 VAL 62 3HG1 VAL 62 7.136 -3.806 4.268 448 HG21 VAL 62 3HG2 VAL 62 11.314 -4.452 3.648 449 HG22 VAL 62 1HG2 VAL 62 10.174 -5.399 2.691 450 HG23 VAL 62 2HG2 VAL 62 10.321 -5.684 4.426 451 H LEU 63 H LEU 63 7.067 -2.389 1.689 452 HA LEU 63 HA LEU 63 6.313 -0.064 3.343 453 HB2 LEU 63 2HB LEU 63 5.252 -0.925 0.639 454 HB3 LEU 63 1HB LEU 63 4.765 0.514 1.518 455 HG LEU 63 HG LEU 63 7.522 -0.011 0.387 456 HD11 LEU 63 1HD1 LEU 63 5.357 1.891 -0.506 457 HD12 LEU 63 2HD1 LEU 63 5.872 0.428 -1.347 458 HD13 LEU 63 3HD1 LEU 63 6.984 1.787 -1.179 459 HD21 LEU 63 3HD2 LEU 63 7.650 1.319 2.419 460 HD22 LEU 63 1HD2 LEU 63 6.418 2.420 1.800 461 HD23 LEU 63 2HD2 LEU 63 7.991 2.318 1.007 462 H THR 64 H THR 64 4.515 -0.171 4.612 463 HA THR 64 HA THR 64 2.798 -2.576 4.375 464 HB THR 64 HB THR 64 3.426 -1.039 6.918 465 HG1 THR 64 HG1 THR 64 5.195 -2.289 6.519 466 HG21 THR 64 3HG2 THR 64 1.169 -1.998 6.938 467 HG22 THR 64 1HG2 THR 64 2.226 -2.862 8.056 468 HG23 THR 64 2HG2 THR 64 1.824 -3.573 6.493 469 H TYR 65 H TYR 65 0.651 -2.255 4.107 470 HA TYR 65 HA TYR 65 -0.398 0.498 4.387 471 HB2 TYR 65 2HB TYR 65 -1.247 -1.605 2.373 472 HB3 TYR 65 1HB TYR 65 -1.891 0.029 2.499 473 HD1 TYR 65 HD2 TYR 65 -0.447 1.975 1.904 474 HD2 TYR 65 HD1 TYR 65 0.819 -2.038 1.241 475 HE1 TYR 65 HE2 TYR 65 1.294 2.783 0.366 476 HE2 TYR 65 HE1 TYR 65 2.562 -1.239 -0.295 477 HH TYR 65 HH TYR 65 3.473 2.013 -0.518 478 H THR 66 H THR 66 -2.207 0.767 5.607 479 HA THR 66 HA THR 66 -3.720 -1.647 6.429 480 HB THR 66 HB THR 66 -2.894 0.657 8.224 481 HG1 THR 66 HG1 THR 66 -1.718 -1.690 7.634 482 HG21 THR 66 3HG2 THR 66 -5.147 -0.107 8.798 483 HG22 THR 66 1HG2 THR 66 -3.990 -0.603 10.035 484 HG23 THR 66 2HG2 THR 66 -4.580 -1.776 8.856 485 H VAL 67 H VAL 67 -5.943 -1.456 6.509 486 HA VAL 67 HA VAL 67 -7.154 1.214 6.325 487 HB VAL 67 HB VAL 67 -6.936 0.427 3.996 488 HG11 VAL 67 1HG1 VAL 67 -8.243 -1.493 3.201 489 HG12 VAL 67 2HG1 VAL 67 -8.701 -1.865 4.863 490 HG13 VAL 67 3HG1 VAL 67 -7.011 -1.975 4.368 491 HG21 VAL 67 3HG2 VAL 67 -8.793 1.894 4.581 492 HG22 VAL 67 1HG2 VAL 67 -9.790 0.500 4.995 493 HG23 VAL 67 2HG2 VAL 67 -9.281 0.756 3.325 494 H THR 68 H THR 68 -9.298 1.346 7.102 495 HA THR 68 HA THR 68 -10.094 -0.952 8.789 496 HB THR 68 HB THR 68 -10.808 1.958 9.250 497 HG1 THR 68 HG1 THR 68 -8.560 1.688 9.471 498 HG21 THR 68 3HG2 THR 68 -10.954 -0.476 11.043 499 HG22 THR 68 1HG2 THR 68 -12.326 0.369 10.328 500 HG23 THR 68 2HG2 THR 68 -11.323 1.177 11.535 501 H ASP 69 H ASP 69 -12.218 -1.601 8.886 502 HA ASP 69 HA ASP 69 -13.868 -1.181 6.586 503 HB2 ASP 69 2HB ASP 69 -13.582 -3.290 8.064 504 HB3 ASP 69 1HB ASP 69 -14.714 -2.520 9.162 505 H SER 70 H SER 70 -16.251 -0.644 6.817 506 HA SER 70 HA SER 70 -16.677 1.840 8.143 507 HB2 SER 70 2HB SER 70 -17.887 1.212 6.078 508 HB3 SER 70 1HB SER 70 -18.727 -0.061 6.965 509 HG SER 70 HG SER 70 -19.173 2.659 6.923 510 H LYS 71 H LYS 71 -17.339 -1.515 9.002 511 HA LYS 71 HA LYS 71 -18.693 -0.674 11.465 512 HB2 LYS 71 2HB LYS 71 -18.328 -3.380 10.192 513 HB3 LYS 71 1HB LYS 71 -18.961 -3.189 11.817 514 HG2 LYS 71 2HG LYS 71 -20.798 -3.471 10.314 515 HG3 LYS 71 1HG LYS 71 -20.807 -1.806 10.891 516 HD2 LYS 71 2HD LYS 71 -19.828 -1.041 8.806 517 HD3 LYS 71 1HD LYS 71 -19.678 -2.702 8.230 518 HE2 LYS 71 2HE LYS 71 -21.610 -1.603 7.224 519 HE3 LYS 71 1HE LYS 71 -22.123 -2.929 8.267 520 HZ1 LYS 71 3HZ LYS 71 -22.107 -0.068 9.057 521 HZ2 LYS 71 1HZ LYS 71 -22.698 -1.359 9.976 522 HZ3 LYS 71 2HZ LYS 71 -23.471 -0.917 8.539 523 H GLY 72 H GLY 72 -15.516 -1.419 10.509 524 HA2 GLY 72 2HA GLY 72 -13.854 -0.760 12.169 525 HA3 GLY 72 1HA GLY 72 -14.792 -1.608 13.377 526 H HIS 73 H HIS 73 -14.309 -3.311 10.375 527 HA HIS 73 HA HIS 73 -12.358 -5.090 11.577 528 HB2 HIS 73 2HB HIS 73 -13.718 -5.007 8.888 529 HB3 HIS 73 1HB HIS 73 -12.356 -6.082 9.175 530 HD1 HIS 73 HD1 HIS 73 -15.966 -5.640 9.933 531 HD2 HIS 73 HD2 HIS 73 -12.885 -8.247 10.876 532 HE1 HIS 73 HE1 HIS 73 -17.088 -7.650 10.918 533 HE2 HIS 73 HE2 HIS 73 -15.184 -9.101 11.718 534 H GLU 74 H GLU 74 -10.208 -4.720 11.553 535 HA GLU 74 HA GLU 74 -9.112 -2.803 9.597 536 HB2 GLU 74 2HB GLU 74 -8.764 -2.223 11.947 537 HB3 GLU 74 1HB GLU 74 -7.983 -3.773 12.236 538 HG2 GLU 74 2HG GLU 74 -6.177 -3.150 10.704 539 HG3 GLU 74 1HG GLU 74 -6.963 -1.599 10.411 540 H VAL 75 H VAL 75 -8.008 -3.594 7.918 541 HA VAL 75 HA VAL 75 -6.554 -6.155 8.227 542 HB VAL 75 HB VAL 75 -6.931 -6.592 5.837 543 HG11 VAL 75 1HG1 VAL 75 -9.494 -6.094 7.360 544 HG12 VAL 75 2HG1 VAL 75 -8.480 -7.533 7.474 545 HG13 VAL 75 3HG1 VAL 75 -9.309 -7.157 5.964 546 HG21 VAL 75 3HG2 VAL 75 -8.569 -5.250 4.568 547 HG22 VAL 75 1HG2 VAL 75 -7.145 -4.310 5.017 548 HG23 VAL 75 2HG2 VAL 75 -8.654 -4.105 5.906 549 H THR 76 H THR 76 -4.606 -6.389 6.866 550 HA THR 76 HA THR 76 -3.417 -3.894 5.901 551 HB THR 76 HB THR 76 -2.796 -3.896 8.261 552 HG1 THR 76 HG1 THR 76 -0.467 -3.904 7.912 553 HG21 THR 76 3HG2 THR 76 -1.367 -5.648 9.204 554 HG22 THR 76 1HG2 THR 76 -1.487 -6.569 7.705 555 HG23 THR 76 2HG2 THR 76 -2.922 -6.306 8.698 556 H ALA 77 H ALA 77 -1.669 -4.135 4.503 557 HA ALA 77 HA ALA 77 -0.785 -6.841 3.774 558 HB1 ALA 77 3HB ALA 77 -1.915 -4.883 1.765 559 HB2 ALA 77 1HB ALA 77 -2.703 -6.361 2.316 560 HB3 ALA 77 2HB ALA 77 -1.201 -6.454 1.396 561 H LYS 78 H LYS 78 1.118 -6.740 2.199 562 HA LYS 78 HA LYS 78 2.752 -4.339 2.763 563 HB2 LYS 78 2HB LYS 78 3.521 -7.235 3.158 564 HB3 LYS 78 1HB LYS 78 4.682 -5.914 3.168 565 HG2 LYS 78 2HG LYS 78 3.792 -4.995 5.146 566 HG3 LYS 78 1HG LYS 78 2.316 -5.955 5.027 567 HD2 LYS 78 2HD LYS 78 5.074 -7.105 5.491 568 HD3 LYS 78 1HD LYS 78 3.909 -6.762 6.770 569 HE2 LYS 78 2HE LYS 78 2.314 -8.315 5.699 570 HE3 LYS 78 1HE LYS 78 3.521 -8.688 4.471 571 HZ1 LYS 78 3HZ LYS 78 3.454 -10.359 6.212 572 HZ2 LYS 78 1HZ LYS 78 3.813 -9.191 7.383 573 HZ3 LYS 78 2HZ LYS 78 4.952 -9.575 6.196 574 H GLN 79 H GLN 79 4.414 -3.855 1.341 575 HA GLN 79 HA GLN 79 4.575 -5.364 -1.189 576 HB2 GLN 79 2HB GLN 79 3.230 -3.417 -1.676 577 HB3 GLN 79 1HB GLN 79 4.356 -2.365 -0.822 578 HG2 GLN 79 2HG GLN 79 6.074 -2.884 -2.538 579 HG3 GLN 79 1HG GLN 79 4.868 -3.826 -3.411 580 HE21 GLN 79 1HE2 GLN 79 4.108 -0.846 -1.747 581 HE22 GLN 79 2HE2 GLN 79 3.821 0.084 -3.167 582 H THR 80 H THR 80 6.645 -5.554 -2.068 583 HA THR 80 HA THR 80 8.850 -4.547 -0.367 584 HB THR 80 HB THR 80 8.802 -6.970 -2.188 585 HG1 THR 80 HG1 THR 80 7.707 -7.481 -0.340 586 HG21 THR 80 3HG2 THR 80 11.039 -6.008 -2.127 587 HG22 THR 80 1HG2 THR 80 10.998 -7.503 -1.191 588 HG23 THR 80 2HG2 THR 80 10.987 -5.945 -0.364 589 H VAL 81 H VAL 81 9.747 -2.754 -1.249 590 HA VAL 81 HA VAL 81 10.024 -2.573 -4.182 591 HB VAL 81 HB VAL 81 10.273 -0.389 -2.098 592 HG11 VAL 81 1HG1 VAL 81 10.254 -0.219 -5.119 593 HG12 VAL 81 2HG1 VAL 81 11.638 0.086 -4.068 594 HG13 VAL 81 3HG1 VAL 81 10.237 1.157 -4.015 595 HG21 VAL 81 3HG2 VAL 81 7.980 -1.198 -2.276 596 HG22 VAL 81 1HG2 VAL 81 8.033 -1.017 -4.031 597 HG23 VAL 81 2HG2 VAL 81 8.115 0.408 -2.994 598 H THR 82 H THR 82 11.978 -2.603 -5.157 599 HA THR 82 HA THR 82 14.404 -2.502 -3.464 600 HB THR 82 HB THR 82 13.970 -4.132 -5.985 601 HG1 THR 82 HG1 THR 82 14.482 -5.058 -3.333 602 HG21 THR 82 3HG2 THR 82 16.401 -3.947 -4.187 603 HG22 THR 82 1HG2 THR 82 16.285 -3.337 -5.838 604 HG23 THR 82 2HG2 THR 82 16.204 -5.072 -5.530 605 H VAL 83 H VAL 83 15.614 -0.747 -3.848 606 HA VAL 83 HA VAL 83 15.497 0.556 -6.489 607 HB VAL 83 HB VAL 83 16.644 1.640 -3.902 608 HG11 VAL 83 1HG1 VAL 83 16.558 3.818 -5.041 609 HG12 VAL 83 2HG1 VAL 83 15.990 3.026 -6.511 610 HG13 VAL 83 3HG1 VAL 83 17.606 2.681 -5.893 611 HG21 VAL 83 3HG2 VAL 83 13.938 2.120 -5.160 612 HG22 VAL 83 1HG2 VAL 83 14.592 3.011 -3.786 613 HG23 VAL 83 2HG2 VAL 83 14.261 1.284 -3.639 614 H LYS 84 H LYS 84 17.311 0.821 -7.760 615 HA LYS 84 HA LYS 84 19.898 -0.167 -6.725 616 HB2 LYS 84 2HB LYS 84 18.684 -0.754 -9.436 617 HB3 LYS 84 1HB LYS 84 20.342 -1.131 -8.986 618 HG2 LYS 84 2HG LYS 84 19.483 -2.588 -7.175 619 HG3 LYS 84 1HG LYS 84 17.841 -2.260 -7.734 620 HD2 LYS 84 2HD LYS 84 18.657 -4.402 -8.590 621 HD3 LYS 84 1HD LYS 84 18.371 -3.259 -9.902 622 HE2 LYS 84 2HE LYS 84 20.458 -4.492 -10.235 623 HE3 LYS 84 1HE LYS 84 20.759 -2.769 -10.022 624 HZ1 LYS 84 3HZ LYS 84 22.328 -4.142 -8.777 625 HZ2 LYS 84 1HZ LYS 84 21.055 -4.827 -7.901 626 HZ3 LYS 84 2HZ LYS 84 21.402 -3.182 -7.741 627 H VAL 85 H VAL 85 21.800 0.635 -7.895 628 HA VAL 85 HA VAL 85 21.530 3.479 -8.340 629 HB VAL 85 HB VAL 85 24.071 1.871 -8.647 630 HG11 VAL 85 1HG1 VAL 85 25.163 3.965 -7.963 631 HG12 VAL 85 2HG1 VAL 85 23.586 4.752 -7.865 632 HG13 VAL 85 3HG1 VAL 85 24.192 4.185 -9.419 633 HG21 VAL 85 3HG2 VAL 85 22.930 3.008 -6.087 634 HG22 VAL 85 1HG2 VAL 85 24.518 2.258 -6.268 635 HG23 VAL 85 2HG2 VAL 85 23.056 1.295 -6.490 636 H ARG 86 H ARG 86 22.309 4.635 -10.217 637 HA ARG 86 HA ARG 86 21.573 3.307 -12.692 638 HB2 ARG 86 2HB ARG 86 21.545 5.467 -13.683 639 HB3 ARG 86 1HB ARG 86 20.875 5.661 -12.069 640 HG2 ARG 86 2HG ARG 86 22.982 6.572 -11.270 641 HG3 ARG 86 1HG ARG 86 23.716 6.307 -12.852 642 HD2 ARG 86 2HD ARG 86 21.779 7.812 -13.724 643 HD3 ARG 86 1HD ARG 86 21.645 8.320 -12.037 644 HE ARG 86 HE ARG 86 24.322 8.459 -13.061 645 HH11 ARG 86 1HH1 ARG 86 21.356 10.169 -12.694 646 HH12 ARG 86 2HH1 ARG 86 22.068 11.700 -13.059 647 HH21 ARG 86 1HH2 ARG 86 25.239 10.405 -13.481 648 HH22 ARG 86 2HH2 ARG 86 24.269 11.838 -13.497 649 H GLU 87 H GLU 87 24.527 4.316 -11.132 650 HA GLU 87 HA GLU 87 26.140 3.089 -13.212 651 HB2 GLU 87 2HB GLU 87 27.571 5.065 -13.531 652 HB3 GLU 87 1HB GLU 87 25.915 5.391 -14.026 653 HG2 GLU 87 2HG GLU 87 25.499 6.588 -11.953 654 HG3 GLU 87 1HG GLU 87 27.125 6.212 -11.386 655 H GLU 88 H GLU 88 28.189 2.431 -12.485 656 HA GLU 88 HA GLU 88 28.576 2.499 -9.589 657 HB2 GLU 88 2HB GLU 88 29.866 0.902 -11.802 658 HB3 GLU 88 1HB GLU 88 30.531 0.924 -10.175 659 HG2 GLU 88 2HG GLU 88 29.167 -1.034 -10.475 660 HG3 GLU 88 1HG GLU 88 28.411 0.043 -9.303 661 H VAL 89 H VAL 89 29.671 4.167 -8.756 662 HA VAL 89 HA VAL 89 31.766 5.498 -10.302 663 HB VAL 89 HB VAL 89 30.667 6.169 -7.557 664 HG11 VAL 89 1HG1 VAL 89 31.776 8.343 -7.875 665 HG12 VAL 89 2HG1 VAL 89 32.478 7.758 -9.384 666 HG13 VAL 89 3HG1 VAL 89 32.934 7.013 -7.852 667 HG21 VAL 89 3HG2 VAL 89 29.472 7.989 -8.706 668 HG22 VAL 89 1HG2 VAL 89 28.964 6.404 -9.290 669 HG23 VAL 89 2HG2 VAL 89 30.060 7.391 -10.257 670 H LYS 90 H LYS 90 33.864 5.009 -10.089 671 HA LYS 90 HA LYS 90 34.671 3.120 -8.003 672 HB2 LYS 90 2HB LYS 90 36.708 2.818 -9.375 673 HB3 LYS 90 1HB LYS 90 35.230 2.516 -10.280 674 HG2 LYS 90 2HG LYS 90 35.414 4.823 -11.218 675 HG3 LYS 90 1HG LYS 90 36.985 4.964 -10.427 676 HD2 LYS 90 2HD LYS 90 37.801 3.031 -11.707 677 HD3 LYS 90 1HD LYS 90 36.228 2.886 -12.492 678 HE2 LYS 90 2HE LYS 90 37.694 4.022 -14.001 679 HE3 LYS 90 1HE LYS 90 36.542 5.204 -13.382 680 HZ1 LYS 90 3HZ LYS 90 38.269 5.909 -11.779 681 HZ2 LYS 90 1HZ LYS 90 38.729 6.147 -13.392 682 HZ3 LYS 90 2HZ LYS 90 39.358 4.846 -12.517 683 H ASN 91 H ASN 91 34.493 6.325 -8.020 684 HA ASN 91 HA ASN 91 37.072 6.736 -6.645 685 HB2 ASN 91 2HB ASN 91 35.208 8.751 -7.924 686 HB3 ASN 91 1HB ASN 91 36.640 9.176 -6.992 687 HD21 ASN 91 1HD2 ASN 91 38.677 8.714 -7.836 688 HD22 ASN 91 2HD2 ASN 91 38.911 8.405 -9.520 689 H ASP 92 H ASP 92 36.684 6.181 -4.565 690 HA ASP 92 HA ASP 92 34.300 6.948 -3.150 691 HB2 ASP 92 2HB ASP 92 35.404 4.854 -2.573 692 HB3 ASP 92 1HB ASP 92 36.902 5.704 -2.213 693 H LYS 93 H LYS 93 34.309 8.275 -1.233 694 HA LYS 93 HA LYS 93 36.366 10.384 -1.185 695 HB2 LYS 93 2HB LYS 93 34.633 12.098 -1.008 696 HB3 LYS 93 1HB LYS 93 34.431 11.179 -2.493 697 HG2 LYS 93 2HG LYS 93 32.656 9.842 -1.370 698 HG3 LYS 93 1HG LYS 93 32.816 10.891 0.040 699 HD2 LYS 93 2HD LYS 93 30.939 11.625 -1.305 700 HD3 LYS 93 1HD LYS 93 32.221 12.836 -1.384 701 HE2 LYS 93 2HE LYS 93 32.929 11.933 -3.559 702 HE3 LYS 93 1HE LYS 93 31.646 10.728 -3.471 703 HZ1 LYS 93 3HZ LYS 93 31.249 13.665 -3.555 704 HZ2 LYS 93 1HZ LYS 93 30.022 12.508 -3.480 705 HZ3 LYS 93 2HZ LYS 93 31.008 12.599 -4.846 706 HA PRO 94 HA PRO 94 36.420 10.000 3.266 707 HB2 PRO 94 2HB PRO 94 36.070 12.974 3.304 708 HB3 PRO 94 1HB PRO 94 37.263 11.970 4.138 709 HG2 PRO 94 2HG PRO 94 37.959 13.354 1.978 710 HG3 PRO 94 1HG PRO 94 38.573 11.708 2.228 711 HD2 PRO 94 2HD PRO 94 36.426 12.673 0.379 712 HD3 PRO 94 1HD PRO 94 37.638 11.396 0.135 713 H ILE 95 H ILE 95 34.491 8.998 3.768 714 HA ILE 95 HA ILE 95 31.997 10.507 3.787 715 HB ILE 95 HB ILE 95 30.951 8.342 4.430 716 HG12 ILE 95 2HG1 ILE 95 33.779 7.277 4.136 717 HG13 ILE 95 1HG1 ILE 95 32.838 7.333 5.622 718 HG21 ILE 95 1HG2 ILE 95 31.269 7.260 2.254 719 HG22 ILE 95 2HG2 ILE 95 32.705 8.243 1.972 720 HG23 ILE 95 3HG2 ILE 95 31.121 9.010 2.087 721 HD11 ILE 95 3HD1 ILE 95 32.863 5.096 4.719 722 HD12 ILE 95 1HD1 ILE 95 32.223 5.681 3.183 723 HD13 ILE 95 2HD1 ILE 95 31.230 5.759 4.640 724 H LEU 96 H LEU 96 30.535 10.389 5.665 725 HA LEU 96 HA LEU 96 31.969 11.192 8.051 726 HB2 LEU 96 2HB LEU 96 30.124 12.552 7.297 727 HB3 LEU 96 1HB LEU 96 29.033 11.181 7.347 728 HG LEU 96 HG LEU 96 29.210 11.110 9.801 729 HD11 LEU 96 1HD1 LEU 96 30.955 13.559 9.494 730 HD12 LEU 96 2HD1 LEU 96 31.472 11.972 10.068 731 HD13 LEU 96 3HD1 LEU 96 30.330 12.922 11.017 732 HD21 LEU 96 3HD2 LEU 96 27.977 13.170 10.270 733 HD22 LEU 96 1HD2 LEU 96 27.442 12.438 8.757 734 HD23 LEU 96 2HD2 LEU 96 28.504 13.847 8.729 735 H GLU 97 H GLU 97 32.372 9.935 9.762 736 HA GLU 97 HA GLU 97 30.513 7.775 10.466 737 HB2 GLU 97 2HB GLU 97 32.254 6.717 9.095 738 HB3 GLU 97 1HB GLU 97 33.497 7.360 10.161 739 HG2 GLU 97 2HG GLU 97 32.651 6.023 12.003 740 HG3 GLU 97 1HG GLU 97 31.334 5.430 10.991 Start of MODEL 19 1 H1 MET 1 1H MET 1 -40.816 -8.471 7.922 2 H2 MET 1 2H MET 1 -42.459 -8.388 7.546 3 H3 MET 1 3H MET 1 -41.311 -7.824 6.441 4 HA MET 1 HA MET 1 -41.589 -10.634 7.328 5 HB2 MET 1 2HB MET 1 -42.476 -11.064 5.059 6 HB3 MET 1 1HB MET 1 -43.508 -9.986 5.985 7 HG2 MET 1 2HG MET 1 -42.562 -8.064 4.783 8 HG3 MET 1 1HG MET 1 -41.567 -9.165 3.832 9 HE1 MET 1 3HE MET 1 -44.309 -7.907 1.283 10 HE2 MET 1 1HE MET 1 -42.577 -8.039 1.599 11 HE3 MET 1 2HE MET 1 -43.578 -6.978 2.592 12 H GLY 2 H GLY 2 -40.438 -12.115 5.733 13 HA2 GLY 2 2HA GLY 2 -38.512 -12.728 4.592 14 HA3 GLY 2 1HA GLY 2 -38.133 -11.025 4.373 15 H ASN 3 H ASN 3 -36.218 -13.015 5.038 16 HA ASN 3 HA ASN 3 -35.296 -11.931 7.611 17 HB2 ASN 3 2HB ASN 3 -34.511 -14.162 8.330 18 HB3 ASN 3 1HB ASN 3 -36.262 -14.105 8.144 19 HD21 ASN 3 1HD2 ASN 3 -37.215 -15.203 6.407 20 HD22 ASN 3 2HD2 ASN 3 -36.376 -16.462 5.569 21 H GLY 4 H GLY 4 -33.186 -11.350 7.647 22 HA2 GLY 4 2HA GLY 4 -31.133 -12.516 6.089 23 HA3 GLY 4 1HA GLY 4 -31.752 -11.108 5.242 24 H GLU 5 H GLU 5 -30.827 -11.932 8.598 25 HA GLU 5 HA GLU 5 -29.624 -9.310 8.970 26 HB2 GLU 5 2HB GLU 5 -29.761 -11.708 10.820 27 HB3 GLU 5 1HB GLU 5 -29.168 -10.112 11.269 28 HG2 GLU 5 2HG GLU 5 -31.341 -9.144 10.938 29 HG3 GLU 5 1HG GLU 5 -31.964 -10.658 10.287 30 H THR 6 H THR 6 -27.864 -9.206 7.626 31 HA THR 6 HA THR 6 -26.059 -11.440 7.300 32 HB THR 6 HB THR 6 -24.881 -10.031 5.681 33 HG1 THR 6 HG1 THR 6 -24.971 -7.940 5.953 34 HG21 THR 6 3HG2 THR 6 -26.722 -9.670 4.087 35 HG22 THR 6 1HG2 THR 6 -27.889 -9.851 5.396 36 HG23 THR 6 2HG2 THR 6 -26.881 -11.218 4.916 37 H SER 7 H SER 7 -23.751 -11.281 7.490 38 HA SER 7 HA SER 7 -22.796 -9.553 9.675 39 HB2 SER 7 2HB SER 7 -22.340 -11.969 9.900 40 HB3 SER 7 1HB SER 7 -21.499 -11.960 8.350 41 HG SER 7 HG SER 7 -20.723 -10.844 10.821 42 H ASP 8 H ASP 8 -21.042 -8.122 9.355 43 HA ASP 8 HA ASP 8 -20.906 -7.072 6.697 44 HB2 ASP 8 2HB ASP 8 -20.881 -5.496 8.495 45 HB3 ASP 8 1HB ASP 8 -19.471 -6.260 9.228 46 H LEU 9 H LEU 9 -19.147 -6.798 5.374 47 HA LEU 9 HA LEU 9 -17.040 -8.826 5.638 48 HB2 LEU 9 2HB LEU 9 -17.869 -7.210 3.218 49 HB3 LEU 9 1HB LEU 9 -16.695 -8.514 3.238 50 HG LEU 9 HG LEU 9 -19.666 -8.776 3.743 51 HD11 LEU 9 1HD1 LEU 9 -19.674 -10.067 1.675 52 HD12 LEU 9 2HD1 LEU 9 -17.951 -9.753 1.461 53 HD13 LEU 9 3HD1 LEU 9 -19.105 -8.420 1.401 54 HD21 LEU 9 3HD2 LEU 9 -17.508 -10.895 3.769 55 HD22 LEU 9 1HD2 LEU 9 -19.246 -11.202 3.821 56 HD23 LEU 9 2HD2 LEU 9 -18.462 -10.347 5.148 57 H GLU 10 H GLU 10 -14.921 -8.290 5.758 58 HA GLU 10 HA GLU 10 -14.135 -5.630 6.438 59 HB2 GLU 10 2HB GLU 10 -12.344 -7.973 5.708 60 HB3 GLU 10 1HB GLU 10 -11.858 -6.511 6.553 61 HG2 GLU 10 2HG GLU 10 -12.010 -8.285 8.133 62 HG3 GLU 10 1HG GLU 10 -13.330 -7.161 8.435 63 HA PRO 11 HA PRO 11 -13.199 -3.981 2.421 64 HB2 PRO 11 2HB PRO 11 -11.029 -2.402 2.989 65 HB3 PRO 11 1HB PRO 11 -12.692 -1.964 3.391 66 HG2 PRO 11 2HG PRO 11 -10.582 -3.177 5.142 67 HG3 PRO 11 1HG PRO 11 -11.719 -1.864 5.509 68 HD2 PRO 11 2HD PRO 11 -12.143 -4.384 6.361 69 HD3 PRO 11 1HD PRO 11 -13.484 -3.326 5.878 70 H LYS 12 H LYS 12 -12.130 -4.818 0.688 71 HA LYS 12 HA LYS 12 -9.911 -6.622 1.127 72 HB2 LYS 12 2HB LYS 12 -11.647 -7.217 -0.501 73 HB3 LYS 12 1HB LYS 12 -11.280 -5.781 -1.442 74 HG2 LYS 12 2HG LYS 12 -10.299 -7.730 -2.482 75 HG3 LYS 12 1HG LYS 12 -9.026 -6.660 -1.889 76 HD2 LYS 12 2HD LYS 12 -8.796 -8.099 0.118 77 HD3 LYS 12 1HD LYS 12 -10.017 -9.187 -0.547 78 HE2 LYS 12 2HE LYS 12 -8.568 -9.579 -2.507 79 HE3 LYS 12 1HE LYS 12 -7.342 -8.531 -1.793 80 HZ1 LYS 12 3HZ LYS 12 -6.850 -10.851 -1.378 81 HZ2 LYS 12 1HZ LYS 12 -8.348 -11.072 -0.629 82 HZ3 LYS 12 2HZ LYS 12 -7.193 -10.070 0.082 83 H LEU 13 H LEU 13 -7.987 -5.761 1.469 84 HA LEU 13 HA LEU 13 -7.188 -3.259 0.206 85 HB2 LEU 13 2HB LEU 13 -6.762 -3.616 2.596 86 HB3 LEU 13 1HB LEU 13 -5.786 -5.024 2.227 87 HG LEU 13 HG LEU 13 -4.153 -3.571 1.058 88 HD11 LEU 13 1HD1 LEU 13 -4.282 -1.144 1.316 89 HD12 LEU 13 2HD1 LEU 13 -5.863 -1.303 2.082 90 HD13 LEU 13 3HD1 LEU 13 -5.650 -1.765 0.393 91 HD21 LEU 13 3HD2 LEU 13 -4.750 -2.745 3.901 92 HD22 LEU 13 1HD2 LEU 13 -3.213 -2.530 3.062 93 HD23 LEU 13 2HD2 LEU 13 -3.810 -4.154 3.405 94 H THR 14 H THR 14 -6.520 -3.491 -1.854 95 HA THR 14 HA THR 14 -4.996 -5.805 -2.727 96 HB THR 14 HB THR 14 -5.826 -3.325 -4.269 97 HG1 THR 14 HG1 THR 14 -7.017 -5.655 -5.001 98 HG21 THR 14 3HG2 THR 14 -5.317 -4.656 -6.279 99 HG22 THR 14 1HG2 THR 14 -4.708 -5.959 -5.260 100 HG23 THR 14 2HG2 THR 14 -3.878 -4.401 -5.291 101 H VAL 15 H VAL 15 -2.902 -5.856 -2.241 102 HA VAL 15 HA VAL 15 -1.269 -3.431 -2.673 103 HB VAL 15 HB VAL 15 -0.934 -5.479 -0.463 104 HG11 VAL 15 1HG1 VAL 15 0.798 -3.096 -1.143 105 HG12 VAL 15 2HG1 VAL 15 1.249 -4.793 -1.307 106 HG13 VAL 15 3HG1 VAL 15 0.963 -4.109 0.293 107 HG21 VAL 15 3HG2 VAL 15 -2.703 -3.861 -0.017 108 HG22 VAL 15 1HG2 VAL 15 -1.594 -2.531 -0.353 109 HG23 VAL 15 2HG2 VAL 15 -1.322 -3.576 1.042 110 HA PRO 16 HA PRO 16 0.908 -6.157 -5.494 111 HB2 PRO 16 2HB PRO 16 3.078 -4.519 -5.897 112 HB3 PRO 16 1HB PRO 16 1.528 -4.318 -6.719 113 HG2 PRO 16 2HG PRO 16 2.610 -2.876 -4.333 114 HG3 PRO 16 1HG PRO 16 1.701 -2.233 -5.711 115 HD2 PRO 16 2HD PRO 16 0.553 -2.708 -3.311 116 HD3 PRO 16 1HD PRO 16 -0.330 -2.898 -4.835 117 H VAL 17 H VAL 17 2.834 -7.464 -5.479 118 HA VAL 17 HA VAL 17 3.726 -8.023 -2.780 119 HB VAL 17 HB VAL 17 3.123 -9.876 -4.263 120 HG11 VAL 17 1HG1 VAL 17 5.529 -9.082 -5.910 121 HG12 VAL 17 2HG1 VAL 17 3.843 -8.918 -6.398 122 HG13 VAL 17 3HG1 VAL 17 4.537 -10.521 -6.151 123 HG21 VAL 17 3HG2 VAL 17 5.088 -11.305 -3.853 124 HG22 VAL 17 1HG2 VAL 17 4.685 -10.315 -2.451 125 HG23 VAL 17 2HG2 VAL 17 6.044 -9.871 -3.484 126 H GLY 18 H GLY 18 5.118 -6.679 -5.714 127 HA2 GLY 18 2HA GLY 18 7.366 -5.632 -4.243 128 HA3 GLY 18 1HA GLY 18 7.809 -6.916 -5.356 129 H ALA 19 H ALA 19 8.869 -4.375 -5.587 130 HA ALA 19 HA ALA 19 8.071 -3.705 -8.296 131 HB1 ALA 19 3HB ALA 19 7.886 -1.600 -6.138 132 HB2 ALA 19 1HB ALA 19 6.520 -2.337 -6.980 133 HB3 ALA 19 2HB ALA 19 7.671 -1.337 -7.868 134 H THR 20 H THR 20 9.948 -3.572 -9.372 135 HA THR 20 HA THR 20 12.394 -2.705 -7.987 136 HB THR 20 HB THR 20 12.079 -3.950 -10.736 137 HG1 THR 20 HG1 THR 20 11.595 -5.442 -9.096 138 HG21 THR 20 3HG2 THR 20 14.510 -4.299 -10.632 139 HG22 THR 20 1HG2 THR 20 14.570 -3.430 -9.099 140 HG23 THR 20 2HG2 THR 20 14.108 -2.582 -10.575 141 H ILE 21 H ILE 21 13.248 -0.730 -8.290 142 HA ILE 21 HA ILE 21 12.729 0.739 -10.785 143 HB ILE 21 HB ILE 21 12.384 2.844 -9.467 144 HG12 ILE 21 2HG1 ILE 21 12.058 0.919 -7.148 145 HG13 ILE 21 1HG1 ILE 21 13.334 2.119 -7.328 146 HG21 ILE 21 1HG2 ILE 21 10.302 0.698 -9.020 147 HG22 ILE 21 2HG2 ILE 21 10.506 1.643 -10.495 148 HG23 ILE 21 3HG2 ILE 21 10.025 2.441 -8.998 149 HD11 ILE 21 3HD1 ILE 21 10.396 2.699 -6.997 150 HD12 ILE 21 1HD1 ILE 21 11.671 3.905 -7.189 151 HD13 ILE 21 2HD1 ILE 21 11.644 2.869 -5.763 152 H HIS 22 H HIS 22 14.117 2.908 -10.682 153 HA HIS 22 HA HIS 22 16.820 2.144 -9.749 154 HB2 HIS 22 2HB HIS 22 15.990 3.719 -12.193 155 HB3 HIS 22 1HB HIS 22 17.652 3.630 -11.620 156 HD1 HIS 22 HD1 HIS 22 15.076 1.731 -13.477 157 HD2 HIS 22 HD2 HIS 22 18.884 1.097 -11.945 158 HE1 HIS 22 HE1 HIS 22 15.891 -0.380 -14.548 159 HE2 HIS 22 HE2 HIS 22 18.285 -0.564 -13.832 160 H VAL 23 H VAL 23 18.327 4.161 -9.660 161 HA VAL 23 HA VAL 23 17.373 6.005 -7.734 162 HB VAL 23 HB VAL 23 19.846 6.161 -9.484 163 HG11 VAL 23 1HG1 VAL 23 19.155 7.726 -6.989 164 HG12 VAL 23 2HG1 VAL 23 19.257 8.376 -8.624 165 HG13 VAL 23 3HG1 VAL 23 20.705 7.761 -7.828 166 HG21 VAL 23 3HG2 VAL 23 19.782 4.183 -8.041 167 HG22 VAL 23 1HG2 VAL 23 19.492 5.208 -6.636 168 HG23 VAL 23 2HG2 VAL 23 21.022 5.318 -7.507 169 H GLY 24 H GLY 24 16.205 7.802 -7.987 170 HA2 GLY 24 2HA GLY 24 15.420 9.775 -8.966 171 HA3 GLY 24 1HA GLY 24 16.350 9.409 -10.411 172 H ASP 25 H ASP 25 14.368 6.871 -9.217 173 HA ASP 25 HA ASP 25 12.685 6.984 -11.567 174 HB2 ASP 25 2HB ASP 25 13.718 4.932 -10.114 175 HB3 ASP 25 1HB ASP 25 12.102 5.009 -9.426 176 H SER 26 H SER 26 10.242 6.142 -10.903 177 HA SER 26 HA SER 26 9.172 8.100 -8.960 178 HB2 SER 26 2HB SER 26 7.965 7.285 -11.620 179 HB3 SER 26 1HB SER 26 7.159 8.299 -10.421 180 HG SER 26 HG SER 26 8.666 9.143 -12.322 181 H PHE 27 H PHE 27 7.543 7.428 -7.601 182 HA PHE 27 HA PHE 27 6.289 4.831 -7.913 183 HB2 PHE 27 2HB PHE 27 8.468 4.272 -6.878 184 HB3 PHE 27 1HB PHE 27 8.125 5.385 -5.561 185 HD1 PHE 27 HD2 PHE 27 7.039 2.228 -7.157 186 HD2 PHE 27 HD1 PHE 27 6.827 4.720 -3.709 187 HE1 PHE 27 HE2 PHE 27 5.942 0.411 -5.912 188 HE2 PHE 27 HE1 PHE 27 5.737 2.906 -2.459 189 HZ PHE 27 HZ PHE 27 5.294 0.753 -3.558 190 H VAL 28 H VAL 28 4.224 4.970 -7.162 191 HA VAL 28 HA VAL 28 3.610 7.057 -5.152 192 HB VAL 28 HB VAL 28 1.833 6.370 -7.505 193 HG11 VAL 28 1HG1 VAL 28 1.615 8.524 -5.395 194 HG12 VAL 28 2HG1 VAL 28 0.574 7.111 -5.565 195 HG13 VAL 28 3HG1 VAL 28 0.561 8.366 -6.803 196 HG21 VAL 28 3HG2 VAL 28 3.548 8.825 -7.082 197 HG22 VAL 28 1HG2 VAL 28 2.443 8.545 -8.429 198 HG23 VAL 28 2HG2 VAL 28 3.872 7.532 -8.236 199 HA PRO 29 HA PRO 29 2.169 3.085 -3.351 200 HB2 PRO 29 2HB PRO 29 1.967 4.112 -0.794 201 HB3 PRO 29 1HB PRO 29 3.438 3.416 -1.482 202 HG2 PRO 29 2HG PRO 29 2.631 6.291 -1.246 203 HG3 PRO 29 1HG PRO 29 4.215 5.547 -0.960 204 HD2 PRO 29 2HD PRO 29 3.682 6.880 -3.231 205 HD3 PRO 29 1HD PRO 29 4.708 5.428 -3.232 206 H MET 30 H MET 30 0.728 6.314 -2.810 207 HA MET 30 HA MET 30 -1.753 5.215 -1.831 208 HB2 MET 30 2HB MET 30 -0.942 8.026 -2.580 209 HB3 MET 30 1HB MET 30 -2.531 7.615 -1.948 210 HG2 MET 30 2HG MET 30 -0.115 6.811 -0.393 211 HG3 MET 30 1HG MET 30 -0.621 8.496 -0.379 212 HE1 MET 30 3HE MET 30 -2.905 5.152 -0.430 213 HE2 MET 30 1HE MET 30 -3.122 4.980 1.310 214 HE3 MET 30 2HE MET 30 -1.516 4.814 0.603 215 H ALA 31 H ALA 31 -0.574 5.215 -4.872 216 HA ALA 31 HA ALA 31 -3.286 5.366 -6.049 217 HB1 ALA 31 3HB ALA 31 -2.273 5.912 -8.184 218 HB2 ALA 31 1HB ALA 31 -0.659 5.762 -7.486 219 HB3 ALA 31 2HB ALA 31 -1.730 7.058 -6.957 220 H GLU 32 H GLU 32 -0.210 3.608 -6.049 221 HA GLU 32 HA GLU 32 -1.105 1.494 -7.737 222 HB2 GLU 32 2HB GLU 32 1.253 1.716 -5.861 223 HB3 GLU 32 1HB GLU 32 0.986 0.345 -6.934 224 HG2 GLU 32 2HG GLU 32 1.153 1.760 -8.876 225 HG3 GLU 32 1HG GLU 32 1.242 3.203 -7.870 226 H VAL 33 H VAL 33 -1.330 2.066 -4.304 227 HA VAL 33 HA VAL 33 -2.378 -0.641 -3.840 228 HB VAL 33 HB VAL 33 -1.893 1.615 -1.871 229 HG11 VAL 33 1HG1 VAL 33 -3.672 0.113 -1.109 230 HG12 VAL 33 2HG1 VAL 33 -2.218 -0.089 -0.132 231 HG13 VAL 33 3HG1 VAL 33 -2.621 -1.280 -1.370 232 HG21 VAL 33 3HG2 VAL 33 0.183 0.751 -2.823 233 HG22 VAL 33 1HG2 VAL 33 -0.299 -0.897 -2.414 234 HG23 VAL 33 2HG2 VAL 33 0.026 0.271 -1.133 235 H LEU 34 H LEU 34 -4.516 -1.016 -3.124 236 HA LEU 34 HA LEU 34 -6.431 1.206 -3.307 237 HB2 LEU 34 2HB LEU 34 -6.085 0.282 -5.587 238 HB3 LEU 34 1HB LEU 34 -6.591 -1.290 -5.016 239 HG LEU 34 HG LEU 34 -8.486 1.026 -4.757 240 HD11 LEU 34 1HD1 LEU 34 -9.353 0.594 -6.998 241 HD12 LEU 34 2HD1 LEU 34 -8.053 -0.562 -7.291 242 HD13 LEU 34 3HD1 LEU 34 -7.680 1.147 -7.067 243 HD21 LEU 34 3HD2 LEU 34 -9.108 -1.101 -3.743 244 HD22 LEU 34 1HD2 LEU 34 -8.856 -1.929 -5.281 245 HD23 LEU 34 2HD2 LEU 34 -10.153 -0.745 -5.116 246 H ALA 35 H ALA 35 -8.473 0.781 -2.295 247 HA ALA 35 HA ALA 35 -8.811 -1.817 -0.961 248 HB1 ALA 35 3HB ALA 35 -8.806 0.791 0.564 249 HB2 ALA 35 1HB ALA 35 -7.561 -0.455 0.642 250 HB3 ALA 35 2HB ALA 35 -9.189 -0.799 1.228 251 H ILE 36 H ILE 36 -10.905 -2.470 -0.860 252 HA ILE 36 HA ILE 36 -13.064 -0.488 -1.270 253 HB ILE 36 HB ILE 36 -12.868 -3.157 -2.699 254 HG12 ILE 36 2HG1 ILE 36 -11.374 -1.436 -3.667 255 HG13 ILE 36 1HG1 ILE 36 -12.670 -1.885 -4.767 256 HG21 ILE 36 1HG2 ILE 36 -15.167 -2.649 -2.129 257 HG22 ILE 36 2HG2 ILE 36 -14.925 -2.452 -3.864 258 HG23 ILE 36 3HG2 ILE 36 -15.012 -1.033 -2.820 259 HD11 ILE 36 3HD1 ILE 36 -13.875 0.163 -4.147 260 HD12 ILE 36 1HD1 ILE 36 -12.281 0.496 -4.824 261 HD13 ILE 36 2HD1 ILE 36 -12.538 0.604 -3.085 262 H ASP 37 H ASP 37 -14.750 -0.726 0.129 263 HA ASP 37 HA ASP 37 -15.159 -3.358 1.431 264 HB2 ASP 37 2HB ASP 37 -14.773 -1.228 2.860 265 HB3 ASP 37 1HB ASP 37 -16.401 -0.773 2.378 266 H LYS 38 H LYS 38 -17.330 -4.199 1.521 267 HA LYS 38 HA LYS 38 -18.786 -3.765 -0.891 268 HB2 LYS 38 2HB LYS 38 -18.666 -5.971 0.221 269 HB3 LYS 38 1HB LYS 38 -19.617 -5.339 1.561 270 HG2 LYS 38 2HG LYS 38 -21.476 -4.898 -0.001 271 HG3 LYS 38 1HG LYS 38 -20.527 -5.611 -1.305 272 HD2 LYS 38 2HD LYS 38 -20.463 -7.740 -0.045 273 HD3 LYS 38 1HD LYS 38 -21.481 -7.013 1.200 274 HE2 LYS 38 2HE LYS 38 -22.235 -7.375 -1.706 275 HE3 LYS 38 1HE LYS 38 -22.789 -8.381 -0.369 276 HZ1 LYS 38 3HZ LYS 38 -23.317 -5.464 -0.596 277 HZ2 LYS 38 1HZ LYS 38 -23.944 -6.520 0.566 278 HZ3 LYS 38 2HZ LYS 38 -24.404 -6.673 -1.050 279 H GLU 39 H GLU 39 -19.117 -2.517 2.360 280 HA GLU 39 HA GLU 39 -21.883 -1.722 2.015 281 HB2 GLU 39 2HB GLU 39 -21.731 -0.837 4.252 282 HB3 GLU 39 1HB GLU 39 -20.942 -2.407 4.213 283 HG2 GLU 39 2HG GLU 39 -18.754 -1.194 3.963 284 HG3 GLU 39 1HG GLU 39 -19.632 0.300 4.276 285 H ASP 40 H ASP 40 -18.754 -0.027 2.151 286 HA ASP 40 HA ASP 40 -20.089 2.532 1.662 287 HB2 ASP 40 2HB ASP 40 -18.387 2.299 3.484 288 HB3 ASP 40 1HB ASP 40 -17.166 1.991 2.253 289 H GLY 41 H GLY 41 -17.496 0.533 0.272 290 HA2 GLY 41 2HA GLY 41 -17.383 0.388 -2.189 291 HA3 GLY 41 1HA GLY 41 -17.684 2.119 -2.225 292 H ASP 42 H ASP 42 -15.913 3.308 -2.611 293 HA ASP 42 HA ASP 42 -13.309 2.124 -2.543 294 HB2 ASP 42 2HB ASP 42 -14.089 3.800 -4.250 295 HB3 ASP 42 1HB ASP 42 -13.994 5.036 -2.997 296 H LEU 43 H LEU 43 -12.150 1.872 -0.757 297 HA LEU 43 HA LEU 43 -12.121 4.027 1.267 298 HB2 LEU 43 2HB LEU 43 -11.467 1.088 1.577 299 HB3 LEU 43 1HB LEU 43 -11.246 2.290 2.834 300 HG LEU 43 HG LEU 43 -13.870 1.340 1.665 301 HD11 LEU 43 1HD1 LEU 43 -12.848 -0.167 3.295 302 HD12 LEU 43 2HD1 LEU 43 -14.307 0.576 3.944 303 HD13 LEU 43 3HD1 LEU 43 -12.720 1.153 4.456 304 HD21 LEU 43 3HD2 LEU 43 -13.388 3.524 3.698 305 HD22 LEU 43 1HD2 LEU 43 -14.962 2.857 3.257 306 HD23 LEU 43 2HD2 LEU 43 -14.012 3.740 2.063 307 H THR 44 H THR 44 -10.538 3.751 -1.277 308 HA THR 44 HA THR 44 -7.902 2.904 -0.771 309 HB THR 44 HB THR 44 -8.770 5.037 -2.747 310 HG1 THR 44 HG1 THR 44 -9.865 3.321 -3.451 311 HG21 THR 44 3HG2 THR 44 -6.331 3.239 -2.710 312 HG22 THR 44 1HG2 THR 44 -6.343 4.982 -2.444 313 HG23 THR 44 2HG2 THR 44 -6.780 4.329 -4.021 314 H SER 45 H SER 45 -9.424 6.073 -0.318 315 HA SER 45 HA SER 45 -7.000 7.414 0.448 316 HB2 SER 45 2HB SER 45 -9.906 8.167 0.871 317 HB3 SER 45 1HB SER 45 -8.544 9.219 1.248 318 HG SER 45 HG SER 45 -8.318 8.290 -1.276 319 H LYS 46 H LYS 46 -8.924 5.157 2.045 320 HA LYS 46 HA LYS 46 -8.492 6.213 4.739 321 HB2 LYS 46 2HB LYS 46 -9.807 3.620 3.882 322 HB3 LYS 46 1HB LYS 46 -9.860 4.338 5.485 323 HG2 LYS 46 2HG LYS 46 -11.064 5.551 2.997 324 HG3 LYS 46 1HG LYS 46 -11.947 4.644 4.224 325 HD2 LYS 46 2HD LYS 46 -11.204 6.339 5.907 326 HD3 LYS 46 1HD LYS 46 -10.517 7.279 4.580 327 HE2 LYS 46 2HE LYS 46 -13.424 6.507 4.877 328 HE3 LYS 46 1HE LYS 46 -12.743 8.095 5.220 329 HZ1 LYS 46 3HZ LYS 46 -12.898 6.753 2.576 330 HZ2 LYS 46 1HZ LYS 46 -12.056 8.196 2.858 331 HZ3 LYS 46 2HZ LYS 46 -13.729 8.137 3.073 332 H ILE 47 H ILE 47 -6.491 4.784 2.689 333 HA ILE 47 HA ILE 47 -5.504 2.601 4.329 334 HB ILE 47 HB ILE 47 -4.409 3.716 1.738 335 HG12 ILE 47 2HG1 ILE 47 -6.131 1.262 2.217 336 HG13 ILE 47 1HG1 ILE 47 -6.706 2.784 1.542 337 HG21 ILE 47 1HG2 ILE 47 -3.181 1.581 1.587 338 HG22 ILE 47 2HG2 ILE 47 -3.764 1.145 3.196 339 HG23 ILE 47 3HG2 ILE 47 -2.692 2.532 2.990 340 HD11 ILE 47 3HD1 ILE 47 -5.183 2.493 -0.363 341 HD12 ILE 47 1HD1 ILE 47 -6.339 1.170 -0.211 342 HD13 ILE 47 2HD1 ILE 47 -4.669 0.943 0.307 343 H LYS 48 H LYS 48 -4.196 2.976 5.988 344 HA LYS 48 HA LYS 48 -2.379 5.230 6.108 345 HB2 LYS 48 2HB LYS 48 -3.518 4.463 8.142 346 HB3 LYS 48 1HB LYS 48 -2.783 2.876 7.974 347 HG2 LYS 48 2HG LYS 48 -0.555 3.915 8.264 348 HG3 LYS 48 1HG LYS 48 -1.347 5.468 8.536 349 HD2 LYS 48 2HD LYS 48 -2.505 4.537 10.488 350 HD3 LYS 48 1HD LYS 48 -1.735 2.975 10.204 351 HE2 LYS 48 2HE LYS 48 0.471 4.044 10.525 352 HE3 LYS 48 1HE LYS 48 -0.341 5.567 10.886 353 HZ1 LYS 48 3HZ LYS 48 -1.397 4.513 12.782 354 HZ2 LYS 48 1HZ LYS 48 0.285 4.396 12.900 355 HZ3 LYS 48 2HZ LYS 48 -0.627 3.051 12.433 356 H VAL 49 H VAL 49 -0.192 5.175 5.748 357 HA VAL 49 HA VAL 49 0.913 2.655 4.676 358 HB VAL 49 HB VAL 49 1.834 5.495 4.161 359 HG11 VAL 49 1HG1 VAL 49 2.686 2.908 2.851 360 HG12 VAL 49 2HG1 VAL 49 3.656 3.879 3.959 361 HG13 VAL 49 3HG1 VAL 49 3.209 4.527 2.381 362 HG21 VAL 49 3HG2 VAL 49 0.884 5.193 1.908 363 HG22 VAL 49 1HG2 VAL 49 -0.350 5.111 3.164 364 HG23 VAL 49 2HG2 VAL 49 0.232 3.631 2.403 365 H ASP 50 H ASP 50 2.863 1.855 5.386 366 HA ASP 50 HA ASP 50 4.358 3.380 7.417 367 HB2 ASP 50 2HB ASP 50 3.158 1.635 8.600 368 HB3 ASP 50 1HB ASP 50 3.712 0.419 7.452 369 H GLY 51 H GLY 51 6.610 3.173 7.353 370 HA2 GLY 51 2HA GLY 51 8.681 2.498 6.446 371 HA3 GLY 51 1HA GLY 51 7.826 1.626 5.181 372 H GLU 52 H GLU 52 9.900 3.032 4.294 373 HA GLU 52 HA GLU 52 8.651 5.159 2.744 374 HB2 GLU 52 2HB GLU 52 9.482 6.308 4.755 375 HB3 GLU 52 1HB GLU 52 11.097 5.684 4.448 376 HG2 GLU 52 2HG GLU 52 11.148 6.940 2.322 377 HG3 GLU 52 1HG GLU 52 9.557 7.600 2.701 378 H VAL 53 H VAL 53 9.489 5.378 0.719 379 HA VAL 53 HA VAL 53 11.812 3.693 0.018 380 HB VAL 53 HB VAL 53 9.612 4.758 -1.774 381 HG11 VAL 53 1HG1 VAL 53 11.936 2.930 -2.400 382 HG12 VAL 53 2HG1 VAL 53 11.684 4.563 -3.015 383 HG13 VAL 53 3HG1 VAL 53 10.590 3.264 -3.491 384 HG21 VAL 53 3HG2 VAL 53 10.137 1.962 -0.752 385 HG22 VAL 53 1HG2 VAL 53 8.906 2.405 -1.938 386 HG23 VAL 53 2HG2 VAL 53 8.800 3.013 -0.284 387 H ASP 54 H ASP 54 13.659 4.803 -0.167 388 HA ASP 54 HA ASP 54 13.728 7.608 -0.859 389 HB2 ASP 54 2HB ASP 54 15.988 5.626 -0.475 390 HB3 ASP 54 1HB ASP 54 16.159 7.378 -0.577 391 H THR 55 H THR 55 14.337 8.506 -2.809 392 HA THR 55 HA THR 55 14.379 6.666 -5.105 393 HB THR 55 HB THR 55 13.899 8.652 -6.487 394 HG1 THR 55 HG1 THR 55 13.608 10.656 -5.519 395 HG21 THR 55 3HG2 THR 55 12.018 7.383 -5.563 396 HG22 THR 55 1HG2 THR 55 11.630 9.102 -5.651 397 HG23 THR 55 2HG2 THR 55 12.056 8.374 -4.103 398 H THR 56 H THR 56 16.358 9.109 -3.540 399 HA THR 56 HA THR 56 18.263 9.239 -5.734 400 HB THR 56 HB THR 56 19.554 10.758 -4.224 401 HG1 THR 56 HG1 THR 56 19.103 10.598 -2.163 402 HG21 THR 56 3HG2 THR 56 17.909 11.702 -5.756 403 HG22 THR 56 1HG2 THR 56 17.902 12.597 -4.236 404 HG23 THR 56 2HG2 THR 56 16.624 11.429 -4.579 405 H LYS 57 H LYS 57 17.768 6.949 -3.436 406 HA LYS 57 HA LYS 57 20.590 6.140 -3.468 407 HB2 LYS 57 2HB LYS 57 19.887 7.377 -1.293 408 HB3 LYS 57 1HB LYS 57 18.984 5.915 -0.926 409 HG2 LYS 57 2HG LYS 57 21.088 5.801 0.196 410 HG3 LYS 57 1HG LYS 57 21.110 4.624 -1.120 411 HD2 LYS 57 2HD LYS 57 22.444 6.106 -2.489 412 HD3 LYS 57 1HD LYS 57 22.299 7.400 -1.298 413 HE2 LYS 57 2HE LYS 57 24.478 6.371 -1.113 414 HE3 LYS 57 1HE LYS 57 23.531 6.007 0.327 415 HZ1 LYS 57 3HZ LYS 57 24.014 4.183 -1.966 416 HZ2 LYS 57 1HZ LYS 57 23.039 3.824 -0.631 417 HZ3 LYS 57 2HZ LYS 57 24.697 4.062 -0.426 418 H ALA 58 H ALA 58 20.867 3.990 -3.828 419 HA ALA 58 HA ALA 58 18.563 2.413 -4.499 420 HB1 ALA 58 3HB ALA 58 20.611 2.299 -5.821 421 HB2 ALA 58 1HB ALA 58 20.170 0.713 -5.189 422 HB3 ALA 58 2HB ALA 58 21.478 1.630 -4.440 423 H GLY 59 H GLY 59 17.798 0.536 -3.524 424 HA2 GLY 59 2HA GLY 59 18.856 -1.040 -1.573 425 HA3 GLY 59 1HA GLY 59 18.218 0.327 -0.671 426 H THR 60 H THR 60 17.277 -2.247 -0.242 427 HA THR 60 HA THR 60 14.689 -2.386 -1.613 428 HB THR 60 HB THR 60 16.040 -4.342 0.265 429 HG1 THR 60 HG1 THR 60 16.891 -4.803 -1.645 430 HG21 THR 60 3HG2 THR 60 14.174 -5.873 -0.221 431 HG22 THR 60 1HG2 THR 60 13.350 -4.590 -1.111 432 HG23 THR 60 2HG2 THR 60 13.612 -4.433 0.627 433 H TYR 61 H TYR 61 12.908 -1.574 -0.750 434 HA TYR 61 HA TYR 61 12.782 -1.060 2.156 435 HB2 TYR 61 2HB TYR 61 11.351 0.568 0.042 436 HB3 TYR 61 1HB TYR 61 11.604 0.975 1.736 437 HD1 TYR 61 HD1 TYR 61 13.914 1.619 2.506 438 HD2 TYR 61 HD2 TYR 61 12.972 1.123 -1.617 439 HE1 TYR 61 HE1 TYR 61 15.933 2.880 1.893 440 HE2 TYR 61 HE2 TYR 61 14.996 2.373 -2.232 441 HH TYR 61 HH TYR 61 16.567 3.882 -1.381 442 H VAL 62 H VAL 62 11.394 -2.519 3.021 443 HA VAL 62 HA VAL 62 9.124 -3.506 1.463 444 HB VAL 62 HB VAL 62 10.011 -4.306 4.246 445 HG11 VAL 62 1HG1 VAL 62 8.063 -5.613 2.336 446 HG12 VAL 62 2HG1 VAL 62 7.657 -4.796 3.845 447 HG13 VAL 62 3HG1 VAL 62 8.595 -6.289 3.877 448 HG21 VAL 62 3HG2 VAL 62 11.740 -4.817 2.593 449 HG22 VAL 62 1HG2 VAL 62 10.552 -5.646 1.585 450 HG23 VAL 62 2HG2 VAL 62 10.975 -6.297 3.170 451 H LEU 63 H LEU 63 7.368 -2.259 1.457 452 HA LEU 63 HA LEU 63 6.751 -0.492 3.693 453 HB2 LEU 63 2HB LEU 63 5.307 -0.812 1.056 454 HB3 LEU 63 1HB LEU 63 5.100 0.493 2.210 455 HG LEU 63 HG LEU 63 7.574 -0.053 0.556 456 HD11 LEU 63 1HD1 LEU 63 5.544 2.177 0.432 457 HD12 LEU 63 2HD1 LEU 63 5.740 0.877 -0.742 458 HD13 LEU 63 3HD1 LEU 63 7.018 2.072 -0.530 459 HD21 LEU 63 3HD2 LEU 63 8.202 0.824 2.738 460 HD22 LEU 63 1HD2 LEU 63 7.038 2.137 2.568 461 HD23 LEU 63 2HD2 LEU 63 8.432 2.051 1.493 462 H THR 64 H THR 64 4.765 -0.462 4.801 463 HA THR 64 HA THR 64 3.091 -2.896 4.536 464 HB THR 64 HB THR 64 3.735 -1.396 7.095 465 HG1 THR 64 HG1 THR 64 5.433 -2.705 6.839 466 HG21 THR 64 3HG2 THR 64 2.475 -3.191 8.218 467 HG22 THR 64 1HG2 THR 64 2.026 -3.851 6.645 468 HG23 THR 64 2HG2 THR 64 1.446 -2.257 7.132 469 H TYR 65 H TYR 65 0.903 -2.605 4.411 470 HA TYR 65 HA TYR 65 -0.119 0.163 4.629 471 HB2 TYR 65 2HB TYR 65 -0.956 -1.958 2.632 472 HB3 TYR 65 1HB TYR 65 -1.649 -0.345 2.761 473 HD1 TYR 65 HD2 TYR 65 -0.289 1.642 2.132 474 HD2 TYR 65 HD1 TYR 65 1.132 -2.328 1.516 475 HE1 TYR 65 HE2 TYR 65 1.416 2.495 0.583 476 HE2 TYR 65 HE1 TYR 65 2.845 -1.479 -0.030 477 HH TYR 65 HH TYR 65 3.157 0.537 -1.499 478 H THR 66 H THR 66 -2.116 0.472 5.563 479 HA THR 66 HA THR 66 -3.618 -1.881 6.512 480 HB THR 66 HB THR 66 -2.708 0.417 8.270 481 HG1 THR 66 HG1 THR 66 -1.699 -2.034 7.777 482 HG21 THR 66 3HG2 THR 66 -5.022 -0.172 8.810 483 HG22 THR 66 1HG2 THR 66 -3.930 -0.698 10.092 484 HG23 THR 66 2HG2 THR 66 -4.571 -1.874 8.941 485 H VAL 67 H VAL 67 -5.822 -1.625 6.397 486 HA VAL 67 HA VAL 67 -6.872 1.112 6.013 487 HB VAL 67 HB VAL 67 -6.820 -0.022 3.829 488 HG11 VAL 67 1HG1 VAL 67 -8.262 -1.968 3.396 489 HG12 VAL 67 2HG1 VAL 67 -8.627 -2.069 5.119 490 HG13 VAL 67 3HG1 VAL 67 -6.978 -2.334 4.550 491 HG21 VAL 67 3HG2 VAL 67 -9.618 0.339 4.919 492 HG22 VAL 67 1HG2 VAL 67 -9.175 0.316 3.212 493 HG23 VAL 67 2HG2 VAL 67 -8.584 1.607 4.259 494 H THR 68 H THR 68 -8.905 1.552 6.912 495 HA THR 68 HA THR 68 -9.839 -0.467 8.857 496 HB THR 68 HB THR 68 -10.192 2.538 9.052 497 HG1 THR 68 HG1 THR 68 -8.526 1.093 10.793 498 HG21 THR 68 3HG2 THR 68 -11.909 1.267 10.257 499 HG22 THR 68 1HG2 THR 68 -10.807 2.057 11.386 500 HG23 THR 68 2HG2 THR 68 -10.654 0.328 11.068 501 H ASP 69 H ASP 69 -11.970 -0.891 9.116 502 HA ASP 69 HA ASP 69 -13.772 -0.293 6.898 503 HB2 ASP 69 2HB ASP 69 -13.306 -2.608 7.851 504 HB3 ASP 69 1HB ASP 69 -14.164 -2.107 9.292 505 H SER 70 H SER 70 -15.912 0.567 7.251 506 HA SER 70 HA SER 70 -16.139 2.598 9.226 507 HB2 SER 70 2HB SER 70 -17.333 2.742 7.088 508 HB3 SER 70 1HB SER 70 -18.293 1.328 7.513 509 HG SER 70 HG SER 70 -19.556 2.556 8.657 510 H LYS 71 H LYS 71 -16.936 -0.769 9.217 511 HA LYS 71 HA LYS 71 -18.572 -0.594 11.628 512 HB2 LYS 71 2HB LYS 71 -17.588 -3.044 10.148 513 HB3 LYS 71 1HB LYS 71 -18.841 -3.002 11.382 514 HG2 LYS 71 2HG LYS 71 -19.019 -1.573 8.736 515 HG3 LYS 71 1HG LYS 71 -19.688 -3.173 9.052 516 HD2 LYS 71 2HD LYS 71 -21.215 -2.292 10.676 517 HD3 LYS 71 1HD LYS 71 -20.440 -0.705 10.622 518 HE2 LYS 71 2HE LYS 71 -22.617 -0.945 9.334 519 HE3 LYS 71 1HE LYS 71 -21.250 -0.267 8.450 520 HZ1 LYS 71 3HZ LYS 71 -22.437 -1.911 7.138 521 HZ2 LYS 71 1HZ LYS 71 -22.162 -3.093 8.316 522 HZ3 LYS 71 2HZ LYS 71 -20.859 -2.432 7.455 523 H GLY 72 H GLY 72 -15.281 -0.660 10.991 524 HA2 GLY 72 2HA GLY 72 -13.810 -0.369 12.891 525 HA3 GLY 72 1HA GLY 72 -14.754 -1.561 13.759 526 H HIS 73 H HIS 73 -14.440 -2.949 10.808 527 HA HIS 73 HA HIS 73 -12.449 -4.794 11.673 528 HB2 HIS 73 2HB HIS 73 -13.658 -4.389 8.922 529 HB3 HIS 73 1HB HIS 73 -12.638 -5.746 9.377 530 HD1 HIS 73 HD1 HIS 73 -16.035 -5.047 8.863 531 HD2 HIS 73 HD2 HIS 73 -13.943 -7.067 11.837 532 HE1 HIS 73 HE1 HIS 73 -17.714 -6.544 9.971 533 HE2 HIS 73 HE2 HIS 73 -16.473 -7.583 11.895 534 H GLU 74 H GLU 74 -10.276 -4.970 11.148 535 HA GLU 74 HA GLU 74 -9.143 -2.923 9.346 536 HB2 GLU 74 2HB GLU 74 -8.901 -2.144 11.661 537 HB3 GLU 74 1HB GLU 74 -8.069 -3.628 12.087 538 HG2 GLU 74 2HG GLU 74 -6.767 -2.348 9.847 539 HG3 GLU 74 1HG GLU 74 -6.939 -1.225 11.193 540 H VAL 75 H VAL 75 -7.666 -3.657 7.942 541 HA VAL 75 HA VAL 75 -6.384 -6.273 8.415 542 HB VAL 75 HB VAL 75 -6.669 -6.861 6.029 543 HG11 VAL 75 1HG1 VAL 75 -9.052 -7.450 6.131 544 HG12 VAL 75 2HG1 VAL 75 -9.270 -6.331 7.478 545 HG13 VAL 75 3HG1 VAL 75 -8.242 -7.752 7.668 546 HG21 VAL 75 3HG2 VAL 75 -8.464 -4.431 5.914 547 HG22 VAL 75 1HG2 VAL 75 -8.279 -5.633 4.637 548 HG23 VAL 75 2HG2 VAL 75 -6.912 -4.617 5.097 549 H THR 76 H THR 76 -4.466 -6.657 6.988 550 HA THR 76 HA THR 76 -3.093 -4.193 6.162 551 HB THR 76 HB THR 76 -2.405 -4.305 8.435 552 HG1 THR 76 HG1 THR 76 -0.236 -4.377 8.136 553 HG21 THR 76 3HG2 THR 76 -1.459 -6.294 9.485 554 HG22 THR 76 1HG2 THR 76 -1.686 -7.210 7.995 555 HG23 THR 76 2HG2 THR 76 -3.088 -6.628 8.896 556 H ALA 77 H ALA 77 -1.401 -4.453 4.714 557 HA ALA 77 HA ALA 77 -0.515 -7.123 3.932 558 HB1 ALA 77 3HB ALA 77 -1.852 -5.261 1.964 559 HB2 ALA 77 1HB ALA 77 -2.487 -6.802 2.539 560 HB3 ALA 77 2HB ALA 77 -1.027 -6.765 1.552 561 H LYS 78 H LYS 78 1.433 -7.054 2.538 562 HA LYS 78 HA LYS 78 2.868 -4.482 2.835 563 HB2 LYS 78 2HB LYS 78 3.960 -7.265 3.302 564 HB3 LYS 78 1HB LYS 78 4.916 -5.788 3.335 565 HG2 LYS 78 2HG LYS 78 3.591 -4.960 5.215 566 HG3 LYS 78 1HG LYS 78 2.619 -6.432 5.179 567 HD2 LYS 78 2HD LYS 78 4.624 -7.763 5.685 568 HD3 LYS 78 1HD LYS 78 5.593 -6.287 5.721 569 HE2 LYS 78 2HE LYS 78 4.267 -5.454 7.597 570 HE3 LYS 78 1HE LYS 78 3.269 -6.908 7.548 571 HZ1 LYS 78 3HZ LYS 78 6.168 -6.786 8.166 572 HZ2 LYS 78 1HZ LYS 78 5.268 -8.209 8.028 573 HZ3 LYS 78 2HZ LYS 78 4.920 -7.106 9.258 574 H GLN 79 H GLN 79 4.720 -4.152 1.472 575 HA GLN 79 HA GLN 79 4.799 -5.654 -1.061 576 HB2 GLN 79 2HB GLN 79 3.387 -3.768 -1.594 577 HB3 GLN 79 1HB GLN 79 4.473 -2.657 -0.766 578 HG2 GLN 79 2HG GLN 79 6.212 -3.176 -2.481 579 HG3 GLN 79 1HG GLN 79 5.008 -4.133 -3.343 580 HE21 GLN 79 1HE2 GLN 79 4.283 -1.140 -1.675 581 HE22 GLN 79 2HE2 GLN 79 3.943 -0.231 -3.099 582 H THR 80 H THR 80 6.866 -5.904 -1.886 583 HA THR 80 HA THR 80 9.068 -4.656 -0.369 584 HB THR 80 HB THR 80 9.095 -7.093 -2.167 585 HG1 THR 80 HG1 THR 80 8.116 -7.298 -0.031 586 HG21 THR 80 3HG2 THR 80 11.241 -5.922 -2.279 587 HG22 THR 80 1HG2 THR 80 11.398 -7.425 -1.372 588 HG23 THR 80 2HG2 THR 80 11.326 -5.884 -0.517 589 H VAL 81 H VAL 81 9.677 -2.778 -1.305 590 HA VAL 81 HA VAL 81 9.890 -2.596 -4.231 591 HB VAL 81 HB VAL 81 10.301 -0.426 -2.152 592 HG11 VAL 81 1HG1 VAL 81 9.904 -0.216 -5.145 593 HG12 VAL 81 2HG1 VAL 81 11.424 0.033 -4.283 594 HG13 VAL 81 3HG1 VAL 81 10.072 1.134 -4.020 595 HG21 VAL 81 3HG2 VAL 81 8.006 -1.273 -2.081 596 HG22 VAL 81 1HG2 VAL 81 7.848 -1.018 -3.820 597 HG23 VAL 81 2HG2 VAL 81 8.060 0.362 -2.743 598 H THR 82 H THR 82 11.864 -2.310 -5.289 599 HA THR 82 HA THR 82 14.297 -2.227 -3.625 600 HB THR 82 HB THR 82 13.902 -4.066 -6.002 601 HG1 THR 82 HG1 THR 82 14.484 -4.822 -3.318 602 HG21 THR 82 3HG2 THR 82 16.191 -3.207 -5.924 603 HG22 THR 82 1HG2 THR 82 16.157 -4.907 -5.457 604 HG23 THR 82 2HG2 THR 82 16.317 -3.657 -4.224 605 H VAL 83 H VAL 83 15.333 -0.414 -4.111 606 HA VAL 83 HA VAL 83 15.217 0.726 -6.801 607 HB VAL 83 HB VAL 83 16.509 1.838 -4.293 608 HG11 VAL 83 1HG1 VAL 83 15.893 3.161 -6.941 609 HG12 VAL 83 2HG1 VAL 83 17.493 2.778 -6.310 610 HG13 VAL 83 3HG1 VAL 83 16.495 3.985 -5.501 611 HG21 VAL 83 3HG2 VAL 83 13.819 2.457 -5.519 612 HG22 VAL 83 1HG2 VAL 83 14.550 3.320 -4.167 613 HG23 VAL 83 2HG2 VAL 83 14.108 1.622 -3.993 614 H LYS 84 H LYS 84 16.939 0.816 -8.178 615 HA LYS 84 HA LYS 84 19.514 -0.312 -7.263 616 HB2 LYS 84 2HB LYS 84 18.251 -0.640 -9.997 617 HB3 LYS 84 1HB LYS 84 19.809 -1.286 -9.497 618 HG2 LYS 84 2HG LYS 84 18.656 -2.683 -7.814 619 HG3 LYS 84 1HG LYS 84 17.108 -2.075 -8.403 620 HD2 LYS 84 2HD LYS 84 17.526 -4.227 -9.405 621 HD3 LYS 84 1HD LYS 84 17.661 -2.989 -10.655 622 HE2 LYS 84 2HE LYS 84 19.458 -4.556 -10.937 623 HE3 LYS 84 1HE LYS 84 20.139 -3.042 -10.347 624 HZ1 LYS 84 3HZ LYS 84 21.127 -4.855 -9.173 625 HZ2 LYS 84 1HZ LYS 84 19.617 -5.498 -8.767 626 HZ3 LYS 84 2HZ LYS 84 20.114 -4.032 -8.094 627 H VAL 85 H VAL 85 21.415 0.545 -8.178 628 HA VAL 85 HA VAL 85 21.285 3.339 -8.837 629 HB VAL 85 HB VAL 85 23.723 1.539 -8.898 630 HG11 VAL 85 1HG1 VAL 85 24.973 3.623 -8.515 631 HG12 VAL 85 2HG1 VAL 85 23.466 4.537 -8.598 632 HG13 VAL 85 3HG1 VAL 85 24.058 3.681 -10.022 633 HG21 VAL 85 3HG2 VAL 85 22.657 1.372 -6.718 634 HG22 VAL 85 1HG2 VAL 85 22.591 3.131 -6.591 635 HG23 VAL 85 2HG2 VAL 85 24.150 2.304 -6.595 636 H ARG 86 H ARG 86 22.074 4.349 -10.753 637 HA ARG 86 HA ARG 86 21.880 2.655 -13.163 638 HB2 ARG 86 2HB ARG 86 21.309 4.654 -14.394 639 HB3 ARG 86 1HB ARG 86 20.272 4.547 -12.979 640 HG2 ARG 86 2HG ARG 86 21.490 6.260 -11.851 641 HG3 ARG 86 1HG ARG 86 22.765 6.239 -13.069 642 HD2 ARG 86 2HD ARG 86 21.121 7.028 -14.750 643 HD3 ARG 86 1HD ARG 86 19.903 7.122 -13.477 644 HE ARG 86 HE ARG 86 21.552 8.752 -12.405 645 HH11 ARG 86 1HH1 ARG 86 21.287 8.355 -15.817 646 HH12 ARG 86 2HH1 ARG 86 21.671 10.007 -16.150 647 HH21 ARG 86 1HH2 ARG 86 22.080 10.862 -12.852 648 HH22 ARG 86 2HH2 ARG 86 22.145 11.400 -14.496 649 H GLU 87 H GLU 87 23.394 2.923 -14.875 650 HA GLU 87 HA GLU 87 25.978 4.059 -14.107 651 HB2 GLU 87 2HB GLU 87 25.138 2.423 -16.514 652 HB3 GLU 87 1HB GLU 87 26.762 3.053 -16.272 653 HG2 GLU 87 2HG GLU 87 26.941 1.767 -14.183 654 HG3 GLU 87 1HG GLU 87 25.330 1.110 -14.463 655 H GLU 88 H GLU 88 26.441 6.094 -14.571 656 HA GLU 88 HA GLU 88 24.927 7.460 -16.712 657 HB2 GLU 88 2HB GLU 88 25.137 9.511 -15.286 658 HB3 GLU 88 1HB GLU 88 24.155 8.234 -14.579 659 HG2 GLU 88 2HG GLU 88 26.116 7.544 -13.215 660 HG3 GLU 88 1HG GLU 88 27.002 8.924 -13.865 661 H VAL 89 H VAL 89 26.014 9.623 -17.317 662 HA VAL 89 HA VAL 89 28.890 9.142 -17.799 663 HB VAL 89 HB VAL 89 28.704 10.530 -19.776 664 HG11 VAL 89 1HG1 VAL 89 28.161 8.184 -20.069 665 HG12 VAL 89 2HG1 VAL 89 27.168 9.174 -21.137 666 HG13 VAL 89 3HG1 VAL 89 26.473 8.497 -19.664 667 HG21 VAL 89 3HG2 VAL 89 25.808 10.941 -19.007 668 HG22 VAL 89 1HG2 VAL 89 26.547 11.464 -20.521 669 HG23 VAL 89 2HG2 VAL 89 27.080 12.164 -18.992 670 H LYS 90 H LYS 90 29.981 11.447 -18.351 671 HA LYS 90 HA LYS 90 29.254 13.302 -16.169 672 HB2 LYS 90 2HB LYS 90 31.581 14.199 -16.412 673 HB3 LYS 90 1HB LYS 90 31.501 12.533 -15.855 674 HG2 LYS 90 2HG LYS 90 32.057 11.739 -18.089 675 HG3 LYS 90 1HG LYS 90 32.090 13.402 -18.684 676 HD2 LYS 90 2HD LYS 90 33.971 13.926 -17.272 677 HD3 LYS 90 1HD LYS 90 33.874 12.350 -16.486 678 HE2 LYS 90 2HE LYS 90 34.485 12.801 -19.408 679 HE3 LYS 90 1HE LYS 90 35.684 12.464 -18.160 680 HZ1 LYS 90 3HZ LYS 90 34.498 10.349 -17.737 681 HZ2 LYS 90 1HZ LYS 90 35.163 10.447 -19.289 682 HZ3 LYS 90 2HZ LYS 90 33.503 10.664 -19.070 683 H ASN 91 H ASN 91 29.091 15.517 -16.592 684 HA ASN 91 HA ASN 91 29.218 16.504 -19.318 685 HB2 ASN 91 2HB ASN 91 27.013 15.306 -19.170 686 HB3 ASN 91 1HB ASN 91 26.547 16.411 -17.882 687 HD21 ASN 91 1HD2 ASN 91 27.164 16.079 -21.275 688 HD22 ASN 91 2HD2 ASN 91 26.439 17.567 -21.755 689 H ASP 92 H ASP 92 28.756 18.837 -19.448 690 HA ASP 92 HA ASP 92 29.716 20.268 -17.142 691 HB2 ASP 92 2HB ASP 92 28.813 21.154 -19.888 692 HB3 ASP 92 1HB ASP 92 29.370 22.284 -18.656 693 H LYS 93 H LYS 93 27.247 19.008 -16.562 694 HA LYS 93 HA LYS 93 25.297 19.361 -15.475 695 HB2 LYS 93 2HB LYS 93 26.278 22.220 -15.292 696 HB3 LYS 93 1HB LYS 93 24.956 21.533 -14.355 697 HG2 LYS 93 2HG LYS 93 26.550 19.928 -13.343 698 HG3 LYS 93 1HG LYS 93 27.858 20.713 -14.230 699 HD2 LYS 93 2HD LYS 93 27.792 21.552 -11.955 700 HD3 LYS 93 1HD LYS 93 27.338 22.835 -13.078 701 HE2 LYS 93 2HE LYS 93 24.976 22.461 -12.570 702 HE3 LYS 93 1HE LYS 93 25.406 21.140 -11.485 703 HZ1 LYS 93 3HZ LYS 93 26.624 22.751 -10.120 704 HZ2 LYS 93 1HZ LYS 93 24.983 23.138 -10.241 705 HZ3 LYS 93 2HZ LYS 93 26.125 24.000 -11.140 706 HA PRO 94 HA PRO 94 22.906 20.775 -19.113 707 HB2 PRO 94 2HB PRO 94 20.994 18.717 -18.283 708 HB3 PRO 94 1HB PRO 94 21.926 18.831 -19.776 709 HG2 PRO 94 2HG PRO 94 22.414 16.942 -17.893 710 HG3 PRO 94 1HG PRO 94 23.690 17.615 -18.926 711 HD2 PRO 94 2HD PRO 94 22.986 18.308 -16.088 712 HD3 PRO 94 1HD PRO 94 24.587 18.059 -16.822 713 H ILE 95 H ILE 95 22.791 22.324 -16.785 714 HA ILE 95 HA ILE 95 20.101 22.308 -15.695 715 HB ILE 95 HB ILE 95 22.207 24.430 -15.229 716 HG12 ILE 95 2HG1 ILE 95 23.243 22.238 -14.813 717 HG13 ILE 95 1HG1 ILE 95 22.993 23.104 -13.303 718 HG21 ILE 95 1HG2 ILE 95 19.978 24.960 -14.384 719 HG22 ILE 95 2HG2 ILE 95 21.091 24.672 -13.048 720 HG23 ILE 95 3HG2 ILE 95 19.928 23.428 -13.511 721 HD11 ILE 95 3HD1 ILE 95 21.276 20.869 -14.368 722 HD12 ILE 95 1HD1 ILE 95 21.010 21.739 -12.857 723 HD13 ILE 95 2HD1 ILE 95 22.459 20.753 -13.065 724 H LEU 96 H LEU 96 20.443 22.858 -18.580 725 HA LEU 96 HA LEU 96 19.891 25.670 -18.986 726 HB2 LEU 96 2HB LEU 96 19.890 23.298 -20.865 727 HB3 LEU 96 1HB LEU 96 19.530 24.935 -21.375 728 HG LEU 96 HG LEU 96 21.818 25.624 -20.631 729 HD11 LEU 96 1HD1 LEU 96 23.514 23.902 -20.245 730 HD12 LEU 96 2HD1 LEU 96 22.263 22.657 -20.280 731 HD13 LEU 96 3HD1 LEU 96 22.263 23.874 -19.002 732 HD21 LEU 96 3HD2 LEU 96 21.710 23.432 -22.706 733 HD22 LEU 96 1HD2 LEU 96 22.994 24.629 -22.536 734 HD23 LEU 96 2HD2 LEU 96 21.365 25.140 -22.974 735 H GLU 97 H GLU 97 18.029 24.585 -17.237 736 HA GLU 97 HA GLU 97 15.580 24.001 -18.723 737 HB2 GLU 97 2HB GLU 97 16.184 24.042 -15.756 738 HB3 GLU 97 1HB GLU 97 14.622 23.622 -16.445 739 HG2 GLU 97 2HG GLU 97 17.187 22.144 -17.006 740 HG3 GLU 97 1HG GLU 97 16.004 21.668 -15.789 Start of MODEL 20 1 H1 MET 1 1H MET 1 -26.670 -11.569 19.449 2 H2 MET 1 2H MET 1 -25.209 -11.568 20.304 3 H3 MET 1 3H MET 1 -26.125 -10.154 20.199 4 HA MET 1 HA MET 1 -26.947 -12.646 21.574 5 HB2 MET 1 2HB MET 1 -25.154 -11.451 22.760 6 HB3 MET 1 1HB MET 1 -26.089 -9.965 22.698 7 HG2 MET 1 2HG MET 1 -27.797 -10.959 24.120 8 HG3 MET 1 1HG MET 1 -26.904 -12.479 24.150 9 HE1 MET 1 3HE MET 1 -26.473 -11.095 27.806 10 HE2 MET 1 1HE MET 1 -27.030 -12.445 26.818 11 HE3 MET 1 2HE MET 1 -27.893 -10.907 26.777 12 H GLY 2 H GLY 2 -29.085 -12.875 21.308 13 HA2 GLY 2 2HA GLY 2 -31.328 -12.403 21.604 14 HA3 GLY 2 1HA GLY 2 -30.876 -10.831 22.240 15 H ASN 3 H ASN 3 -30.152 -9.210 20.549 16 HA ASN 3 HA ASN 3 -32.243 -9.013 18.586 17 HB2 ASN 3 2HB ASN 3 -29.860 -7.201 19.039 18 HB3 ASN 3 1HB ASN 3 -31.289 -6.815 18.086 19 HD21 ASN 3 1HD2 ASN 3 -30.190 -5.471 20.411 20 HD22 ASN 3 2HD2 ASN 3 -31.439 -5.457 21.601 21 H GLY 4 H GLY 4 -32.183 -9.498 16.471 22 HA2 GLY 4 2HA GLY 4 -30.156 -10.982 15.263 23 HA3 GLY 4 1HA GLY 4 -31.422 -10.128 14.398 24 H GLU 5 H GLU 5 -28.489 -10.550 13.848 25 HA GLU 5 HA GLU 5 -27.686 -7.718 13.618 26 HB2 GLU 5 2HB GLU 5 -25.298 -8.727 13.516 27 HB3 GLU 5 1HB GLU 5 -26.099 -8.570 15.070 28 HG2 GLU 5 2HG GLU 5 -24.959 -10.685 14.941 29 HG3 GLU 5 1HG GLU 5 -26.699 -10.950 14.997 30 H THR 6 H THR 6 -26.032 -7.349 11.844 31 HA THR 6 HA THR 6 -26.986 -8.658 9.372 32 HB THR 6 HB THR 6 -26.231 -6.655 8.168 33 HG1 THR 6 HG1 THR 6 -25.032 -5.159 9.104 34 HG21 THR 6 3HG2 THR 6 -28.526 -6.669 9.020 35 HG22 THR 6 1HG2 THR 6 -27.856 -5.037 9.062 36 HG23 THR 6 2HG2 THR 6 -27.975 -5.979 10.548 37 H SER 7 H SER 7 -25.477 -9.136 7.689 38 HA SER 7 HA SER 7 -23.007 -10.241 8.632 39 HB2 SER 7 2HB SER 7 -22.693 -10.882 6.220 40 HB3 SER 7 1HB SER 7 -24.221 -11.423 6.912 41 HG SER 7 HG SER 7 -24.626 -10.520 4.905 42 H ASP 8 H ASP 8 -21.092 -9.243 8.793 43 HA ASP 8 HA ASP 8 -20.656 -6.729 7.321 44 HB2 ASP 8 2HB ASP 8 -20.506 -6.468 9.716 45 HB3 ASP 8 1HB ASP 8 -19.355 -7.794 9.832 46 H LEU 9 H LEU 9 -19.240 -6.613 5.737 47 HA LEU 9 HA LEU 9 -17.437 -8.862 5.218 48 HB2 LEU 9 2HB LEU 9 -18.245 -6.520 3.484 49 HB3 LEU 9 1HB LEU 9 -17.153 -7.801 2.987 50 HG LEU 9 HG LEU 9 -20.081 -8.133 3.678 51 HD11 LEU 9 1HD1 LEU 9 -18.631 -8.335 1.039 52 HD12 LEU 9 2HD1 LEU 9 -19.730 -7.043 1.527 53 HD13 LEU 9 3HD1 LEU 9 -20.339 -8.683 1.308 54 HD21 LEU 9 3HD2 LEU 9 -19.792 -10.456 2.930 55 HD22 LEU 9 1HD2 LEU 9 -18.813 -10.100 4.354 56 HD23 LEU 9 2HD2 LEU 9 -18.057 -10.181 2.761 57 H GLU 10 H GLU 10 -15.263 -8.701 5.238 58 HA GLU 10 HA GLU 10 -14.017 -6.322 6.314 59 HB2 GLU 10 2HB GLU 10 -11.905 -7.651 6.230 60 HB3 GLU 10 1HB GLU 10 -13.185 -8.413 7.160 61 HG2 GLU 10 2HG GLU 10 -12.554 -9.145 4.306 62 HG3 GLU 10 1HG GLU 10 -11.812 -9.934 5.696 63 HA PRO 11 HA PRO 11 -13.215 -4.327 2.541 64 HB2 PRO 11 2HB PRO 11 -10.976 -2.875 3.142 65 HB3 PRO 11 1HB PRO 11 -12.590 -2.482 3.748 66 HG2 PRO 11 2HG PRO 11 -10.365 -3.961 5.111 67 HG3 PRO 11 1HG PRO 11 -11.434 -2.702 5.760 68 HD2 PRO 11 2HD PRO 11 -11.843 -5.317 6.271 69 HD3 PRO 11 1HD PRO 11 -13.192 -4.179 6.079 70 H LYS 12 H LYS 12 -12.275 -4.730 0.635 71 HA LYS 12 HA LYS 12 -10.096 -6.627 0.432 72 HB2 LYS 12 2HB LYS 12 -11.995 -6.776 -1.089 73 HB3 LYS 12 1HB LYS 12 -11.668 -5.156 -1.691 74 HG2 LYS 12 2HG LYS 12 -9.665 -5.852 -2.755 75 HG3 LYS 12 1HG LYS 12 -9.674 -7.402 -1.911 76 HD2 LYS 12 2HD LYS 12 -10.389 -7.699 -4.207 77 HD3 LYS 12 1HD LYS 12 -11.723 -8.026 -3.101 78 HE2 LYS 12 2HE LYS 12 -12.506 -6.740 -5.013 79 HE3 LYS 12 1HE LYS 12 -12.626 -5.778 -3.543 80 HZ1 LYS 12 3HZ LYS 12 -10.434 -5.583 -5.538 81 HZ2 LYS 12 1HZ LYS 12 -10.614 -4.620 -4.161 82 HZ3 LYS 12 2HZ LYS 12 -11.739 -4.517 -5.420 83 H LEU 13 H LEU 13 -8.085 -5.872 0.788 84 HA LEU 13 HA LEU 13 -7.356 -3.175 -0.133 85 HB2 LEU 13 2HB LEU 13 -6.954 -3.690 2.227 86 HB3 LEU 13 1HB LEU 13 -5.949 -5.053 1.774 87 HG LEU 13 HG LEU 13 -4.316 -3.508 0.751 88 HD11 LEU 13 1HD1 LEU 13 -6.099 -1.319 1.826 89 HD12 LEU 13 2HD1 LEU 13 -5.836 -1.704 0.124 90 HD13 LEU 13 3HD1 LEU 13 -4.503 -1.099 1.106 91 HD21 LEU 13 3HD2 LEU 13 -5.012 -2.835 3.616 92 HD22 LEU 13 1HD2 LEU 13 -3.458 -2.540 2.832 93 HD23 LEU 13 2HD2 LEU 13 -4.021 -4.192 3.076 94 H THR 14 H THR 14 -6.482 -3.086 -2.099 95 HA THR 14 HA THR 14 -4.966 -5.355 -3.153 96 HB THR 14 HB THR 14 -5.894 -2.820 -4.532 97 HG1 THR 14 HG1 THR 14 -6.967 -5.390 -4.190 98 HG21 THR 14 3HG2 THR 14 -5.260 -3.944 -6.628 99 HG22 THR 14 1HG2 THR 14 -4.598 -5.296 -5.709 100 HG23 THR 14 2HG2 THR 14 -3.856 -3.699 -5.592 101 H VAL 15 H VAL 15 -2.885 -5.416 -2.728 102 HA VAL 15 HA VAL 15 -1.229 -2.990 -2.975 103 HB VAL 15 HB VAL 15 -1.152 -4.965 -0.673 104 HG11 VAL 15 1HG1 VAL 15 0.767 -2.708 -1.275 105 HG12 VAL 15 2HG1 VAL 15 1.132 -4.431 -1.333 106 HG13 VAL 15 3HG1 VAL 15 0.743 -3.667 0.206 107 HG21 VAL 15 3HG2 VAL 15 -1.565 -3.007 0.733 108 HG22 VAL 15 1HG2 VAL 15 -2.861 -3.235 -0.440 109 HG23 VAL 15 2HG2 VAL 15 -1.644 -1.984 -0.702 110 HA PRO 16 HA PRO 16 1.329 -5.950 -5.236 111 HB2 PRO 16 2HB PRO 16 3.506 -4.369 -5.620 112 HB3 PRO 16 1HB PRO 16 2.014 -4.181 -6.546 113 HG2 PRO 16 2HG PRO 16 3.003 -2.604 -4.205 114 HG3 PRO 16 1HG PRO 16 2.192 -2.037 -5.675 115 HD2 PRO 16 2HD PRO 16 0.922 -2.372 -3.273 116 HD3 PRO 16 1HD PRO 16 0.104 -2.493 -4.839 117 H VAL 17 H VAL 17 2.843 -7.461 -4.620 118 HA VAL 17 HA VAL 17 3.709 -7.397 -1.864 119 HB VAL 17 HB VAL 17 2.857 -9.475 -2.852 120 HG11 VAL 17 1HG1 VAL 17 5.338 -9.421 -4.575 121 HG12 VAL 17 2HG1 VAL 17 3.678 -9.202 -5.130 122 HG13 VAL 17 3HG1 VAL 17 4.185 -10.753 -4.463 123 HG21 VAL 17 3HG2 VAL 17 4.613 -11.003 -2.036 124 HG22 VAL 17 1HG2 VAL 17 4.353 -9.646 -0.938 125 HG23 VAL 17 2HG2 VAL 17 5.757 -9.660 -2.006 126 H GLY 18 H GLY 18 5.233 -6.919 -4.993 127 HA2 GLY 18 2HA GLY 18 7.606 -5.886 -3.676 128 HA3 GLY 18 1HA GLY 18 7.882 -7.347 -4.612 129 H ALA 19 H ALA 19 8.793 -4.489 -4.910 130 HA ALA 19 HA ALA 19 8.170 -4.238 -7.767 131 HB1 ALA 19 3HB ALA 19 7.915 -1.935 -5.829 132 HB2 ALA 19 1HB ALA 19 6.576 -2.772 -6.614 133 HB3 ALA 19 2HB ALA 19 7.724 -1.846 -7.580 134 H THR 20 H THR 20 10.031 -4.085 -8.860 135 HA THR 20 HA THR 20 12.443 -3.081 -7.492 136 HB THR 20 HB THR 20 12.230 -4.626 -10.098 137 HG1 THR 20 HG1 THR 20 12.830 -6.411 -8.895 138 HG21 THR 20 3HG2 THR 20 14.663 -4.947 -9.839 139 HG22 THR 20 1HG2 THR 20 14.644 -3.897 -8.421 140 HG23 THR 20 2HG2 THR 20 14.242 -3.243 -10.010 141 H ILE 21 H ILE 21 13.060 -1.035 -7.911 142 HA ILE 21 HA ILE 21 12.459 0.109 -10.572 143 HB ILE 21 HB ILE 21 12.127 2.317 -9.553 144 HG12 ILE 21 2HG1 ILE 21 12.337 0.857 -6.897 145 HG13 ILE 21 1HG1 ILE 21 13.504 2.014 -7.532 146 HG21 ILE 21 1HG2 ILE 21 10.319 0.221 -8.340 147 HG22 ILE 21 2HG2 ILE 21 10.191 0.869 -9.976 148 HG23 ILE 21 3HG2 ILE 21 9.925 1.924 -8.588 149 HD11 ILE 21 3HD1 ILE 21 12.093 3.031 -5.847 150 HD12 ILE 21 1HD1 ILE 21 10.651 2.614 -6.771 151 HD13 ILE 21 2HD1 ILE 21 11.808 3.776 -7.420 152 H HIS 22 H HIS 22 13.807 2.275 -10.800 153 HA HIS 22 HA HIS 22 16.590 1.657 -10.019 154 HB2 HIS 22 2HB HIS 22 15.562 2.946 -12.560 155 HB3 HIS 22 1HB HIS 22 17.264 2.844 -12.120 156 HD1 HIS 22 HD1 HIS 22 14.558 0.951 -13.713 157 HD2 HIS 22 HD2 HIS 22 18.279 0.143 -12.053 158 HE1 HIS 22 HE1 HIS 22 15.189 -1.325 -14.557 159 HE2 HIS 22 HE2 HIS 22 17.532 -1.692 -13.718 160 H VAL 23 H VAL 23 18.022 3.447 -9.684 161 HA VAL 23 HA VAL 23 17.060 5.601 -8.203 162 HB VAL 23 HB VAL 23 19.655 5.398 -9.761 163 HG11 VAL 23 1HG1 VAL 23 19.188 7.722 -9.230 164 HG12 VAL 23 2HG1 VAL 23 20.495 7.124 -8.206 165 HG13 VAL 23 3HG1 VAL 23 18.868 7.301 -7.547 166 HG21 VAL 23 3HG2 VAL 23 19.049 4.809 -6.855 167 HG22 VAL 23 1HG2 VAL 23 20.637 4.727 -7.620 168 HG23 VAL 23 2HG2 VAL 23 19.363 3.609 -8.110 169 H GLY 24 H GLY 24 15.885 7.295 -8.835 170 HA2 GLY 24 2HA GLY 24 15.758 9.293 -10.273 171 HA3 GLY 24 1HA GLY 24 16.128 8.246 -11.636 172 H ASP 25 H ASP 25 14.289 6.156 -10.382 173 HA ASP 25 HA ASP 25 11.960 6.732 -11.846 174 HB2 ASP 25 2HB ASP 25 12.786 4.627 -9.915 175 HB3 ASP 25 1HB ASP 25 11.057 4.822 -10.171 176 H SER 26 H SER 26 9.896 7.294 -11.260 177 HA SER 26 HA SER 26 9.491 8.690 -8.724 178 HB2 SER 26 2HB SER 26 7.338 9.369 -9.674 179 HB3 SER 26 1HB SER 26 8.619 9.664 -10.850 180 HG SER 26 HG SER 26 7.996 7.496 -11.710 181 H PHE 27 H PHE 27 7.947 8.044 -7.150 182 HA PHE 27 HA PHE 27 6.530 5.524 -7.538 183 HB2 PHE 27 2HB PHE 27 8.822 4.920 -6.713 184 HB3 PHE 27 1HB PHE 27 8.490 5.840 -5.251 185 HD1 PHE 27 HD2 PHE 27 7.705 2.791 -7.139 186 HD2 PHE 27 HD1 PHE 27 6.970 4.990 -3.560 187 HE1 PHE 27 HE2 PHE 27 6.660 0.803 -6.131 188 HE2 PHE 27 HE1 PHE 27 5.928 3.006 -2.554 189 HZ PHE 27 HZ PHE 27 5.770 0.909 -3.838 190 H VAL 28 H VAL 28 4.512 6.051 -6.949 191 HA VAL 28 HA VAL 28 4.110 7.669 -4.507 192 HB VAL 28 HB VAL 28 2.244 7.405 -6.879 193 HG11 VAL 28 1HG1 VAL 28 2.028 9.098 -4.382 194 HG12 VAL 28 2HG1 VAL 28 0.999 7.734 -4.826 195 HG13 VAL 28 3HG1 VAL 28 0.961 9.215 -5.784 196 HG21 VAL 28 3HG2 VAL 28 4.217 8.711 -7.451 197 HG22 VAL 28 1HG2 VAL 28 3.990 9.722 -6.025 198 HG23 VAL 28 2HG2 VAL 28 2.805 9.760 -7.331 199 HA PRO 29 HA PRO 29 2.627 3.531 -3.221 200 HB2 PRO 29 2HB PRO 29 2.476 4.168 -0.548 201 HB3 PRO 29 1HB PRO 29 3.955 3.643 -1.357 202 HG2 PRO 29 2HG PRO 29 3.046 6.419 -0.688 203 HG3 PRO 29 1HG PRO 29 4.659 5.700 -0.523 204 HD2 PRO 29 2HD PRO 29 4.038 7.327 -2.577 205 HD3 PRO 29 1HD PRO 29 5.138 5.946 -2.783 206 H MET 30 H MET 30 1.185 6.671 -2.547 207 HA MET 30 HA MET 30 -1.348 5.505 -1.708 208 HB2 MET 30 2HB MET 30 -0.426 8.358 -2.054 209 HB3 MET 30 1HB MET 30 -2.075 7.935 -1.610 210 HG2 MET 30 2HG MET 30 0.139 6.805 0.023 211 HG3 MET 30 1HG MET 30 -0.231 8.516 0.197 212 HE1 MET 30 3HE MET 30 -1.690 4.844 0.489 213 HE2 MET 30 1HE MET 30 -2.866 5.615 -0.575 214 HE3 MET 30 2HE MET 30 -3.326 5.164 1.066 215 H ALA 31 H ALA 31 -0.061 5.573 -4.606 216 HA ALA 31 HA ALA 31 -2.634 6.148 -5.952 217 HB1 ALA 31 3HB ALA 31 -0.856 7.673 -6.669 218 HB2 ALA 31 1HB ALA 31 -1.374 6.625 -7.990 219 HB3 ALA 31 2HB ALA 31 0.139 6.298 -7.144 220 H GLU 32 H GLU 32 0.039 3.890 -5.593 221 HA GLU 32 HA GLU 32 -1.095 2.047 -7.546 222 HB2 GLU 32 2HB GLU 32 1.409 1.852 -5.854 223 HB3 GLU 32 1HB GLU 32 0.924 0.674 -7.068 224 HG2 GLU 32 2HG GLU 32 1.053 2.425 -8.796 225 HG3 GLU 32 1HG GLU 32 1.597 3.571 -7.571 226 H VAL 33 H VAL 33 -2.041 2.699 -4.577 227 HA VAL 33 HA VAL 33 -2.725 -0.108 -3.956 228 HB VAL 33 HB VAL 33 -2.185 2.113 -1.961 229 HG11 VAL 33 1HG1 VAL 33 -2.574 0.414 -0.226 230 HG12 VAL 33 2HG1 VAL 33 -3.054 -0.740 -1.468 231 HG13 VAL 33 3HG1 VAL 33 -4.022 0.706 -1.190 232 HG21 VAL 33 3HG2 VAL 33 -0.141 1.165 -2.904 233 HG22 VAL 33 1HG2 VAL 33 -0.692 -0.461 -2.496 234 HG23 VAL 33 2HG2 VAL 33 -0.322 0.693 -1.215 235 H LEU 34 H LEU 34 -4.872 -0.530 -3.438 236 HA LEU 34 HA LEU 34 -6.770 1.714 -3.309 237 HB2 LEU 34 2HB LEU 34 -6.289 0.715 -5.719 238 HB3 LEU 34 1HB LEU 34 -7.377 -0.549 -5.186 239 HG LEU 34 HG LEU 34 -8.084 2.393 -5.339 240 HD11 LEU 34 1HD1 LEU 34 -9.450 1.752 -7.272 241 HD12 LEU 34 2HD1 LEU 34 -8.801 0.114 -7.184 242 HD13 LEU 34 3HD1 LEU 34 -7.733 1.469 -7.555 243 HD21 LEU 34 3HD2 LEU 34 -9.803 -0.028 -4.797 244 HD22 LEU 34 1HD2 LEU 34 -10.393 1.617 -5.036 245 HD23 LEU 34 2HD2 LEU 34 -9.383 1.237 -3.642 246 H ALA 35 H ALA 35 -8.479 1.321 -1.938 247 HA ALA 35 HA ALA 35 -8.884 -1.463 -0.998 248 HB1 ALA 35 3HB ALA 35 -7.615 -0.212 0.671 249 HB2 ALA 35 1HB ALA 35 -9.220 -0.625 1.274 250 HB3 ALA 35 2HB ALA 35 -8.878 1.017 0.726 251 H ILE 36 H ILE 36 -10.911 -2.181 -1.133 252 HA ILE 36 HA ILE 36 -13.168 -0.268 -1.093 253 HB ILE 36 HB ILE 36 -12.876 -2.571 -3.047 254 HG12 ILE 36 2HG1 ILE 36 -11.493 -0.605 -3.657 255 HG13 ILE 36 1HG1 ILE 36 -12.793 -0.886 -4.808 256 HG21 ILE 36 1HG2 ILE 36 -15.182 -2.310 -2.346 257 HG22 ILE 36 2HG2 ILE 36 -14.994 -1.758 -4.009 258 HG23 ILE 36 3HG2 ILE 36 -15.127 -0.582 -2.699 259 HD11 ILE 36 3HD1 ILE 36 -12.754 1.198 -2.641 260 HD12 ILE 36 1HD1 ILE 36 -14.085 0.913 -3.762 261 HD13 ILE 36 2HD1 ILE 36 -12.526 1.471 -4.368 262 H ASP 37 H ASP 37 -14.762 -0.882 0.305 263 HA ASP 37 HA ASP 37 -15.054 -3.760 0.923 264 HB2 ASP 37 2HB ASP 37 -14.753 -2.177 2.874 265 HB3 ASP 37 1HB ASP 37 -16.292 -1.444 2.445 266 H LYS 38 H LYS 38 -16.852 -4.811 0.269 267 HA LYS 38 HA LYS 38 -18.309 -3.760 -1.886 268 HB2 LYS 38 2HB LYS 38 -17.832 -6.150 -1.571 269 HB3 LYS 38 1HB LYS 38 -18.916 -6.188 -0.187 270 HG2 LYS 38 2HG LYS 38 -20.823 -5.788 -1.575 271 HG3 LYS 38 1HG LYS 38 -19.799 -5.473 -2.979 272 HD2 LYS 38 2HD LYS 38 -18.994 -7.801 -2.897 273 HD3 LYS 38 1HD LYS 38 -20.051 -8.108 -1.517 274 HE2 LYS 38 2HE LYS 38 -22.009 -7.795 -2.851 275 HE3 LYS 38 1HE LYS 38 -21.060 -7.175 -4.204 276 HZ1 LYS 38 3HZ LYS 38 -20.069 -9.335 -4.486 277 HZ2 LYS 38 1HZ LYS 38 -21.753 -9.481 -4.529 278 HZ3 LYS 38 2HZ LYS 38 -20.897 -9.944 -3.144 279 H GLU 39 H GLU 39 -19.047 -3.822 1.535 280 HA GLU 39 HA GLU 39 -21.857 -3.222 1.223 281 HB2 GLU 39 2HB GLU 39 -21.860 -2.984 3.654 282 HB3 GLU 39 1HB GLU 39 -20.978 -4.435 3.189 283 HG2 GLU 39 2HG GLU 39 -18.863 -3.142 3.406 284 HG3 GLU 39 1HG GLU 39 -19.805 -1.793 4.030 285 H ASP 40 H ASP 40 -18.951 -1.343 2.042 286 HA ASP 40 HA ASP 40 -20.545 1.081 2.437 287 HB2 ASP 40 2HB ASP 40 -18.736 0.272 4.057 288 HB3 ASP 40 1HB ASP 40 -17.562 0.766 2.842 289 H GLY 41 H GLY 41 -17.745 -0.010 0.520 290 HA2 GLY 41 2HA GLY 41 -17.790 0.689 -1.871 291 HA3 GLY 41 1HA GLY 41 -18.158 2.304 -1.283 292 H ASP 42 H ASP 42 -16.431 3.526 -1.721 293 HA ASP 42 HA ASP 42 -13.782 2.500 -1.862 294 HB2 ASP 42 2HB ASP 42 -14.475 4.340 -3.290 295 HB3 ASP 42 1HB ASP 42 -14.789 5.352 -1.883 296 H LEU 43 H LEU 43 -12.460 2.089 -0.222 297 HA LEU 43 HA LEU 43 -12.593 3.809 2.184 298 HB2 LEU 43 2HB LEU 43 -11.677 0.932 2.006 299 HB3 LEU 43 1HB LEU 43 -11.690 1.912 3.461 300 HG LEU 43 HG LEU 43 -14.091 0.910 1.918 301 HD11 LEU 43 1HD1 LEU 43 -13.059 -0.766 3.327 302 HD12 LEU 43 2HD1 LEU 43 -14.604 -0.264 4.011 303 HD13 LEU 43 3HD1 LEU 43 -13.098 0.332 4.709 304 HD21 LEU 43 3HD2 LEU 43 -14.545 3.176 2.698 305 HD22 LEU 43 1HD2 LEU 43 -14.036 2.732 4.328 306 HD23 LEU 43 2HD2 LEU 43 -15.474 1.997 3.622 307 H THR 44 H THR 44 -10.970 3.801 -0.463 308 HA THR 44 HA THR 44 -8.275 3.250 0.077 309 HB THR 44 HB THR 44 -9.395 5.304 -1.854 310 HG1 THR 44 HG1 THR 44 -10.106 3.526 -2.769 311 HG21 THR 44 3HG2 THR 44 -6.690 3.946 -1.776 312 HG22 THR 44 1HG2 THR 44 -7.005 5.657 -1.485 313 HG23 THR 44 2HG2 THR 44 -7.279 4.970 -3.086 314 H SER 45 H SER 45 -10.166 6.153 0.730 315 HA SER 45 HA SER 45 -7.960 7.812 1.473 316 HB2 SER 45 2HB SER 45 -10.179 8.735 0.852 317 HB3 SER 45 1HB SER 45 -10.864 8.044 2.323 318 HG SER 45 HG SER 45 -10.217 9.778 3.301 319 H LYS 46 H LYS 46 -9.520 5.210 3.030 320 HA LYS 46 HA LYS 46 -8.758 6.028 5.731 321 HB2 LYS 46 2HB LYS 46 -10.177 3.562 4.721 322 HB3 LYS 46 1HB LYS 46 -9.867 3.925 6.415 323 HG2 LYS 46 2HG LYS 46 -11.232 5.962 6.220 324 HG3 LYS 46 1HG LYS 46 -11.564 5.564 4.532 325 HD2 LYS 46 2HD LYS 46 -12.650 3.493 5.219 326 HD3 LYS 46 1HD LYS 46 -12.273 3.843 6.905 327 HE2 LYS 46 2HE LYS 46 -13.996 5.596 5.148 328 HE3 LYS 46 1HE LYS 46 -14.624 4.374 6.254 329 HZ1 LYS 46 3HZ LYS 46 -13.010 6.748 7.020 330 HZ2 LYS 46 1HZ LYS 46 -13.573 5.563 8.085 331 HZ3 LYS 46 2HZ LYS 46 -14.670 6.553 7.267 332 H ILE 47 H ILE 47 -7.045 4.838 3.254 333 HA ILE 47 HA ILE 47 -5.619 2.709 4.595 334 HB ILE 47 HB ILE 47 -4.920 4.189 2.048 335 HG12 ILE 47 2HG1 ILE 47 -6.248 1.488 2.433 336 HG13 ILE 47 1HG1 ILE 47 -7.061 2.959 1.902 337 HG21 ILE 47 1HG2 ILE 47 -3.409 2.303 1.596 338 HG22 ILE 47 2HG2 ILE 47 -3.801 1.611 3.171 339 HG23 ILE 47 3HG2 ILE 47 -2.957 3.155 3.072 340 HD11 ILE 47 3HD1 ILE 47 -5.676 2.997 -0.109 341 HD12 ILE 47 1HD1 ILE 47 -6.583 1.493 0.032 342 HD13 ILE 47 2HD1 ILE 47 -4.864 1.524 0.422 343 H LYS 48 H LYS 48 -3.820 2.897 5.809 344 HA LYS 48 HA LYS 48 -2.400 5.486 5.863 345 HB2 LYS 48 2HB LYS 48 -3.374 4.918 8.026 346 HB3 LYS 48 1HB LYS 48 -2.591 3.343 7.994 347 HG2 LYS 48 2HG LYS 48 -0.412 4.368 8.166 348 HG3 LYS 48 1HG LYS 48 -1.123 5.978 8.049 349 HD2 LYS 48 2HD LYS 48 -1.637 3.993 10.272 350 HD3 LYS 48 1HD LYS 48 -0.545 5.374 10.370 351 HE2 LYS 48 2HE LYS 48 -2.487 6.868 9.915 352 HE3 LYS 48 1HE LYS 48 -3.540 5.455 9.975 353 HZ1 LYS 48 3HZ LYS 48 -1.854 6.487 12.191 354 HZ2 LYS 48 1HZ LYS 48 -2.791 5.079 12.262 355 HZ3 LYS 48 2HZ LYS 48 -3.539 6.584 12.083 356 H VAL 49 H VAL 49 -0.377 5.534 5.122 357 HA VAL 49 HA VAL 49 0.943 3.003 4.428 358 HB VAL 49 HB VAL 49 1.642 5.822 3.567 359 HG11 VAL 49 1HG1 VAL 49 3.586 4.356 3.521 360 HG12 VAL 49 2HG1 VAL 49 3.060 4.725 1.880 361 HG13 VAL 49 3HG1 VAL 49 2.684 3.156 2.593 362 HG21 VAL 49 3HG2 VAL 49 0.174 3.641 2.081 363 HG22 VAL 49 1HG2 VAL 49 0.694 5.179 1.389 364 HG23 VAL 49 2HG2 VAL 49 -0.516 5.153 2.673 365 H ASP 50 H ASP 50 2.533 2.250 5.662 366 HA ASP 50 HA ASP 50 4.120 4.118 7.297 367 HB2 ASP 50 2HB ASP 50 2.951 2.389 8.597 368 HB3 ASP 50 1HB ASP 50 3.725 1.130 7.637 369 H GLY 51 H GLY 51 6.366 4.077 7.189 370 HA2 GLY 51 2HA GLY 51 8.472 3.298 6.450 371 HA3 GLY 51 1HA GLY 51 7.661 2.226 5.322 372 H GLU 52 H GLU 52 9.816 3.670 4.476 373 HA GLU 52 HA GLU 52 8.628 5.345 2.409 374 HB2 GLU 52 2HB GLU 52 10.269 7.180 2.802 375 HB3 GLU 52 1HB GLU 52 9.102 6.994 4.105 376 HG2 GLU 52 2HG GLU 52 10.824 5.681 5.353 377 HG3 GLU 52 1HG GLU 52 11.978 6.103 4.090 378 H VAL 53 H VAL 53 10.005 5.680 0.574 379 HA VAL 53 HA VAL 53 12.272 3.780 0.408 380 HB VAL 53 HB VAL 53 10.274 4.455 -1.773 381 HG11 VAL 53 1HG1 VAL 53 12.600 2.522 -1.796 382 HG12 VAL 53 2HG1 VAL 53 12.492 4.034 -2.699 383 HG13 VAL 53 3HG1 VAL 53 11.403 2.699 -3.077 384 HG21 VAL 53 3HG2 VAL 53 9.533 2.131 -1.557 385 HG22 VAL 53 1HG2 VAL 53 9.308 3.016 -0.047 386 HG23 VAL 53 2HG2 VAL 53 10.655 1.892 -0.218 387 H ASP 54 H ASP 54 14.177 4.574 -0.396 388 HA ASP 54 HA ASP 54 14.312 7.328 -1.332 389 HB2 ASP 54 2HB ASP 54 16.459 5.221 -0.955 390 HB3 ASP 54 1HB ASP 54 16.770 6.875 -1.472 391 H THR 55 H THR 55 14.549 7.966 -3.427 392 HA THR 55 HA THR 55 14.727 5.868 -5.504 393 HB THR 55 HB THR 55 13.799 7.494 -7.073 394 HG1 THR 55 HG1 THR 55 14.595 9.440 -6.283 395 HG21 THR 55 3HG2 THR 55 12.194 6.184 -5.766 396 HG22 THR 55 1HG2 THR 55 11.563 7.797 -6.096 397 HG23 THR 55 2HG2 THR 55 12.208 7.413 -4.500 398 H THR 56 H THR 56 16.740 7.749 -3.862 399 HA THR 56 HA THR 56 18.428 8.502 -6.172 400 HB THR 56 HB THR 56 19.551 10.085 -4.616 401 HG1 THR 56 HG1 THR 56 19.013 10.164 -2.543 402 HG21 THR 56 3HG2 THR 56 17.687 10.865 -6.024 403 HG22 THR 56 1HG2 THR 56 17.726 11.711 -4.476 404 HG23 THR 56 2HG2 THR 56 16.544 10.431 -4.751 405 H LYS 57 H LYS 57 18.193 6.290 -3.625 406 HA LYS 57 HA LYS 57 21.051 5.601 -3.851 407 HB2 LYS 57 2HB LYS 57 20.581 6.808 -1.703 408 HB3 LYS 57 1HB LYS 57 19.462 5.524 -1.269 409 HG2 LYS 57 2HG LYS 57 21.566 5.173 -0.148 410 HG3 LYS 57 1HG LYS 57 21.332 3.904 -1.355 411 HD2 LYS 57 2HD LYS 57 22.805 5.118 -2.907 412 HD3 LYS 57 1HD LYS 57 23.039 6.381 -1.697 413 HE2 LYS 57 2HE LYS 57 23.801 3.479 -1.343 414 HE3 LYS 57 1HE LYS 57 24.913 4.772 -1.792 415 HZ1 LYS 57 3HZ LYS 57 23.377 4.592 0.744 416 HZ2 LYS 57 1HZ LYS 57 24.398 5.870 0.313 417 HZ3 LYS 57 2HZ LYS 57 25.037 4.326 0.559 418 H ALA 58 H ALA 58 21.441 3.463 -4.201 419 HA ALA 58 HA ALA 58 19.261 1.731 -4.818 420 HB1 ALA 58 3HB ALA 58 22.202 1.092 -4.589 421 HB2 ALA 58 1HB ALA 58 21.373 1.651 -6.041 422 HB3 ALA 58 2HB ALA 58 20.977 0.078 -5.350 423 H GLY 59 H GLY 59 18.466 -0.068 -3.760 424 HA2 GLY 59 2HA GLY 59 19.392 -1.659 -1.821 425 HA3 GLY 59 1HA GLY 59 19.008 -0.223 -0.888 426 H THR 60 H THR 60 17.777 -2.522 -0.201 427 HA THR 60 HA THR 60 15.107 -2.524 -1.402 428 HB THR 60 HB THR 60 16.293 -4.292 0.754 429 HG1 THR 60 HG1 THR 60 15.577 -4.888 -1.950 430 HG21 THR 60 3HG2 THR 60 14.284 -5.685 0.480 431 HG22 THR 60 1HG2 THR 60 13.599 -4.483 -0.613 432 HG23 THR 60 2HG2 THR 60 13.876 -4.079 1.084 433 H TYR 61 H TYR 61 13.367 -1.583 -0.516 434 HA TYR 61 HA TYR 61 13.472 -0.657 2.285 435 HB2 TYR 61 2HB TYR 61 12.216 0.876 -0.011 436 HB3 TYR 61 1HB TYR 61 12.393 1.417 1.655 437 HD1 TYR 61 HD1 TYR 61 14.586 2.139 2.504 438 HD2 TYR 61 HD2 TYR 61 14.089 0.957 -1.554 439 HE1 TYR 61 HE1 TYR 61 16.747 3.171 1.939 440 HE2 TYR 61 HE2 TYR 61 16.248 1.981 -2.125 441 HH TYR 61 HH TYR 61 17.802 3.566 -1.344 442 H VAL 62 H VAL 62 11.554 -0.871 3.459 443 HA VAL 62 HA VAL 62 9.510 -2.559 2.151 444 HB VAL 62 HB VAL 62 10.110 -2.305 5.112 445 HG11 VAL 62 1HG1 VAL 62 8.706 -4.306 5.335 446 HG12 VAL 62 2HG1 VAL 62 8.361 -4.260 3.607 447 HG13 VAL 62 3HG1 VAL 62 7.797 -2.956 4.654 448 HG21 VAL 62 3HG2 VAL 62 11.984 -3.335 3.921 449 HG22 VAL 62 1HG2 VAL 62 10.885 -4.487 3.162 450 HG23 VAL 62 2HG2 VAL 62 11.139 -4.528 4.908 451 H LEU 63 H LEU 63 7.363 -2.089 2.240 452 HA LEU 63 HA LEU 63 6.501 0.353 3.669 453 HB2 LEU 63 2HB LEU 63 5.609 -0.543 0.919 454 HB3 LEU 63 1HB LEU 63 4.992 0.851 1.787 455 HG LEU 63 HG LEU 63 7.843 0.534 0.818 456 HD11 LEU 63 1HD1 LEU 63 5.620 2.274 -0.255 457 HD12 LEU 63 2HD1 LEU 63 6.223 0.801 -1.016 458 HD13 LEU 63 3HD1 LEU 63 7.281 2.203 -0.849 459 HD21 LEU 63 3HD2 LEU 63 7.720 1.903 2.818 460 HD22 LEU 63 1HD2 LEU 63 6.423 2.867 2.110 461 HD23 LEU 63 2HD2 LEU 63 8.042 2.919 1.413 462 H THR 64 H THR 64 4.562 0.234 4.752 463 HA THR 64 HA THR 64 2.992 -2.265 4.494 464 HB THR 64 HB THR 64 3.447 -0.624 7.009 465 HG1 THR 64 HG1 THR 64 4.869 -2.122 7.546 466 HG21 THR 64 3HG2 THR 64 1.178 -1.535 6.975 467 HG22 THR 64 1HG2 THR 64 2.166 -2.390 8.159 468 HG23 THR 64 2HG2 THR 64 1.810 -3.140 6.602 469 H TYR 65 H TYR 65 0.788 -2.100 4.342 470 HA TYR 65 HA TYR 65 -0.406 0.603 4.398 471 HB2 TYR 65 2HB TYR 65 -1.115 -1.553 2.389 472 HB3 TYR 65 1HB TYR 65 -1.693 0.110 2.413 473 HD1 TYR 65 HD2 TYR 65 -0.250 1.941 1.648 474 HD2 TYR 65 HD1 TYR 65 1.106 -2.094 1.583 475 HE1 TYR 65 HE2 TYR 65 1.608 2.594 0.175 476 HE2 TYR 65 HE1 TYR 65 2.968 -1.453 0.114 477 HH TYR 65 HH TYR 65 3.864 1.762 -0.418 478 H THR 66 H THR 66 -2.184 0.743 5.672 479 HA THR 66 HA THR 66 -3.714 -1.722 6.253 480 HB THR 66 HB THR 66 -2.907 0.350 8.318 481 HG1 THR 66 HG1 THR 66 -1.855 -1.662 9.193 482 HG21 THR 66 3HG2 THR 66 -5.140 -0.620 8.748 483 HG22 THR 66 1HG2 THR 66 -3.957 -1.134 9.951 484 HG23 THR 66 2HG2 THR 66 -4.441 -2.237 8.664 485 H VAL 67 H VAL 67 -5.915 -1.498 6.236 486 HA VAL 67 HA VAL 67 -7.040 1.232 6.207 487 HB VAL 67 HB VAL 67 -6.950 0.467 3.891 488 HG11 VAL 67 1HG1 VAL 67 -8.226 -1.479 3.124 489 HG12 VAL 67 2HG1 VAL 67 -8.632 -1.872 4.794 490 HG13 VAL 67 3HG1 VAL 67 -6.954 -1.944 4.256 491 HG21 VAL 67 3HG2 VAL 67 -9.765 0.462 4.992 492 HG22 VAL 67 1HG2 VAL 67 -9.323 0.732 3.306 493 HG23 VAL 67 2HG2 VAL 67 -8.822 1.883 4.544 494 H THR 68 H THR 68 -8.926 1.530 7.298 495 HA THR 68 HA THR 68 -9.912 -0.772 8.862 496 HB THR 68 HB THR 68 -10.277 2.172 9.495 497 HG1 THR 68 HG1 THR 68 -8.479 0.410 10.826 498 HG21 THR 68 3HG2 THR 68 -10.678 -0.310 11.184 499 HG22 THR 68 1HG2 THR 68 -11.956 0.714 10.530 500 HG23 THR 68 2HG2 THR 68 -10.850 1.353 11.747 501 H ASP 69 H ASP 69 -11.916 -1.517 8.527 502 HA ASP 69 HA ASP 69 -13.775 -0.189 6.756 503 HB2 ASP 69 2HB ASP 69 -13.790 -2.479 6.440 504 HB3 ASP 69 1HB ASP 69 -13.615 -2.831 8.152 505 H SER 70 H SER 70 -15.930 0.400 7.295 506 HA SER 70 HA SER 70 -16.135 2.083 9.522 507 HB2 SER 70 2HB SER 70 -18.366 0.950 7.810 508 HB3 SER 70 1HB SER 70 -18.517 2.335 8.893 509 HG SER 70 HG SER 70 -17.973 2.574 6.462 510 H LYS 71 H LYS 71 -17.192 -1.261 9.131 511 HA LYS 71 HA LYS 71 -18.677 -1.221 11.630 512 HB2 LYS 71 2HB LYS 71 -18.096 -3.440 9.666 513 HB3 LYS 71 1HB LYS 71 -19.042 -3.657 11.132 514 HG2 LYS 71 2HG LYS 71 -19.748 -1.722 8.931 515 HG3 LYS 71 1HG LYS 71 -20.404 -3.353 9.080 516 HD2 LYS 71 2HD LYS 71 -21.296 -2.743 11.319 517 HD3 LYS 71 1HD LYS 71 -20.716 -1.094 11.071 518 HE2 LYS 71 2HE LYS 71 -22.179 -0.849 9.139 519 HE3 LYS 71 1HE LYS 71 -22.712 -2.520 9.305 520 HZ1 LYS 71 3HZ LYS 71 -23.628 -1.932 11.491 521 HZ2 LYS 71 1HZ LYS 71 -24.344 -1.049 10.238 522 HZ3 LYS 71 2HZ LYS 71 -23.194 -0.318 11.240 523 H GLY 72 H GLY 72 -15.417 -1.652 10.827 524 HA2 GLY 72 2HA GLY 72 -13.925 -1.672 12.766 525 HA3 GLY 72 1HA GLY 72 -14.967 -2.880 13.490 526 H HIS 73 H HIS 73 -14.400 -3.512 10.169 527 HA HIS 73 HA HIS 73 -12.427 -5.568 10.824 528 HB2 HIS 73 2HB HIS 73 -14.094 -4.961 8.408 529 HB3 HIS 73 1HB HIS 73 -12.648 -5.944 8.222 530 HD1 HIS 73 HD1 HIS 73 -16.139 -6.277 8.799 531 HD2 HIS 73 HD2 HIS 73 -12.759 -8.249 10.187 532 HE1 HIS 73 HE1 HIS 73 -16.936 -8.541 9.514 533 HE2 HIS 73 HE2 HIS 73 -14.905 -9.653 10.515 534 H GLU 74 H GLU 74 -10.355 -4.921 10.972 535 HA GLU 74 HA GLU 74 -9.368 -2.860 9.103 536 HB2 GLU 74 2HB GLU 74 -9.248 -2.329 11.529 537 HB3 GLU 74 1HB GLU 74 -8.202 -3.724 11.762 538 HG2 GLU 74 2HG GLU 74 -6.512 -2.717 10.329 539 HG3 GLU 74 1HG GLU 74 -7.570 -1.339 10.028 540 H VAL 75 H VAL 75 -8.226 -3.647 7.432 541 HA VAL 75 HA VAL 75 -6.697 -6.157 7.804 542 HB VAL 75 HB VAL 75 -6.963 -6.623 5.448 543 HG11 VAL 75 1HG1 VAL 75 -9.615 -5.857 6.683 544 HG12 VAL 75 2HG1 VAL 75 -8.756 -7.378 6.927 545 HG13 VAL 75 3HG1 VAL 75 -9.389 -6.970 5.333 546 HG21 VAL 75 3HG2 VAL 75 -8.479 -4.013 5.268 547 HG22 VAL 75 1HG2 VAL 75 -8.303 -5.194 3.969 548 HG23 VAL 75 2HG2 VAL 75 -6.887 -4.339 4.582 549 H THR 76 H THR 76 -4.685 -6.371 6.501 550 HA THR 76 HA THR 76 -3.428 -3.846 5.713 551 HB THR 76 HB THR 76 -2.935 -3.961 8.101 552 HG1 THR 76 HG1 THR 76 -1.247 -3.044 7.096 553 HG21 THR 76 3HG2 THR 76 -1.559 -5.766 9.038 554 HG22 THR 76 1HG2 THR 76 -1.620 -6.616 7.494 555 HG23 THR 76 2HG2 THR 76 -3.096 -6.383 8.431 556 H ALA 77 H ALA 77 -1.531 -4.050 4.478 557 HA ALA 77 HA ALA 77 -0.550 -6.696 3.741 558 HB1 ALA 77 3HB ALA 77 -1.671 -4.793 1.674 559 HB2 ALA 77 1HB ALA 77 -2.397 -6.322 2.172 560 HB3 ALA 77 2HB ALA 77 -0.842 -6.315 1.339 561 H LYS 78 H LYS 78 1.463 -6.500 2.332 562 HA LYS 78 HA LYS 78 2.845 -3.938 2.847 563 HB2 LYS 78 2HB LYS 78 3.920 -6.702 3.439 564 HB3 LYS 78 1HB LYS 78 4.879 -5.227 3.498 565 HG2 LYS 78 2HG LYS 78 3.390 -4.352 5.259 566 HG3 LYS 78 1HG LYS 78 2.485 -5.868 5.219 567 HD2 LYS 78 2HD LYS 78 4.479 -7.097 5.900 568 HD3 LYS 78 1HD LYS 78 5.421 -5.603 5.891 569 HE2 LYS 78 2HE LYS 78 3.973 -4.693 7.662 570 HE3 LYS 78 1HE LYS 78 3.052 -6.197 7.674 571 HZ1 LYS 78 3HZ LYS 78 4.669 -6.147 9.450 572 HZ2 LYS 78 1HZ LYS 78 5.927 -5.921 8.345 573 HZ3 LYS 78 2HZ LYS 78 5.053 -7.370 8.348 574 H GLN 79 H GLN 79 4.790 -3.577 1.616 575 HA GLN 79 HA GLN 79 5.034 -5.113 -0.886 576 HB2 GLN 79 2HB GLN 79 3.735 -3.164 -1.485 577 HB3 GLN 79 1HB GLN 79 4.842 -2.100 -0.622 578 HG2 GLN 79 2HG GLN 79 6.610 -2.632 -2.234 579 HG3 GLN 79 1HG GLN 79 5.504 -3.702 -3.093 580 HE21 GLN 79 1HE2 GLN 79 4.506 -0.632 -1.722 581 HE22 GLN 79 2HE2 GLN 79 4.249 0.157 -3.231 582 H THR 80 H THR 80 7.086 -5.694 -1.289 583 HA THR 80 HA THR 80 9.294 -4.355 0.127 584 HB THR 80 HB THR 80 9.245 -6.988 -1.381 585 HG1 THR 80 HG1 THR 80 9.203 -7.910 0.592 586 HG21 THR 80 3HG2 THR 80 11.511 -5.674 0.133 587 HG22 THR 80 1HG2 THR 80 11.447 -5.965 -1.607 588 HG23 THR 80 2HG2 THR 80 11.523 -7.325 -0.487 589 H VAL 81 H VAL 81 10.074 -2.649 -0.979 590 HA VAL 81 HA VAL 81 10.257 -2.752 -3.908 591 HB VAL 81 HB VAL 81 10.775 -0.417 -2.047 592 HG11 VAL 81 1HG1 VAL 81 10.396 -0.474 -5.046 593 HG12 VAL 81 2HG1 VAL 81 11.923 -0.209 -4.204 594 HG13 VAL 81 3HG1 VAL 81 10.619 0.969 -4.055 595 HG21 VAL 81 3HG2 VAL 81 8.570 0.413 -2.758 596 HG22 VAL 81 1HG2 VAL 81 8.446 -1.125 -1.902 597 HG23 VAL 81 2HG2 VAL 81 8.305 -1.080 -3.660 598 H THR 82 H THR 82 12.202 -2.671 -5.024 599 HA THR 82 HA THR 82 14.689 -2.438 -3.442 600 HB THR 82 HB THR 82 14.231 -4.455 -5.664 601 HG1 THR 82 HG1 THR 82 13.307 -5.187 -3.755 602 HG21 THR 82 3HG2 THR 82 16.528 -3.577 -5.669 603 HG22 THR 82 1HG2 THR 82 16.490 -5.256 -5.125 604 HG23 THR 82 2HG2 THR 82 16.677 -3.953 -3.952 605 H VAL 83 H VAL 83 15.935 -0.839 -4.177 606 HA VAL 83 HA VAL 83 15.445 0.250 -6.866 607 HB VAL 83 HB VAL 83 16.945 1.521 -4.561 608 HG11 VAL 83 1HG1 VAL 83 17.569 2.432 -6.733 609 HG12 VAL 83 2HG1 VAL 83 16.634 3.611 -5.814 610 HG13 VAL 83 3HG1 VAL 83 15.872 2.709 -7.125 611 HG21 VAL 83 3HG2 VAL 83 14.610 1.125 -3.954 612 HG22 VAL 83 1HG2 VAL 83 14.077 1.938 -5.427 613 HG23 VAL 83 2HG2 VAL 83 14.921 2.847 -4.172 614 H LYS 84 H LYS 84 16.974 0.219 -8.431 615 HA LYS 84 HA LYS 84 19.746 -0.563 -7.724 616 HB2 LYS 84 2HB LYS 84 18.237 -1.183 -10.276 617 HB3 LYS 84 1HB LYS 84 19.914 -1.599 -9.960 618 HG2 LYS 84 2HG LYS 84 19.208 -3.078 -8.140 619 HG3 LYS 84 1HG LYS 84 17.522 -2.662 -8.462 620 HD2 LYS 84 2HD LYS 84 17.753 -3.568 -10.747 621 HD3 LYS 84 1HD LYS 84 19.421 -4.018 -10.390 622 HE2 LYS 84 2HE LYS 84 18.652 -5.544 -8.649 623 HE3 LYS 84 1HE LYS 84 16.981 -5.060 -8.940 624 HZ1 LYS 84 3HZ LYS 84 17.222 -5.909 -11.225 625 HZ2 LYS 84 1HZ LYS 84 17.414 -7.115 -10.054 626 HZ3 LYS 84 2HZ LYS 84 18.768 -6.477 -10.842 627 H VAL 85 H VAL 85 21.459 0.452 -8.859 628 HA VAL 85 HA VAL 85 20.858 3.090 -9.941 629 HB VAL 85 HB VAL 85 23.569 1.746 -9.717 630 HG11 VAL 85 1HG1 VAL 85 22.806 4.669 -9.853 631 HG12 VAL 85 2HG1 VAL 85 23.534 3.727 -11.155 632 HG13 VAL 85 3HG1 VAL 85 24.443 4.034 -9.674 633 HG21 VAL 85 3HG2 VAL 85 23.829 2.907 -7.569 634 HG22 VAL 85 1HG2 VAL 85 22.509 1.738 -7.527 635 HG23 VAL 85 2HG2 VAL 85 22.157 3.461 -7.669 636 H ARG 86 H ARG 86 21.801 3.806 -12.049 637 HA ARG 86 HA ARG 86 21.235 2.096 -14.208 638 HB2 ARG 86 2HB ARG 86 22.799 4.666 -14.029 639 HB3 ARG 86 1HB ARG 86 22.656 3.793 -15.547 640 HG2 ARG 86 2HG ARG 86 20.996 5.433 -15.631 641 HG3 ARG 86 1HG ARG 86 20.139 3.946 -15.233 642 HD2 ARG 86 2HD ARG 86 20.027 4.601 -12.896 643 HD3 ARG 86 1HD ARG 86 20.983 6.046 -13.230 644 HE ARG 86 HE ARG 86 18.289 5.575 -14.332 645 HH11 ARG 86 1HH1 ARG 86 20.674 7.689 -13.016 646 HH12 ARG 86 2HH1 ARG 86 19.663 9.080 -13.161 647 HH21 ARG 86 1HH2 ARG 86 17.026 7.352 -14.518 648 HH22 ARG 86 2HH2 ARG 86 17.615 8.894 -14.004 649 H GLU 87 H GLU 87 22.759 1.350 -15.887 650 HA GLU 87 HA GLU 87 24.822 -0.252 -14.797 651 HB2 GLU 87 2HB GLU 87 24.131 0.446 -17.653 652 HB3 GLU 87 1HB GLU 87 25.378 -0.711 -17.215 653 HG2 GLU 87 2HG GLU 87 22.464 -0.939 -16.484 654 HG3 GLU 87 1HG GLU 87 23.252 -1.781 -17.817 655 H GLU 88 H GLU 88 26.285 1.144 -13.726 656 HA GLU 88 HA GLU 88 27.762 3.156 -15.115 657 HB2 GLU 88 2HB GLU 88 28.416 1.672 -12.554 658 HB3 GLU 88 1HB GLU 88 29.300 3.068 -13.159 659 HG2 GLU 88 2HG GLU 88 27.181 4.381 -13.018 660 HG3 GLU 88 1HG GLU 88 26.432 2.991 -12.231 661 H VAL 89 H VAL 89 28.814 2.507 -16.915 662 HA VAL 89 HA VAL 89 30.132 0.002 -17.208 663 HB VAL 89 HB VAL 89 30.465 2.538 -18.836 664 HG11 VAL 89 1HG1 VAL 89 32.341 1.004 -19.164 665 HG12 VAL 89 2HG1 VAL 89 31.323 1.065 -20.603 666 HG13 VAL 89 3HG1 VAL 89 31.219 -0.313 -19.507 667 HG21 VAL 89 3HG2 VAL 89 28.151 1.755 -18.813 668 HG22 VAL 89 1HG2 VAL 89 28.679 0.138 -19.285 669 HG23 VAL 89 2HG2 VAL 89 28.878 1.492 -20.399 670 H LYS 90 H LYS 90 32.122 -0.609 -16.597 671 HA LYS 90 HA LYS 90 33.776 1.119 -15.071 672 HB2 LYS 90 2HB LYS 90 35.388 -0.777 -15.057 673 HB3 LYS 90 1HB LYS 90 33.767 -1.226 -14.553 674 HG2 LYS 90 2HG LYS 90 33.338 -2.309 -16.647 675 HG3 LYS 90 1HG LYS 90 34.840 -1.684 -17.334 676 HD2 LYS 90 2HD LYS 90 36.088 -2.972 -15.589 677 HD3 LYS 90 1HD LYS 90 34.554 -3.695 -15.099 678 HE2 LYS 90 2HE LYS 90 34.279 -4.713 -17.263 679 HE3 LYS 90 1HE LYS 90 35.692 -3.863 -17.891 680 HZ1 LYS 90 3HZ LYS 90 35.660 -5.989 -15.822 681 HZ2 LYS 90 1HZ LYS 90 37.031 -5.084 -16.225 682 HZ3 LYS 90 2HZ LYS 90 36.310 -6.085 -17.379 683 H ASN 91 H ASN 91 34.446 2.871 -16.243 684 HA ASN 91 HA ASN 91 35.844 2.630 -18.746 685 HB2 ASN 91 2HB ASN 91 36.389 5.087 -18.287 686 HB3 ASN 91 1HB ASN 91 34.686 4.665 -18.432 687 HD21 ASN 91 1HD2 ASN 91 34.139 6.532 -17.276 688 HD22 ASN 91 2HD2 ASN 91 34.309 6.609 -15.559 689 H ASP 92 H ASP 92 37.999 4.472 -18.252 690 HA ASP 92 HA ASP 92 40.085 2.730 -17.742 691 HB2 ASP 92 2HB ASP 92 39.997 5.743 -17.554 692 HB3 ASP 92 1HB ASP 92 41.486 4.801 -17.488 693 H LYS 93 H LYS 93 39.759 1.564 -15.844 694 HA LYS 93 HA LYS 93 40.095 1.000 -13.678 695 HB2 LYS 93 2HB LYS 93 42.342 1.784 -14.280 696 HB3 LYS 93 1HB LYS 93 41.924 3.404 -13.742 697 HG2 LYS 93 2HG LYS 93 41.632 2.558 -11.450 698 HG3 LYS 93 1HG LYS 93 42.075 0.941 -12.003 699 HD2 LYS 93 2HD LYS 93 43.828 3.402 -12.104 700 HD3 LYS 93 1HD LYS 93 43.986 2.060 -10.967 701 HE2 LYS 93 2HE LYS 93 44.543 0.541 -12.752 702 HE3 LYS 93 1HE LYS 93 44.202 1.772 -13.967 703 HZ1 LYS 93 3HZ LYS 93 46.566 1.546 -13.601 704 HZ2 LYS 93 1HZ LYS 93 46.377 1.880 -11.956 705 HZ3 LYS 93 2HZ LYS 93 46.046 3.075 -13.104 706 HA PRO 94 HA PRO 94 37.120 3.970 -11.707 707 HB2 PRO 94 2HB PRO 94 35.870 1.432 -10.848 708 HB3 PRO 94 1HB PRO 94 35.141 2.827 -11.651 709 HG2 PRO 94 2HG PRO 94 35.524 0.500 -12.944 710 HG3 PRO 94 1HG PRO 94 35.684 2.065 -13.766 711 HD2 PRO 94 2HD PRO 94 37.836 0.250 -12.714 712 HD3 PRO 94 1HD PRO 94 37.767 1.137 -14.254 713 H ILE 95 H ILE 95 38.211 4.716 -9.956 714 HA ILE 95 HA ILE 95 39.641 2.979 -8.166 715 HB ILE 95 HB ILE 95 39.097 5.953 -7.996 716 HG12 ILE 95 2HG1 ILE 95 41.524 4.397 -8.950 717 HG13 ILE 95 1HG1 ILE 95 40.415 5.314 -9.965 718 HG21 ILE 95 1HG2 ILE 95 39.580 5.027 -5.782 719 HG22 ILE 95 2HG2 ILE 95 40.912 6.033 -6.350 720 HG23 ILE 95 3HG2 ILE 95 41.050 4.275 -6.407 721 HD11 ILE 95 3HD1 ILE 95 41.115 7.375 -8.837 722 HD12 ILE 95 1HD1 ILE 95 42.461 6.541 -9.615 723 HD13 ILE 95 2HD1 ILE 95 42.256 6.442 -7.867 724 H LEU 96 H LEU 96 39.048 2.203 -6.219 725 HA LEU 96 HA LEU 96 36.720 3.297 -4.827 726 HB2 LEU 96 2HB LEU 96 35.882 0.915 -4.462 727 HB3 LEU 96 1HB LEU 96 35.616 1.632 -6.037 728 HG LEU 96 HG LEU 96 37.658 0.364 -6.852 729 HD11 LEU 96 1HD1 LEU 96 38.676 -0.116 -4.676 730 HD12 LEU 96 2HD1 LEU 96 38.375 -1.589 -5.595 731 HD13 LEU 96 3HD1 LEU 96 37.307 -1.148 -4.262 732 HD21 LEU 96 3HD2 LEU 96 35.297 -1.233 -5.863 733 HD22 LEU 96 1HD2 LEU 96 36.434 -1.739 -7.113 734 HD23 LEU 96 2HD2 LEU 96 35.395 -0.342 -7.381 735 H GLU 97 H GLU 97 36.411 2.125 -2.656 736 HA GLU 97 HA GLU 97 39.025 1.991 -1.333 737 HB2 GLU 97 2HB GLU 97 36.225 2.248 -0.205 738 HB3 GLU 97 1HB GLU 97 37.693 2.222 0.764 739 HG2 GLU 97 2HG GLU 97 38.455 4.277 -0.288 740 HG3 GLU 97 1HG GLU 97 37.032 4.295 -1.327
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