NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
519850 | 2ldo | 16842 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 6.468 12.665 2.569 2 HA ALA 1 HA ALA 1 6.919 12.836 4.906 3 HB1 ALA 1 HB1 ALA 1 4.098 13.960 4.905 4 HB2 ALA 1 HB2 ALA 1 4.911 13.407 6.389 5 HB3 ALA 1 HB3 ALA 1 5.599 14.750 5.445 6 H ASP 2 H ASP 2 3.427 12.053 4.892 7 HA ASP 2 HA ASP 2 4.219 9.246 4.893 8 HB2 ASP 2 HB2 ASP 2 1.638 9.835 6.182 9 HB3 ASP 2 HB3 ASP 2 2.976 8.870 6.772 10 HD2 ASP 2 HD2 ASP 2 2.431 12.690 7.600 11 H ASP 3 H ASP 3 1.751 11.767 4.130 12 HA ASP 3 HA ASP 3 -0.046 10.042 2.886 13 HB2 ASP 3 HB2 ASP 3 0.162 12.853 1.883 14 HB3 ASP 3 HB3 ASP 3 -1.252 11.970 2.424 15 HD2 ASP 3 HD2 ASP 3 -0.732 12.878 5.795 16 H ILE 4 H ILE 4 0.254 8.980 0.922 17 HA ILE 4 HA ILE 4 1.862 10.350 -1.107 18 HB ILE 4 HB ILE 4 2.121 7.469 -0.245 19 HG12 ILE 4 HG12 ILE 4 4.030 9.819 -0.132 20 HG13 ILE 4 HG13 ILE 4 3.313 8.975 1.226 21 HG21 ILE 4 HG21 ILE 4 3.756 7.215 -2.029 22 HG22 ILE 4 HG22 ILE 4 2.168 7.667 -2.694 23 HG23 ILE 4 HG23 ILE 4 3.459 8.886 -2.566 24 HD11 ILE 4 HD11 ILE 4 4.456 6.856 0.470 25 HD12 ILE 4 HD12 ILE 4 5.261 7.798 -0.808 26 HD13 ILE 4 HD13 ILE 4 5.593 8.155 0.904 27 H VAL 5 H VAL 5 0.871 10.454 -3.065 28 HA VAL 5 HA VAL 5 -1.619 8.938 -3.311 29 HB VAL 5 HB VAL 5 -0.575 11.390 -4.740 30 HG11 VAL 5 HG11 VAL 5 -3.428 10.766 -5.012 31 HG12 VAL 5 HG12 VAL 5 -2.238 11.254 -6.242 32 HG13 VAL 5 HG13 VAL 5 -2.366 9.547 -5.756 33 HG21 VAL 5 HG21 VAL 5 -1.219 12.271 -2.734 34 HG22 VAL 5 HG22 VAL 5 -2.810 12.234 -3.531 35 HG23 VAL 5 HG23 VAL 5 -2.357 10.947 -2.389 36 H LEU 6 H LEU 6 -1.664 7.164 -4.585 37 HA LEU 6 HA LEU 6 0.586 6.792 -6.407 38 HB2 LEU 6 HB2 LEU 6 -1.453 4.854 -5.306 39 HB3 LEU 6 HB3 LEU 6 -0.185 4.435 -6.440 40 HG LEU 6 HG LEU 6 0.438 5.654 -3.749 41 HD11 LEU 6 HD11 LEU 6 0.510 3.582 -2.695 42 HD12 LEU 6 HD12 LEU 6 -0.989 3.503 -3.652 43 HD13 LEU 6 HD13 LEU 6 0.481 2.684 -4.231 44 HD21 LEU 6 HD21 LEU 6 1.993 4.372 -5.949 45 HD22 LEU 6 HD22 LEU 6 2.393 5.765 -4.915 46 HD23 LEU 6 HD23 LEU 6 2.534 4.110 -4.274 47 H LYS 7 H LYS 7 0.152 7.867 -8.298 48 HA LYS 7 HA LYS 7 -2.343 8.328 -9.353 49 HB2 LYS 7 HB2 LYS 7 -1.176 8.821 -11.433 50 HB3 LYS 7 HB3 LYS 7 -0.309 9.483 -10.062 51 HG2 LYS 7 HG2 LYS 7 0.526 6.720 -10.719 52 HG3 LYS 7 HG3 LYS 7 0.782 7.839 -12.043 53 HD2 LYS 7 HD2 LYS 7 2.642 8.605 -11.002 54 HD3 LYS 7 HD3 LYS 7 1.637 9.226 -9.707 55 HE2 LYS 7 HE2 LYS 7 2.066 7.419 -8.306 56 HE3 LYS 7 HE3 LYS 7 2.211 6.281 -9.631 57 HZ1 LYS 7 HZ1 LYS 7 4.380 7.351 -10.169 58 HZ2 LYS 7 HZ2 LYS 7 4.251 8.294 -8.848 59 H ALA 8 H ALA 8 -3.775 7.223 -10.669 60 HA ALA 8 HA ALA 8 -2.962 4.666 -11.752 61 HB1 ALA 8 HB1 ALA 8 -4.972 5.005 -9.512 62 HB2 ALA 8 HB2 ALA 8 -5.072 3.640 -10.650 63 HB3 ALA 8 HB3 ALA 8 -3.624 3.850 -9.637 64 H LYS 9 H LYS 9 -4.156 4.127 -13.595 65 HA LYS 9 HA LYS 9 -5.736 6.276 -14.652 66 HB2 LYS 9 HB2 LYS 9 -5.706 4.996 -16.705 67 HB3 LYS 9 HB3 LYS 9 -4.092 5.069 -16.027 68 HG2 LYS 9 HG2 LYS 9 -4.232 2.793 -16.526 69 HG3 LYS 9 HG3 LYS 9 -4.774 2.781 -14.860 70 HD2 LYS 9 HD2 LYS 9 -7.083 2.603 -15.488 71 HD3 LYS 9 HD3 LYS 9 -6.761 3.087 -17.141 72 HE2 LYS 9 HE2 LYS 9 -5.190 0.713 -16.425 73 HE3 LYS 9 HE3 LYS 9 -6.897 0.438 -16.142 74 HZ1 LYS 9 HZ1 LYS 9 -6.139 -0.044 -18.465 75 HZ2 LYS 9 HZ2 LYS 9 -7.373 1.016 -18.409 76 H ASN 10 H ASN 10 -6.434 4.071 -12.351 77 HA ASN 10 HA ASN 10 -9.164 3.832 -13.337 78 HB2 ASN 10 HB2 ASN 10 -7.481 1.670 -12.967 79 HB3 ASN 10 HB3 ASN 10 -8.206 1.777 -11.375 80 HD21 ASN 10 HD21 ASN 10 -9.798 0.414 -11.175 81 HD22 ASN 10 HD22 ASN 10 -11.030 0.050 -12.337 82 H GLY 11 H GLY 11 -7.738 5.862 -11.609 83 HA2 GLY 11 HA2 GLY 11 -8.837 7.064 -9.891 84 HA3 GLY 11 HA3 GLY 11 -9.399 5.557 -9.195 85 H ASP 12 H ASP 12 -7.194 8.040 -8.800 86 HA ASP 12 HA ASP 12 -4.837 6.818 -8.194 87 HB2 ASP 12 HB2 ASP 12 -4.345 8.796 -6.851 88 HB3 ASP 12 HB3 ASP 12 -5.250 9.290 -8.268 89 HD2 ASP 12 HD2 ASP 12 -6.653 9.996 -4.652 90 H VAL 13 H VAL 13 -3.901 6.307 -5.981 91 HA VAL 13 HA VAL 13 -5.999 5.416 -4.125 92 HB VAL 13 HB VAL 13 -3.337 4.122 -4.749 93 HG11 VAL 13 HG11 VAL 13 -4.802 2.260 -3.386 94 HG12 VAL 13 HG12 VAL 13 -3.580 3.326 -2.651 95 HG13 VAL 13 HG13 VAL 13 -5.305 3.762 -2.574 96 HG21 VAL 13 HG21 VAL 13 -4.971 2.230 -5.496 97 HG22 VAL 13 HG22 VAL 13 -6.155 3.551 -5.645 98 HG23 VAL 13 HG23 VAL 13 -4.650 3.594 -6.595 99 H LYS 14 H LYS 14 -5.914 6.302 -2.121 100 HA LYS 14 HA LYS 14 -3.624 7.990 -1.538 101 HB2 LYS 14 HB2 LYS 14 -6.054 8.740 -1.348 102 HB3 LYS 14 HB3 LYS 14 -6.179 7.700 0.057 103 HG2 LYS 14 HG2 LYS 14 -4.081 9.899 -0.256 104 HG3 LYS 14 HG3 LYS 14 -5.596 10.108 0.599 105 HD2 LYS 14 HD2 LYS 14 -4.588 7.764 1.735 106 HD3 LYS 14 HD3 LYS 14 -3.133 8.699 1.452 107 HE2 LYS 14 HE2 LYS 14 -3.953 9.276 3.664 108 HE3 LYS 14 HE3 LYS 14 -4.218 10.664 2.627 109 HZ1 LYS 14 HZ1 LYS 14 -6.179 9.989 4.025 110 HZ2 LYS 14 HZ2 LYS 14 -6.522 10.103 2.438 111 H PHE 15 H PHE 15 -1.897 7.038 -0.602 112 HA PHE 15 HA PHE 15 -2.465 4.898 1.323 113 HB2 PHE 15 HB2 PHE 15 -1.108 4.284 -0.694 114 HB3 PHE 15 HB3 PHE 15 -0.037 5.643 -0.414 115 HD1 PHE 15 HD1 PHE 15 -1.309 2.685 1.492 116 HD2 PHE 15 HD2 PHE 15 2.004 5.151 0.517 117 HE1 PHE 15 HE1 PHE 15 0.188 1.221 2.876 118 HE2 PHE 15 HE2 PHE 15 3.501 3.687 1.901 119 HZ PHE 15 HZ PHE 15 2.575 1.739 3.064 120 HA PRO 16 HA PRO 16 -0.820 7.794 4.272 121 HB2 PRO 16 HB2 PRO 16 -1.689 6.480 6.492 122 HB3 PRO 16 HB3 PRO 16 -2.828 7.297 5.373 123 HG2 PRO 16 HG2 PRO 16 -2.448 4.165 5.524 124 HG3 PRO 16 HG3 PRO 16 -3.627 5.498 5.302 125 HD2 PRO 16 HD2 PRO 16 -1.999 4.043 3.295 126 HD3 PRO 16 HD3 PRO 16 -3.335 5.203 3.025 127 H HIS 17 H HIS 17 1.477 7.490 3.931 128 HA HIS 17 HA HIS 17 2.646 5.030 4.812 129 HB2 HIS 17 HB2 HIS 17 3.468 6.266 2.838 130 HB3 HIS 17 HB3 HIS 17 3.918 7.613 3.864 131 HD1 HIS 17 HD1 HIS 17 5.845 7.058 5.725 132 HD2 HIS 17 HD2 HIS 17 5.388 4.304 2.594 133 HE1 HIS 17 HE1 HIS 17 7.977 5.658 5.688 134 H LYS 18 H LYS 18 1.258 5.879 6.965 135 HA LYS 18 HA LYS 18 3.407 6.686 8.760 136 HB2 LYS 18 HB2 LYS 18 2.525 8.787 8.678 137 HB3 LYS 18 HB3 LYS 18 0.933 8.236 8.198 138 HG2 LYS 18 HG2 LYS 18 0.469 7.438 10.491 139 HG3 LYS 18 HG3 LYS 18 2.098 7.844 10.994 140 HD2 LYS 18 HD2 LYS 18 1.170 10.240 9.868 141 HD3 LYS 18 HD3 LYS 18 -0.255 9.601 10.663 142 HE2 LYS 18 HE2 LYS 18 1.064 9.324 12.783 143 HE3 LYS 18 HE3 LYS 18 2.475 9.989 11.984 144 HZ1 LYS 18 HZ1 LYS 18 0.872 11.967 11.491 145 HZ2 LYS 18 HZ2 LYS 18 -0.007 11.382 12.731 146 H ALA 19 H ALA 19 -0.169 6.024 8.860 147 HA ALA 19 HA ALA 19 -0.108 4.653 11.252 148 HB1 ALA 19 HB1 ALA 19 -1.984 5.388 9.293 149 HB2 ALA 19 HB2 ALA 19 -2.104 3.615 9.395 150 HB3 ALA 19 HB3 ALA 19 -2.323 4.608 10.857 151 H HIS 20 H HIS 20 0.948 3.697 8.038 152 HA HIS 20 HA HIS 20 0.791 0.900 8.577 153 HB2 HIS 20 HB2 HIS 20 1.927 2.598 6.366 154 HB3 HIS 20 HB3 HIS 20 2.302 0.888 6.450 155 HD1 HIS 20 HD1 HIS 20 -0.551 3.275 5.821 156 HD2 HIS 20 HD2 HIS 20 0.178 -0.856 5.805 157 HE1 HIS 20 HE1 HIS 20 -2.576 2.196 4.705 158 H GLN 21 H GLN 21 2.625 3.286 9.941 159 HA GLN 21 HA GLN 21 5.085 1.769 9.893 160 HB2 GLN 21 HB2 GLN 21 4.391 4.497 11.065 161 HB3 GLN 21 HB3 GLN 21 5.977 3.761 11.189 162 HG2 GLN 21 HG2 GLN 21 6.336 3.846 8.822 163 HG3 GLN 21 HG3 GLN 21 4.635 4.097 8.483 164 HE21 GLN 21 HE21 GLN 21 6.782 5.677 7.544 165 HE22 GLN 21 HE22 GLN 21 6.611 7.289 8.156 166 H LYS 22 H LYS 22 2.756 3.193 12.295 167 HA LYS 22 HA LYS 22 3.937 1.872 14.490 168 HB2 LYS 22 HB2 LYS 22 1.296 3.275 14.058 169 HB3 LYS 22 HB3 LYS 22 1.710 2.523 15.585 170 HG2 LYS 22 HG2 LYS 22 3.828 4.283 14.422 171 HG3 LYS 22 HG3 LYS 22 2.363 5.109 14.916 172 HD2 LYS 22 HD2 LYS 22 2.935 3.278 17.018 173 HD3 LYS 22 HD3 LYS 22 4.483 3.972 16.577 174 HE2 LYS 22 HE2 LYS 22 3.922 6.058 17.362 175 HE3 LYS 22 HE3 LYS 22 2.292 5.973 16.724 176 HZ1 LYS 22 HZ1 LYS 22 1.524 5.194 18.691 177 HZ2 LYS 22 HZ2 LYS 22 2.754 4.149 18.912 178 H ALA 23 H ALA 23 1.649 0.936 11.980 179 HA ALA 23 HA ALA 23 0.666 -1.316 13.486 180 HB1 ALA 23 HB1 ALA 23 0.211 -0.087 10.778 181 HB2 ALA 23 HB2 ALA 23 -0.265 -1.781 11.045 182 HB3 ALA 23 HB3 ALA 23 -0.962 -0.492 12.054 183 H VAL 24 H VAL 24 3.266 -0.524 11.223 184 HA VAL 24 HA VAL 24 4.205 -3.271 11.494 185 HB VAL 24 HB VAL 24 3.968 -1.796 8.863 186 HG11 VAL 24 HG11 VAL 24 4.587 -4.421 8.295 187 HG12 VAL 24 HG12 VAL 24 5.737 -3.062 8.295 188 HG13 VAL 24 HG13 VAL 24 5.579 -4.095 9.737 189 HG21 VAL 24 HG21 VAL 24 2.377 -4.029 10.114 190 HG22 VAL 24 HG22 VAL 24 1.807 -2.565 9.276 191 HG23 VAL 24 HG23 VAL 24 2.527 -3.900 8.345 192 HA PRO 25 HA PRO 25 7.040 0.297 12.730 193 HB2 PRO 25 HB2 PRO 25 7.790 -2.163 14.375 194 HB3 PRO 25 HB3 PRO 25 7.842 -0.421 14.802 195 HG2 PRO 25 HG2 PRO 25 5.467 -1.819 15.635 196 HG3 PRO 25 HG3 PRO 25 5.814 -0.238 14.860 197 HD2 PRO 25 HD2 PRO 25 4.914 -2.881 13.564 198 HD3 PRO 25 HD3 PRO 25 4.121 -1.280 13.461 199 H ASP 26 H ASP 26 7.353 -3.085 11.574 200 HA ASP 26 HA ASP 26 10.134 -2.819 11.124 201 HB2 ASP 26 HB2 ASP 26 9.077 -5.022 11.496 202 HB3 ASP 26 HB3 ASP 26 8.058 -4.804 10.087 203 HD2 ASP 26 HD2 ASP 26 10.335 -6.990 10.384 204 H CYS 27 H CYS 27 10.965 -1.582 9.435 205 HA CYS 27 HA CYS 27 9.207 -0.856 7.272 206 HB2 CYS 27 HB2 CYS 27 12.091 -0.058 7.418 207 HB3 CYS 27 HB3 CYS 27 10.727 0.808 6.739 208 H LYS 28 H LYS 28 11.551 -3.279 8.089 209 HA LYS 28 HA LYS 28 12.539 -3.696 5.442 210 HB2 LYS 28 HB2 LYS 28 12.693 -5.404 7.943 211 HB3 LYS 28 HB3 LYS 28 13.553 -5.725 6.451 212 HG2 LYS 28 HG2 LYS 28 14.122 -3.013 7.000 213 HG3 LYS 28 HG3 LYS 28 14.170 -3.785 8.573 214 HD2 LYS 28 HD2 LYS 28 15.658 -5.603 7.460 215 HD3 LYS 28 HD3 LYS 28 15.797 -4.505 6.101 216 HE2 LYS 28 HE2 LYS 28 16.830 -2.787 7.483 217 HE3 LYS 28 HE3 LYS 28 16.455 -3.657 8.957 218 HZ1 LYS 28 HZ1 LYS 28 17.946 -5.455 8.164 219 HZ2 LYS 28 HZ2 LYS 28 18.340 -4.574 6.853 220 H LYS 29 H LYS 29 9.520 -4.121 6.841 221 HA LYS 29 HA LYS 29 8.856 -6.689 5.884 222 HB2 LYS 29 HB2 LYS 29 7.473 -4.378 7.103 223 HB3 LYS 29 HB3 LYS 29 6.474 -5.354 6.046 224 HG2 LYS 29 HG2 LYS 29 8.222 -6.562 8.236 225 HG3 LYS 29 HG3 LYS 29 6.558 -6.084 8.511 226 HD2 LYS 29 HD2 LYS 29 6.590 -7.649 6.101 227 HD3 LYS 29 HD3 LYS 29 7.561 -8.509 7.280 228 HE2 LYS 29 HE2 LYS 29 5.420 -7.755 8.847 229 HE3 LYS 29 HE3 LYS 29 4.631 -7.938 7.293 230 HZ1 LYS 29 HZ1 LYS 29 5.917 -10.173 7.226 231 HZ2 LYS 29 HZ2 LYS 29 6.074 -9.992 8.837 232 H CYS 30 H CYS 30 8.261 -3.348 4.593 233 HA CYS 30 HA CYS 30 7.479 -4.562 2.076 234 HB2 CYS 30 HB2 CYS 30 7.479 -1.609 2.742 235 HB3 CYS 30 HB3 CYS 30 6.609 -2.427 1.459 236 H HIS 31 H HIS 31 9.762 -2.067 3.422 237 HA HIS 31 HA HIS 31 11.202 -1.877 0.994 238 HB2 HIS 31 HB2 HIS 31 11.900 -0.987 3.806 239 HB3 HIS 31 HB3 HIS 31 12.796 -0.551 2.364 240 HD1 HIS 31 HD1 HIS 31 11.038 0.603 0.410 241 HD2 HIS 31 HD2 HIS 31 10.108 0.943 4.486 242 HE1 HIS 31 HE1 HIS 31 9.420 2.565 0.612 243 H GLU 32 H GLU 32 12.253 -3.641 0.193 244 HA GLU 32 HA GLU 32 13.427 -5.486 2.047 245 HB2 GLU 32 HB2 GLU 32 12.310 -5.682 -0.528 246 HB3 GLU 32 HB3 GLU 32 14.022 -5.945 -0.794 247 HG2 GLU 32 HG2 GLU 32 14.069 -7.746 0.875 248 HG3 GLU 32 HG3 GLU 32 12.417 -7.409 1.351 249 HE2 GLU 32 HE2 GLU 32 11.082 -9.454 -0.369 250 H LYS 33 H LYS 33 14.493 -3.290 -0.636 251 HA LYS 33 HA LYS 33 17.257 -3.747 0.141 252 HB2 LYS 33 HB2 LYS 33 16.026 -2.232 -2.180 253 HB3 LYS 33 HB3 LYS 33 17.747 -2.397 -1.898 254 HG2 LYS 33 HG2 LYS 33 16.828 -5.037 -1.705 255 HG3 LYS 33 HG3 LYS 33 15.826 -4.367 -2.977 256 HD2 LYS 33 HD2 LYS 33 18.367 -3.376 -3.608 257 HD3 LYS 33 HD3 LYS 33 18.721 -4.977 -2.990 258 HE2 LYS 33 HE2 LYS 33 16.493 -5.426 -4.628 259 HE3 LYS 33 HE3 LYS 33 17.376 -4.193 -5.505 260 HZ1 LYS 33 HZ1 LYS 33 19.402 -5.670 -5.141 261 HZ2 LYS 33 HZ2 LYS 33 18.382 -6.849 -4.671 262 H GLY 34 H GLY 34 15.403 -2.441 2.018 263 HA2 GLY 34 HA2 GLY 34 15.838 -0.804 3.567 264 HA3 GLY 34 HA3 GLY 34 16.987 -0.050 2.479 265 HA PRO 35 HA PRO 35 12.773 2.209 2.794 266 HB2 PRO 35 HB2 PRO 35 13.997 4.601 3.569 267 HB3 PRO 35 HB3 PRO 35 13.347 3.367 4.698 268 HG2 PRO 35 HG2 PRO 35 16.001 3.703 3.669 269 HG3 PRO 35 HG3 PRO 35 15.855 3.443 5.438 270 HD2 PRO 35 HD2 PRO 35 16.503 1.324 4.107 271 HD3 PRO 35 HD3 PRO 35 14.953 1.160 4.989 272 H GLY 36 H GLY 36 12.036 3.469 1.021 273 HA2 GLY 36 HA2 GLY 36 12.998 5.317 -0.486 274 HA3 GLY 36 HA3 GLY 36 14.102 4.054 -0.993 275 H LYS 37 H LYS 37 13.055 4.530 -3.167 276 HA LYS 37 HA LYS 37 10.343 3.816 -3.549 277 HB2 LYS 37 HB2 LYS 37 12.672 4.528 -5.287 278 HB3 LYS 37 HB3 LYS 37 11.305 3.723 -6.029 279 HG2 LYS 37 HG2 LYS 37 10.314 5.765 -6.144 280 HG3 LYS 37 HG3 LYS 37 10.075 5.646 -4.412 281 HD2 LYS 37 HD2 LYS 37 11.454 7.417 -4.114 282 HD3 LYS 37 HD3 LYS 37 12.782 6.478 -4.765 283 HE2 LYS 37 HE2 LYS 37 11.476 7.185 -7.091 284 HE3 LYS 37 HE3 LYS 37 11.117 8.574 -6.086 285 HZ1 LYS 37 HZ1 LYS 37 13.476 8.137 -7.405 286 HZ2 LYS 37 HZ2 LYS 37 13.247 9.253 -6.241 287 H ILE 38 H ILE 38 9.494 1.940 -4.667 288 HA ILE 38 HA ILE 38 11.202 -0.405 -4.222 289 HB ILE 38 HB ILE 38 8.192 -0.159 -4.274 290 HG12 ILE 38 HG12 ILE 38 10.006 -0.746 -1.921 291 HG13 ILE 38 HG13 ILE 38 9.387 0.851 -2.292 292 HG21 ILE 38 HG21 ILE 38 7.996 -2.395 -4.220 293 HG22 ILE 38 HG22 ILE 38 9.608 -2.373 -4.973 294 HG23 ILE 38 HG23 ILE 38 9.450 -2.608 -3.215 295 HD11 ILE 38 HD11 ILE 38 7.252 0.338 -1.610 296 HD12 ILE 38 HD12 ILE 38 7.338 -1.321 -2.250 297 HD13 ILE 38 HD13 ILE 38 8.087 -0.931 -0.683 298 H GLU 39 H GLU 39 12.031 -1.347 -6.001 299 HA GLU 39 HA GLU 39 10.982 -0.546 -8.540 300 HB2 GLU 39 HB2 GLU 39 12.929 -1.711 -9.469 301 HB3 GLU 39 HB3 GLU 39 13.432 -0.686 -8.139 302 HG2 GLU 39 HG2 GLU 39 13.125 -2.827 -6.648 303 HG3 GLU 39 HG3 GLU 39 13.122 -3.710 -8.163 304 HE2 GLU 39 HE2 GLU 39 15.257 -3.856 -6.224 305 H GLY 40 H GLY 40 9.729 -1.782 -9.928 306 HA2 GLY 40 HA2 GLY 40 9.058 -3.884 -10.792 307 HA3 GLY 40 HA3 GLY 40 9.310 -4.612 -9.219 308 H PHE 41 H PHE 41 8.035 -2.560 -7.592 309 HA PHE 41 HA PHE 41 5.584 -3.418 -7.227 310 HB2 PHE 41 HB2 PHE 41 6.822 -1.500 -6.072 311 HB3 PHE 41 HB3 PHE 41 6.422 -0.462 -7.427 312 HD1 PHE 41 HD1 PHE 41 4.102 0.278 -7.782 313 HD2 PHE 41 HD2 PHE 41 5.179 -2.048 -4.400 314 HE1 PHE 41 HE1 PHE 41 1.950 0.915 -6.659 315 HE2 PHE 41 HE2 PHE 41 3.026 -1.411 -3.277 316 HZ PHE 41 HZ PHE 41 1.438 0.062 -4.420 317 H GLY 42 H GLY 42 3.401 -2.928 -7.894 318 HA2 GLY 42 HA2 GLY 42 2.711 -1.183 -9.957 319 HA3 GLY 42 HA3 GLY 42 3.072 -2.732 -10.691 320 H LYS 43 H LYS 43 0.746 -2.778 -11.294 321 HA LYS 43 HA LYS 43 -1.298 -2.735 -9.414 322 HB2 LYS 43 HB2 LYS 43 -1.414 -2.584 -11.964 323 HB3 LYS 43 HB3 LYS 43 -1.313 -4.333 -11.982 324 HG2 LYS 43 HG2 LYS 43 -3.275 -3.899 -10.059 325 HG3 LYS 43 HG3 LYS 43 -3.571 -2.581 -11.175 326 HD2 LYS 43 HD2 LYS 43 -3.103 -4.861 -12.813 327 HD3 LYS 43 HD3 LYS 43 -4.124 -5.431 -11.507 328 HE2 LYS 43 HE2 LYS 43 -5.802 -3.712 -11.968 329 HE3 LYS 43 HE3 LYS 43 -4.744 -2.908 -13.110 330 HZ1 LYS 43 HZ1 LYS 43 -4.845 -5.388 -14.141 331 HZ2 LYS 43 HZ2 LYS 43 -6.337 -5.297 -13.496 332 H GLU 44 H GLU 44 -0.302 -5.755 -11.144 333 HA GLU 44 HA GLU 44 -1.369 -7.550 -9.573 334 HB2 GLU 44 HB2 GLU 44 1.353 -7.531 -10.899 335 HB3 GLU 44 HB3 GLU 44 0.836 -8.939 -9.994 336 HG2 GLU 44 HG2 GLU 44 0.275 -8.615 -12.625 337 HG3 GLU 44 HG3 GLU 44 -0.760 -9.530 -11.548 338 HE2 GLU 44 HE2 GLU 44 -0.633 -6.898 -13.549 339 H MET 45 H MET 45 1.544 -5.626 -8.758 340 HA MET 45 HA MET 45 2.175 -7.105 -6.463 341 HB2 MET 45 HB2 MET 45 3.345 -5.075 -7.972 342 HB3 MET 45 HB3 MET 45 2.874 -4.194 -6.533 343 HG2 MET 45 HG2 MET 45 4.520 -6.772 -6.518 344 HG3 MET 45 HG3 MET 45 5.199 -5.162 -6.386 345 HE1 MET 45 HE1 MET 45 6.289 -6.376 -4.656 346 HE2 MET 45 HE2 MET 45 5.989 -5.501 -3.135 347 HE3 MET 45 HE3 MET 45 5.521 -7.212 -3.284 348 H ALA 46 H ALA 46 0.586 -3.859 -6.902 349 HA ALA 46 HA ALA 46 0.042 -3.357 -4.261 350 HB1 ALA 46 HB1 ALA 46 -2.077 -2.207 -5.485 351 HB2 ALA 46 HB2 ALA 46 -0.427 -1.548 -5.587 352 HB3 ALA 46 HB3 ALA 46 -1.069 -2.549 -6.912 353 H HIS 47 H HIS 47 -2.049 -5.054 -6.701 354 HA HIS 47 HA HIS 47 -4.012 -5.680 -4.775 355 HB2 HIS 47 HB2 HIS 47 -3.488 -6.914 -7.494 356 HB3 HIS 47 HB3 HIS 47 -4.952 -7.101 -6.548 357 HD1 HIS 47 HD1 HIS 47 -4.700 -5.744 -9.458 358 HD2 HIS 47 HD2 HIS 47 -5.096 -3.750 -5.789 359 HE1 HIS 47 HE1 HIS 47 -5.679 -3.450 -9.994 360 H GLY 48 H GLY 48 -1.049 -7.257 -5.984 361 HA2 GLY 48 HA2 GLY 48 -1.598 -9.813 -4.837 362 HA3 GLY 48 HA3 GLY 48 -0.067 -9.222 -5.453 363 H LYS 49 H LYS 49 1.426 -9.562 -3.846 364 HA LYS 49 HA LYS 49 0.638 -9.111 -1.098 365 HB2 LYS 49 HB2 LYS 49 3.083 -10.277 -2.437 366 HB3 LYS 49 HB3 LYS 49 3.056 -9.912 -0.724 367 HG2 LYS 49 HG2 LYS 49 1.316 -11.483 -0.284 368 HG3 LYS 49 HG3 LYS 49 0.818 -11.547 -1.963 369 HD2 LYS 49 HD2 LYS 49 2.010 -13.551 -1.787 370 HD3 LYS 49 HD3 LYS 49 3.262 -12.480 -2.386 371 HE2 LYS 49 HE2 LYS 49 4.447 -12.542 -0.415 372 HE3 LYS 49 HE3 LYS 49 3.003 -12.477 0.577 373 HZ1 LYS 49 HZ1 LYS 49 4.507 -14.730 0.025 374 HZ2 LYS 49 HZ2 LYS 49 3.073 -14.700 0.795 375 H GLY 50 H GLY 50 0.517 -6.791 -2.785 376 HA2 GLY 50 HA2 GLY 50 2.889 -5.258 -1.929 377 HA3 GLY 50 HA3 GLY 50 1.810 -4.848 -3.248 378 H CYS 51 H CYS 51 -0.738 -5.095 -2.182 379 HA CYS 51 HA CYS 51 -0.651 -3.349 0.166 380 HB2 CYS 51 HB2 CYS 51 -2.447 -3.036 -2.248 381 HB3 CYS 51 HB3 CYS 51 -2.604 -2.134 -0.754 382 H LYS 52 H LYS 52 -3.437 -4.544 -1.784 383 HA LYS 52 HA LYS 52 -4.990 -5.365 0.252 384 HB2 LYS 52 HB2 LYS 52 -4.697 -6.349 -2.579 385 HB3 LYS 52 HB3 LYS 52 -5.859 -7.094 -1.500 386 HG2 LYS 52 HG2 LYS 52 -6.320 -4.386 -1.053 387 HG3 LYS 52 HG3 LYS 52 -5.904 -4.404 -2.755 388 HD2 LYS 52 HD2 LYS 52 -7.941 -6.341 -1.579 389 HD3 LYS 52 HD3 LYS 52 -8.401 -4.747 -2.143 390 HE2 LYS 52 HE2 LYS 52 -8.759 -6.066 -4.062 391 HE3 LYS 52 HE3 LYS 52 -7.163 -5.410 -4.367 392 HZ1 LYS 52 HZ1 LYS 52 -7.037 -7.844 -2.862 393 HZ2 LYS 52 HZ2 LYS 52 -7.792 -8.071 -4.287 394 H GLY 53 H GLY 53 -2.540 -7.411 -1.475 395 HA2 GLY 53 HA2 GLY 53 -2.707 -9.812 -0.462 396 HA3 GLY 53 HA3 GLY 53 -1.168 -8.974 -0.490 397 H CYS 54 H CYS 54 -0.925 -7.294 1.474 398 HA CYS 54 HA CYS 54 -0.827 -8.823 3.772 399 HB2 CYS 54 HB2 CYS 54 0.599 -6.849 3.331 400 HB3 CYS 54 HB3 CYS 54 -0.788 -5.796 3.535 401 H HIS 55 H HIS 55 -3.117 -6.200 2.730 402 HA HIS 55 HA HIS 55 -4.683 -6.041 4.922 403 HB2 HIS 55 HB2 HIS 55 -5.417 -5.908 1.991 404 HB3 HIS 55 HB3 HIS 55 -6.552 -5.521 3.269 405 HD1 HIS 55 HD1 HIS 55 -6.221 -3.175 1.654 406 HD2 HIS 55 HD2 HIS 55 -3.314 -4.134 4.522 407 HE1 HIS 55 HE1 HIS 55 -4.947 -1.016 2.130 408 H GLU 56 H GLU 56 -5.628 -8.090 2.071 409 HA GLU 56 HA GLU 56 -7.543 -9.488 3.417 410 HB2 GLU 56 HB2 GLU 56 -6.856 -11.321 1.577 411 HB3 GLU 56 HB3 GLU 56 -7.691 -9.842 1.145 412 HG2 GLU 56 HG2 GLU 56 -5.837 -8.922 0.120 413 HG3 GLU 56 HG3 GLU 56 -4.716 -9.614 1.276 414 HE2 GLU 56 HE2 GLU 56 -5.824 -10.649 -2.101 415 H GLU 57 H GLU 57 -4.073 -9.681 3.683 416 HA GLU 57 HA GLU 57 -3.792 -12.339 4.373 417 HB2 GLU 57 HB2 GLU 57 -2.098 -10.212 4.044 418 HB3 GLU 57 HB3 GLU 57 -2.062 -10.361 5.790 419 HG2 GLU 57 HG2 GLU 57 -0.288 -11.740 4.699 420 HG3 GLU 57 HG3 GLU 57 -1.397 -12.722 5.635 421 HE2 GLU 57 HE2 GLU 57 -0.738 -13.234 1.873 422 H MET 58 H MET 58 -4.299 -9.408 6.458 423 HA MET 58 HA MET 58 -4.854 -11.224 8.656 424 HB2 MET 58 HB2 MET 58 -4.419 -8.185 8.581 425 HB3 MET 58 HB3 MET 58 -4.632 -9.122 10.046 426 HG2 MET 58 HG2 MET 58 -2.531 -10.322 8.412 427 HG3 MET 58 HG3 MET 58 -2.193 -8.619 8.651 428 HE1 MET 58 HE1 MET 58 -0.702 -8.097 11.384 429 HE2 MET 58 HE2 MET 58 -2.095 -7.439 10.493 430 HE3 MET 58 HE3 MET 58 -2.279 -7.933 12.193 431 H LYS 59 H LYS 59 -6.541 -9.893 6.172 432 HA LYS 59 HA LYS 59 -8.699 -9.571 5.814 433 HB2 LYS 59 HB2 LYS 59 -8.715 -10.957 8.402 434 HB3 LYS 59 HB3 LYS 59 -10.116 -9.933 8.164 435 HG2 LYS 59 HG2 LYS 59 -9.130 -11.967 6.109 436 HG3 LYS 59 HG3 LYS 59 -10.388 -12.299 7.283 437 HD2 LYS 59 HD2 LYS 59 -11.120 -9.832 6.056 438 HD3 LYS 59 HD3 LYS 59 -10.578 -10.864 4.748 439 HE2 LYS 59 HE2 LYS 59 -12.587 -11.915 4.814 440 HE3 LYS 59 HE3 LYS 59 -12.153 -12.559 6.385 441 HZ1 LYS 59 HZ1 LYS 59 -13.429 -9.904 5.999 442 HZ2 LYS 59 HZ2 LYS 59 -14.243 -11.252 6.413 443 H LYS 60 H LYS 60 -6.674 -7.691 7.513 444 HA LYS 60 HA LYS 60 -8.711 -5.710 8.217 445 HB2 LYS 60 HB2 LYS 60 -5.771 -5.758 8.953 446 HB3 LYS 60 HB3 LYS 60 -6.988 -4.651 9.556 447 HG2 LYS 60 HG2 LYS 60 -7.405 -7.637 9.873 448 HG3 LYS 60 HG3 LYS 60 -6.327 -6.797 10.970 449 HD2 LYS 60 HD2 LYS 60 -8.354 -5.090 11.208 450 HD3 LYS 60 HD3 LYS 60 -9.309 -6.423 10.590 451 HE2 LYS 60 HE2 LYS 60 -8.114 -7.857 12.444 452 HE3 LYS 60 HE3 LYS 60 -7.675 -6.315 13.151 453 HZ1 LYS 60 HZ1 LYS 60 -10.338 -6.036 12.617 454 HZ2 LYS 60 HZ2 LYS 60 -10.246 -7.588 13.103 455 H GLY 61 H GLY 61 -8.573 -3.551 7.396 456 HA2 GLY 61 HA2 GLY 61 -7.706 -1.897 6.029 457 HA3 GLY 61 HA3 GLY 61 -6.622 -3.053 5.281 458 HA PRO 62 HA PRO 62 -10.608 -2.197 2.767 459 HB2 PRO 62 HB2 PRO 62 -9.429 -0.628 0.816 460 HB3 PRO 62 HB3 PRO 62 -10.139 0.029 2.326 461 HG2 PRO 62 HG2 PRO 62 -7.417 -0.667 1.678 462 HG3 PRO 62 HG3 PRO 62 -7.841 0.894 2.454 463 HD2 PRO 62 HD2 PRO 62 -6.875 -1.076 3.976 464 HD3 PRO 62 HD3 PRO 62 -8.351 -0.234 4.538 465 H THR 63 H THR 63 -10.975 -4.019 1.507 466 HA THR 63 HA THR 63 -8.722 -4.897 -0.177 467 HB THR 63 HB THR 63 -9.481 -7.219 0.306 468 HG1 THR 63 HG1 THR 63 -11.269 -5.827 2.164 469 HG21 THR 63 HG21 THR 63 -9.596 -6.472 3.101 470 HG22 THR 63 HG22 THR 63 -8.236 -7.209 2.220 471 HG23 THR 63 HG23 THR 63 -8.392 -5.437 2.297 472 H LYS 64 H LYS 64 -11.842 -3.586 -0.064 473 HA LYS 64 HA LYS 64 -12.617 -4.890 -2.558 474 HB2 LYS 64 HB2 LYS 64 -14.225 -2.981 -0.840 475 HB3 LYS 64 HB3 LYS 64 -14.812 -3.975 -2.158 476 HG2 LYS 64 HG2 LYS 64 -13.470 -5.760 -0.380 477 HG3 LYS 64 HG3 LYS 64 -14.415 -4.693 0.640 478 HD2 LYS 64 HD2 LYS 64 -16.192 -6.029 0.154 479 HD3 LYS 64 HD3 LYS 64 -16.204 -5.259 -1.420 480 HE2 LYS 64 HE2 LYS 64 -14.194 -7.416 -1.255 481 HE3 LYS 64 HE3 LYS 64 -15.812 -7.996 -0.918 482 HZ1 LYS 64 HZ1 LYS 64 -15.955 -6.265 -3.126 483 HZ2 LYS 64 HZ2 LYS 64 -14.743 -7.313 -3.416 484 H CYS 65 H CYS 65 -13.356 -3.528 -4.385 485 HA CYS 65 HA CYS 65 -11.438 -1.534 -4.913 486 HB2 CYS 65 HB2 CYS 65 -13.889 -1.713 -6.583 487 HB3 CYS 65 HB3 CYS 65 -12.210 -1.553 -7.056 488 H GLY 66 H GLY 66 -11.990 0.774 -5.483 489 HA2 GLY 66 HA2 GLY 66 -13.256 2.684 -5.296 490 HA3 GLY 66 HA3 GLY 66 -14.485 1.810 -4.404 491 H GLU 67 H GLU 67 -12.602 0.554 -2.477 492 HA GLU 67 HA GLU 67 -12.550 2.700 -0.649 493 HB2 GLU 67 HB2 GLU 67 -12.667 -0.058 -0.456 494 HB3 GLU 67 HB3 GLU 67 -11.018 0.254 0.050 495 HG2 GLU 67 HG2 GLU 67 -11.872 1.956 1.701 496 HG3 GLU 67 HG3 GLU 67 -13.514 1.571 1.222 497 HE2 GLU 67 HE2 GLU 67 -13.247 -0.174 4.038 498 H CYS 68 H CYS 68 -10.358 1.495 -3.048 499 HA CYS 68 HA CYS 68 -8.148 2.889 -1.722 500 HB2 CYS 68 HB2 CYS 68 -8.279 0.329 -3.108 501 HB3 CYS 68 HB3 CYS 68 -7.081 1.382 -3.834 502 H HIS 69 H HIS 69 -9.785 2.170 -4.883 503 HA HIS 69 HA HIS 69 -8.462 4.437 -6.084 504 HB2 HIS 69 HB2 HIS 69 -10.455 2.455 -7.220 505 HB3 HIS 69 HB3 HIS 69 -9.617 3.690 -8.138 506 HD1 HIS 69 HD1 HIS 69 -6.850 3.452 -8.062 507 HD2 HIS 69 HD2 HIS 69 -9.126 0.062 -7.101 508 HE1 HIS 69 HE1 HIS 69 -5.287 1.450 -8.303 509 H LYS 70 H LYS 70 -9.243 6.406 -5.468 510 HA LYS 70 HA LYS 70 -12.166 6.668 -5.366 511 HB2 LYS 70 HB2 LYS 70 -9.961 8.026 -3.818 512 HB3 LYS 70 HB3 LYS 70 -11.551 8.748 -3.961 513 HG2 LYS 70 HG2 LYS 70 -11.784 5.910 -3.289 514 HG3 LYS 70 HG3 LYS 70 -10.741 6.722 -2.138 515 HD2 LYS 70 HD2 LYS 70 -12.649 7.415 -1.108 516 HD3 LYS 70 HD3 LYS 70 -12.823 8.553 -2.429 517 HE2 LYS 70 HE2 LYS 70 -13.824 6.128 -3.478 518 HE3 LYS 70 HE3 LYS 70 -14.405 6.147 -1.825 519 HZ1 LYS 70 HZ1 LYS 70 -14.793 8.329 -3.805 520 HZ2 LYS 70 HZ2 LYS 70 -15.950 7.323 -3.256 521 H LYS 71 H LYS 71 -13.030 7.636 -7.114 522 HA LYS 71 HA LYS 71 -11.392 8.934 -9.013 523 HB2 LYS 71 HB2 LYS 71 -14.375 8.591 -8.683 524 HB3 LYS 71 HB3 LYS 71 -13.695 9.538 -9.991 525 HG2 LYS 71 HG2 LYS 71 -12.153 7.195 -10.041 526 HG3 LYS 71 HG3 LYS 71 -13.752 6.606 -9.632 527 HD2 LYS 71 HD2 LYS 71 -14.732 7.547 -11.618 528 HD3 LYS 71 HD3 LYS 71 -13.340 8.567 -11.922 529 HE2 LYS 71 HE2 LYS 71 -13.189 6.721 -13.472 530 HE3 LYS 71 HE3 LYS 71 -11.951 6.455 -12.260 531 HZ1 LYS 71 HZ1 LYS 71 -14.589 5.109 -12.413 532 HZ2 LYS 71 HZ2 LYS 71 -13.122 4.412 -12.526 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 3.521 13.703 2.108 2 HA ALA 1 HA ALA 1 6.024 13.016 3.375 3 HB1 ALA 1 HB1 ALA 1 5.469 13.624 5.552 4 HB2 ALA 1 HB2 ALA 1 4.790 14.986 4.628 5 HB3 ALA 1 HB3 ALA 1 3.724 13.681 5.204 6 H ASP 2 H ASP 2 4.266 11.732 5.576 7 HA ASP 2 HA ASP 2 4.205 9.247 4.783 8 HB2 ASP 2 HB2 ASP 2 1.631 9.861 6.081 9 HB3 ASP 2 HB3 ASP 2 2.966 8.891 6.671 10 HD2 ASP 2 HD2 ASP 2 1.994 12.328 7.951 11 H ASP 3 H ASP 3 1.768 11.774 3.967 12 HA ASP 3 HA ASP 3 -0.038 10.019 2.754 13 HB2 ASP 3 HB2 ASP 3 0.107 12.819 1.734 14 HB3 ASP 3 HB3 ASP 3 -1.276 11.927 2.336 15 HD2 ASP 3 HD2 ASP 3 0.808 14.444 3.251 16 H ILE 4 H ILE 4 0.296 8.947 0.802 17 HA ILE 4 HA ILE 4 1.876 10.345 -1.232 18 HB ILE 4 HB ILE 4 2.151 7.457 -0.394 19 HG12 ILE 4 HG12 ILE 4 3.986 9.853 -0.179 20 HG13 ILE 4 HG13 ILE 4 3.342 8.871 1.121 21 HG21 ILE 4 HG21 ILE 4 3.014 6.950 -2.375 22 HG22 ILE 4 HG22 ILE 4 2.421 8.520 -2.969 23 HG23 ILE 4 HG23 ILE 4 4.082 8.374 -2.345 24 HD11 ILE 4 HD11 ILE 4 5.755 8.462 -0.399 25 HD12 ILE 4 HD12 ILE 4 5.136 7.503 0.966 26 HD13 ILE 4 HD13 ILE 4 4.666 7.087 -0.699 27 H VAL 5 H VAL 5 0.882 10.449 -3.189 28 HA VAL 5 HA VAL 5 -1.614 8.951 -3.429 29 HB VAL 5 HB VAL 5 -0.516 11.357 -4.895 30 HG11 VAL 5 HG11 VAL 5 -3.247 11.185 -5.411 31 HG12 VAL 5 HG12 VAL 5 -1.927 10.808 -6.544 32 HG13 VAL 5 HG13 VAL 5 -2.670 9.509 -5.580 33 HG21 VAL 5 HG21 VAL 5 -3.034 11.511 -3.333 34 HG22 VAL 5 HG22 VAL 5 -1.540 11.312 -2.386 35 HG23 VAL 5 HG23 VAL 5 -1.709 12.688 -3.502 36 H LEU 6 H LEU 6 -1.679 7.145 -4.656 37 HA LEU 6 HA LEU 6 0.562 6.711 -6.482 38 HB2 LEU 6 HB2 LEU 6 -1.458 4.800 -5.300 39 HB3 LEU 6 HB3 LEU 6 -0.191 4.354 -6.426 40 HG LEU 6 HG LEU 6 0.394 5.634 -3.750 41 HD11 LEU 6 HD11 LEU 6 0.504 2.665 -4.286 42 HD12 LEU 6 HD12 LEU 6 0.638 3.526 -2.734 43 HD13 LEU 6 HD13 LEU 6 -0.925 3.461 -3.584 44 HD21 LEU 6 HD21 LEU 6 2.170 3.912 -5.491 45 HD22 LEU 6 HD22 LEU 6 2.134 5.690 -5.566 46 HD23 LEU 6 HD23 LEU 6 2.626 4.872 -4.063 47 H LYS 7 H LYS 7 0.072 7.777 -8.375 48 HA LYS 7 HA LYS 7 -2.428 8.181 -9.415 49 HB2 LYS 7 HB2 LYS 7 -1.285 8.586 -11.540 50 HB3 LYS 7 HB3 LYS 7 -0.429 9.325 -10.202 51 HG2 LYS 7 HG2 LYS 7 0.430 6.538 -10.788 52 HG3 LYS 7 HG3 LYS 7 0.722 7.662 -12.101 53 HD2 LYS 7 HD2 LYS 7 2.606 8.277 -10.985 54 HD3 LYS 7 HD3 LYS 7 1.551 9.124 -9.871 55 HE2 LYS 7 HE2 LYS 7 2.178 7.721 -8.205 56 HE3 LYS 7 HE3 LYS 7 1.511 6.364 -9.091 57 HZ1 LYS 7 HZ1 LYS 7 3.604 5.672 -9.435 58 HZ2 LYS 7 HZ2 LYS 7 3.953 7.015 -10.288 59 H ALA 8 H ALA 8 -3.914 7.008 -10.576 60 HA ALA 8 HA ALA 8 -3.101 4.406 -11.589 61 HB1 ALA 8 HB1 ALA 8 -5.629 4.080 -10.269 62 HB2 ALA 8 HB2 ALA 8 -4.092 3.241 -9.947 63 HB3 ALA 8 HB3 ALA 8 -4.471 4.760 -9.100 64 H LYS 9 H LYS 9 -4.148 3.906 -13.495 65 HA LYS 9 HA LYS 9 -5.669 5.981 -14.691 66 HB2 LYS 9 HB2 LYS 9 -5.648 4.598 -16.644 67 HB3 LYS 9 HB3 LYS 9 -4.066 4.508 -15.897 68 HG2 LYS 9 HG2 LYS 9 -4.279 2.277 -15.414 69 HG3 LYS 9 HG3 LYS 9 -5.940 2.449 -14.884 70 HD2 LYS 9 HD2 LYS 9 -6.544 2.731 -17.399 71 HD3 LYS 9 HD3 LYS 9 -4.922 2.162 -17.739 72 HE2 LYS 9 HE2 LYS 9 -6.100 0.387 -15.782 73 HE3 LYS 9 HE3 LYS 9 -7.253 0.600 -17.084 74 HZ1 LYS 9 HZ1 LYS 9 -4.609 -0.622 -17.183 75 HZ2 LYS 9 HZ2 LYS 9 -5.953 -1.015 -18.014 76 H ASN 10 H ASN 10 -6.462 3.694 -12.360 77 HA ASN 10 HA ASN 10 -9.224 3.705 -13.296 78 HB2 ASN 10 HB2 ASN 10 -7.665 1.448 -12.857 79 HB3 ASN 10 HB3 ASN 10 -8.433 1.633 -11.292 80 HD21 ASN 10 HD21 ASN 10 -10.010 0.223 -11.189 81 HD22 ASN 10 HD22 ASN 10 -11.260 -0.034 -12.360 82 H GLY 11 H GLY 11 -7.781 5.734 -11.670 83 HA2 GLY 11 HA2 GLY 11 -8.798 7.006 -9.961 84 HA3 GLY 11 HA3 GLY 11 -9.384 5.536 -9.208 85 H ASP 12 H ASP 12 -7.269 7.978 -8.710 86 HA ASP 12 HA ASP 12 -4.860 6.749 -8.191 87 HB2 ASP 12 HB2 ASP 12 -4.363 8.726 -6.831 88 HB3 ASP 12 HB3 ASP 12 -5.238 9.216 -8.267 89 HD2 ASP 12 HD2 ASP 12 -6.044 11.264 -6.514 90 H VAL 13 H VAL 13 -3.909 6.242 -5.983 91 HA VAL 13 HA VAL 13 -5.997 5.359 -4.110 92 HB VAL 13 HB VAL 13 -3.339 4.061 -4.741 93 HG11 VAL 13 HG11 VAL 13 -4.950 2.248 -3.365 94 HG12 VAL 13 HG12 VAL 13 -3.552 3.137 -2.714 95 HG13 VAL 13 HG13 VAL 13 -5.195 3.788 -2.506 96 HG21 VAL 13 HG21 VAL 13 -4.719 2.224 -5.680 97 HG22 VAL 13 HG22 VAL 13 -6.172 3.227 -5.451 98 HG23 VAL 13 HG23 VAL 13 -4.898 3.749 -6.579 99 H LYS 14 H LYS 14 -5.927 6.336 -2.154 100 HA LYS 14 HA LYS 14 -3.617 7.986 -1.576 101 HB2 LYS 14 HB2 LYS 14 -6.036 8.759 -1.391 102 HB3 LYS 14 HB3 LYS 14 -6.176 7.727 0.018 103 HG2 LYS 14 HG2 LYS 14 -4.056 9.904 -0.296 104 HG3 LYS 14 HG3 LYS 14 -5.574 10.131 0.551 105 HD2 LYS 14 HD2 LYS 14 -4.879 8.042 1.964 106 HD3 LYS 14 HD3 LYS 14 -3.277 8.279 1.294 107 HE2 LYS 14 HE2 LYS 14 -2.880 9.858 2.872 108 HE3 LYS 14 HE3 LYS 14 -4.127 10.860 2.155 109 HZ1 LYS 14 HZ1 LYS 14 -4.231 9.613 4.631 110 HZ2 LYS 14 HZ2 LYS 14 -5.438 10.439 3.913 111 H PHE 15 H PHE 15 -1.893 7.024 -0.640 112 HA PHE 15 HA PHE 15 -2.471 4.907 1.306 113 HB2 PHE 15 HB2 PHE 15 -1.108 4.287 -0.710 114 HB3 PHE 15 HB3 PHE 15 -0.030 5.637 -0.419 115 HD1 PHE 15 HD1 PHE 15 -1.369 2.796 1.618 116 HD2 PHE 15 HD2 PHE 15 2.029 5.017 0.381 117 HE1 PHE 15 HE1 PHE 15 0.105 1.318 3.012 118 HE2 PHE 15 HE2 PHE 15 3.503 3.539 1.774 119 HZ PHE 15 HZ PHE 15 2.523 1.707 3.073 120 HA PRO 16 HA PRO 16 -0.827 7.811 4.244 121 HB2 PRO 16 HB2 PRO 16 -1.687 6.497 6.470 122 HB3 PRO 16 HB3 PRO 16 -2.830 7.311 5.352 123 HG2 PRO 16 HG2 PRO 16 -2.445 4.180 5.511 124 HG3 PRO 16 HG3 PRO 16 -3.624 5.513 5.282 125 HD2 PRO 16 HD2 PRO 16 -1.987 4.052 3.283 126 HD3 PRO 16 HD3 PRO 16 -3.331 5.201 3.007 127 H HIS 17 H HIS 17 1.470 7.464 3.827 128 HA HIS 17 HA HIS 17 2.645 5.031 4.753 129 HB2 HIS 17 HB2 HIS 17 3.453 6.233 2.756 130 HB3 HIS 17 HB3 HIS 17 3.907 7.600 3.754 131 HD1 HIS 17 HD1 HIS 17 5.850 7.087 5.607 132 HD2 HIS 17 HD2 HIS 17 5.376 4.271 2.534 133 HE1 HIS 17 HE1 HIS 17 7.986 5.691 5.580 134 H LYS 18 H LYS 18 1.285 5.894 6.910 135 HA LYS 18 HA LYS 18 3.448 6.720 8.674 136 HB2 LYS 18 HB2 LYS 18 2.601 8.823 8.622 137 HB3 LYS 18 HB3 LYS 18 1.019 8.306 8.074 138 HG2 LYS 18 HG2 LYS 18 0.319 7.695 10.280 139 HG3 LYS 18 HG3 LYS 18 1.961 7.663 10.891 140 HD2 LYS 18 HD2 LYS 18 2.066 9.965 11.153 141 HD3 LYS 18 HD3 LYS 18 1.053 10.283 9.759 142 HE2 LYS 18 HE2 LYS 18 -0.743 10.556 11.114 143 HE3 LYS 18 HE3 LYS 18 -0.585 8.902 11.672 144 HZ1 LYS 18 HZ1 LYS 18 0.586 9.572 13.527 145 HZ2 LYS 18 HZ2 LYS 18 1.229 10.896 12.828 146 H ALA 19 H ALA 19 -0.132 6.091 8.809 147 HA ALA 19 HA ALA 19 -0.072 4.758 11.220 148 HB1 ALA 19 HB1 ALA 19 -1.956 5.495 9.292 149 HB2 ALA 19 HB2 ALA 19 -2.070 3.720 9.345 150 HB3 ALA 19 HB3 ALA 19 -2.292 4.670 10.833 151 H HIS 20 H HIS 20 0.934 3.729 8.004 152 HA HIS 20 HA HIS 20 0.773 0.948 8.594 153 HB2 HIS 20 HB2 HIS 20 1.910 2.608 6.357 154 HB3 HIS 20 HB3 HIS 20 2.294 0.901 6.468 155 HD1 HIS 20 HD1 HIS 20 -0.585 3.261 5.828 156 HD2 HIS 20 HD2 HIS 20 0.191 -0.861 5.826 157 HE1 HIS 20 HE1 HIS 20 -2.601 2.154 4.724 158 H GLN 21 H GLN 21 2.646 3.359 9.890 159 HA GLN 21 HA GLN 21 5.083 1.809 9.880 160 HB2 GLN 21 HB2 GLN 21 4.431 4.565 11.009 161 HB3 GLN 21 HB3 GLN 21 6.010 3.815 11.113 162 HG2 GLN 21 HG2 GLN 21 6.332 3.870 8.743 163 HG3 GLN 21 HG3 GLN 21 4.626 4.115 8.425 164 HE21 GLN 21 HE21 GLN 21 6.468 5.721 7.265 165 HE22 GLN 21 HE22 GLN 21 6.406 7.328 7.909 166 H LYS 22 H LYS 22 2.732 3.270 12.231 167 HA LYS 22 HA LYS 22 3.915 2.019 14.469 168 HB2 LYS 22 HB2 LYS 22 1.260 3.384 13.988 169 HB3 LYS 22 HB3 LYS 22 1.683 2.682 15.537 170 HG2 LYS 22 HG2 LYS 22 3.796 4.416 14.345 171 HG3 LYS 22 HG3 LYS 22 2.316 5.256 14.762 172 HD2 LYS 22 HD2 LYS 22 2.878 3.502 16.951 173 HD3 LYS 22 HD3 LYS 22 4.402 4.254 16.526 174 HE2 LYS 22 HE2 LYS 22 2.989 6.495 16.464 175 HE3 LYS 22 HE3 LYS 22 1.822 5.586 17.405 176 HZ1 LYS 22 HZ1 LYS 22 3.205 5.564 19.201 177 HZ2 LYS 22 HZ2 LYS 22 4.572 5.395 18.332 178 H ALA 23 H ALA 23 1.644 1.007 11.971 179 HA ALA 23 HA ALA 23 0.681 -1.221 13.526 180 HB1 ALA 23 HB1 ALA 23 -0.907 -1.381 11.897 181 HB2 ALA 23 HB2 ALA 23 -0.368 0.268 11.499 182 HB3 ALA 23 HB3 ALA 23 0.266 -1.120 10.583 183 H VAL 24 H VAL 24 3.256 -0.453 11.221 184 HA VAL 24 HA VAL 24 4.216 -3.190 11.540 185 HB VAL 24 HB VAL 24 3.983 -1.744 8.893 186 HG11 VAL 24 HG11 VAL 24 5.337 -4.298 9.734 187 HG12 VAL 24 HG12 VAL 24 4.690 -4.123 8.085 188 HG13 VAL 24 HG13 VAL 24 5.931 -2.994 8.678 189 HG21 VAL 24 HG21 VAL 24 2.383 -3.469 8.268 190 HG22 VAL 24 HG22 VAL 24 2.553 -4.242 9.862 191 HG23 VAL 24 HG23 VAL 24 1.823 -2.624 9.731 192 HA PRO 25 HA PRO 25 7.022 0.419 12.741 193 HB2 PRO 25 HB2 PRO 25 7.776 -2.013 14.425 194 HB3 PRO 25 HB3 PRO 25 7.819 -0.265 14.827 195 HG2 PRO 25 HG2 PRO 25 5.445 -1.664 15.667 196 HG3 PRO 25 HG3 PRO 25 5.793 -0.091 14.878 197 HD2 PRO 25 HD2 PRO 25 4.889 -2.744 13.610 198 HD3 PRO 25 HD3 PRO 25 4.109 -1.139 13.479 199 H ASP 26 H ASP 26 7.367 -2.984 11.652 200 HA ASP 26 HA ASP 26 10.146 -2.700 11.201 201 HB2 ASP 26 HB2 ASP 26 9.118 -4.905 11.616 202 HB3 ASP 26 HB3 ASP 26 8.089 -4.726 10.209 203 HD2 ASP 26 HD2 ASP 26 9.792 -6.849 10.575 204 H CYS 27 H CYS 27 10.935 -1.433 9.513 205 HA CYS 27 HA CYS 27 9.185 -0.791 7.325 206 HB2 CYS 27 HB2 CYS 27 12.060 0.044 7.468 207 HB3 CYS 27 HB3 CYS 27 10.691 0.878 6.759 208 H LYS 28 H LYS 28 11.512 -3.198 8.189 209 HA LYS 28 HA LYS 28 12.529 -3.642 5.552 210 HB2 LYS 28 HB2 LYS 28 12.670 -5.408 8.014 211 HB3 LYS 28 HB3 LYS 28 13.635 -5.565 6.561 212 HG2 LYS 28 HG2 LYS 28 14.181 -2.965 7.130 213 HG3 LYS 28 HG3 LYS 28 13.818 -3.518 8.753 214 HD2 LYS 28 HD2 LYS 28 15.564 -5.391 7.265 215 HD3 LYS 28 HD3 LYS 28 16.273 -3.799 7.444 216 HE2 LYS 28 HE2 LYS 28 16.971 -4.783 9.442 217 HE3 LYS 28 HE3 LYS 28 15.476 -4.037 9.974 218 HZ1 LYS 28 HZ1 LYS 28 15.565 -6.835 8.996 219 HZ2 LYS 28 HZ2 LYS 28 15.757 -6.461 10.569 220 H LYS 29 H LYS 29 9.507 -4.063 6.945 221 HA LYS 29 HA LYS 29 8.865 -6.652 6.026 222 HB2 LYS 29 HB2 LYS 29 7.459 -4.331 7.201 223 HB3 LYS 29 HB3 LYS 29 6.472 -5.339 6.163 224 HG2 LYS 29 HG2 LYS 29 8.234 -6.493 8.370 225 HG3 LYS 29 HG3 LYS 29 6.571 -6.012 8.648 226 HD2 LYS 29 HD2 LYS 29 6.637 -7.637 6.260 227 HD3 LYS 29 HD3 LYS 29 7.550 -8.470 7.503 228 HE2 LYS 29 HE2 LYS 29 5.547 -9.187 8.313 229 HE3 LYS 29 HE3 LYS 29 5.316 -7.556 8.912 230 HZ1 LYS 29 HZ1 LYS 29 4.643 -7.782 6.133 231 HZ2 LYS 29 HZ2 LYS 29 3.744 -8.786 7.048 232 H CYS 30 H CYS 30 8.302 -3.331 4.676 233 HA CYS 30 HA CYS 30 7.513 -4.586 2.178 234 HB2 CYS 30 HB2 CYS 30 7.505 -1.624 2.808 235 HB3 CYS 30 HB3 CYS 30 6.652 -2.455 1.523 236 H HIS 31 H HIS 31 9.788 -2.068 3.493 237 HA HIS 31 HA HIS 31 11.240 -1.924 1.067 238 HB2 HIS 31 HB2 HIS 31 11.920 -0.965 3.861 239 HB3 HIS 31 HB3 HIS 31 12.819 -0.558 2.413 240 HD1 HIS 31 HD1 HIS 31 11.061 0.541 0.426 241 HD2 HIS 31 HD2 HIS 31 10.115 0.971 4.490 242 HE1 HIS 31 HE1 HIS 31 9.432 2.499 0.577 243 H GLU 32 H GLU 32 12.242 -3.753 0.329 244 HA GLU 32 HA GLU 32 13.428 -5.531 2.228 245 HB2 GLU 32 HB2 GLU 32 12.827 -5.555 -0.705 246 HB3 GLU 32 HB3 GLU 32 14.178 -6.544 -0.187 247 HG2 GLU 32 HG2 GLU 32 11.538 -6.681 1.306 248 HG3 GLU 32 HG3 GLU 32 11.745 -7.569 -0.191 249 HE2 GLU 32 HE2 GLU 32 11.750 -8.993 2.580 250 H LYS 33 H LYS 33 14.520 -3.408 -0.503 251 HA LYS 33 HA LYS 33 17.276 -3.844 0.308 252 HB2 LYS 33 HB2 LYS 33 16.059 -2.388 -2.057 253 HB3 LYS 33 HB3 LYS 33 17.779 -2.533 -1.757 254 HG2 LYS 33 HG2 LYS 33 16.913 -5.174 -1.509 255 HG3 LYS 33 HG3 LYS 33 15.868 -4.558 -2.774 256 HD2 LYS 33 HD2 LYS 33 18.716 -3.752 -3.065 257 HD3 LYS 33 HD3 LYS 33 18.456 -5.482 -3.158 258 HE2 LYS 33 HE2 LYS 33 18.055 -4.976 -5.379 259 HE3 LYS 33 HE3 LYS 33 16.430 -4.722 -4.774 260 HZ1 LYS 33 HZ1 LYS 33 16.606 -2.580 -5.375 261 HZ2 LYS 33 HZ2 LYS 33 17.890 -2.346 -4.400 262 H GLY 34 H GLY 34 15.414 -2.496 2.144 263 HA2 GLY 34 HA2 GLY 34 15.815 -0.821 3.654 264 HA3 GLY 34 HA3 GLY 34 17.000 -0.107 2.578 265 HA PRO 35 HA PRO 35 12.826 2.231 2.746 266 HB2 PRO 35 HB2 PRO 35 14.068 4.629 3.441 267 HB3 PRO 35 HB3 PRO 35 13.422 3.439 4.617 268 HG2 PRO 35 HG2 PRO 35 16.038 3.667 3.488 269 HG3 PRO 35 HG3 PRO 35 16.092 3.515 5.274 270 HD2 PRO 35 HD2 PRO 35 16.504 1.280 4.151 271 HD3 PRO 35 HD3 PRO 35 14.932 1.266 5.006 272 H GLY 36 H GLY 36 12.127 3.420 0.913 273 HA2 GLY 36 HA2 GLY 36 13.155 5.195 -0.655 274 HA3 GLY 36 HA3 GLY 36 14.213 3.874 -1.112 275 H LYS 37 H LYS 37 13.207 4.260 -3.306 276 HA LYS 37 HA LYS 37 10.459 3.623 -3.652 277 HB2 LYS 37 HB2 LYS 37 12.792 4.245 -5.421 278 HB3 LYS 37 HB3 LYS 37 11.405 3.447 -6.135 279 HG2 LYS 37 HG2 LYS 37 10.455 5.506 -6.299 280 HG3 LYS 37 HG3 LYS 37 10.221 5.435 -4.563 281 HD2 LYS 37 HD2 LYS 37 11.621 7.200 -4.331 282 HD3 LYS 37 HD3 LYS 37 12.937 6.206 -4.922 283 HE2 LYS 37 HE2 LYS 37 12.842 8.139 -6.365 284 HE3 LYS 37 HE3 LYS 37 12.219 6.794 -7.299 285 HZ1 LYS 37 HZ1 LYS 37 10.903 9.129 -6.913 286 HZ2 LYS 37 HZ2 LYS 37 10.181 7.745 -7.376 287 H ILE 38 H ILE 38 9.562 1.733 -4.695 288 HA ILE 38 HA ILE 38 11.235 -0.629 -4.214 289 HB ILE 38 HB ILE 38 8.228 -0.344 -4.239 290 HG12 ILE 38 HG12 ILE 38 10.059 -0.852 -1.880 291 HG13 ILE 38 HG13 ILE 38 9.449 0.734 -2.309 292 HG21 ILE 38 HG21 ILE 38 8.160 -2.643 -3.475 293 HG22 ILE 38 HG22 ILE 38 9.007 -2.543 -5.038 294 HG23 ILE 38 HG23 ILE 38 9.936 -2.745 -3.533 295 HD11 ILE 38 HD11 ILE 38 7.621 0.240 -1.059 296 HD12 ILE 38 HD12 ILE 38 7.152 -0.888 -2.354 297 HD13 ILE 38 HD13 ILE 38 8.079 -1.476 -0.952 298 H GLU 39 H GLU 39 12.022 -1.628 -5.981 299 HA GLU 39 HA GLU 39 10.942 -0.880 -8.523 300 HB2 GLU 39 HB2 GLU 39 13.283 -2.647 -7.699 301 HB3 GLU 39 HB3 GLU 39 12.838 -2.375 -9.372 302 HG2 GLU 39 HG2 GLU 39 14.432 -0.690 -9.058 303 HG3 GLU 39 HG3 GLU 39 12.952 0.188 -8.727 304 HE2 GLU 39 HE2 GLU 39 14.858 1.411 -6.691 305 H GLY 40 H GLY 40 9.686 -2.156 -9.884 306 HA2 GLY 40 HA2 GLY 40 8.963 -4.263 -10.671 307 HA3 GLY 40 HA3 GLY 40 9.233 -4.954 -9.083 308 H PHE 41 H PHE 41 8.009 -2.775 -7.531 309 HA PHE 41 HA PHE 41 5.534 -3.633 -7.126 310 HB2 PHE 41 HB2 PHE 41 6.801 -1.773 -5.938 311 HB3 PHE 41 HB3 PHE 41 6.486 -0.710 -7.295 312 HD1 PHE 41 HD1 PHE 41 4.625 -2.829 -4.848 313 HD2 PHE 41 HD2 PHE 41 4.683 0.725 -7.164 314 HE1 PHE 41 HE1 PHE 41 2.479 -2.094 -3.773 315 HE2 PHE 41 HE2 PHE 41 2.538 1.461 -6.089 316 HZ PHE 41 HZ PHE 41 1.461 0.043 -4.407 317 H GLY 42 H GLY 42 3.338 -2.747 -7.654 318 HA2 GLY 42 HA2 GLY 42 2.663 -1.072 -9.683 319 HA3 GLY 42 HA3 GLY 42 3.027 -2.573 -10.511 320 H LYS 43 H LYS 43 0.787 -2.819 -11.143 321 HA LYS 43 HA LYS 43 -1.320 -2.786 -9.313 322 HB2 LYS 43 HB2 LYS 43 -1.368 -2.643 -11.869 323 HB3 LYS 43 HB3 LYS 43 -1.235 -4.390 -11.874 324 HG2 LYS 43 HG2 LYS 43 -3.253 -3.979 -10.004 325 HG3 LYS 43 HG3 LYS 43 -3.544 -2.674 -11.136 326 HD2 LYS 43 HD2 LYS 43 -2.983 -4.988 -12.721 327 HD3 LYS 43 HD3 LYS 43 -4.073 -5.519 -11.456 328 HE2 LYS 43 HE2 LYS 43 -5.773 -3.965 -12.092 329 HE3 LYS 43 HE3 LYS 43 -4.653 -2.963 -12.992 330 HZ1 LYS 43 HZ1 LYS 43 -5.125 -4.175 -14.805 331 HZ2 LYS 43 HZ2 LYS 43 -4.596 -5.545 -14.101 332 H GLU 44 H GLU 44 -0.220 -5.782 -11.016 333 HA GLU 44 HA GLU 44 -1.275 -7.598 -9.462 334 HB2 GLU 44 HB2 GLU 44 1.465 -7.519 -10.746 335 HB3 GLU 44 HB3 GLU 44 0.973 -8.936 -9.840 336 HG2 GLU 44 HG2 GLU 44 0.444 -8.659 -12.476 337 HG3 GLU 44 HG3 GLU 44 -0.604 -9.567 -11.405 338 HE2 GLU 44 HE2 GLU 44 -0.130 -6.510 -12.823 339 H MET 45 H MET 45 1.548 -5.580 -8.587 340 HA MET 45 HA MET 45 2.188 -7.051 -6.284 341 HB2 MET 45 HB2 MET 45 3.406 -5.086 -7.757 342 HB3 MET 45 HB3 MET 45 2.772 -4.094 -6.459 343 HG2 MET 45 HG2 MET 45 4.850 -4.699 -5.563 344 HG3 MET 45 HG3 MET 45 3.832 -5.951 -4.881 345 HE1 MET 45 HE1 MET 45 6.241 -6.594 -4.510 346 HE2 MET 45 HE2 MET 45 6.872 -7.983 -5.427 347 HE3 MET 45 HE3 MET 45 7.395 -6.332 -5.840 348 H ALA 46 H ALA 46 0.545 -3.832 -6.737 349 HA ALA 46 HA ALA 46 -0.073 -3.368 -4.106 350 HB1 ALA 46 HB1 ALA 46 -0.334 -1.719 -5.891 351 HB2 ALA 46 HB2 ALA 46 -1.628 -2.689 -6.634 352 HB3 ALA 46 HB3 ALA 46 -1.885 -1.933 -5.044 353 H HIS 47 H HIS 47 -2.050 -5.099 -6.614 354 HA HIS 47 HA HIS 47 -4.055 -5.773 -4.738 355 HB2 HIS 47 HB2 HIS 47 -3.463 -6.966 -7.461 356 HB3 HIS 47 HB3 HIS 47 -4.946 -7.165 -6.549 357 HD1 HIS 47 HD1 HIS 47 -4.645 -5.786 -9.439 358 HD2 HIS 47 HD2 HIS 47 -5.109 -3.818 -5.764 359 HE1 HIS 47 HE1 HIS 47 -5.616 -3.488 -9.977 360 H GLY 48 H GLY 48 -1.037 -7.272 -5.904 361 HA2 GLY 48 HA2 GLY 48 -1.571 -9.855 -4.799 362 HA3 GLY 48 HA3 GLY 48 -0.044 -9.241 -5.400 363 H LYS 49 H LYS 49 1.421 -9.636 -3.772 364 HA LYS 49 HA LYS 49 0.615 -9.179 -1.032 365 HB2 LYS 49 HB2 LYS 49 3.081 -10.343 -2.339 366 HB3 LYS 49 HB3 LYS 49 3.001 -10.015 -0.620 367 HG2 LYS 49 HG2 LYS 49 0.985 -11.466 -0.419 368 HG3 LYS 49 HG3 LYS 49 1.016 -11.767 -2.145 369 HD2 LYS 49 HD2 LYS 49 3.647 -12.352 -1.145 370 HD3 LYS 49 HD3 LYS 49 2.504 -13.109 -0.053 371 HE2 LYS 49 HE2 LYS 49 2.641 -14.795 -1.640 372 HE3 LYS 49 HE3 LYS 49 1.332 -13.871 -2.349 373 HZ1 LYS 49 HZ1 LYS 49 3.229 -14.422 -3.895 374 HZ2 LYS 49 HZ2 LYS 49 2.847 -12.840 -3.857 375 H GLY 50 H GLY 50 0.481 -6.838 -2.629 376 HA2 GLY 50 HA2 GLY 50 2.870 -5.332 -1.763 377 HA3 GLY 50 HA3 GLY 50 1.824 -4.911 -3.103 378 H CYS 51 H CYS 51 -0.735 -5.025 -2.189 379 HA CYS 51 HA CYS 51 -0.691 -3.316 0.192 380 HB2 CYS 51 HB2 CYS 51 -2.439 -3.018 -2.260 381 HB3 CYS 51 HB3 CYS 51 -2.621 -2.102 -0.777 382 H LYS 52 H LYS 52 -3.441 -4.525 -1.803 383 HA LYS 52 HA LYS 52 -5.039 -5.316 0.210 384 HB2 LYS 52 HB2 LYS 52 -4.693 -6.339 -2.602 385 HB3 LYS 52 HB3 LYS 52 -5.886 -7.056 -1.537 386 HG2 LYS 52 HG2 LYS 52 -6.305 -4.320 -1.153 387 HG3 LYS 52 HG3 LYS 52 -5.891 -4.402 -2.854 388 HD2 LYS 52 HD2 LYS 52 -7.983 -6.216 -1.571 389 HD3 LYS 52 HD3 LYS 52 -8.382 -4.671 -2.297 390 HE2 LYS 52 HE2 LYS 52 -6.782 -6.682 -3.901 391 HE3 LYS 52 HE3 LYS 52 -8.512 -6.905 -3.739 392 HZ1 LYS 52 HZ1 LYS 52 -7.559 -5.427 -5.656 393 HZ2 LYS 52 HZ2 LYS 52 -8.935 -4.970 -4.915 394 H GLY 53 H GLY 53 -2.486 -7.325 -1.392 395 HA2 GLY 53 HA2 GLY 53 -2.715 -9.739 -0.359 396 HA3 GLY 53 HA3 GLY 53 -1.172 -8.909 -0.395 397 H CYS 54 H CYS 54 -0.856 -7.249 1.533 398 HA CYS 54 HA CYS 54 -0.792 -8.704 3.858 399 HB2 CYS 54 HB2 CYS 54 0.544 -6.624 3.259 400 HB3 CYS 54 HB3 CYS 54 -0.852 -5.676 3.730 401 H HIS 55 H HIS 55 -3.171 -6.261 2.645 402 HA HIS 55 HA HIS 55 -4.729 -6.064 4.893 403 HB2 HIS 55 HB2 HIS 55 -5.432 -5.888 1.955 404 HB3 HIS 55 HB3 HIS 55 -6.574 -5.512 3.230 405 HD1 HIS 55 HD1 HIS 55 -6.232 -3.145 1.655 406 HD2 HIS 55 HD2 HIS 55 -3.332 -4.155 4.512 407 HE1 HIS 55 HE1 HIS 55 -4.952 -0.998 2.163 408 H GLU 56 H GLU 56 -5.634 -8.059 1.990 409 HA GLU 56 HA GLU 56 -7.547 -9.498 3.311 410 HB2 GLU 56 HB2 GLU 56 -6.873 -11.266 1.403 411 HB3 GLU 56 HB3 GLU 56 -7.722 -9.778 1.032 412 HG2 GLU 56 HG2 GLU 56 -5.834 -8.753 0.111 413 HG3 GLU 56 HG3 GLU 56 -4.716 -9.655 1.115 414 HE2 GLU 56 HE2 GLU 56 -4.326 -12.270 -0.455 415 H GLU 57 H GLU 57 -4.068 -9.699 3.506 416 HA GLU 57 HA GLU 57 -3.820 -12.387 4.148 417 HB2 GLU 57 HB2 GLU 57 -2.158 -9.986 4.163 418 HB3 GLU 57 HB3 GLU 57 -1.815 -10.972 5.571 419 HG2 GLU 57 HG2 GLU 57 -1.691 -11.817 2.645 420 HG3 GLU 57 HG3 GLU 57 -0.364 -11.739 3.788 421 HE2 GLU 57 HE2 GLU 57 -1.310 -14.017 2.353 422 H MET 58 H MET 58 -4.120 -9.444 6.259 423 HA MET 58 HA MET 58 -4.553 -11.222 8.503 424 HB2 MET 58 HB2 MET 58 -4.228 -8.174 8.321 425 HB3 MET 58 HB3 MET 58 -4.353 -9.066 9.825 426 HG2 MET 58 HG2 MET 58 -2.278 -10.214 8.087 427 HG3 MET 58 HG3 MET 58 -1.982 -8.512 8.383 428 HE1 MET 58 HE1 MET 58 -2.174 -7.409 10.360 429 HE2 MET 58 HE2 MET 58 -2.490 -8.080 11.979 430 HE3 MET 58 HE3 MET 58 -0.817 -7.912 11.396 431 H LYS 59 H LYS 59 -6.421 -10.010 6.085 432 HA LYS 59 HA LYS 59 -8.609 -9.795 5.841 433 HB2 LYS 59 HB2 LYS 59 -8.414 -11.127 8.435 434 HB3 LYS 59 HB3 LYS 59 -9.841 -10.116 8.321 435 HG2 LYS 59 HG2 LYS 59 -9.025 -12.172 6.212 436 HG3 LYS 59 HG3 LYS 59 -10.192 -12.478 7.483 437 HD2 LYS 59 HD2 LYS 59 -11.065 -10.054 6.334 438 HD3 LYS 59 HD3 LYS 59 -10.531 -11.003 4.960 439 HE2 LYS 59 HE2 LYS 59 -12.248 -12.350 7.052 440 HE3 LYS 59 HE3 LYS 59 -13.018 -11.247 5.929 441 HZ1 LYS 59 HZ1 LYS 59 -12.771 -12.728 4.257 442 HZ2 LYS 59 HZ2 LYS 59 -11.228 -13.090 4.630 443 H LYS 60 H LYS 60 -6.566 -7.784 7.365 444 HA LYS 60 HA LYS 60 -8.642 -5.849 8.093 445 HB2 LYS 60 HB2 LYS 60 -5.678 -5.765 8.720 446 HB3 LYS 60 HB3 LYS 60 -6.920 -4.698 9.344 447 HG2 LYS 60 HG2 LYS 60 -7.049 -7.713 9.759 448 HG3 LYS 60 HG3 LYS 60 -6.166 -6.672 10.858 449 HD2 LYS 60 HD2 LYS 60 -8.102 -6.198 11.934 450 HD3 LYS 60 HD3 LYS 60 -8.702 -5.421 10.482 451 HE2 LYS 60 HE2 LYS 60 -10.338 -7.054 10.733 452 HE3 LYS 60 HE3 LYS 60 -9.211 -7.939 9.724 453 HZ1 LYS 60 HZ1 LYS 60 -8.711 -9.324 11.429 454 HZ2 LYS 60 HZ2 LYS 60 -8.628 -8.142 12.546 455 H GLY 61 H GLY 61 -8.091 -3.508 7.474 456 HA2 GLY 61 HA2 GLY 61 -7.477 -1.951 5.947 457 HA3 GLY 61 HA3 GLY 61 -6.406 -3.112 5.189 458 HA PRO 62 HA PRO 62 -10.510 -2.306 2.816 459 HB2 PRO 62 HB2 PRO 62 -9.424 -0.684 0.845 460 HB3 PRO 62 HB3 PRO 62 -10.135 -0.068 2.372 461 HG2 PRO 62 HG2 PRO 62 -7.394 -0.677 1.665 462 HG3 PRO 62 HG3 PRO 62 -7.830 0.873 2.457 463 HD2 PRO 62 HD2 PRO 62 -6.801 -1.058 3.965 464 HD3 PRO 62 HD3 PRO 62 -8.311 -0.289 4.540 465 H THR 63 H THR 63 -10.872 -4.113 1.533 466 HA THR 63 HA THR 63 -8.636 -4.925 -0.208 467 HB THR 63 HB THR 63 -9.260 -7.247 0.278 468 HG1 THR 63 HG1 THR 63 -11.330 -7.551 1.015 469 HG21 THR 63 HG21 THR 63 -8.078 -7.094 2.229 470 HG22 THR 63 HG22 THR 63 -8.566 -5.394 2.435 471 HG23 THR 63 HG23 THR 63 -9.607 -6.700 3.051 472 H LYS 64 H LYS 64 -11.784 -3.674 -0.020 473 HA LYS 64 HA LYS 64 -12.590 -4.949 -2.513 474 HB2 LYS 64 HB2 LYS 64 -14.156 -3.036 -0.760 475 HB3 LYS 64 HB3 LYS 64 -14.773 -4.015 -2.076 476 HG2 LYS 64 HG2 LYS 64 -13.373 -5.764 -0.252 477 HG3 LYS 64 HG3 LYS 64 -14.444 -4.749 0.693 478 HD2 LYS 64 HD2 LYS 64 -16.113 -5.403 -1.391 479 HD3 LYS 64 HD3 LYS 64 -15.109 -6.838 -1.340 480 HE2 LYS 64 HE2 LYS 64 -16.384 -7.579 0.386 481 HE3 LYS 64 HE3 LYS 64 -15.682 -6.315 1.375 482 HZ1 LYS 64 HZ1 LYS 64 -18.297 -6.468 0.834 483 HZ2 LYS 64 HZ2 LYS 64 -17.560 -5.063 1.204 484 H CYS 65 H CYS 65 -13.329 -3.599 -4.338 485 HA CYS 65 HA CYS 65 -11.421 -1.596 -4.879 486 HB2 CYS 65 HB2 CYS 65 -13.872 -1.798 -6.547 487 HB3 CYS 65 HB3 CYS 65 -12.193 -1.633 -7.020 488 H GLY 66 H GLY 66 -11.995 0.705 -5.464 489 HA2 GLY 66 HA2 GLY 66 -13.277 2.605 -5.286 490 HA3 GLY 66 HA3 GLY 66 -14.494 1.727 -4.381 491 H GLU 67 H GLU 67 -12.590 0.501 -2.455 492 HA GLU 67 HA GLU 67 -12.546 2.662 -0.644 493 HB2 GLU 67 HB2 GLU 67 -12.628 -0.104 -0.438 494 HB3 GLU 67 HB3 GLU 67 -10.993 0.244 0.086 495 HG2 GLU 67 HG2 GLU 67 -11.901 1.943 1.711 496 HG3 GLU 67 HG3 GLU 67 -13.528 1.524 1.213 497 HE2 GLU 67 HE2 GLU 67 -12.852 -0.425 4.137 498 H CYS 68 H CYS 68 -10.346 1.424 -3.029 499 HA CYS 68 HA CYS 68 -8.143 2.849 -1.728 500 HB2 CYS 68 HB2 CYS 68 -8.268 0.278 -3.088 501 HB3 CYS 68 HB3 CYS 68 -7.082 1.328 -3.837 502 H HIS 69 H HIS 69 -9.802 2.108 -4.871 503 HA HIS 69 HA HIS 69 -8.491 4.374 -6.092 504 HB2 HIS 69 HB2 HIS 69 -10.467 2.368 -7.213 505 HB3 HIS 69 HB3 HIS 69 -9.642 3.605 -8.140 506 HD1 HIS 69 HD1 HIS 69 -6.869 3.393 -8.052 507 HD2 HIS 69 HD2 HIS 69 -9.120 -0.014 -7.094 508 HE1 HIS 69 HE1 HIS 69 -5.289 1.403 -8.287 509 H LYS 70 H LYS 70 -9.290 6.323 -5.407 510 HA LYS 70 HA LYS 70 -12.217 6.587 -5.456 511 HB2 LYS 70 HB2 LYS 70 -10.148 7.818 -3.631 512 HB3 LYS 70 HB3 LYS 70 -11.738 8.524 -3.831 513 HG2 LYS 70 HG2 LYS 70 -12.365 5.847 -3.438 514 HG3 LYS 70 HG3 LYS 70 -10.943 6.027 -2.429 515 HD2 LYS 70 HD2 LYS 70 -12.876 8.271 -2.179 516 HD3 LYS 70 HD3 LYS 70 -13.528 6.721 -1.685 517 HE2 LYS 70 HE2 LYS 70 -11.558 6.378 -0.172 518 HE3 LYS 70 HE3 LYS 70 -10.914 7.932 -0.661 519 HZ1 LYS 70 HZ1 LYS 70 -13.342 8.679 0.102 520 HZ2 LYS 70 HZ2 LYS 70 -13.197 7.376 1.067 521 H LYS 71 H LYS 71 -12.919 7.693 -7.194 522 HA LYS 71 HA LYS 71 -11.042 9.314 -8.658 523 HB2 LYS 71 HB2 LYS 71 -12.965 7.679 -9.496 524 HB3 LYS 71 HB3 LYS 71 -13.946 9.125 -9.363 525 HG2 LYS 71 HG2 LYS 71 -12.930 10.135 -11.152 526 HG3 LYS 71 HG3 LYS 71 -11.329 9.621 -10.660 527 HD2 LYS 71 HD2 LYS 71 -11.762 8.478 -12.723 528 HD3 LYS 71 HD3 LYS 71 -11.942 7.266 -11.470 529 HE2 LYS 71 HE2 LYS 71 -14.144 6.942 -11.962 530 HE3 LYS 71 HE3 LYS 71 -14.481 8.661 -11.941 531 HZ1 LYS 71 HZ1 LYS 71 -14.799 7.660 -14.161 532 HZ2 LYS 71 HZ2 LYS 71 -13.657 8.821 -14.211 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 7.151 13.332 3.758 2 HA ALA 1 HA ALA 1 6.472 13.160 5.858 3 HB1 ALA 1 HB1 ALA 1 3.601 13.611 5.302 4 HB2 ALA 1 HB2 ALA 1 4.731 14.543 6.313 5 HB3 ALA 1 HB3 ALA 1 4.691 14.802 4.553 6 H ASP 2 H ASP 2 3.581 11.882 4.055 7 HA ASP 2 HA ASP 2 4.195 9.237 4.752 8 HB2 ASP 2 HB2 ASP 2 1.605 9.821 6.024 9 HB3 ASP 2 HB3 ASP 2 2.943 8.863 6.625 10 HD2 ASP 2 HD2 ASP 2 2.916 12.788 7.465 11 H ASP 3 H ASP 3 1.704 11.742 3.990 12 HA ASP 3 HA ASP 3 -0.060 10.000 2.720 13 HB2 ASP 3 HB2 ASP 3 0.069 12.807 1.724 14 HB3 ASP 3 HB3 ASP 3 -1.307 11.904 2.326 15 HD2 ASP 3 HD2 ASP 3 1.236 14.088 4.229 16 H ILE 4 H ILE 4 0.346 8.921 0.785 17 HA ILE 4 HA ILE 4 1.915 10.360 -1.232 18 HB ILE 4 HB ILE 4 2.186 7.446 -0.482 19 HG12 ILE 4 HG12 ILE 4 3.954 9.850 0.002 20 HG13 ILE 4 HG13 ILE 4 3.284 8.742 1.183 21 HG21 ILE 4 HG21 ILE 4 2.381 8.123 -2.959 22 HG22 ILE 4 HG22 ILE 4 3.892 8.928 -2.474 23 HG23 ILE 4 HG23 ILE 4 3.701 7.175 -2.234 24 HD11 ILE 4 HD11 ILE 4 4.665 7.012 -0.496 25 HD12 ILE 4 HD12 ILE 4 5.699 8.462 -0.499 26 HD13 ILE 4 HD13 ILE 4 5.287 7.665 1.039 27 H VAL 5 H VAL 5 0.942 10.473 -3.198 28 HA VAL 5 HA VAL 5 -1.546 8.967 -3.474 29 HB VAL 5 HB VAL 5 -0.432 11.378 -4.920 30 HG11 VAL 5 HG11 VAL 5 -2.373 9.507 -5.815 31 HG12 VAL 5 HG12 VAL 5 -3.247 10.985 -5.346 32 HG13 VAL 5 HG13 VAL 5 -1.931 11.071 -6.541 33 HG21 VAL 5 HG21 VAL 5 -2.137 11.006 -2.544 34 HG22 VAL 5 HG22 VAL 5 -1.176 12.412 -3.063 35 HG23 VAL 5 HG23 VAL 5 -2.794 12.137 -3.751 36 H LEU 6 H LEU 6 -1.593 7.162 -4.702 37 HA LEU 6 HA LEU 6 0.673 6.726 -6.493 38 HB2 LEU 6 HB2 LEU 6 -1.385 4.828 -5.358 39 HB3 LEU 6 HB3 LEU 6 -0.107 4.374 -6.468 40 HG LEU 6 HG LEU 6 0.432 5.619 -3.763 41 HD11 LEU 6 HD11 LEU 6 -0.745 3.145 -4.137 42 HD12 LEU 6 HD12 LEU 6 0.987 2.760 -3.990 43 HD13 LEU 6 HD13 LEU 6 0.166 3.676 -2.703 44 HD21 LEU 6 HD21 LEU 6 2.189 4.133 -5.733 45 HD22 LEU 6 HD22 LEU 6 2.280 5.853 -5.284 46 HD23 LEU 6 HD23 LEU 6 2.675 4.598 -4.085 47 H LYS 7 H LYS 7 0.193 7.874 -8.357 48 HA LYS 7 HA LYS 7 -2.275 8.270 -9.451 49 HB2 LYS 7 HB2 LYS 7 -1.099 8.732 -11.534 50 HB3 LYS 7 HB3 LYS 7 -0.241 9.418 -10.169 51 HG2 LYS 7 HG2 LYS 7 0.548 6.629 -10.920 52 HG3 LYS 7 HG3 LYS 7 0.950 7.870 -12.091 53 HD2 LYS 7 HD2 LYS 7 2.789 8.297 -10.825 54 HD3 LYS 7 HD3 LYS 7 1.705 9.055 -9.675 55 HE2 LYS 7 HE2 LYS 7 2.574 7.507 -8.217 56 HE3 LYS 7 HE3 LYS 7 1.382 6.443 -8.935 57 HZ1 LYS 7 HZ1 LYS 7 3.477 6.255 -10.657 58 HZ2 LYS 7 HZ2 LYS 7 4.244 6.381 -9.226 59 H ALA 8 H ALA 8 -3.721 7.125 -10.698 60 HA ALA 8 HA ALA 8 -2.888 4.539 -11.725 61 HB1 ALA 8 HB1 ALA 8 -4.078 3.271 -10.283 62 HB2 ALA 8 HB2 ALA 8 -4.099 4.705 -9.228 63 HB3 ALA 8 HB3 ALA 8 -5.466 4.384 -10.321 64 H LYS 9 H LYS 9 -4.053 3.936 -13.573 65 HA LYS 9 HA LYS 9 -5.543 6.075 -14.769 66 HB2 LYS 9 HB2 LYS 9 -5.468 4.736 -16.765 67 HB3 LYS 9 HB3 LYS 9 -3.883 4.729 -16.018 68 HG2 LYS 9 HG2 LYS 9 -4.060 2.491 -15.319 69 HG3 LYS 9 HG3 LYS 9 -5.811 2.531 -15.266 70 HD2 LYS 9 HD2 LYS 9 -6.036 2.211 -17.583 71 HD3 LYS 9 HD3 LYS 9 -4.470 2.910 -17.944 72 HE2 LYS 9 HE2 LYS 9 -3.685 0.750 -16.442 73 HE3 LYS 9 HE3 LYS 9 -5.160 0.111 -17.139 74 HZ1 LYS 9 HZ1 LYS 9 -3.025 1.377 -18.768 75 HZ2 LYS 9 HZ2 LYS 9 -3.142 -0.231 -18.542 76 H ASN 10 H ASN 10 -6.363 3.986 -12.396 77 HA ASN 10 HA ASN 10 -9.082 3.824 -13.423 78 HB2 ASN 10 HB2 ASN 10 -7.513 1.591 -13.059 79 HB3 ASN 10 HB3 ASN 10 -8.199 1.736 -11.452 80 HD21 ASN 10 HD21 ASN 10 -9.779 0.346 -11.263 81 HD22 ASN 10 HD22 ASN 10 -11.073 0.070 -12.380 82 H GLY 11 H GLY 11 -7.657 5.833 -11.718 83 HA2 GLY 11 HA2 GLY 11 -8.736 7.062 -10.008 84 HA3 GLY 11 HA3 GLY 11 -9.309 5.568 -9.293 85 H ASP 12 H ASP 12 -7.155 8.038 -8.831 86 HA ASP 12 HA ASP 12 -4.772 6.818 -8.260 87 HB2 ASP 12 HB2 ASP 12 -4.281 8.792 -6.918 88 HB3 ASP 12 HB3 ASP 12 -5.206 9.292 -8.320 89 HD2 ASP 12 HD2 ASP 12 -5.163 9.972 -5.044 90 H VAL 13 H VAL 13 -3.837 6.305 -6.045 91 HA VAL 13 HA VAL 13 -5.936 5.400 -4.195 92 HB VAL 13 HB VAL 13 -3.274 4.106 -4.822 93 HG11 VAL 13 HG11 VAL 13 -3.889 3.767 -2.494 94 HG12 VAL 13 HG12 VAL 13 -5.524 3.249 -2.970 95 HG13 VAL 13 HG13 VAL 13 -4.114 2.252 -3.402 96 HG21 VAL 13 HG21 VAL 13 -5.208 2.263 -5.434 97 HG22 VAL 13 HG22 VAL 13 -5.978 3.782 -5.954 98 HG23 VAL 13 HG23 VAL 13 -4.391 3.317 -6.613 99 H LYS 14 H LYS 14 -5.886 6.396 -2.250 100 HA LYS 14 HA LYS 14 -3.564 8.017 -1.638 101 HB2 LYS 14 HB2 LYS 14 -5.979 8.816 -1.488 102 HB3 LYS 14 HB3 LYS 14 -6.148 7.790 -0.079 103 HG2 LYS 14 HG2 LYS 14 -4.020 9.961 -0.380 104 HG3 LYS 14 HG3 LYS 14 -5.532 10.175 0.478 105 HD2 LYS 14 HD2 LYS 14 -4.571 7.841 1.632 106 HD3 LYS 14 HD3 LYS 14 -3.082 8.704 1.302 107 HE2 LYS 14 HE2 LYS 14 -3.485 9.811 3.257 108 HE3 LYS 14 HE3 LYS 14 -4.668 10.729 2.346 109 HZ1 LYS 14 HZ1 LYS 14 -6.078 9.889 3.897 110 HZ2 LYS 14 HZ2 LYS 14 -6.084 8.537 2.989 111 H PHE 15 H PHE 15 -1.865 7.023 -0.688 112 HA PHE 15 HA PHE 15 -2.496 4.916 1.251 113 HB2 PHE 15 HB2 PHE 15 -1.107 4.286 -0.744 114 HB3 PHE 15 HB3 PHE 15 -0.020 5.625 -0.434 115 HD1 PHE 15 HD1 PHE 15 -1.417 2.793 1.577 116 HD2 PHE 15 HD2 PHE 15 2.019 4.986 0.398 117 HE1 PHE 15 HE1 PHE 15 0.021 1.300 2.992 118 HE2 PHE 15 HE2 PHE 15 3.458 3.492 1.812 119 HZ PHE 15 HZ PHE 15 2.441 1.667 3.093 120 HA PRO 16 HA PRO 16 -0.870 7.797 4.222 121 HB2 PRO 16 HB2 PRO 16 -1.773 6.485 6.431 122 HB3 PRO 16 HB3 PRO 16 -2.894 7.307 5.298 123 HG2 PRO 16 HG2 PRO 16 -2.525 4.174 5.454 124 HG3 PRO 16 HG3 PRO 16 -3.699 5.510 5.215 125 HD2 PRO 16 HD2 PRO 16 -2.048 4.050 3.230 126 HD3 PRO 16 HD3 PRO 16 -3.378 5.214 2.943 127 H HIS 17 H HIS 17 1.429 7.441 3.845 128 HA HIS 17 HA HIS 17 2.573 4.994 4.780 129 HB2 HIS 17 HB2 HIS 17 3.418 6.186 2.794 130 HB3 HIS 17 HB3 HIS 17 3.865 7.553 3.795 131 HD1 HIS 17 HD1 HIS 17 5.796 7.059 5.652 132 HD2 HIS 17 HD2 HIS 17 5.317 4.188 2.631 133 HE1 HIS 17 HE1 HIS 17 7.920 5.646 5.666 134 H LYS 18 H LYS 18 1.182 5.889 6.915 135 HA LYS 18 HA LYS 18 3.331 6.695 8.709 136 HB2 LYS 18 HB2 LYS 18 2.455 8.809 8.527 137 HB3 LYS 18 HB3 LYS 18 0.838 8.244 8.158 138 HG2 LYS 18 HG2 LYS 18 0.242 8.066 10.376 139 HG3 LYS 18 HG3 LYS 18 1.814 7.463 10.861 140 HD2 LYS 18 HD2 LYS 18 2.774 9.706 10.837 141 HD3 LYS 18 HD3 LYS 18 1.343 10.373 10.077 142 HE2 LYS 18 HE2 LYS 18 -0.003 9.717 12.116 143 HE3 LYS 18 HE3 LYS 18 1.472 9.154 12.877 144 HZ1 LYS 18 HZ1 LYS 18 0.548 11.711 12.981 145 HZ2 LYS 18 HZ2 LYS 18 2.074 11.268 13.338 146 H ALA 19 H ALA 19 -0.254 6.084 8.802 147 HA ALA 19 HA ALA 19 -0.227 4.750 11.213 148 HB1 ALA 19 HB1 ALA 19 -2.086 4.248 8.856 149 HB2 ALA 19 HB2 ALA 19 -2.443 4.003 10.583 150 HB3 ALA 19 HB3 ALA 19 -2.210 5.649 9.947 151 H HIS 20 H HIS 20 0.854 3.732 8.028 152 HA HIS 20 HA HIS 20 0.655 0.945 8.608 153 HB2 HIS 20 HB2 HIS 20 1.821 2.600 6.381 154 HB3 HIS 20 HB3 HIS 20 2.198 0.892 6.497 155 HD1 HIS 20 HD1 HIS 20 -0.660 3.263 5.815 156 HD2 HIS 20 HD2 HIS 20 0.089 -0.865 5.847 157 HE1 HIS 20 HE1 HIS 20 -2.671 2.162 4.694 158 H GLN 21 H GLN 21 2.500 3.326 9.961 159 HA GLN 21 HA GLN 21 4.945 1.787 9.956 160 HB2 GLN 21 HB2 GLN 21 4.256 4.536 11.078 161 HB3 GLN 21 HB3 GLN 21 5.830 3.787 11.257 162 HG2 GLN 21 HG2 GLN 21 6.278 3.862 8.918 163 HG3 GLN 21 HG3 GLN 21 4.587 4.050 8.501 164 HE21 GLN 21 HE21 GLN 21 6.576 5.687 7.507 165 HE22 GLN 21 HE22 GLN 21 6.381 7.303 8.100 166 H LYS 22 H LYS 22 2.587 3.239 12.310 167 HA LYS 22 HA LYS 22 3.737 1.943 14.537 168 HB2 LYS 22 HB2 LYS 22 1.104 3.343 14.049 169 HB3 LYS 22 HB3 LYS 22 1.491 2.604 15.589 170 HG2 LYS 22 HG2 LYS 22 3.631 4.351 14.448 171 HG3 LYS 22 HG3 LYS 22 2.158 5.183 14.905 172 HD2 LYS 22 HD2 LYS 22 2.646 3.408 17.051 173 HD3 LYS 22 HD3 LYS 22 4.235 4.006 16.618 174 HE2 LYS 22 HE2 LYS 22 3.794 5.993 17.618 175 HE3 LYS 22 HE3 LYS 22 2.419 6.247 16.561 176 HZ1 LYS 22 HZ1 LYS 22 2.358 5.613 19.283 177 HZ2 LYS 22 HZ2 LYS 22 1.080 5.832 18.297 178 H ALA 23 H ALA 23 1.472 0.985 12.010 179 HA ALA 23 HA ALA 23 0.472 -1.251 13.524 180 HB1 ALA 23 HB1 ALA 23 0.156 -0.968 10.549 181 HB2 ALA 23 HB2 ALA 23 -1.021 -1.502 11.773 182 HB3 ALA 23 HB3 ALA 23 -0.634 0.228 11.605 183 H VAL 24 H VAL 24 3.095 -0.489 11.271 184 HA VAL 24 HA VAL 24 4.027 -3.236 11.587 185 HB VAL 24 HB VAL 24 3.852 -1.773 8.945 186 HG11 VAL 24 HG11 VAL 24 5.426 -4.077 9.864 187 HG12 VAL 24 HG12 VAL 24 4.456 -4.412 8.410 188 HG13 VAL 24 HG13 VAL 24 5.615 -3.062 8.415 189 HG21 VAL 24 HG21 VAL 24 1.663 -2.544 9.494 190 HG22 VAL 24 HG22 VAL 24 2.342 -3.713 8.336 191 HG23 VAL 24 HG23 VAL 24 2.284 -4.110 10.070 192 HA PRO 25 HA PRO 25 6.842 0.341 12.860 193 HB2 PRO 25 HB2 PRO 25 7.556 -2.113 14.530 194 HB3 PRO 25 HB3 PRO 25 7.604 -0.370 14.950 195 HG2 PRO 25 HG2 PRO 25 5.213 -1.765 15.741 196 HG3 PRO 25 HG3 PRO 25 5.576 -0.182 14.979 197 HD2 PRO 25 HD2 PRO 25 4.671 -2.813 13.667 198 HD3 PRO 25 HD3 PRO 25 3.909 -1.199 13.541 199 H ASP 26 H ASP 26 7.176 -3.052 11.737 200 HA ASP 26 HA ASP 26 9.965 -2.779 11.327 201 HB2 ASP 26 HB2 ASP 26 8.915 -4.982 11.717 202 HB3 ASP 26 HB3 ASP 26 7.915 -4.791 10.291 203 HD2 ASP 26 HD2 ASP 26 9.539 -6.916 10.665 204 H CYS 27 H CYS 27 10.849 -1.637 9.599 205 HA CYS 27 HA CYS 27 9.107 -0.915 7.416 206 HB2 CYS 27 HB2 CYS 27 11.996 -0.138 7.587 207 HB3 CYS 27 HB3 CYS 27 10.653 0.721 6.859 208 H LYS 28 H LYS 28 11.459 -3.319 8.298 209 HA LYS 28 HA LYS 28 12.457 -3.799 5.670 210 HB2 LYS 28 HB2 LYS 28 12.590 -5.394 8.244 211 HB3 LYS 28 HB3 LYS 28 13.389 -5.865 6.757 212 HG2 LYS 28 HG2 LYS 28 13.950 -3.058 7.356 213 HG3 LYS 28 HG3 LYS 28 14.356 -4.062 8.734 214 HD2 LYS 28 HD2 LYS 28 15.240 -5.319 6.235 215 HD3 LYS 28 HD3 LYS 28 15.893 -3.699 6.382 216 HE2 LYS 28 HE2 LYS 28 16.712 -4.264 8.698 217 HE3 LYS 28 HE3 LYS 28 16.105 -5.895 8.498 218 HZ1 LYS 28 HZ1 LYS 28 18.581 -5.157 7.803 219 HZ2 LYS 28 HZ2 LYS 28 17.818 -6.419 7.112 220 H LYS 29 H LYS 29 9.418 -4.172 7.034 221 HA LYS 29 HA LYS 29 8.748 -6.755 6.118 222 HB2 LYS 29 HB2 LYS 29 7.367 -4.412 7.279 223 HB3 LYS 29 HB3 LYS 29 6.374 -5.403 6.229 224 HG2 LYS 29 HG2 LYS 29 8.089 -6.579 8.461 225 HG3 LYS 29 HG3 LYS 29 6.426 -6.086 8.707 226 HD2 LYS 29 HD2 LYS 29 6.441 -7.688 6.335 227 HD3 LYS 29 HD3 LYS 29 7.442 -8.531 7.501 228 HE2 LYS 29 HE2 LYS 29 4.662 -7.464 8.171 229 HE3 LYS 29 HE3 LYS 29 4.939 -9.090 7.579 230 HZ1 LYS 29 HZ1 LYS 29 4.917 -9.044 10.005 231 HZ2 LYS 29 HZ2 LYS 29 6.407 -9.467 9.503 232 H CYS 30 H CYS 30 8.144 -3.437 4.768 233 HA CYS 30 HA CYS 30 7.405 -4.692 2.261 234 HB2 CYS 30 HB2 CYS 30 7.403 -1.725 2.850 235 HB3 CYS 30 HB3 CYS 30 6.519 -2.586 1.605 236 H HIS 31 H HIS 31 9.673 -2.175 3.593 237 HA HIS 31 HA HIS 31 11.137 -2.011 1.181 238 HB2 HIS 31 HB2 HIS 31 11.801 -1.103 3.995 239 HB3 HIS 31 HB3 HIS 31 12.732 -0.692 2.569 240 HD1 HIS 31 HD1 HIS 31 11.050 0.477 0.569 241 HD2 HIS 31 HD2 HIS 31 9.994 0.836 4.613 242 HE1 HIS 31 HE1 HIS 31 9.443 2.454 0.715 243 H GLU 32 H GLU 32 12.403 -3.602 0.374 244 HA GLU 32 HA GLU 32 13.507 -5.491 2.264 245 HB2 GLU 32 HB2 GLU 32 12.441 -5.679 -0.382 246 HB3 GLU 32 HB3 GLU 32 14.139 -6.099 -0.501 247 HG2 GLU 32 HG2 GLU 32 13.499 -7.503 1.751 248 HG3 GLU 32 HG3 GLU 32 11.931 -7.499 0.969 249 HE2 GLU 32 HE2 GLU 32 12.964 -10.128 -0.991 250 H LYS 33 H LYS 33 14.507 -3.290 -0.432 251 HA LYS 33 HA LYS 33 17.290 -3.729 0.285 252 HB2 LYS 33 HB2 LYS 33 15.982 -2.244 -2.011 253 HB3 LYS 33 HB3 LYS 33 17.713 -2.336 -1.756 254 HG2 LYS 33 HG2 LYS 33 16.997 -5.005 -1.555 255 HG3 LYS 33 HG3 LYS 33 15.829 -4.427 -2.727 256 HD2 LYS 33 HD2 LYS 33 17.408 -4.294 -4.355 257 HD3 LYS 33 HD3 LYS 33 18.462 -3.329 -3.340 258 HE2 LYS 33 HE2 LYS 33 19.453 -5.296 -2.329 259 HE3 LYS 33 HE3 LYS 33 18.218 -6.348 -2.991 260 HZ1 LYS 33 HZ1 LYS 33 20.374 -6.332 -4.249 261 HZ2 LYS 33 HZ2 LYS 33 19.082 -6.002 -5.184 262 H GLY 34 H GLY 34 15.285 -2.358 2.086 263 HA2 GLY 34 HA2 GLY 34 15.805 -0.748 3.675 264 HA3 GLY 34 HA3 GLY 34 16.910 0.028 2.559 265 HA PRO 35 HA PRO 35 12.716 2.250 2.891 266 HB2 PRO 35 HB2 PRO 35 13.842 4.655 3.688 267 HB3 PRO 35 HB3 PRO 35 13.326 3.366 4.823 268 HG2 PRO 35 HG2 PRO 35 15.880 3.868 3.658 269 HG3 PRO 35 HG3 PRO 35 15.823 3.612 5.433 270 HD2 PRO 35 HD2 PRO 35 16.552 1.537 4.047 271 HD3 PRO 35 HD3 PRO 35 15.094 1.270 5.050 272 H GLY 36 H GLY 36 11.950 3.498 1.124 273 HA2 GLY 36 HA2 GLY 36 12.863 5.372 -0.379 274 HA3 GLY 36 HA3 GLY 36 13.999 4.140 -0.891 275 H LYS 37 H LYS 37 12.962 4.563 -3.067 276 HA LYS 37 HA LYS 37 10.261 3.795 -3.454 277 HB2 LYS 37 HB2 LYS 37 11.933 5.322 -4.853 278 HB3 LYS 37 HB3 LYS 37 12.250 3.815 -5.690 279 HG2 LYS 37 HG2 LYS 37 9.362 4.389 -5.198 280 HG3 LYS 37 HG3 LYS 37 10.159 5.511 -6.282 281 HD2 LYS 37 HD2 LYS 37 10.889 2.713 -6.861 282 HD3 LYS 37 HD3 LYS 37 9.159 2.972 -6.960 283 HE2 LYS 37 HE2 LYS 37 10.742 5.135 -8.235 284 HE3 LYS 37 HE3 LYS 37 10.996 3.565 -8.971 285 HZ1 LYS 37 HZ1 LYS 37 9.113 4.401 -10.055 286 HZ2 LYS 37 HZ2 LYS 37 8.433 3.428 -8.941 287 H ILE 38 H ILE 38 9.422 1.883 -4.443 288 HA ILE 38 HA ILE 38 11.190 -0.415 -4.023 289 HB ILE 38 HB ILE 38 8.178 -0.206 -4.096 290 HG12 ILE 38 HG12 ILE 38 10.013 -0.798 -1.758 291 HG13 ILE 38 HG13 ILE 38 9.333 0.781 -2.095 292 HG21 ILE 38 HG21 ILE 38 8.339 -2.354 -4.757 293 HG22 ILE 38 HG22 ILE 38 10.021 -2.520 -4.197 294 HG23 ILE 38 HG23 ILE 38 8.679 -2.638 -3.033 295 HD11 ILE 38 HD11 ILE 38 7.090 -0.865 -2.240 296 HD12 ILE 38 HD12 ILE 38 8.044 -1.605 -0.932 297 HD13 ILE 38 HD13 ILE 38 7.568 0.107 -0.827 298 H GLU 39 H GLU 39 12.057 -1.362 -5.781 299 HA GLU 39 HA GLU 39 11.044 -0.592 -8.341 300 HB2 GLU 39 HB2 GLU 39 13.417 -2.238 -7.402 301 HB3 GLU 39 HB3 GLU 39 12.994 -2.147 -9.101 302 HG2 GLU 39 HG2 GLU 39 12.916 0.539 -8.175 303 HG3 GLU 39 HG3 GLU 39 14.339 -0.159 -7.427 304 HE2 GLU 39 HE2 GLU 39 15.124 1.042 -10.842 305 H GLY 40 H GLY 40 9.787 -1.828 -9.718 306 HA2 GLY 40 HA2 GLY 40 9.151 -3.945 -10.588 307 HA3 GLY 40 HA3 GLY 40 9.378 -4.660 -9.004 308 H PHE 41 H PHE 41 8.071 -2.602 -7.413 309 HA PHE 41 HA PHE 41 5.614 -3.463 -7.087 310 HB2 PHE 41 HB2 PHE 41 6.835 -1.535 -5.925 311 HB3 PHE 41 HB3 PHE 41 6.445 -0.505 -7.288 312 HD1 PHE 41 HD1 PHE 41 4.142 0.251 -7.657 313 HD2 PHE 41 HD2 PHE 41 5.160 -2.117 -4.285 314 HE1 PHE 41 HE1 PHE 41 1.973 0.880 -6.561 315 HE2 PHE 41 HE2 PHE 41 2.990 -1.488 -3.190 316 HZ PHE 41 HZ PHE 41 1.423 0.003 -4.341 317 H GLY 42 H GLY 42 3.441 -2.969 -7.792 318 HA2 GLY 42 HA2 GLY 42 2.785 -1.237 -9.873 319 HA3 GLY 42 HA3 GLY 42 3.163 -2.788 -10.597 320 H LYS 43 H LYS 43 0.847 -2.839 -11.241 321 HA LYS 43 HA LYS 43 -1.229 -2.799 -9.398 322 HB2 LYS 43 HB2 LYS 43 -1.294 -2.656 -11.953 323 HB3 LYS 43 HB3 LYS 43 -1.201 -4.405 -11.959 324 HG2 LYS 43 HG2 LYS 43 -3.195 -3.963 -10.078 325 HG3 LYS 43 HG3 LYS 43 -3.462 -2.634 -11.189 326 HD2 LYS 43 HD2 LYS 43 -2.983 -4.906 -12.836 327 HD3 LYS 43 HD3 LYS 43 -4.031 -5.478 -11.552 328 HE2 LYS 43 HE2 LYS 43 -5.700 -3.772 -12.036 329 HE3 LYS 43 HE3 LYS 43 -4.613 -2.925 -13.118 330 HZ1 LYS 43 HZ1 LYS 43 -5.323 -4.242 -14.773 331 HZ2 LYS 43 HZ2 LYS 43 -4.839 -5.589 -13.998 332 H GLU 44 H GLU 44 -0.187 -5.817 -11.104 333 HA GLU 44 HA GLU 44 -1.279 -7.615 -9.552 334 HB2 GLU 44 HB2 GLU 44 1.467 -7.585 -10.827 335 HB3 GLU 44 HB3 GLU 44 0.942 -8.994 -9.926 336 HG2 GLU 44 HG2 GLU 44 0.429 -8.690 -12.566 337 HG3 GLU 44 HG3 GLU 44 -0.631 -9.595 -11.503 338 HE2 GLU 44 HE2 GLU 44 -0.113 -6.548 -12.909 339 H MET 45 H MET 45 1.580 -5.649 -8.671 340 HA MET 45 HA MET 45 2.180 -7.133 -6.363 341 HB2 MET 45 HB2 MET 45 3.372 -5.099 -7.854 342 HB3 MET 45 HB3 MET 45 2.871 -4.220 -6.423 343 HG2 MET 45 HG2 MET 45 4.488 -6.812 -6.336 344 HG3 MET 45 HG3 MET 45 5.208 -5.216 -6.277 345 HE1 MET 45 HE1 MET 45 5.486 -6.524 -2.608 346 HE2 MET 45 HE2 MET 45 5.913 -7.121 -4.230 347 HE3 MET 45 HE3 MET 45 6.309 -5.449 -3.764 348 H ALA 46 H ALA 46 0.589 -3.893 -6.846 349 HA ALA 46 HA ALA 46 -0.016 -3.394 -4.215 350 HB1 ALA 46 HB1 ALA 46 -2.079 -2.620 -6.199 351 HB2 ALA 46 HB2 ALA 46 -1.114 -1.609 -5.096 352 HB3 ALA 46 HB3 ALA 46 -0.414 -2.167 -6.635 353 H HIS 47 H HIS 47 -2.027 -5.104 -6.711 354 HA HIS 47 HA HIS 47 -4.040 -5.731 -4.828 355 HB2 HIS 47 HB2 HIS 47 -3.474 -6.947 -7.547 356 HB3 HIS 47 HB3 HIS 47 -4.958 -7.120 -6.631 357 HD1 HIS 47 HD1 HIS 47 -4.616 -5.747 -9.530 358 HD2 HIS 47 HD2 HIS 47 -5.092 -3.776 -5.858 359 HE1 HIS 47 HE1 HIS 47 -5.559 -3.440 -10.074 360 H GLY 48 H GLY 48 -1.054 -7.294 -5.994 361 HA2 GLY 48 HA2 GLY 48 -1.625 -9.865 -4.897 362 HA3 GLY 48 HA3 GLY 48 -0.081 -9.262 -5.464 363 H LYS 49 H LYS 49 1.357 -9.659 -3.815 364 HA LYS 49 HA LYS 49 0.498 -9.217 -1.087 365 HB2 LYS 49 HB2 LYS 49 2.522 -10.325 -0.461 366 HB3 LYS 49 HB3 LYS 49 1.786 -11.241 -1.760 367 HG2 LYS 49 HG2 LYS 49 3.343 -9.635 -3.276 368 HG3 LYS 49 HG3 LYS 49 4.282 -9.555 -1.798 369 HD2 LYS 49 HD2 LYS 49 3.434 -12.311 -2.428 370 HD3 LYS 49 HD3 LYS 49 4.386 -11.602 -3.718 371 HE2 LYS 49 HE2 LYS 49 6.291 -11.854 -2.511 372 HE3 LYS 49 HE3 LYS 49 5.625 -10.908 -1.195 373 HZ1 LYS 49 HZ1 LYS 49 5.563 -13.824 -1.544 374 HZ2 LYS 49 HZ2 LYS 49 5.910 -12.966 -0.205 375 H GLY 50 H GLY 50 0.438 -6.872 -2.703 376 HA2 GLY 50 HA2 GLY 50 2.826 -5.397 -1.788 377 HA3 GLY 50 HA3 GLY 50 1.792 -4.952 -3.132 378 H CYS 51 H CYS 51 -0.770 -5.028 -2.244 379 HA CYS 51 HA CYS 51 -0.723 -3.353 0.161 380 HB2 CYS 51 HB2 CYS 51 -2.431 -2.986 -2.310 381 HB3 CYS 51 HB3 CYS 51 -2.621 -2.091 -0.815 382 H LYS 52 H LYS 52 -3.470 -4.481 -1.886 383 HA LYS 52 HA LYS 52 -5.115 -5.266 0.087 384 HB2 LYS 52 HB2 LYS 52 -4.731 -6.240 -2.732 385 HB3 LYS 52 HB3 LYS 52 -5.925 -7.003 -1.702 386 HG2 LYS 52 HG2 LYS 52 -6.337 -4.248 -1.273 387 HG3 LYS 52 HG3 LYS 52 -5.989 -4.353 -2.988 388 HD2 LYS 52 HD2 LYS 52 -8.013 -6.179 -1.621 389 HD3 LYS 52 HD3 LYS 52 -8.460 -4.626 -2.298 390 HE2 LYS 52 HE2 LYS 52 -8.523 -5.490 -4.397 391 HE3 LYS 52 HE3 LYS 52 -6.879 -6.081 -4.254 392 HZ1 LYS 52 HZ1 LYS 52 -7.979 -8.068 -4.389 393 HZ2 LYS 52 HZ2 LYS 52 -8.127 -7.894 -2.776 394 H GLY 53 H GLY 53 -2.550 -7.295 -1.468 395 HA2 GLY 53 HA2 GLY 53 -2.841 -9.716 -0.457 396 HA3 GLY 53 HA3 GLY 53 -1.286 -8.909 -0.457 397 H CYS 54 H CYS 54 -0.927 -7.315 1.486 398 HA CYS 54 HA CYS 54 -0.960 -8.771 3.801 399 HB2 CYS 54 HB2 CYS 54 0.468 -6.764 3.294 400 HB3 CYS 54 HB3 CYS 54 -0.916 -5.741 3.627 401 H HIS 55 H HIS 55 -3.260 -6.268 2.560 402 HA HIS 55 HA HIS 55 -4.853 -6.041 4.778 403 HB2 HIS 55 HB2 HIS 55 -5.484 -5.842 1.827 404 HB3 HIS 55 HB3 HIS 55 -6.661 -5.468 3.070 405 HD1 HIS 55 HD1 HIS 55 -6.268 -3.086 1.542 406 HD2 HIS 55 HD2 HIS 55 -3.435 -4.152 4.446 407 HE1 HIS 55 HE1 HIS 55 -4.983 -0.955 2.104 408 H GLU 56 H GLU 56 -5.749 -8.019 1.862 409 HA GLU 56 HA GLU 56 -7.703 -9.425 3.178 410 HB2 GLU 56 HB2 GLU 56 -7.075 -11.180 1.241 411 HB3 GLU 56 HB3 GLU 56 -7.903 -9.674 0.898 412 HG2 GLU 56 HG2 GLU 56 -5.976 -8.644 0.024 413 HG3 GLU 56 HG3 GLU 56 -4.883 -9.662 0.942 414 HE2 GLU 56 HE2 GLU 56 -3.944 -11.329 -0.975 415 H GLU 57 H GLU 57 -4.219 -9.720 3.306 416 HA GLU 57 HA GLU 57 -4.100 -12.428 3.984 417 HB2 GLU 57 HB2 GLU 57 -2.128 -11.233 3.183 418 HB3 GLU 57 HB3 GLU 57 -2.201 -10.107 4.524 419 HG2 GLU 57 HG2 GLU 57 -2.011 -12.259 6.037 420 HG3 GLU 57 HG3 GLU 57 -1.454 -13.049 4.576 421 HE2 GLU 57 HE2 GLU 57 -0.515 -11.337 7.130 422 H MET 58 H MET 58 -3.980 -9.406 6.006 423 HA MET 58 HA MET 58 -4.252 -11.010 8.367 424 HB2 MET 58 HB2 MET 58 -4.133 -7.980 7.889 425 HB3 MET 58 HB3 MET 58 -4.153 -8.710 9.482 426 HG2 MET 58 HG2 MET 58 -2.086 -9.858 7.681 427 HG3 MET 58 HG3 MET 58 -1.860 -8.151 8.005 428 HE1 MET 58 HE1 MET 58 -2.489 -7.259 10.483 429 HE2 MET 58 HE2 MET 58 -1.426 -7.878 11.770 430 HE3 MET 58 HE3 MET 58 -0.725 -7.288 10.244 431 H LYS 59 H LYS 59 -6.360 -9.793 6.023 432 HA LYS 59 HA LYS 59 -8.570 -9.709 5.928 433 HB2 LYS 59 HB2 LYS 59 -8.127 -11.223 8.377 434 HB3 LYS 59 HB3 LYS 59 -9.595 -10.271 8.471 435 HG2 LYS 59 HG2 LYS 59 -8.884 -12.119 6.143 436 HG3 LYS 59 HG3 LYS 59 -9.948 -12.558 7.464 437 HD2 LYS 59 HD2 LYS 59 -10.950 -10.073 6.556 438 HD3 LYS 59 HD3 LYS 59 -10.514 -10.926 5.089 439 HE2 LYS 59 HE2 LYS 59 -11.848 -12.906 5.838 440 HE3 LYS 59 HE3 LYS 59 -12.278 -12.062 7.312 441 HZ1 LYS 59 HZ1 LYS 59 -13.393 -10.371 5.965 442 HZ2 LYS 59 HZ2 LYS 59 -12.958 -11.109 4.580 443 H LYS 60 H LYS 60 -6.592 -7.597 7.180 444 HA LYS 60 HA LYS 60 -8.743 -5.836 8.133 445 HB2 LYS 60 HB2 LYS 60 -5.832 -5.818 8.987 446 HB3 LYS 60 HB3 LYS 60 -7.075 -4.708 9.530 447 HG2 LYS 60 HG2 LYS 60 -8.345 -6.546 10.562 448 HG3 LYS 60 HG3 LYS 60 -7.247 -7.735 9.893 449 HD2 LYS 60 HD2 LYS 60 -5.438 -7.036 11.307 450 HD3 LYS 60 HD3 LYS 60 -6.225 -5.523 11.712 451 HE2 LYS 60 HE2 LYS 60 -7.413 -8.229 12.468 452 HE3 LYS 60 HE3 LYS 60 -6.294 -7.374 13.511 453 HZ1 LYS 60 HZ1 LYS 60 -8.885 -6.278 12.552 454 HZ2 LYS 60 HZ2 LYS 60 -8.599 -6.828 14.058 455 H GLY 61 H GLY 61 -8.750 -3.680 7.344 456 HA2 GLY 61 HA2 GLY 61 -7.874 -1.921 6.086 457 HA3 GLY 61 HA3 GLY 61 -6.752 -3.016 5.303 458 HA PRO 62 HA PRO 62 -10.674 -2.212 2.728 459 HB2 PRO 62 HB2 PRO 62 -9.527 -0.561 0.842 460 HB3 PRO 62 HB3 PRO 62 -10.231 0.041 2.378 461 HG2 PRO 62 HG2 PRO 62 -7.490 -0.654 1.677 462 HG3 PRO 62 HG3 PRO 62 -7.898 0.897 2.480 463 HD2 PRO 62 HD2 PRO 62 -6.933 -1.117 3.955 464 HD3 PRO 62 HD3 PRO 62 -8.380 -0.251 4.553 465 H THR 63 H THR 63 -10.989 -3.985 1.387 466 HA THR 63 HA THR 63 -8.691 -4.765 -0.283 467 HB THR 63 HB THR 63 -9.281 -7.104 0.173 468 HG1 THR 63 HG1 THR 63 -11.422 -7.340 0.674 469 HG21 THR 63 HG21 THR 63 -8.587 -5.274 2.320 470 HG22 THR 63 HG22 THR 63 -9.698 -6.511 2.952 471 HG23 THR 63 HG23 THR 63 -8.177 -6.999 2.169 472 H LYS 64 H LYS 64 -11.839 -3.541 -0.166 473 HA LYS 64 HA LYS 64 -12.599 -4.837 -2.663 474 HB2 LYS 64 HB2 LYS 64 -14.188 -2.926 -0.927 475 HB3 LYS 64 HB3 LYS 64 -14.790 -3.871 -2.273 476 HG2 LYS 64 HG2 LYS 64 -13.474 -5.716 -0.522 477 HG3 LYS 64 HG3 LYS 64 -14.442 -4.672 0.500 478 HD2 LYS 64 HD2 LYS 64 -16.413 -5.539 -0.271 479 HD3 LYS 64 HD3 LYS 64 -15.885 -5.500 -1.942 480 HE2 LYS 64 HE2 LYS 64 -14.500 -7.569 -1.523 481 HE3 LYS 64 HE3 LYS 64 -15.113 -7.623 0.118 482 HZ1 LYS 64 HZ1 LYS 64 -17.367 -7.847 -0.789 483 HZ2 LYS 64 HZ2 LYS 64 -16.810 -7.773 -2.318 484 H CYS 65 H CYS 65 -13.314 -3.497 -4.508 485 HA CYS 65 HA CYS 65 -11.395 -1.506 -5.041 486 HB2 CYS 65 HB2 CYS 65 -13.833 -1.702 -6.728 487 HB3 CYS 65 HB3 CYS 65 -12.149 -1.549 -7.189 488 H GLY 66 H GLY 66 -11.950 0.795 -5.644 489 HA2 GLY 66 HA2 GLY 66 -13.218 2.705 -5.485 490 HA3 GLY 66 HA3 GLY 66 -14.451 1.839 -4.590 491 H GLU 67 H GLU 67 -12.591 0.608 -2.633 492 HA GLU 67 HA GLU 67 -12.549 2.774 -0.831 493 HB2 GLU 67 HB2 GLU 67 -12.643 0.007 -0.620 494 HB3 GLU 67 HB3 GLU 67 -11.014 0.354 -0.075 495 HG2 GLU 67 HG2 GLU 67 -11.929 2.047 1.541 496 HG3 GLU 67 HG3 GLU 67 -13.554 1.660 1.011 497 HE2 GLU 67 HE2 GLU 67 -11.722 1.168 3.403 498 H CYS 68 H CYS 68 -10.322 1.503 -3.179 499 HA CYS 68 HA CYS 68 -8.128 2.926 -1.860 500 HB2 CYS 68 HB2 CYS 68 -8.253 0.354 -3.222 501 HB3 CYS 68 HB3 CYS 68 -7.049 1.398 -3.953 502 H HIS 69 H HIS 69 -9.753 2.187 -5.022 503 HA HIS 69 HA HIS 69 -8.417 4.445 -6.231 504 HB2 HIS 69 HB2 HIS 69 -10.392 2.448 -7.373 505 HB3 HIS 69 HB3 HIS 69 -9.546 3.678 -8.291 506 HD1 HIS 69 HD1 HIS 69 -6.776 3.449 -8.166 507 HD2 HIS 69 HD2 HIS 69 -9.062 0.058 -7.234 508 HE1 HIS 69 HE1 HIS 69 -5.206 1.448 -8.377 509 H LYS 70 H LYS 70 -9.217 6.395 -5.544 510 HA LYS 70 HA LYS 70 -12.137 6.648 -5.469 511 HB2 LYS 70 HB2 LYS 70 -9.946 8.191 -4.058 512 HB3 LYS 70 HB3 LYS 70 -11.621 8.703 -4.084 513 HG2 LYS 70 HG2 LYS 70 -11.461 5.875 -3.376 514 HG3 LYS 70 HG3 LYS 70 -10.417 6.811 -2.325 515 HD2 LYS 70 HD2 LYS 70 -12.380 8.401 -1.929 516 HD3 LYS 70 HD3 LYS 70 -13.392 7.283 -2.822 517 HE2 LYS 70 HE2 LYS 70 -13.755 6.448 -0.690 518 HE3 LYS 70 HE3 LYS 70 -12.342 5.497 -1.103 519 HZ1 LYS 70 HZ1 LYS 70 -10.960 7.156 0.031 520 HZ2 LYS 70 HZ2 LYS 70 -12.263 8.063 0.395 521 H LYS 71 H LYS 71 -13.050 7.575 -7.214 522 HA LYS 71 HA LYS 71 -11.467 8.811 -9.195 523 HB2 LYS 71 HB2 LYS 71 -13.504 9.072 -10.394 524 HB3 LYS 71 HB3 LYS 71 -13.586 7.528 -9.571 525 HG2 LYS 71 HG2 LYS 71 -14.872 8.679 -7.693 526 HG3 LYS 71 HG3 LYS 71 -14.904 10.132 -8.672 527 HD2 LYS 71 HD2 LYS 71 -15.830 7.600 -9.998 528 HD3 LYS 71 HD3 LYS 71 -16.871 8.256 -8.750 529 HE2 LYS 71 HE2 LYS 71 -17.662 9.338 -10.695 530 HE3 LYS 71 HE3 LYS 71 -16.597 10.544 -10.000 531 HZ1 LYS 71 HZ1 LYS 71 -16.278 10.030 -12.455 532 HZ2 LYS 71 HZ2 LYS 71 -14.916 10.012 -11.563 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 5.979 12.221 3.082 2 HA ALA 1 HA ALA 1 6.661 13.021 5.797 3 HB1 ALA 1 HB1 ALA 1 4.015 13.685 5.747 4 HB2 ALA 1 HB2 ALA 1 5.337 14.858 5.534 5 HB3 ALA 1 HB3 ALA 1 4.507 14.184 4.110 6 H ASP 2 H ASP 2 3.770 11.773 3.976 7 HA ASP 2 HA ASP 2 4.209 9.147 4.810 8 HB2 ASP 2 HB2 ASP 2 1.676 9.897 6.085 9 HB3 ASP 2 HB3 ASP 2 3.000 8.948 6.731 10 HD2 ASP 2 HD2 ASP 2 3.681 10.433 8.871 11 H ASP 3 H ASP 3 1.876 11.768 3.956 12 HA ASP 3 HA ASP 3 0.013 10.053 2.761 13 HB2 ASP 3 HB2 ASP 3 0.213 12.846 1.735 14 HB3 ASP 3 HB3 ASP 3 -1.183 11.989 2.359 15 HD2 ASP 3 HD2 ASP 3 -1.900 12.939 4.014 16 H ILE 4 H ILE 4 0.324 8.967 0.812 17 HA ILE 4 HA ILE 4 1.902 10.338 -1.241 18 HB ILE 4 HB ILE 4 2.174 7.451 -0.398 19 HG12 ILE 4 HG12 ILE 4 4.083 9.800 -0.227 20 HG13 ILE 4 HG13 ILE 4 3.331 8.958 1.114 21 HG21 ILE 4 HG21 ILE 4 2.970 8.903 -2.872 22 HG22 ILE 4 HG22 ILE 4 4.142 7.759 -2.176 23 HG23 ILE 4 HG23 ILE 4 2.514 7.200 -2.629 24 HD11 ILE 4 HD11 ILE 4 5.148 7.601 1.138 25 HD12 ILE 4 HD12 ILE 4 4.535 6.895 -0.376 26 HD13 ILE 4 HD13 ILE 4 5.713 8.229 -0.429 27 H VAL 5 H VAL 5 0.892 10.427 -3.190 28 HA VAL 5 HA VAL 5 -1.596 8.906 -3.403 29 HB VAL 5 HB VAL 5 -0.559 11.340 -4.867 30 HG11 VAL 5 HG11 VAL 5 -3.404 10.418 -5.061 31 HG12 VAL 5 HG12 VAL 5 -2.426 11.363 -6.210 32 HG13 VAL 5 HG13 VAL 5 -2.172 9.608 -6.058 33 HG21 VAL 5 HG21 VAL 5 -1.184 12.220 -2.848 34 HG22 VAL 5 HG22 VAL 5 -2.766 12.223 -3.662 35 HG23 VAL 5 HG23 VAL 5 -2.358 10.924 -2.516 36 H LEU 6 H LEU 6 -1.653 7.116 -4.654 37 HA LEU 6 HA LEU 6 0.575 6.732 -6.505 38 HB2 LEU 6 HB2 LEU 6 -1.413 4.785 -5.329 39 HB3 LEU 6 HB3 LEU 6 -0.154 4.365 -6.474 40 HG LEU 6 HG LEU 6 0.440 5.612 -3.783 41 HD11 LEU 6 HD11 LEU 6 -0.776 3.536 -3.397 42 HD12 LEU 6 HD12 LEU 6 0.333 2.664 -4.483 43 HD13 LEU 6 HD13 LEU 6 0.939 3.356 -2.959 44 HD21 LEU 6 HD21 LEU 6 2.561 4.003 -4.581 45 HD22 LEU 6 HD22 LEU 6 2.035 4.806 -6.080 46 HD23 LEU 6 HD23 LEU 6 2.479 5.780 -4.658 47 H LYS 7 H LYS 7 0.049 7.834 -8.371 48 HA LYS 7 HA LYS 7 -2.471 8.200 -9.385 49 HB2 LYS 7 HB2 LYS 7 0.196 7.977 -10.807 50 HB3 LYS 7 HB3 LYS 7 -1.277 8.532 -11.575 51 HG2 LYS 7 HG2 LYS 7 -1.070 10.598 -10.655 52 HG3 LYS 7 HG3 LYS 7 -0.913 9.930 -9.043 53 HD2 LYS 7 HD2 LYS 7 1.453 9.742 -10.915 54 HD3 LYS 7 HD3 LYS 7 1.095 11.290 -10.177 55 HE2 LYS 7 HE2 LYS 7 0.883 9.556 -8.007 56 HE3 LYS 7 HE3 LYS 7 2.169 8.815 -8.938 57 HZ1 LYS 7 HZ1 LYS 7 3.512 10.399 -8.118 58 HZ2 LYS 7 HZ2 LYS 7 2.693 11.542 -8.939 59 H ALA 8 H ALA 8 -3.917 7.029 -10.610 60 HA ALA 8 HA ALA 8 -3.046 4.483 -11.694 61 HB1 ALA 8 HB1 ALA 8 -5.405 3.745 -10.473 62 HB2 ALA 8 HB2 ALA 8 -3.776 3.391 -9.846 63 HB3 ALA 8 HB3 ALA 8 -4.672 4.808 -9.248 64 H LYS 9 H LYS 9 -4.118 4.011 -13.593 65 HA LYS 9 HA LYS 9 -5.735 6.067 -14.686 66 HB2 LYS 9 HB2 LYS 9 -5.703 4.765 -16.682 67 HB3 LYS 9 HB3 LYS 9 -4.111 4.656 -15.960 68 HG2 LYS 9 HG2 LYS 9 -4.282 2.399 -15.882 69 HG3 LYS 9 HG3 LYS 9 -5.685 2.527 -14.840 70 HD2 LYS 9 HD2 LYS 9 -7.203 2.598 -16.729 71 HD3 LYS 9 HD3 LYS 9 -5.891 2.843 -17.864 72 HE2 LYS 9 HE2 LYS 9 -5.146 0.600 -17.702 73 HE3 LYS 9 HE3 LYS 9 -5.891 0.356 -16.135 74 HZ1 LYS 9 HZ1 LYS 9 -8.083 0.735 -17.458 75 HZ2 LYS 9 HZ2 LYS 9 -7.195 0.372 -18.774 76 H ASN 10 H ASN 10 -6.397 3.664 -12.421 77 HA ASN 10 HA ASN 10 -9.174 3.586 -13.308 78 HB2 ASN 10 HB2 ASN 10 -7.485 1.414 -12.821 79 HB3 ASN 10 HB3 ASN 10 -8.316 1.572 -11.287 80 HD21 ASN 10 HD21 ASN 10 -9.920 0.211 -11.168 81 HD22 ASN 10 HD22 ASN 10 -11.078 -0.166 -12.400 82 H GLY 11 H GLY 11 -7.737 5.663 -11.681 83 HA2 GLY 11 HA2 GLY 11 -8.790 6.926 -9.985 84 HA3 GLY 11 HA3 GLY 11 -9.356 5.449 -9.230 85 H ASP 12 H ASP 12 -7.251 7.929 -8.773 86 HA ASP 12 HA ASP 12 -4.838 6.740 -8.226 87 HB2 ASP 12 HB2 ASP 12 -4.379 8.727 -6.864 88 HB3 ASP 12 HB3 ASP 12 -5.248 9.198 -8.311 89 HD2 ASP 12 HD2 ASP 12 -5.184 10.774 -6.105 90 H VAL 13 H VAL 13 -3.884 6.246 -6.019 91 HA VAL 13 HA VAL 13 -5.960 5.353 -4.138 92 HB VAL 13 HB VAL 13 -3.303 4.056 -4.777 93 HG11 VAL 13 HG11 VAL 13 -5.036 3.847 -2.492 94 HG12 VAL 13 HG12 VAL 13 -5.045 2.304 -3.379 95 HG13 VAL 13 HG13 VAL 13 -3.505 3.002 -2.823 96 HG21 VAL 13 HG21 VAL 13 -4.669 3.584 -6.627 97 HG22 VAL 13 HG22 VAL 13 -4.879 2.171 -5.565 98 HG23 VAL 13 HG23 VAL 13 -6.134 3.432 -5.627 99 H LYS 14 H LYS 14 -5.894 6.388 -2.215 100 HA LYS 14 HA LYS 14 -3.562 8.005 -1.640 101 HB2 LYS 14 HB2 LYS 14 -5.982 8.802 -1.477 102 HB3 LYS 14 HB3 LYS 14 -6.124 7.804 -0.044 103 HG2 LYS 14 HG2 LYS 14 -3.931 9.898 -0.386 104 HG3 LYS 14 HG3 LYS 14 -5.477 10.257 0.358 105 HD2 LYS 14 HD2 LYS 14 -4.550 7.867 1.613 106 HD3 LYS 14 HD3 LYS 14 -3.155 8.924 1.514 107 HE2 LYS 14 HE2 LYS 14 -4.184 9.533 3.570 108 HE3 LYS 14 HE3 LYS 14 -4.692 10.791 2.461 109 HZ1 LYS 14 HZ1 LYS 14 -6.759 9.414 2.099 110 HZ2 LYS 14 HZ2 LYS 14 -6.301 8.459 3.335 111 H PHE 15 H PHE 15 -1.855 6.972 -0.738 112 HA PHE 15 HA PHE 15 -2.470 4.894 1.234 113 HB2 PHE 15 HB2 PHE 15 -1.081 4.268 -0.761 114 HB3 PHE 15 HB3 PHE 15 -0.003 5.616 -0.458 115 HD1 PHE 15 HD1 PHE 15 -1.385 2.838 1.636 116 HD2 PHE 15 HD2 PHE 15 2.054 4.934 0.299 117 HE1 PHE 15 HE1 PHE 15 0.067 1.358 3.051 118 HE2 PHE 15 HE2 PHE 15 3.506 3.455 1.714 119 HZ PHE 15 HZ PHE 15 2.495 1.684 3.073 120 HA PRO 16 HA PRO 16 -0.854 7.794 4.194 121 HB2 PRO 16 HB2 PRO 16 -1.760 6.492 6.408 122 HB3 PRO 16 HB3 PRO 16 -2.880 7.308 5.268 123 HG2 PRO 16 HG2 PRO 16 -2.518 4.174 5.440 124 HG3 PRO 16 HG3 PRO 16 -3.682 5.516 5.190 125 HD2 PRO 16 HD2 PRO 16 -2.021 4.040 3.221 126 HD3 PRO 16 HD3 PRO 16 -3.354 5.195 2.920 127 H HIS 17 H HIS 17 1.446 7.439 3.826 128 HA HIS 17 HA HIS 17 2.587 4.995 4.782 129 HB2 HIS 17 HB2 HIS 17 3.430 6.166 2.782 130 HB3 HIS 17 HB3 HIS 17 3.885 7.540 3.769 131 HD1 HIS 17 HD1 HIS 17 5.767 6.980 5.703 132 HD2 HIS 17 HD2 HIS 17 5.371 4.233 2.558 133 HE1 HIS 17 HE1 HIS 17 7.898 5.578 5.706 134 H LYS 18 H LYS 18 1.188 5.944 6.901 135 HA LYS 18 HA LYS 18 3.344 6.780 8.681 136 HB2 LYS 18 HB2 LYS 18 2.477 8.867 8.632 137 HB3 LYS 18 HB3 LYS 18 0.921 8.338 8.024 138 HG2 LYS 18 HG2 LYS 18 0.822 9.249 10.376 139 HG3 LYS 18 HG3 LYS 18 0.205 7.615 10.236 140 HD2 LYS 18 HD2 LYS 18 1.888 6.725 11.519 141 HD3 LYS 18 HD3 LYS 18 3.121 7.731 10.782 142 HE2 LYS 18 HE2 LYS 18 1.104 9.059 12.597 143 HE3 LYS 18 HE3 LYS 18 2.363 8.089 13.335 144 HZ1 LYS 18 HZ1 LYS 18 3.903 9.483 11.776 145 HZ2 LYS 18 HZ2 LYS 18 2.667 10.543 11.741 146 H ALA 19 H ALA 19 -0.228 6.102 8.797 147 HA ALA 19 HA ALA 19 -0.155 4.787 11.222 148 HB1 ALA 19 HB1 ALA 19 -2.131 3.790 9.259 149 HB2 ALA 19 HB2 ALA 19 -2.381 4.569 10.840 150 HB3 ALA 19 HB3 ALA 19 -2.063 5.563 9.397 151 H HIS 20 H HIS 20 0.872 3.760 8.018 152 HA HIS 20 HA HIS 20 0.716 0.977 8.606 153 HB2 HIS 20 HB2 HIS 20 1.859 2.641 6.376 154 HB3 HIS 20 HB3 HIS 20 2.251 0.937 6.489 155 HD1 HIS 20 HD1 HIS 20 -0.652 3.279 5.866 156 HD2 HIS 20 HD2 HIS 20 0.178 -0.832 5.800 157 HE1 HIS 20 HE1 HIS 20 -2.652 2.163 4.740 158 H GLN 21 H GLN 21 2.573 3.396 9.911 159 HA GLN 21 HA GLN 21 5.013 1.850 9.920 160 HB2 GLN 21 HB2 GLN 21 4.339 4.620 11.002 161 HB3 GLN 21 HB3 GLN 21 5.914 3.871 11.173 162 HG2 GLN 21 HG2 GLN 21 6.268 3.827 8.782 163 HG3 GLN 21 HG3 GLN 21 4.587 4.193 8.451 164 HE21 GLN 21 HE21 GLN 21 7.086 5.545 7.679 165 HE22 GLN 21 HE22 GLN 21 6.947 7.193 8.192 166 H LYS 22 H LYS 22 2.668 3.344 12.261 167 HA LYS 22 HA LYS 22 3.833 2.096 14.507 168 HB2 LYS 22 HB2 LYS 22 1.190 3.473 14.003 169 HB3 LYS 22 HB3 LYS 22 1.588 2.767 15.556 170 HG2 LYS 22 HG2 LYS 22 3.719 4.497 14.376 171 HG3 LYS 22 HG3 LYS 22 2.243 5.336 14.810 172 HD2 LYS 22 HD2 LYS 22 2.810 3.555 16.976 173 HD3 LYS 22 HD3 LYS 22 4.335 4.308 16.553 174 HE2 LYS 22 HE2 LYS 22 3.443 5.866 18.072 175 HE3 LYS 22 HE3 LYS 22 2.962 6.558 16.536 176 HZ1 LYS 22 HZ1 LYS 22 1.172 4.708 17.998 177 HZ2 LYS 22 HZ2 LYS 22 1.157 6.309 18.296 178 H ALA 23 H ALA 23 1.576 1.071 12.003 179 HA ALA 23 HA ALA 23 0.589 -1.138 13.567 180 HB1 ALA 23 HB1 ALA 23 0.255 -0.930 10.591 181 HB2 ALA 23 HB2 ALA 23 -0.918 -1.419 11.838 182 HB3 ALA 23 HB3 ALA 23 -0.523 0.302 11.613 183 H VAL 24 H VAL 24 3.191 -0.407 11.275 184 HA VAL 24 HA VAL 24 4.143 -3.141 11.646 185 HB VAL 24 HB VAL 24 3.949 -1.735 8.974 186 HG11 VAL 24 HG11 VAL 24 5.500 -3.146 8.219 187 HG12 VAL 24 HG12 VAL 24 5.733 -3.752 9.877 188 HG13 VAL 24 HG13 VAL 24 4.555 -4.539 8.798 189 HG21 VAL 24 HG21 VAL 24 2.351 -3.483 8.361 190 HG22 VAL 24 HG22 VAL 24 2.467 -4.182 9.994 191 HG23 VAL 24 HG23 VAL 24 1.767 -2.562 9.768 192 HA PRO 25 HA PRO 25 6.943 0.479 12.829 193 HB2 PRO 25 HB2 PRO 25 7.684 -1.941 14.537 194 HB3 PRO 25 HB3 PRO 25 7.730 -0.190 14.924 195 HG2 PRO 25 HG2 PRO 25 5.347 -1.577 15.761 196 HG3 PRO 25 HG3 PRO 25 5.698 -0.009 14.963 197 HD2 PRO 25 HD2 PRO 25 4.798 -2.671 13.712 198 HD3 PRO 25 HD3 PRO 25 4.025 -1.064 13.559 199 H ASP 26 H ASP 26 7.297 -2.935 11.772 200 HA ASP 26 HA ASP 26 10.078 -2.654 11.336 201 HB2 ASP 26 HB2 ASP 26 9.036 -4.855 11.762 202 HB3 ASP 26 HB3 ASP 26 8.031 -4.687 10.336 203 HD2 ASP 26 HD2 ASP 26 9.846 -6.808 10.791 204 H CYS 27 H CYS 27 10.909 -1.453 9.621 205 HA CYS 27 HA CYS 27 9.164 -0.811 7.422 206 HB2 CYS 27 HB2 CYS 27 12.036 0.026 7.572 207 HB3 CYS 27 HB3 CYS 27 10.669 0.856 6.855 208 H LYS 28 H LYS 28 11.500 -3.198 8.330 209 HA LYS 28 HA LYS 28 12.525 -3.674 5.703 210 HB2 LYS 28 HB2 LYS 28 12.680 -5.326 8.243 211 HB3 LYS 28 HB3 LYS 28 13.577 -5.641 6.771 212 HG2 LYS 28 HG2 LYS 28 14.042 -2.898 7.326 213 HG3 LYS 28 HG3 LYS 28 14.124 -3.689 8.887 214 HD2 LYS 28 HD2 LYS 28 15.778 -5.320 8.001 215 HD3 LYS 28 HD3 LYS 28 15.664 -4.597 6.409 216 HE2 LYS 28 HE2 LYS 28 17.618 -3.622 7.382 217 HE3 LYS 28 HE3 LYS 28 16.393 -2.375 7.499 218 HZ1 LYS 28 HZ1 LYS 28 17.651 -2.767 9.603 219 HZ2 LYS 28 HZ2 LYS 28 16.044 -2.935 9.801 220 H LYS 29 H LYS 29 9.498 -4.077 7.076 221 HA LYS 29 HA LYS 29 8.873 -6.688 6.198 222 HB2 LYS 29 HB2 LYS 29 7.455 -4.359 7.340 223 HB3 LYS 29 HB3 LYS 29 6.475 -5.379 6.306 224 HG2 LYS 29 HG2 LYS 29 8.224 -6.500 8.540 225 HG3 LYS 29 HG3 LYS 29 6.554 -6.032 8.793 226 HD2 LYS 29 HD2 LYS 29 6.749 -7.707 6.415 227 HD3 LYS 29 HD3 LYS 29 7.528 -8.510 7.763 228 HE2 LYS 29 HE2 LYS 29 5.267 -9.194 7.961 229 HE3 LYS 29 HE3 LYS 29 5.396 -7.901 9.137 230 HZ1 LYS 29 HZ1 LYS 29 3.549 -7.963 7.184 231 HZ2 LYS 29 HZ2 LYS 29 4.027 -6.587 7.913 232 H CYS 30 H CYS 30 8.294 -3.390 4.800 233 HA CYS 30 HA CYS 30 7.526 -4.685 2.316 234 HB2 CYS 30 HB2 CYS 30 7.496 -1.713 2.894 235 HB3 CYS 30 HB3 CYS 30 6.642 -2.577 1.631 236 H HIS 31 H HIS 31 9.771 -2.122 3.601 237 HA HIS 31 HA HIS 31 11.230 -1.992 1.183 238 HB2 HIS 31 HB2 HIS 31 11.900 -1.019 3.975 239 HB3 HIS 31 HB3 HIS 31 12.804 -0.616 2.529 240 HD1 HIS 31 HD1 HIS 31 11.054 0.470 0.530 241 HD2 HIS 31 HD2 HIS 31 10.087 0.914 4.587 242 HE1 HIS 31 HE1 HIS 31 9.418 2.424 0.665 243 H GLU 32 H GLU 32 12.417 -3.669 0.417 244 HA GLU 32 HA GLU 32 13.554 -5.491 2.333 245 HB2 GLU 32 HB2 GLU 32 12.743 -5.583 -0.490 246 HB3 GLU 32 HB3 GLU 32 14.319 -6.311 -0.247 247 HG2 GLU 32 HG2 GLU 32 13.176 -7.531 1.797 248 HG3 GLU 32 HG3 GLU 32 11.671 -7.089 1.016 249 HE2 GLU 32 HE2 GLU 32 11.627 -9.842 0.223 250 H LYS 33 H LYS 33 14.666 -3.516 -0.513 251 HA LYS 33 HA LYS 33 17.409 -3.905 0.235 252 HB2 LYS 33 HB2 LYS 33 16.279 -2.033 -1.860 253 HB3 LYS 33 HB3 LYS 33 17.916 -2.647 -1.747 254 HG2 LYS 33 HG2 LYS 33 17.068 -4.147 -3.302 255 HG3 LYS 33 HG3 LYS 33 16.689 -5.027 -1.835 256 HD2 LYS 33 HD2 LYS 33 14.433 -4.759 -2.108 257 HD3 LYS 33 HD3 LYS 33 14.591 -3.072 -2.556 258 HE2 LYS 33 HE2 LYS 33 14.957 -3.575 -4.848 259 HE3 LYS 33 HE3 LYS 33 15.468 -5.217 -4.512 260 HZ1 LYS 33 HZ1 LYS 33 13.073 -4.788 -5.385 261 HZ2 LYS 33 HZ2 LYS 33 13.276 -5.901 -4.214 262 H GLY 34 H GLY 34 14.978 -2.175 1.634 263 HA2 GLY 34 HA2 GLY 34 15.638 -0.802 3.505 264 HA3 GLY 34 HA3 GLY 34 16.850 -0.051 2.487 265 HA PRO 35 HA PRO 35 12.693 2.337 2.787 266 HB2 PRO 35 HB2 PRO 35 14.134 4.683 3.458 267 HB3 PRO 35 HB3 PRO 35 13.293 3.588 4.603 268 HG2 PRO 35 HG2 PRO 35 16.080 3.634 3.700 269 HG3 PRO 35 HG3 PRO 35 15.777 3.408 5.453 270 HD2 PRO 35 HD2 PRO 35 16.319 1.228 4.151 271 HD3 PRO 35 HD3 PRO 35 14.724 1.211 4.963 272 H GLY 36 H GLY 36 11.964 3.464 0.945 273 HA2 GLY 36 HA2 GLY 36 12.895 5.277 -0.620 274 HA3 GLY 36 HA3 GLY 36 14.034 4.024 -1.074 275 H LYS 37 H LYS 37 12.956 4.458 -3.265 276 HA LYS 37 HA LYS 37 10.280 3.644 -3.643 277 HB2 LYS 37 HB2 LYS 37 11.955 5.130 -5.081 278 HB3 LYS 37 HB3 LYS 37 12.278 3.600 -5.871 279 HG2 LYS 37 HG2 LYS 37 9.387 4.168 -5.411 280 HG3 LYS 37 HG3 LYS 37 10.180 5.280 -6.509 281 HD2 LYS 37 HD2 LYS 37 11.158 2.810 -7.363 282 HD3 LYS 37 HD3 LYS 37 9.520 2.415 -6.884 283 HE2 LYS 37 HE2 LYS 37 8.673 3.416 -8.738 284 HE3 LYS 37 HE3 LYS 37 9.486 4.921 -8.354 285 HZ1 LYS 37 HZ1 LYS 37 10.795 2.634 -9.727 286 HZ2 LYS 37 HZ2 LYS 37 10.240 3.965 -10.482 287 H ILE 38 H ILE 38 9.441 1.701 -4.559 288 HA ILE 38 HA ILE 38 11.222 -0.579 -4.095 289 HB ILE 38 HB ILE 38 8.208 -0.390 -4.115 290 HG12 ILE 38 HG12 ILE 38 10.080 -0.888 -1.785 291 HG13 ILE 38 HG13 ILE 38 9.405 0.681 -2.176 292 HG21 ILE 38 HG21 ILE 38 10.088 -2.727 -3.846 293 HG22 ILE 38 HG22 ILE 38 8.468 -2.748 -3.109 294 HG23 ILE 38 HG23 ILE 38 8.642 -2.552 -4.869 295 HD11 ILE 38 HD11 ILE 38 7.228 -1.187 -2.204 296 HD12 ILE 38 HD12 ILE 38 8.173 -1.487 -0.726 297 HD13 ILE 38 HD13 ILE 38 7.521 0.137 -1.051 298 H GLU 39 H GLU 39 12.049 -1.585 -5.841 299 HA GLU 39 HA GLU 39 10.995 -0.884 -8.402 300 HB2 GLU 39 HB2 GLU 39 13.348 -2.580 -7.487 301 HB3 GLU 39 HB3 GLU 39 12.911 -2.438 -9.177 302 HG2 GLU 39 HG2 GLU 39 14.156 -0.540 -9.243 303 HG3 GLU 39 HG3 GLU 39 12.905 0.227 -8.284 304 HE2 GLU 39 HE2 GLU 39 16.449 -0.547 -6.792 305 H GLY 40 H GLY 40 9.785 -2.188 -9.784 306 HA2 GLY 40 HA2 GLY 40 9.074 -4.298 -10.561 307 HA3 GLY 40 HA3 GLY 40 9.331 -4.979 -8.966 308 H PHE 41 H PHE 41 8.074 -2.805 -7.437 309 HA PHE 41 HA PHE 41 5.603 -3.677 -7.051 310 HB2 PHE 41 HB2 PHE 41 6.843 -1.792 -5.872 311 HB3 PHE 41 HB3 PHE 41 6.526 -0.746 -7.241 312 HD1 PHE 41 HD1 PHE 41 4.708 -2.826 -4.734 313 HD2 PHE 41 HD2 PHE 41 4.668 0.634 -7.190 314 HE1 PHE 41 HE1 PHE 41 2.547 -2.104 -3.682 315 HE2 PHE 41 HE2 PHE 41 2.507 1.356 -6.139 316 HZ PHE 41 HZ PHE 41 1.472 -0.022 -4.397 317 H GLY 42 H GLY 42 3.404 -2.852 -7.621 318 HA2 GLY 42 HA2 GLY 42 2.745 -1.192 -9.683 319 HA3 GLY 42 HA3 GLY 42 3.113 -2.712 -10.473 320 H LYS 43 H LYS 43 0.861 -2.928 -11.114 321 HA LYS 43 HA LYS 43 -1.247 -2.870 -9.290 322 HB2 LYS 43 HB2 LYS 43 -1.285 -2.761 -11.850 323 HB3 LYS 43 HB3 LYS 43 -1.167 -4.509 -11.830 324 HG2 LYS 43 HG2 LYS 43 -3.187 -4.051 -9.970 325 HG3 LYS 43 HG3 LYS 43 -3.464 -2.764 -11.127 326 HD2 LYS 43 HD2 LYS 43 -2.912 -5.124 -12.656 327 HD3 LYS 43 HD3 LYS 43 -4.032 -5.600 -11.396 328 HE2 LYS 43 HE2 LYS 43 -5.709 -4.093 -12.122 329 HE3 LYS 43 HE3 LYS 43 -4.563 -3.053 -12.946 330 HZ1 LYS 43 HZ1 LYS 43 -4.217 -4.898 -14.563 331 HZ2 LYS 43 HZ2 LYS 43 -5.386 -5.766 -13.833 332 H GLU 44 H GLU 44 -0.148 -5.892 -10.951 333 HA GLU 44 HA GLU 44 -1.219 -7.687 -9.385 334 HB2 GLU 44 HB2 GLU 44 1.508 -7.613 -10.683 335 HB3 GLU 44 HB3 GLU 44 1.071 -9.005 -9.713 336 HG2 GLU 44 HG2 GLU 44 0.514 -8.989 -12.297 337 HG3 GLU 44 HG3 GLU 44 -0.639 -9.670 -11.168 338 HE2 GLU 44 HE2 GLU 44 -1.227 -6.148 -12.949 339 H MET 45 H MET 45 1.601 -5.664 -8.507 340 HA MET 45 HA MET 45 2.213 -7.109 -6.180 341 HB2 MET 45 HB2 MET 45 3.450 -5.163 -7.665 342 HB3 MET 45 HB3 MET 45 2.807 -4.156 -6.382 343 HG2 MET 45 HG2 MET 45 4.872 -4.756 -5.458 344 HG3 MET 45 HG3 MET 45 3.848 -6.005 -4.779 345 HE1 MET 45 HE1 MET 45 7.449 -6.456 -5.739 346 HE2 MET 45 HE2 MET 45 6.280 -6.569 -4.401 347 HE3 MET 45 HE3 MET 45 6.841 -8.046 -5.221 348 H ALA 46 H ALA 46 0.583 -3.891 -6.689 349 HA ALA 46 HA ALA 46 -0.059 -3.391 -4.072 350 HB1 ALA 46 HB1 ALA 46 -0.293 -1.860 -6.055 351 HB2 ALA 46 HB2 ALA 46 -1.757 -2.760 -6.517 352 HB3 ALA 46 HB3 ALA 46 -1.711 -1.865 -4.979 353 H HIS 47 H HIS 47 -2.038 -5.133 -6.573 354 HA HIS 47 HA HIS 47 -4.046 -5.790 -4.696 355 HB2 HIS 47 HB2 HIS 47 -3.453 -7.012 -7.406 356 HB3 HIS 47 HB3 HIS 47 -4.941 -7.189 -6.497 357 HD1 HIS 47 HD1 HIS 47 -4.592 -5.834 -9.404 358 HD2 HIS 47 HD2 HIS 47 -5.104 -3.842 -5.748 359 HE1 HIS 47 HE1 HIS 47 -5.549 -3.537 -9.969 360 H GLY 48 H GLY 48 -1.029 -7.307 -5.841 361 HA2 GLY 48 HA2 GLY 48 -1.575 -9.880 -4.718 362 HA3 GLY 48 HA3 GLY 48 -0.044 -9.275 -5.319 363 H LYS 49 H LYS 49 1.393 -9.714 -3.668 364 HA LYS 49 HA LYS 49 0.585 -9.209 -0.942 365 HB2 LYS 49 HB2 LYS 49 2.595 -10.327 -0.325 366 HB3 LYS 49 HB3 LYS 49 1.873 -11.240 -1.635 367 HG2 LYS 49 HG2 LYS 49 3.730 -9.124 -2.569 368 HG3 LYS 49 HG3 LYS 49 4.506 -10.329 -1.561 369 HD2 LYS 49 HD2 LYS 49 4.068 -12.080 -3.058 370 HD3 LYS 49 HD3 LYS 49 2.644 -11.304 -3.722 371 HE2 LYS 49 HE2 LYS 49 3.961 -10.686 -5.474 372 HE3 LYS 49 HE3 LYS 49 4.668 -9.502 -4.393 373 HZ1 LYS 49 HZ1 LYS 49 6.252 -11.342 -3.707 374 HZ2 LYS 49 HZ2 LYS 49 5.701 -12.220 -4.964 375 H GLY 50 H GLY 50 0.471 -6.876 -2.532 376 HA2 GLY 50 HA2 GLY 50 2.875 -5.390 -1.669 377 HA3 GLY 50 HA3 GLY 50 1.849 -4.970 -3.025 378 H CYS 51 H CYS 51 -0.731 -5.113 -2.087 379 HA CYS 51 HA CYS 51 -0.689 -3.346 0.250 380 HB2 CYS 51 HB2 CYS 51 -2.438 -3.096 -2.206 381 HB3 CYS 51 HB3 CYS 51 -2.620 -2.153 -0.741 382 H LYS 52 H LYS 52 -3.447 -4.578 -1.715 383 HA LYS 52 HA LYS 52 -5.021 -5.354 0.334 384 HB2 LYS 52 HB2 LYS 52 -4.739 -6.419 -2.476 385 HB3 LYS 52 HB3 LYS 52 -5.957 -7.043 -1.382 386 HG2 LYS 52 HG2 LYS 52 -6.322 -4.338 -1.030 387 HG3 LYS 52 HG3 LYS 52 -5.778 -4.365 -2.695 388 HD2 LYS 52 HD2 LYS 52 -7.935 -6.291 -1.774 389 HD3 LYS 52 HD3 LYS 52 -8.351 -4.634 -2.166 390 HE2 LYS 52 HE2 LYS 52 -8.662 -5.812 -4.214 391 HE3 LYS 52 HE3 LYS 52 -7.120 -5.004 -4.415 392 HZ1 LYS 52 HZ1 LYS 52 -7.602 -7.752 -4.518 393 HZ2 LYS 52 HZ2 LYS 52 -6.164 -7.005 -4.670 394 H GLY 53 H GLY 53 -2.580 -7.424 -1.374 395 HA2 GLY 53 HA2 GLY 53 -2.781 -9.823 -0.349 396 HA3 GLY 53 HA3 GLY 53 -1.233 -9.003 -0.388 397 H CYS 54 H CYS 54 -0.996 -7.290 1.565 398 HA CYS 54 HA CYS 54 -0.883 -8.805 3.873 399 HB2 CYS 54 HB2 CYS 54 0.508 -6.789 3.365 400 HB3 CYS 54 HB3 CYS 54 -0.887 -5.775 3.676 401 H HIS 55 H HIS 55 -3.187 -6.199 2.818 402 HA HIS 55 HA HIS 55 -4.747 -6.036 5.016 403 HB2 HIS 55 HB2 HIS 55 -5.521 -5.931 2.092 404 HB3 HIS 55 HB3 HIS 55 -6.614 -5.495 3.390 405 HD1 HIS 55 HD1 HIS 55 -6.186 -3.226 1.617 406 HD2 HIS 55 HD2 HIS 55 -3.408 -4.115 4.632 407 HE1 HIS 55 HE1 HIS 55 -4.880 -1.076 2.043 408 H GLU 56 H GLU 56 -5.677 -8.103 2.172 409 HA GLU 56 HA GLU 56 -7.591 -9.501 3.524 410 HB2 GLU 56 HB2 GLU 56 -6.920 -11.333 1.689 411 HB3 GLU 56 HB3 GLU 56 -7.733 -9.845 1.247 412 HG2 GLU 56 HG2 GLU 56 -5.875 -8.974 0.199 413 HG3 GLU 56 HG3 GLU 56 -4.766 -9.623 1.391 414 HE2 GLU 56 HE2 GLU 56 -6.907 -11.489 -0.983 415 H GLU 57 H GLU 57 -4.121 -9.680 3.786 416 HA GLU 57 HA GLU 57 -3.839 -12.339 4.488 417 HB2 GLU 57 HB2 GLU 57 -2.152 -10.185 4.151 418 HB3 GLU 57 HB3 GLU 57 -2.077 -10.392 5.890 419 HG2 GLU 57 HG2 GLU 57 -0.334 -11.738 4.702 420 HG3 GLU 57 HG3 GLU 57 -1.415 -12.742 5.648 421 HE2 GLU 57 HE2 GLU 57 -0.407 -12.809 2.171 422 H MET 58 H MET 58 -4.286 -9.387 6.562 423 HA MET 58 HA MET 58 -4.822 -11.176 8.782 424 HB2 MET 58 HB2 MET 58 -4.415 -8.135 8.654 425 HB3 MET 58 HB3 MET 58 -4.612 -9.047 10.137 426 HG2 MET 58 HG2 MET 58 -2.510 -10.247 8.494 427 HG3 MET 58 HG3 MET 58 -2.184 -8.543 8.738 428 HE1 MET 58 HE1 MET 58 -0.972 -8.088 12.006 429 HE2 MET 58 HE2 MET 58 -1.672 -7.435 10.505 430 HE3 MET 58 HE3 MET 58 -2.707 -7.700 11.929 431 H LYS 59 H LYS 59 -6.571 -9.987 6.303 432 HA LYS 59 HA LYS 59 -8.747 -9.741 5.982 433 HB2 LYS 59 HB2 LYS 59 -8.662 -10.958 8.627 434 HB3 LYS 59 HB3 LYS 59 -10.039 -9.888 8.460 435 HG2 LYS 59 HG2 LYS 59 -9.295 -12.089 6.475 436 HG3 LYS 59 HG3 LYS 59 -10.532 -12.234 7.707 437 HD2 LYS 59 HD2 LYS 59 -11.397 -9.940 6.543 438 HD3 LYS 59 HD3 LYS 59 -10.556 -10.624 5.167 439 HE2 LYS 59 HE2 LYS 59 -12.343 -12.495 6.691 440 HE3 LYS 59 HE3 LYS 59 -13.143 -11.229 5.781 441 HZ1 LYS 59 HZ1 LYS 59 -11.139 -12.335 4.152 442 HZ2 LYS 59 HZ2 LYS 59 -11.995 -13.575 4.769 443 H LYS 60 H LYS 60 -6.700 -7.727 7.563 444 HA LYS 60 HA LYS 60 -8.733 -5.697 8.102 445 HB2 LYS 60 HB2 LYS 60 -5.777 -5.642 8.766 446 HB3 LYS 60 HB3 LYS 60 -7.009 -4.530 9.327 447 HG2 LYS 60 HG2 LYS 60 -7.318 -7.499 9.857 448 HG3 LYS 60 HG3 LYS 60 -6.253 -6.545 10.870 449 HD2 LYS 60 HD2 LYS 60 -8.034 -5.156 11.651 450 HD3 LYS 60 HD3 LYS 60 -9.095 -5.616 10.334 451 HE2 LYS 60 HE2 LYS 60 -9.919 -7.363 11.528 452 HE3 LYS 60 HE3 LYS 60 -8.310 -8.008 11.786 453 HZ1 LYS 60 HZ1 LYS 60 -9.909 -6.803 13.689 454 HZ2 LYS 60 HZ2 LYS 60 -8.350 -7.233 13.882 455 H GLY 61 H GLY 61 -8.073 -3.393 7.395 456 HA2 GLY 61 HA2 GLY 61 -7.389 -1.934 5.802 457 HA3 GLY 61 HA3 GLY 61 -6.372 -3.174 5.097 458 HA PRO 62 HA PRO 62 -10.493 -2.292 2.741 459 HB2 PRO 62 HB2 PRO 62 -9.378 -0.732 0.729 460 HB3 PRO 62 HB3 PRO 62 -10.086 -0.074 2.239 461 HG2 PRO 62 HG2 PRO 62 -7.355 -0.693 1.562 462 HG3 PRO 62 HG3 PRO 62 -7.815 0.857 2.341 463 HD2 PRO 62 HD2 PRO 62 -6.773 -1.066 3.862 464 HD3 PRO 62 HD3 PRO 62 -8.282 -0.290 4.431 465 H THR 63 H THR 63 -10.901 -4.114 1.493 466 HA THR 63 HA THR 63 -8.690 -5.013 -0.236 467 HB THR 63 HB THR 63 -9.393 -7.309 0.282 468 HG1 THR 63 HG1 THR 63 -11.354 -5.955 1.989 469 HG21 THR 63 HG21 THR 63 -8.667 -5.434 2.430 470 HG22 THR 63 HG22 THR 63 -9.688 -6.758 3.042 471 HG23 THR 63 HG23 THR 63 -8.162 -7.126 2.204 472 H LYS 64 H LYS 64 -11.809 -3.679 -0.071 473 HA LYS 64 HA LYS 64 -12.625 -4.955 -2.563 474 HB2 LYS 64 HB2 LYS 64 -14.170 -3.041 -0.792 475 HB3 LYS 64 HB3 LYS 64 -14.800 -3.972 -2.137 476 HG2 LYS 64 HG2 LYS 64 -13.422 -5.753 -0.288 477 HG3 LYS 64 HG3 LYS 64 -14.585 -4.783 0.595 478 HD2 LYS 64 HD2 LYS 64 -16.365 -5.861 -0.341 479 HD3 LYS 64 HD3 LYS 64 -15.693 -5.755 -1.956 480 HE2 LYS 64 HE2 LYS 64 -14.929 -7.898 -1.876 481 HE3 LYS 64 HE3 LYS 64 -14.142 -7.634 -0.332 482 HZ1 LYS 64 HZ1 LYS 64 -16.589 -7.768 0.552 483 HZ2 LYS 64 HZ2 LYS 64 -16.882 -8.569 -0.836 484 H CYS 65 H CYS 65 -13.339 -3.597 -4.391 485 HA CYS 65 HA CYS 65 -11.409 -1.613 -4.920 486 HB2 CYS 65 HB2 CYS 65 -13.860 -1.802 -6.594 487 HB3 CYS 65 HB3 CYS 65 -12.181 -1.627 -7.066 488 H GLY 66 H GLY 66 -11.952 0.695 -5.500 489 HA2 GLY 66 HA2 GLY 66 -13.216 2.608 -5.327 490 HA3 GLY 66 HA3 GLY 66 -14.447 1.741 -4.430 491 H GLU 67 H GLU 67 -12.562 0.492 -2.498 492 HA GLU 67 HA GLU 67 -12.513 2.641 -0.676 493 HB2 GLU 67 HB2 GLU 67 -12.614 -0.116 -0.478 494 HB3 GLU 67 HB3 GLU 67 -10.966 0.204 0.023 495 HG2 GLU 67 HG2 GLU 67 -11.823 1.903 1.675 496 HG3 GLU 67 HG3 GLU 67 -13.464 1.515 1.198 497 HE2 GLU 67 HE2 GLU 67 -12.335 -1.542 1.127 498 H CYS 68 H CYS 68 -10.316 1.436 -3.075 499 HA CYS 68 HA CYS 68 -8.115 2.852 -1.760 500 HB2 CYS 68 HB2 CYS 68 -8.230 0.282 -3.128 501 HB3 CYS 68 HB3 CYS 68 -7.035 1.336 -3.858 502 H HIS 69 H HIS 69 -9.740 2.093 -4.918 503 HA HIS 69 HA HIS 69 -8.435 4.361 -6.135 504 HB2 HIS 69 HB2 HIS 69 -10.414 2.359 -7.260 505 HB3 HIS 69 HB3 HIS 69 -9.577 3.589 -8.185 506 HD1 HIS 69 HD1 HIS 69 -6.808 3.361 -8.093 507 HD2 HIS 69 HD2 HIS 69 -9.078 -0.029 -7.117 508 HE1 HIS 69 HE1 HIS 69 -5.238 1.362 -8.311 509 H LYS 70 H LYS 70 -9.235 6.305 -5.429 510 HA LYS 70 HA LYS 70 -12.161 6.570 -5.467 511 HB2 LYS 70 HB2 LYS 70 -10.078 7.922 -3.734 512 HB3 LYS 70 HB3 LYS 70 -11.730 8.492 -3.865 513 HG2 LYS 70 HG2 LYS 70 -11.858 5.655 -3.423 514 HG3 LYS 70 HG3 LYS 70 -10.697 6.297 -2.278 515 HD2 LYS 70 HD2 LYS 70 -12.779 8.176 -2.189 516 HD3 LYS 70 HD3 LYS 70 -13.628 6.655 -2.375 517 HE2 LYS 70 HE2 LYS 70 -11.436 7.070 -0.292 518 HE3 LYS 70 HE3 LYS 70 -13.128 7.379 0.043 519 HZ1 LYS 70 HZ1 LYS 70 -11.816 4.894 0.027 520 HZ2 LYS 70 HZ2 LYS 70 -13.375 5.189 0.396 521 H LYS 71 H LYS 71 -12.906 7.659 -7.198 522 HA LYS 71 HA LYS 71 -11.060 9.233 -8.746 523 HB2 LYS 71 HB2 LYS 71 -12.822 7.634 -9.665 524 HB3 LYS 71 HB3 LYS 71 -14.021 8.834 -9.226 525 HG2 LYS 71 HG2 LYS 71 -13.588 9.563 -11.379 526 HG3 LYS 71 HG3 LYS 71 -12.348 10.480 -10.546 527 HD2 LYS 71 HD2 LYS 71 -10.782 8.453 -10.962 528 HD3 LYS 71 HD3 LYS 71 -12.012 7.856 -12.057 529 HE2 LYS 71 HE2 LYS 71 -11.552 9.442 -13.661 530 HE3 LYS 71 HE3 LYS 71 -11.301 10.715 -12.482 531 HZ1 LYS 71 HZ1 LYS 71 -9.307 9.512 -13.826 532 HZ2 LYS 71 HZ2 LYS 71 -9.089 10.266 -12.399 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 3.394 14.523 2.704 2 HA ALA 1 HA ALA 1 5.883 13.129 3.263 3 HB1 ALA 1 HB1 ALA 1 3.675 13.737 5.238 4 HB2 ALA 1 HB2 ALA 1 5.426 13.594 5.522 5 HB3 ALA 1 HB3 ALA 1 4.774 15.019 4.677 6 H ASP 2 H ASP 2 4.166 11.806 5.556 7 HA ASP 2 HA ASP 2 4.183 9.311 4.766 8 HB2 ASP 2 HB2 ASP 2 1.607 9.936 6.100 9 HB3 ASP 2 HB3 ASP 2 2.908 8.889 6.631 10 HD2 ASP 2 HD2 ASP 2 4.922 10.537 6.936 11 H ASP 3 H ASP 3 1.710 11.784 3.928 12 HA ASP 3 HA ASP 3 -0.077 9.972 2.751 13 HB2 ASP 3 HB2 ASP 3 -0.018 12.769 1.718 14 HB3 ASP 3 HB3 ASP 3 -1.368 11.845 2.347 15 HD2 ASP 3 HD2 ASP 3 -1.046 11.501 4.822 16 H ILE 4 H ILE 4 0.273 8.903 0.800 17 HA ILE 4 HA ILE 4 1.820 10.331 -1.241 18 HB ILE 4 HB ILE 4 2.108 7.432 -0.447 19 HG12 ILE 4 HG12 ILE 4 3.985 9.798 -0.197 20 HG13 ILE 4 HG13 ILE 4 3.241 8.900 1.111 21 HG21 ILE 4 HG21 ILE 4 2.935 6.994 -2.456 22 HG22 ILE 4 HG22 ILE 4 2.459 8.626 -2.984 23 HG23 ILE 4 HG23 ILE 4 4.086 8.344 -2.318 24 HD11 ILE 4 HD11 ILE 4 5.436 7.994 0.942 25 HD12 ILE 4 HD12 ILE 4 4.405 6.800 0.117 26 HD13 ILE 4 HD13 ILE 4 5.372 7.951 -0.837 27 H VAL 5 H VAL 5 0.817 10.443 -3.193 28 HA VAL 5 HA VAL 5 -1.670 8.928 -3.432 29 HB VAL 5 HB VAL 5 -0.597 11.352 -4.887 30 HG11 VAL 5 HG11 VAL 5 -3.447 10.467 -5.126 31 HG12 VAL 5 HG12 VAL 5 -2.430 11.377 -6.269 32 HG13 VAL 5 HG13 VAL 5 -2.213 9.620 -6.090 33 HG21 VAL 5 HG21 VAL 5 -2.782 11.025 -2.805 34 HG22 VAL 5 HG22 VAL 5 -1.237 11.889 -2.619 35 HG23 VAL 5 HG23 VAL 5 -2.479 12.515 -3.730 36 H LEU 6 H LEU 6 -1.726 7.131 -4.673 37 HA LEU 6 HA LEU 6 0.515 6.721 -6.502 38 HB2 LEU 6 HB2 LEU 6 -1.512 4.801 -5.346 39 HB3 LEU 6 HB3 LEU 6 -0.248 4.363 -6.479 40 HG LEU 6 HG LEU 6 0.388 5.640 -3.817 41 HD11 LEU 6 HD11 LEU 6 -0.764 3.787 -3.045 42 HD12 LEU 6 HD12 LEU 6 -0.274 2.772 -4.422 43 HD13 LEU 6 HD13 LEU 6 0.905 3.180 -3.153 44 HD21 LEU 6 HD21 LEU 6 2.559 5.194 -4.255 45 HD22 LEU 6 HD22 LEU 6 2.194 3.683 -5.122 46 HD23 LEU 6 HD23 LEU 6 1.995 5.250 -5.942 47 H LYS 7 H LYS 7 0.071 7.732 -8.421 48 HA LYS 7 HA LYS 7 -2.435 8.181 -9.460 49 HB2 LYS 7 HB2 LYS 7 0.234 7.844 -10.856 50 HB3 LYS 7 HB3 LYS 7 -1.213 8.449 -11.637 51 HG2 LYS 7 HG2 LYS 7 -0.913 10.516 -10.748 52 HG3 LYS 7 HG3 LYS 7 -0.820 9.863 -9.124 53 HD2 LYS 7 HD2 LYS 7 1.579 9.502 -10.915 54 HD3 LYS 7 HD3 LYS 7 1.273 11.107 -10.282 55 HE2 LYS 7 HE2 LYS 7 0.912 9.455 -8.038 56 HE3 LYS 7 HE3 LYS 7 2.249 8.698 -8.881 57 HZ1 LYS 7 HZ1 LYS 7 3.162 11.102 -9.012 58 HZ2 LYS 7 HZ2 LYS 7 2.110 11.445 -7.817 59 H ALA 8 H ALA 8 -3.874 7.055 -10.759 60 HA ALA 8 HA ALA 8 -3.072 4.435 -11.717 61 HB1 ALA 8 HB1 ALA 8 -4.770 4.912 -9.359 62 HB2 ALA 8 HB2 ALA 8 -5.548 3.892 -10.592 63 HB3 ALA 8 HB3 ALA 8 -3.974 3.419 -9.909 64 H LYS 9 H LYS 9 -4.225 3.815 -13.569 65 HA LYS 9 HA LYS 9 -5.651 5.956 -14.833 66 HB2 LYS 9 HB2 LYS 9 -5.540 4.620 -16.799 67 HB3 LYS 9 HB3 LYS 9 -3.994 4.476 -15.987 68 HG2 LYS 9 HG2 LYS 9 -4.242 2.231 -15.752 69 HG3 LYS 9 HG3 LYS 9 -5.806 2.426 -14.986 70 HD2 LYS 9 HD2 LYS 9 -5.820 2.933 -17.920 71 HD3 LYS 9 HD3 LYS 9 -5.395 1.291 -17.480 72 HE2 LYS 9 HE2 LYS 9 -7.509 1.552 -15.833 73 HE3 LYS 9 HE3 LYS 9 -7.975 2.778 -16.995 74 HZ1 LYS 9 HZ1 LYS 9 -8.489 0.175 -17.329 75 HZ2 LYS 9 HZ2 LYS 9 -8.355 1.208 -18.581 76 H ASN 10 H ASN 10 -6.546 3.921 -12.427 77 HA ASN 10 HA ASN 10 -9.267 3.860 -13.453 78 HB2 ASN 10 HB2 ASN 10 -9.643 1.650 -12.525 79 HB3 ASN 10 HB3 ASN 10 -8.164 1.544 -13.459 80 HD21 ASN 10 HD21 ASN 10 -9.446 0.353 -10.863 81 HD22 ASN 10 HD22 ASN 10 -8.122 0.275 -9.749 82 H GLY 11 H GLY 11 -7.839 5.819 -11.753 83 HA2 GLY 11 HA2 GLY 11 -8.868 7.029 -10.005 84 HA3 GLY 11 HA3 GLY 11 -9.438 5.531 -9.297 85 H ASP 12 H ASP 12 -7.290 7.980 -8.804 86 HA ASP 12 HA ASP 12 -4.900 6.713 -8.290 87 HB2 ASP 12 HB2 ASP 12 -4.350 8.689 -6.967 88 HB3 ASP 12 HB3 ASP 12 -5.264 9.192 -8.375 89 HD2 ASP 12 HD2 ASP 12 -5.161 9.168 -5.061 90 H VAL 13 H VAL 13 -3.945 6.231 -6.068 91 HA VAL 13 HA VAL 13 -6.040 5.366 -4.195 92 HB VAL 13 HB VAL 13 -3.382 4.056 -4.802 93 HG11 VAL 13 HG11 VAL 13 -3.613 2.911 -2.903 94 HG12 VAL 13 HG12 VAL 13 -5.031 3.907 -2.497 95 HG13 VAL 13 HG13 VAL 13 -5.241 2.380 -3.387 96 HG21 VAL 13 HG21 VAL 13 -4.514 2.399 -6.012 97 HG22 VAL 13 HG22 VAL 13 -6.103 2.875 -5.366 98 HG23 VAL 13 HG23 VAL 13 -5.278 3.913 -6.553 99 H LYS 14 H LYS 14 -5.950 6.287 -2.208 100 HA LYS 14 HA LYS 14 -3.645 7.960 -1.646 101 HB2 LYS 14 HB2 LYS 14 -6.078 8.723 -1.467 102 HB3 LYS 14 HB3 LYS 14 -6.194 7.718 -0.036 103 HG2 LYS 14 HG2 LYS 14 -4.062 9.873 -0.407 104 HG3 LYS 14 HG3 LYS 14 -5.589 10.158 0.405 105 HD2 LYS 14 HD2 LYS 14 -4.612 7.812 1.623 106 HD3 LYS 14 HD3 LYS 14 -3.177 8.791 1.398 107 HE2 LYS 14 HE2 LYS 14 -4.595 10.751 2.406 108 HE3 LYS 14 HE3 LYS 14 -5.704 9.502 2.935 109 HZ1 LYS 14 HZ1 LYS 14 -3.998 8.513 4.251 110 HZ2 LYS 14 HZ2 LYS 14 -2.810 9.395 3.572 111 H PHE 15 H PHE 15 -1.926 6.991 -0.710 112 HA PHE 15 HA PHE 15 -2.513 4.878 1.238 113 HB2 PHE 15 HB2 PHE 15 -1.139 4.251 -0.763 114 HB3 PHE 15 HB3 PHE 15 -0.071 5.612 -0.484 115 HD1 PHE 15 HD1 PHE 15 -1.390 2.792 1.596 116 HD2 PHE 15 HD2 PHE 15 1.996 4.999 0.302 117 HE1 PHE 15 HE1 PHE 15 0.096 1.337 3.001 118 HE2 PHE 15 HE2 PHE 15 3.481 3.544 1.707 119 HZ PHE 15 HZ PHE 15 2.514 1.731 3.040 120 HA PRO 16 HA PRO 16 -0.886 7.782 4.187 121 HB2 PRO 16 HB2 PRO 16 -1.757 6.465 6.407 122 HB3 PRO 16 HB3 PRO 16 -2.894 7.279 5.284 123 HG2 PRO 16 HG2 PRO 16 -2.510 4.150 5.444 124 HG3 PRO 16 HG3 PRO 16 -3.688 5.483 5.206 125 HD2 PRO 16 HD2 PRO 16 -2.036 4.022 3.219 126 HD3 PRO 16 HD3 PRO 16 -3.380 5.169 2.933 127 H HIS 17 H HIS 17 1.413 7.496 3.865 128 HA HIS 17 HA HIS 17 2.592 5.041 4.753 129 HB2 HIS 17 HB2 HIS 17 3.411 6.281 2.778 130 HB3 HIS 17 HB3 HIS 17 3.860 7.627 3.806 131 HD1 HIS 17 HD1 HIS 17 5.815 7.119 5.620 132 HD2 HIS 17 HD2 HIS 17 5.301 4.271 2.583 133 HE1 HIS 17 HE1 HIS 17 7.939 5.705 5.598 134 H LYS 18 H LYS 18 1.171 5.942 6.888 135 HA LYS 18 HA LYS 18 3.316 6.742 8.694 136 HB2 LYS 18 HB2 LYS 18 2.426 8.845 8.553 137 HB3 LYS 18 HB3 LYS 18 0.823 8.276 8.133 138 HG2 LYS 18 HG2 LYS 18 0.820 9.213 10.416 139 HG3 LYS 18 HG3 LYS 18 0.461 7.499 10.468 140 HD2 LYS 18 HD2 LYS 18 2.862 7.019 11.014 141 HD3 LYS 18 HD3 LYS 18 3.209 8.736 10.979 142 HE2 LYS 18 HE2 LYS 18 1.538 9.096 12.825 143 HE3 LYS 18 HE3 LYS 18 1.238 7.370 12.876 144 HZ1 LYS 18 HZ1 LYS 18 3.715 7.139 13.302 145 HZ2 LYS 18 HZ2 LYS 18 3.776 8.749 13.536 146 H ALA 19 H ALA 19 -0.261 6.088 8.778 147 HA ALA 19 HA ALA 19 -0.222 4.737 11.180 148 HB1 ALA 19 HB1 ALA 19 -2.442 4.518 10.761 149 HB2 ALA 19 HB2 ALA 19 -2.104 5.536 9.342 150 HB3 ALA 19 HB3 ALA 19 -2.167 3.766 9.172 151 H HIS 20 H HIS 20 0.853 3.748 7.979 152 HA HIS 20 HA HIS 20 0.694 0.957 8.542 153 HB2 HIS 20 HB2 HIS 20 1.862 2.637 6.332 154 HB3 HIS 20 HB3 HIS 20 2.230 0.927 6.434 155 HD1 HIS 20 HD1 HIS 20 -0.588 3.320 5.715 156 HD2 HIS 20 HD2 HIS 20 0.090 -0.818 5.811 157 HE1 HIS 20 HE1 HIS 20 -2.608 2.238 4.591 158 H GLN 21 H GLN 21 2.522 3.360 9.898 159 HA GLN 21 HA GLN 21 4.976 1.834 9.898 160 HB2 GLN 21 HB2 GLN 21 4.277 4.575 11.036 161 HB3 GLN 21 HB3 GLN 21 5.859 3.836 11.181 162 HG2 GLN 21 HG2 GLN 21 6.206 3.859 8.792 163 HG3 GLN 21 HG3 GLN 21 4.517 4.201 8.472 164 HE21 GLN 21 HE21 GLN 21 6.935 5.627 7.673 165 HE22 GLN 21 HE22 GLN 21 6.786 7.257 8.239 166 H LYS 22 H LYS 22 2.618 3.284 12.255 167 HA LYS 22 HA LYS 22 3.772 1.986 14.479 168 HB2 LYS 22 HB2 LYS 22 1.136 3.386 14.000 169 HB3 LYS 22 HB3 LYS 22 1.535 2.653 15.541 170 HG2 LYS 22 HG2 LYS 22 3.672 4.391 14.388 171 HG3 LYS 22 HG3 LYS 22 2.200 5.231 14.831 172 HD2 LYS 22 HD2 LYS 22 2.746 3.423 16.976 173 HD3 LYS 22 HD3 LYS 22 4.283 4.157 16.562 174 HE2 LYS 22 HE2 LYS 22 2.940 6.427 16.567 175 HE3 LYS 22 HE3 LYS 22 1.724 5.529 17.454 176 HZ1 LYS 22 HZ1 LYS 22 3.474 4.936 19.082 177 HZ2 LYS 22 HZ2 LYS 22 4.562 5.841 18.276 178 H ALA 23 H ALA 23 1.519 1.025 11.949 179 HA ALA 23 HA ALA 23 0.512 -1.209 13.467 180 HB1 ALA 23 HB1 ALA 23 -0.984 -0.116 11.922 181 HB2 ALA 23 HB2 ALA 23 0.189 -0.268 10.592 182 HB3 ALA 23 HB3 ALA 23 -0.602 -1.720 11.251 183 H VAL 24 H VAL 24 3.137 -0.444 11.220 184 HA VAL 24 HA VAL 24 4.072 -3.188 11.535 185 HB VAL 24 HB VAL 24 3.870 -1.746 8.882 186 HG11 VAL 24 HG11 VAL 24 5.550 -3.069 8.239 187 HG12 VAL 24 HG12 VAL 24 5.545 -3.931 9.796 188 HG13 VAL 24 HG13 VAL 24 4.468 -4.461 8.482 189 HG21 VAL 24 HG21 VAL 24 2.181 -3.823 10.214 190 HG22 VAL 24 HG22 VAL 24 1.719 -2.495 9.122 191 HG23 VAL 24 HG23 VAL 24 2.464 -3.971 8.463 192 HA PRO 25 HA PRO 25 6.899 0.389 12.754 193 HB2 PRO 25 HB2 PRO 25 7.629 -2.048 14.441 194 HB3 PRO 25 HB3 PRO 25 7.677 -0.301 14.844 195 HG2 PRO 25 HG2 PRO 25 5.293 -1.686 15.671 196 HG3 PRO 25 HG3 PRO 25 5.647 -0.118 14.876 197 HD2 PRO 25 HD2 PRO 25 4.772 -2.783 13.608 198 HD3 PRO 25 HD3 PRO 25 3.970 -1.188 13.476 199 H ASP 26 H ASP 26 7.217 -3.006 11.642 200 HA ASP 26 HA ASP 26 10.005 -2.747 11.218 201 HB2 ASP 26 HB2 ASP 26 8.905 -4.940 11.622 202 HB3 ASP 26 HB3 ASP 26 7.958 -4.752 10.159 203 HD2 ASP 26 HD2 ASP 26 9.061 -6.843 10.072 204 H CYS 27 H CYS 27 10.823 -1.495 9.532 205 HA CYS 27 HA CYS 27 9.090 -0.828 7.337 206 HB2 CYS 27 HB2 CYS 27 11.969 -0.014 7.497 207 HB3 CYS 27 HB3 CYS 27 10.608 0.834 6.789 208 H LYS 28 H LYS 28 11.422 -3.236 8.211 209 HA LYS 28 HA LYS 28 12.444 -3.686 5.581 210 HB2 LYS 28 HB2 LYS 28 12.561 -5.429 8.061 211 HB3 LYS 28 HB3 LYS 28 13.507 -5.644 6.602 212 HG2 LYS 28 HG2 LYS 28 14.099 -3.030 7.124 213 HG3 LYS 28 HG3 LYS 28 13.780 -3.578 8.759 214 HD2 LYS 28 HD2 LYS 28 15.378 -5.611 7.527 215 HD3 LYS 28 HD3 LYS 28 16.111 -4.079 7.094 216 HE2 LYS 28 HE2 LYS 28 15.887 -3.454 9.616 217 HE3 LYS 28 HE3 LYS 28 15.554 -5.152 9.889 218 HZ1 LYS 28 HZ1 LYS 28 18.062 -3.897 9.180 219 HZ2 LYS 28 HZ2 LYS 28 17.803 -5.289 9.984 220 H LYS 29 H LYS 29 9.409 -4.093 6.948 221 HA LYS 29 HA LYS 29 8.760 -6.676 6.017 222 HB2 LYS 29 HB2 LYS 29 7.365 -4.357 7.201 223 HB3 LYS 29 HB3 LYS 29 6.376 -5.337 6.138 224 HG2 LYS 29 HG2 LYS 29 8.098 -6.542 8.349 225 HG3 LYS 29 HG3 LYS 29 6.438 -6.048 8.613 226 HD2 LYS 29 HD2 LYS 29 6.612 -7.672 6.194 227 HD3 LYS 29 HD3 LYS 29 7.356 -8.521 7.534 228 HE2 LYS 29 HE2 LYS 29 4.576 -7.259 7.654 229 HE3 LYS 29 HE3 LYS 29 4.866 -8.948 7.287 230 HZ1 LYS 29 HZ1 LYS 29 6.203 -8.853 9.520 231 HZ2 LYS 29 HZ2 LYS 29 5.280 -7.549 9.838 232 H CYS 30 H CYS 30 8.160 -3.352 4.683 233 HA CYS 30 HA CYS 30 7.406 -4.595 2.174 234 HB2 CYS 30 HB2 CYS 30 7.407 -1.634 2.801 235 HB3 CYS 30 HB3 CYS 30 6.545 -2.467 1.523 236 H HIS 31 H HIS 31 9.681 -2.085 3.506 237 HA HIS 31 HA HIS 31 11.144 -1.934 1.088 238 HB2 HIS 31 HB2 HIS 31 11.816 -0.999 3.892 239 HB3 HIS 31 HB3 HIS 31 12.726 -0.587 2.452 240 HD1 HIS 31 HD1 HIS 31 10.984 0.534 0.462 241 HD2 HIS 31 HD2 HIS 31 10.021 0.945 4.524 242 HE1 HIS 31 HE1 HIS 31 9.365 2.501 0.618 243 H GLU 32 H GLU 32 12.233 -3.685 0.319 244 HA GLU 32 HA GLU 32 13.359 -5.526 2.204 245 HB2 GLU 32 HB2 GLU 32 12.709 -5.502 -0.692 246 HB3 GLU 32 HB3 GLU 32 14.170 -6.386 -0.300 247 HG2 GLU 32 HG2 GLU 32 12.810 -7.577 1.540 248 HG3 GLU 32 HG3 GLU 32 11.379 -6.846 0.839 249 HE2 GLU 32 HE2 GLU 32 10.708 -7.589 -1.062 250 H LYS 33 H LYS 33 14.503 -3.333 -0.450 251 HA LYS 33 HA LYS 33 17.242 -3.776 0.424 252 HB2 LYS 33 HB2 LYS 33 16.087 -2.298 -1.959 253 HB3 LYS 33 HB3 LYS 33 17.798 -2.450 -1.613 254 HG2 LYS 33 HG2 LYS 33 16.885 -5.092 -1.417 255 HG3 LYS 33 HG3 LYS 33 15.926 -4.444 -2.733 256 HD2 LYS 33 HD2 LYS 33 17.780 -4.077 -4.102 257 HD3 LYS 33 HD3 LYS 33 18.863 -3.799 -2.753 258 HE2 LYS 33 HE2 LYS 33 17.953 -6.503 -2.503 259 HE3 LYS 33 HE3 LYS 33 18.349 -6.274 -4.194 260 HZ1 LYS 33 HZ1 LYS 33 20.131 -6.472 -1.998 261 HZ2 LYS 33 HZ2 LYS 33 20.490 -6.464 -3.587 262 H GLY 34 H GLY 34 15.290 -2.440 2.198 263 HA2 GLY 34 HA2 GLY 34 15.650 -0.781 3.742 264 HA3 GLY 34 HA3 GLY 34 16.864 -0.053 2.709 265 HA PRO 35 HA PRO 35 12.682 2.275 2.779 266 HB2 PRO 35 HB2 PRO 35 13.926 4.675 3.489 267 HB3 PRO 35 HB3 PRO 35 13.231 3.499 4.651 268 HG2 PRO 35 HG2 PRO 35 16.005 3.701 3.694 269 HG3 PRO 35 HG3 PRO 35 15.722 3.551 5.459 270 HD2 PRO 35 HD2 PRO 35 16.326 1.328 4.266 271 HD3 PRO 35 HD3 PRO 35 14.732 1.301 5.080 272 H GLY 36 H GLY 36 12.018 3.458 0.929 273 HA2 GLY 36 HA2 GLY 36 13.087 5.231 -0.620 274 HA3 GLY 36 HA3 GLY 36 14.139 3.900 -1.060 275 H LYS 37 H LYS 37 13.177 4.280 -3.270 276 HA LYS 37 HA LYS 37 10.426 3.662 -3.653 277 HB2 LYS 37 HB2 LYS 37 12.173 5.085 -5.074 278 HB3 LYS 37 HB3 LYS 37 12.419 3.549 -5.881 279 HG2 LYS 37 HG2 LYS 37 9.560 4.258 -5.410 280 HG3 LYS 37 HG3 LYS 37 10.407 5.335 -6.501 281 HD2 LYS 37 HD2 LYS 37 10.796 2.377 -6.909 282 HD3 LYS 37 HD3 LYS 37 9.238 3.049 -7.349 283 HE2 LYS 37 HE2 LYS 37 10.448 4.795 -8.745 284 HE3 LYS 37 HE3 LYS 37 11.958 3.983 -8.383 285 HZ1 LYS 37 HZ1 LYS 37 9.657 2.819 -9.852 286 HZ2 LYS 37 HZ2 LYS 37 11.137 3.136 -10.454 287 H ILE 38 H ILE 38 9.512 1.770 -4.622 288 HA ILE 38 HA ILE 38 11.186 -0.592 -4.165 289 HB ILE 38 HB ILE 38 8.181 -0.293 -4.215 290 HG12 ILE 38 HG12 ILE 38 9.998 -0.824 -1.850 291 HG13 ILE 38 HG13 ILE 38 9.383 0.763 -2.268 292 HG21 ILE 38 HG21 ILE 38 8.140 -2.482 -4.601 293 HG22 ILE 38 HG22 ILE 38 9.906 -2.619 -4.426 294 HG23 ILE 38 HG23 ILE 38 8.861 -2.701 -2.988 295 HD11 ILE 38 HD11 ILE 38 7.835 -1.680 -1.358 296 HD12 ILE 38 HD12 ILE 38 7.807 -0.029 -0.693 297 HD13 ILE 38 HD13 ILE 38 7.021 -0.374 -2.252 298 H GLU 39 H GLU 39 11.988 -1.596 -5.922 299 HA GLU 39 HA GLU 39 10.939 -0.842 -8.476 300 HB2 GLU 39 HB2 GLU 39 12.839 -2.326 -9.312 301 HB3 GLU 39 HB3 GLU 39 13.326 -0.950 -8.343 302 HG2 GLU 39 HG2 GLU 39 12.759 -3.418 -6.772 303 HG3 GLU 39 HG3 GLU 39 14.112 -3.562 -7.877 304 HE2 GLU 39 HE2 GLU 39 14.592 -1.922 -4.484 305 H GLY 40 H GLY 40 9.740 -2.137 -9.885 306 HA2 GLY 40 HA2 GLY 40 9.001 -4.228 -10.670 307 HA3 GLY 40 HA3 GLY 40 9.254 -4.925 -9.082 308 H PHE 41 H PHE 41 8.017 -2.731 -7.546 309 HA PHE 41 HA PHE 41 5.543 -3.590 -7.149 310 HB2 PHE 41 HB2 PHE 41 6.802 -1.706 -5.983 311 HB3 PHE 41 HB3 PHE 41 6.477 -0.663 -7.353 312 HD1 PHE 41 HD1 PHE 41 4.560 -2.833 -4.986 313 HD2 PHE 41 HD2 PHE 41 4.736 0.823 -7.132 314 HE1 PHE 41 HE1 PHE 41 2.408 -2.104 -3.919 315 HE2 PHE 41 HE2 PHE 41 2.584 1.553 -6.066 316 HZ PHE 41 HZ PHE 41 1.446 0.081 -4.472 317 H GLY 42 H GLY 42 3.347 -2.748 -7.712 318 HA2 GLY 42 HA2 GLY 42 2.684 -1.093 -9.771 319 HA3 GLY 42 HA3 GLY 42 3.051 -2.611 -10.566 320 H LYS 43 H LYS 43 0.786 -2.797 -11.202 321 HA LYS 43 HA LYS 43 -1.310 -2.756 -9.367 322 HB2 LYS 43 HB2 LYS 43 -1.371 -2.614 -11.919 323 HB3 LYS 43 HB3 LYS 43 -1.238 -4.361 -11.930 324 HG2 LYS 43 HG2 LYS 43 -3.252 -3.933 -10.046 325 HG3 LYS 43 HG3 LYS 43 -3.549 -2.652 -11.204 326 HD2 LYS 43 HD2 LYS 43 -2.987 -4.972 -12.762 327 HD3 LYS 43 HD3 LYS 43 -4.038 -5.518 -11.471 328 HE2 LYS 43 HE2 LYS 43 -5.710 -3.797 -12.028 329 HE3 LYS 43 HE3 LYS 43 -4.636 -3.081 -13.213 330 HZ1 LYS 43 HZ1 LYS 43 -5.398 -5.919 -13.475 331 HZ2 LYS 43 HZ2 LYS 43 -6.411 -4.762 -14.010 332 H GLU 44 H GLU 44 -0.236 -5.765 -11.067 333 HA GLU 44 HA GLU 44 -1.302 -7.571 -9.509 334 HB2 GLU 44 HB2 GLU 44 1.441 -7.514 -10.789 335 HB3 GLU 44 HB3 GLU 44 0.933 -8.926 -9.885 336 HG2 GLU 44 HG2 GLU 44 0.412 -8.629 -12.525 337 HG3 GLU 44 HG3 GLU 44 -0.632 -9.549 -11.460 338 HE2 GLU 44 HE2 GLU 44 -1.192 -7.020 -13.743 339 H MET 45 H MET 45 1.547 -5.581 -8.642 340 HA MET 45 HA MET 45 2.172 -7.049 -6.335 341 HB2 MET 45 HB2 MET 45 3.402 -5.093 -7.810 342 HB3 MET 45 HB3 MET 45 2.774 -4.095 -6.513 343 HG2 MET 45 HG2 MET 45 4.846 -4.710 -5.613 344 HG3 MET 45 HG3 MET 45 3.821 -5.959 -4.933 345 HE1 MET 45 HE1 MET 45 7.062 -7.894 -5.698 346 HE2 MET 45 HE2 MET 45 7.268 -6.127 -5.755 347 HE3 MET 45 HE3 MET 45 6.197 -6.859 -4.537 348 H ALA 46 H ALA 46 0.541 -3.825 -6.795 349 HA ALA 46 HA ALA 46 -0.070 -3.350 -4.163 350 HB1 ALA 46 HB1 ALA 46 -0.318 -1.770 -6.080 351 HB2 ALA 46 HB2 ALA 46 -1.748 -2.685 -6.616 352 HB3 ALA 46 HB3 ALA 46 -1.770 -1.836 -5.052 353 H HIS 47 H HIS 47 -2.070 -5.068 -6.664 354 HA HIS 47 HA HIS 47 -4.074 -5.730 -4.788 355 HB2 HIS 47 HB2 HIS 47 -3.474 -6.944 -7.501 356 HB3 HIS 47 HB3 HIS 47 -4.960 -7.140 -6.591 357 HD1 HIS 47 HD1 HIS 47 -4.653 -5.777 -9.489 358 HD2 HIS 47 HD2 HIS 47 -5.131 -3.789 -5.827 359 HE1 HIS 47 HE1 HIS 47 -5.627 -3.484 -10.042 360 H GLY 48 H GLY 48 -1.061 -7.255 -5.939 361 HA2 GLY 48 HA2 GLY 48 -1.606 -9.825 -4.813 362 HA3 GLY 48 HA3 GLY 48 -0.074 -9.220 -5.411 363 H LYS 49 H LYS 49 1.370 -9.636 -3.764 364 HA LYS 49 HA LYS 49 0.555 -9.145 -1.036 365 HB2 LYS 49 HB2 LYS 49 2.612 -10.220 -0.430 366 HB3 LYS 49 HB3 LYS 49 1.838 -11.170 -1.682 367 HG2 LYS 49 HG2 LYS 49 3.314 -10.150 -3.403 368 HG3 LYS 49 HG3 LYS 49 4.058 -9.131 -2.185 369 HD2 LYS 49 HD2 LYS 49 4.546 -11.446 -0.960 370 HD3 LYS 49 HD3 LYS 49 4.305 -12.126 -2.557 371 HE2 LYS 49 HE2 LYS 49 6.475 -11.606 -2.993 372 HE3 LYS 49 HE3 LYS 49 5.980 -9.925 -3.048 373 HZ1 LYS 49 HZ1 LYS 49 7.001 -9.542 -1.089 374 HZ2 LYS 49 HZ2 LYS 49 6.351 -10.844 -0.357 375 H GLY 50 H GLY 50 0.458 -6.819 -2.675 376 HA2 GLY 50 HA2 GLY 50 2.845 -5.319 -1.796 377 HA3 GLY 50 HA3 GLY 50 1.809 -4.901 -3.146 378 H CYS 51 H CYS 51 -0.769 -5.093 -2.166 379 HA CYS 51 HA CYS 51 -0.723 -3.322 0.167 380 HB2 CYS 51 HB2 CYS 51 -2.474 -3.059 -2.286 381 HB3 CYS 51 HB3 CYS 51 -2.662 -2.129 -0.812 382 H LYS 52 H LYS 52 -3.492 -4.532 -1.791 383 HA LYS 52 HA LYS 52 -5.058 -5.328 0.250 384 HB2 LYS 52 HB2 LYS 52 -4.773 -6.354 -2.571 385 HB3 LYS 52 HB3 LYS 52 -5.968 -7.032 -1.484 386 HG2 LYS 52 HG2 LYS 52 -6.361 -4.319 -1.088 387 HG3 LYS 52 HG3 LYS 52 -5.889 -4.351 -2.776 388 HD2 LYS 52 HD2 LYS 52 -7.977 -6.297 -1.741 389 HD3 LYS 52 HD3 LYS 52 -8.431 -4.653 -2.145 390 HE2 LYS 52 HE2 LYS 52 -8.405 -5.116 -4.369 391 HE3 LYS 52 HE3 LYS 52 -6.773 -5.747 -4.276 392 HZ1 LYS 52 HZ1 LYS 52 -8.720 -7.538 -3.143 393 HZ2 LYS 52 HZ2 LYS 52 -8.990 -7.252 -4.723 394 H GLY 53 H GLY 53 -2.613 -7.388 -1.465 395 HA2 GLY 53 HA2 GLY 53 -2.803 -9.790 -0.453 396 HA3 GLY 53 HA3 GLY 53 -1.259 -8.963 -0.478 397 H CYS 54 H CYS 54 -1.019 -7.276 1.485 398 HA CYS 54 HA CYS 54 -0.932 -8.805 3.786 399 HB2 CYS 54 HB2 CYS 54 0.508 -6.843 3.353 400 HB3 CYS 54 HB3 CYS 54 -0.872 -5.779 3.538 401 H HIS 55 H HIS 55 -3.207 -6.175 2.730 402 HA HIS 55 HA HIS 55 -4.778 -6.000 4.917 403 HB2 HIS 55 HB2 HIS 55 -5.510 -5.882 1.985 404 HB3 HIS 55 HB3 HIS 55 -6.640 -5.475 3.261 405 HD1 HIS 55 HD1 HIS 55 -6.276 -3.151 1.608 406 HD2 HIS 55 HD2 HIS 55 -3.407 -4.098 4.518 407 HE1 HIS 55 HE1 HIS 55 -4.989 -0.997 2.071 408 H GLU 56 H GLU 56 -5.726 -8.058 2.073 409 HA GLU 56 HA GLU 56 -7.651 -9.442 3.416 410 HB2 GLU 56 HB2 GLU 56 -6.948 -11.291 1.592 411 HB3 GLU 56 HB3 GLU 56 -7.791 -9.820 1.150 412 HG2 GLU 56 HG2 GLU 56 -5.934 -8.887 0.134 413 HG3 GLU 56 HG3 GLU 56 -4.814 -9.584 1.287 414 HE2 GLU 56 HE2 GLU 56 -5.812 -9.879 -1.829 415 H GLU 57 H GLU 57 -4.180 -9.656 3.693 416 HA GLU 57 HA GLU 57 -3.920 -12.307 4.411 417 HB2 GLU 57 HB2 GLU 57 -2.209 -10.200 4.063 418 HB3 GLU 57 HB3 GLU 57 -2.182 -10.322 5.811 419 HG2 GLU 57 HG2 GLU 57 -0.413 -11.730 4.754 420 HG3 GLU 57 HG3 GLU 57 -1.535 -12.691 5.696 421 HE2 GLU 57 HE2 GLU 57 -2.746 -14.148 4.598 422 H MET 58 H MET 58 -4.414 -9.353 6.466 423 HA MET 58 HA MET 58 -4.991 -11.145 8.679 424 HB2 MET 58 HB2 MET 58 -4.521 -8.112 8.576 425 HB3 MET 58 HB3 MET 58 -4.756 -9.030 10.051 426 HG2 MET 58 HG2 MET 58 -2.658 -10.268 8.438 427 HG3 MET 58 HG3 MET 58 -2.300 -8.569 8.676 428 HE1 MET 58 HE1 MET 58 -2.533 -7.838 12.158 429 HE2 MET 58 HE2 MET 58 -0.877 -8.070 11.548 430 HE3 MET 58 HE3 MET 58 -2.132 -7.396 10.481 431 H LYS 59 H LYS 59 -6.674 -9.893 6.180 432 HA LYS 59 HA LYS 59 -8.818 -9.514 5.810 433 HB2 LYS 59 HB2 LYS 59 -8.931 -10.745 8.526 434 HB3 LYS 59 HB3 LYS 59 -10.370 -9.924 7.957 435 HG2 LYS 59 HG2 LYS 59 -10.727 -12.067 7.092 436 HG3 LYS 59 HG3 LYS 59 -9.952 -11.292 5.725 437 HD2 LYS 59 HD2 LYS 59 -8.261 -12.798 5.796 438 HD3 LYS 59 HD3 LYS 59 -7.863 -12.303 7.429 439 HE2 LYS 59 HE2 LYS 59 -9.503 -13.889 8.366 440 HE3 LYS 59 HE3 LYS 59 -10.073 -14.305 6.762 441 HZ1 LYS 59 HZ1 LYS 59 -8.533 -15.974 7.242 442 HZ2 LYS 59 HZ2 LYS 59 -7.612 -14.958 6.364 443 H LYS 60 H LYS 60 -6.791 -7.634 7.468 444 HA LYS 60 HA LYS 60 -8.825 -5.654 8.196 445 HB2 LYS 60 HB2 LYS 60 -5.886 -5.720 8.936 446 HB3 LYS 60 HB3 LYS 60 -7.094 -4.601 9.534 447 HG2 LYS 60 HG2 LYS 60 -8.050 -7.317 9.923 448 HG3 LYS 60 HG3 LYS 60 -6.429 -7.187 10.574 449 HD2 LYS 60 HD2 LYS 60 -7.801 -6.527 12.391 450 HD3 LYS 60 HD3 LYS 60 -7.246 -5.002 11.729 451 HE2 LYS 60 HE2 LYS 60 -9.506 -4.514 11.821 452 HE3 LYS 60 HE3 LYS 60 -9.479 -5.254 10.233 453 HZ1 LYS 60 HZ1 LYS 60 -11.168 -6.126 11.951 454 HZ2 LYS 60 HZ2 LYS 60 -10.354 -7.239 11.085 455 H GLY 61 H GLY 61 -8.686 -3.498 7.374 456 HA2 GLY 61 HA2 GLY 61 -7.831 -1.842 6.007 457 HA3 GLY 61 HA3 GLY 61 -6.722 -2.987 5.277 458 HA PRO 62 HA PRO 62 -10.660 -2.181 2.685 459 HB2 PRO 62 HB2 PRO 62 -9.439 -0.650 0.728 460 HB3 PRO 62 HB3 PRO 62 -10.176 0.035 2.213 461 HG2 PRO 62 HG2 PRO 62 -7.435 -0.682 1.624 462 HG3 PRO 62 HG3 PRO 62 -7.878 0.891 2.364 463 HD2 PRO 62 HD2 PRO 62 -6.941 -1.059 3.935 464 HD3 PRO 62 HD3 PRO 62 -8.420 -0.197 4.458 465 H THR 63 H THR 63 -11.014 -4.021 1.447 466 HA THR 63 HA THR 63 -8.739 -4.931 -0.190 467 HB THR 63 HB THR 63 -9.470 -7.241 0.339 468 HG1 THR 63 HG1 THR 63 -11.345 -5.839 2.101 469 HG21 THR 63 HG21 THR 63 -9.538 -6.914 3.037 470 HG22 THR 63 HG22 THR 63 -8.023 -6.787 2.112 471 HG23 THR 63 HG23 THR 63 -8.904 -5.314 2.583 472 H LYS 64 H LYS 64 -11.858 -3.619 -0.136 473 HA LYS 64 HA LYS 64 -12.593 -4.965 -2.623 474 HB2 LYS 64 HB2 LYS 64 -14.247 -3.082 -0.918 475 HB3 LYS 64 HB3 LYS 64 -14.808 -4.066 -2.255 476 HG2 LYS 64 HG2 LYS 64 -13.443 -5.819 -0.426 477 HG3 LYS 64 HG3 LYS 64 -14.512 -4.808 0.527 478 HD2 LYS 64 HD2 LYS 64 -16.040 -6.443 -0.057 479 HD3 LYS 64 HD3 LYS 64 -16.249 -5.397 -1.448 480 HE2 LYS 64 HE2 LYS 64 -15.901 -7.443 -2.519 481 HE3 LYS 64 HE3 LYS 64 -14.259 -6.835 -2.477 482 HZ1 LYS 64 HZ1 LYS 64 -13.684 -8.554 -1.172 483 HZ2 LYS 64 HZ2 LYS 64 -14.826 -8.210 -0.064 484 H CYS 65 H CYS 65 -13.348 -3.617 -4.460 485 HA CYS 65 HA CYS 65 -11.449 -1.611 -4.995 486 HB2 CYS 65 HB2 CYS 65 -13.911 -1.809 -6.652 487 HB3 CYS 65 HB3 CYS 65 -12.236 -1.628 -7.135 488 H GLY 66 H GLY 66 -12.029 0.693 -5.586 489 HA2 GLY 66 HA2 GLY 66 -13.289 2.600 -5.386 490 HA3 GLY 66 HA3 GLY 66 -14.519 1.722 -4.499 491 H GLU 67 H GLU 67 -12.648 0.468 -2.564 492 HA GLU 67 HA GLU 67 -12.608 2.606 -0.730 493 HB2 GLU 67 HB2 GLU 67 -12.703 -0.152 -0.549 494 HB3 GLU 67 HB3 GLU 67 -11.057 0.169 -0.041 495 HG2 GLU 67 HG2 GLU 67 -11.926 1.860 1.616 496 HG3 GLU 67 HG3 GLU 67 -13.564 1.461 1.136 497 HE2 GLU 67 HE2 GLU 67 -13.657 -1.621 2.474 498 H CYS 68 H CYS 68 -10.396 1.419 -3.125 499 HA CYS 68 HA CYS 68 -8.205 2.834 -1.792 500 HB2 CYS 68 HB2 CYS 68 -8.308 0.273 -3.176 501 HB3 CYS 68 HB3 CYS 68 -7.118 1.336 -3.901 502 H HIS 69 H HIS 69 -9.824 2.102 -4.958 503 HA HIS 69 HA HIS 69 -8.517 4.381 -6.154 504 HB2 HIS 69 HB2 HIS 69 -10.489 2.383 -7.299 505 HB3 HIS 69 HB3 HIS 69 -9.656 3.625 -8.213 506 HD1 HIS 69 HD1 HIS 69 -6.888 3.407 -8.126 507 HD2 HIS 69 HD2 HIS 69 -9.141 0.000 -7.170 508 HE1 HIS 69 HE1 HIS 69 -5.308 1.417 -8.358 509 H LYS 70 H LYS 70 -9.319 6.334 -5.500 510 HA LYS 70 HA LYS 70 -12.247 6.580 -5.477 511 HB2 LYS 70 HB2 LYS 70 -10.105 7.824 -3.764 512 HB3 LYS 70 HB3 LYS 70 -11.643 8.634 -3.985 513 HG2 LYS 70 HG2 LYS 70 -12.179 5.845 -3.451 514 HG3 LYS 70 HG3 LYS 70 -11.029 6.409 -2.255 515 HD2 LYS 70 HD2 LYS 70 -12.844 8.528 -2.382 516 HD3 LYS 70 HD3 LYS 70 -13.880 7.133 -2.613 517 HE2 LYS 70 HE2 LYS 70 -13.664 6.484 -0.438 518 HE3 LYS 70 HE3 LYS 70 -11.920 6.646 -0.480 519 HZ1 LYS 70 HZ1 LYS 70 -12.423 9.165 -0.362 520 HZ2 LYS 70 HZ2 LYS 70 -13.909 8.733 0.147 521 H LYS 71 H LYS 71 -13.045 7.621 -7.214 522 HA LYS 71 HA LYS 71 -11.249 9.178 -8.840 523 HB2 LYS 71 HB2 LYS 71 -13.326 7.527 -9.420 524 HB3 LYS 71 HB3 LYS 71 -14.146 9.074 -9.471 525 HG2 LYS 71 HG2 LYS 71 -11.692 9.522 -10.817 526 HG3 LYS 71 HG3 LYS 71 -12.213 7.940 -11.363 527 HD2 LYS 71 HD2 LYS 71 -14.063 8.772 -12.468 528 HD3 LYS 71 HD3 LYS 71 -14.372 10.000 -11.256 529 HE2 LYS 71 HE2 LYS 71 -12.727 11.487 -12.168 530 HE3 LYS 71 HE3 LYS 71 -11.956 10.212 -13.091 531 HZ1 LYS 71 HZ1 LYS 71 -14.546 11.519 -13.650 532 HZ2 LYS 71 HZ2 LYS 71 -13.270 11.352 -14.647 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 7.347 13.731 3.447 2 HA ALA 1 HA ALA 1 5.660 13.331 5.451 3 HB1 ALA 1 HB1 ALA 1 4.291 13.229 2.830 4 HB2 ALA 1 HB2 ALA 1 4.194 14.446 4.125 5 HB3 ALA 1 HB3 ALA 1 5.538 14.493 2.958 6 H ASP 2 H ASP 2 3.346 12.106 5.150 7 HA ASP 2 HA ASP 2 4.131 9.325 4.815 8 HB2 ASP 2 HB2 ASP 2 1.514 9.821 6.073 9 HB3 ASP 2 HB3 ASP 2 2.854 8.848 6.648 10 HD2 ASP 2 HD2 ASP 2 4.214 11.229 8.623 11 H ASP 3 H ASP 3 1.577 11.811 4.175 12 HA ASP 3 HA ASP 3 -0.179 10.166 2.836 13 HB2 ASP 3 HB2 ASP 3 0.127 12.974 1.847 14 HB3 ASP 3 HB3 ASP 3 -1.323 12.127 2.346 15 HD2 ASP 3 HD2 ASP 3 1.142 13.579 5.100 16 H ILE 4 H ILE 4 0.196 9.049 0.917 17 HA ILE 4 HA ILE 4 1.828 10.399 -1.109 18 HB ILE 4 HB ILE 4 2.062 7.531 -0.199 19 HG12 ILE 4 HG12 ILE 4 4.053 9.819 -0.183 20 HG13 ILE 4 HG13 ILE 4 3.234 9.161 1.220 21 HG21 ILE 4 HG21 ILE 4 3.338 7.002 -2.030 22 HG22 ILE 4 HG22 ILE 4 2.144 8.099 -2.765 23 HG23 ILE 4 HG23 ILE 4 3.772 8.697 -2.362 24 HD11 ILE 4 HD11 ILE 4 5.018 7.514 -0.631 25 HD12 ILE 4 HD12 ILE 4 5.562 8.248 0.897 26 HD13 ILE 4 HD13 ILE 4 4.309 6.984 0.914 27 H VAL 5 H VAL 5 0.865 10.491 -3.082 28 HA VAL 5 HA VAL 5 -1.628 8.986 -3.350 29 HB VAL 5 HB VAL 5 -0.540 11.413 -4.790 30 HG11 VAL 5 HG11 VAL 5 -2.672 9.551 -5.500 31 HG12 VAL 5 HG12 VAL 5 -3.271 11.217 -5.316 32 HG13 VAL 5 HG13 VAL 5 -1.942 10.870 -6.448 33 HG21 VAL 5 HG21 VAL 5 -3.060 11.761 -3.398 34 HG22 VAL 5 HG22 VAL 5 -1.796 11.183 -2.286 35 HG23 VAL 5 HG23 VAL 5 -1.537 12.667 -3.235 36 H LEU 6 H LEU 6 -1.664 7.193 -4.598 37 HA LEU 6 HA LEU 6 0.604 6.793 -6.395 38 HB2 LEU 6 HB2 LEU 6 -1.422 4.863 -5.256 39 HB3 LEU 6 HB3 LEU 6 -0.150 4.430 -6.381 40 HG LEU 6 HG LEU 6 0.370 5.641 -3.654 41 HD11 LEU 6 HD11 LEU 6 0.133 2.755 -4.503 42 HD12 LEU 6 HD12 LEU 6 1.078 3.255 -3.080 43 HD13 LEU 6 HD13 LEU 6 -0.667 3.595 -3.153 44 HD21 LEU 6 HD21 LEU 6 2.259 6.035 -4.975 45 HD22 LEU 6 HD22 LEU 6 2.647 4.540 -4.091 46 HD23 LEU 6 HD23 LEU 6 2.135 4.459 -5.794 47 H LYS 7 H LYS 7 0.052 8.027 -8.205 48 HA LYS 7 HA LYS 7 -2.418 8.351 -9.293 49 HB2 LYS 7 HB2 LYS 7 -1.308 9.017 -11.292 50 HB3 LYS 7 HB3 LYS 7 -0.290 9.496 -9.949 51 HG2 LYS 7 HG2 LYS 7 0.509 6.838 -10.608 52 HG3 LYS 7 HG3 LYS 7 0.309 7.665 -12.140 53 HD2 LYS 7 HD2 LYS 7 2.405 8.486 -11.774 54 HD3 LYS 7 HD3 LYS 7 1.631 9.596 -10.659 55 HE2 LYS 7 HE2 LYS 7 3.449 8.539 -9.457 56 HE3 LYS 7 HE3 LYS 7 1.959 7.880 -8.812 57 HZ1 LYS 7 HZ1 LYS 7 4.051 6.478 -10.067 58 HZ2 LYS 7 HZ2 LYS 7 2.704 5.859 -9.394 59 H ALA 8 H ALA 8 -3.841 7.185 -10.546 60 HA ALA 8 HA ALA 8 -2.936 4.641 -11.621 61 HB1 ALA 8 HB1 ALA 8 -4.043 4.641 -9.132 62 HB2 ALA 8 HB2 ALA 8 -5.509 4.518 -10.134 63 HB3 ALA 8 HB3 ALA 8 -4.219 3.303 -10.292 64 H LYS 9 H LYS 9 -4.085 4.033 -13.479 65 HA LYS 9 HA LYS 9 -5.608 6.154 -14.660 66 HB2 LYS 9 HB2 LYS 9 -5.503 4.842 -16.664 67 HB3 LYS 9 HB3 LYS 9 -3.925 4.815 -15.904 68 HG2 LYS 9 HG2 LYS 9 -4.089 2.568 -15.297 69 HG3 LYS 9 HG3 LYS 9 -5.833 2.620 -15.141 70 HD2 LYS 9 HD2 LYS 9 -5.297 3.183 -17.883 71 HD3 LYS 9 HD3 LYS 9 -4.220 1.868 -17.455 72 HE2 LYS 9 HE2 LYS 9 -5.936 0.368 -17.261 73 HE3 LYS 9 HE3 LYS 9 -6.932 1.487 -16.352 74 HZ1 LYS 9 HZ1 LYS 9 -7.217 0.818 -19.031 75 HZ2 LYS 9 HZ2 LYS 9 -8.069 1.944 -18.219 76 H ASN 10 H ASN 10 -6.396 4.017 -12.307 77 HA ASN 10 HA ASN 10 -9.113 3.826 -13.339 78 HB2 ASN 10 HB2 ASN 10 -7.497 1.624 -12.935 79 HB3 ASN 10 HB3 ASN 10 -8.228 1.764 -11.349 80 HD21 ASN 10 HD21 ASN 10 -9.802 0.367 -11.183 81 HD22 ASN 10 HD22 ASN 10 -11.055 0.053 -12.337 82 H GLY 11 H GLY 11 -7.703 5.854 -11.625 83 HA2 GLY 11 HA2 GLY 11 -8.805 7.083 -9.929 84 HA3 GLY 11 HA3 GLY 11 -9.382 5.589 -9.218 85 H ASP 12 H ASP 12 -7.206 8.066 -8.782 86 HA ASP 12 HA ASP 12 -4.837 6.867 -8.175 87 HB2 ASP 12 HB2 ASP 12 -4.401 8.829 -6.765 88 HB3 ASP 12 HB3 ASP 12 -5.243 9.326 -8.218 89 HD2 ASP 12 HD2 ASP 12 -7.057 11.248 -6.444 90 H VAL 13 H VAL 13 -3.912 6.333 -5.964 91 HA VAL 13 HA VAL 13 -6.014 5.395 -4.134 92 HB VAL 13 HB VAL 13 -3.337 4.132 -4.757 93 HG11 VAL 13 HG11 VAL 13 -4.737 3.966 -2.400 94 HG12 VAL 13 HG12 VAL 13 -5.362 2.565 -3.302 95 HG13 VAL 13 HG13 VAL 13 -3.613 2.731 -3.017 96 HG21 VAL 13 HG21 VAL 13 -5.542 4.037 -6.351 97 HG22 VAL 13 HG22 VAL 13 -4.335 2.735 -6.228 98 HG23 VAL 13 HG23 VAL 13 -5.841 2.645 -5.284 99 H LYS 14 H LYS 14 -5.995 6.403 -2.196 100 HA LYS 14 HA LYS 14 -3.698 8.038 -1.551 101 HB2 LYS 14 HB2 LYS 14 -6.114 8.805 -1.393 102 HB3 LYS 14 HB3 LYS 14 -6.288 7.739 -0.013 103 HG2 LYS 14 HG2 LYS 14 -4.201 9.960 -0.237 104 HG3 LYS 14 HG3 LYS 14 -5.713 10.101 0.637 105 HD2 LYS 14 HD2 LYS 14 -4.869 7.889 1.865 106 HD3 LYS 14 HD3 LYS 14 -3.294 8.407 1.298 107 HE2 LYS 14 HE2 LYS 14 -4.610 10.724 2.389 108 HE3 LYS 14 HE3 LYS 14 -4.821 9.419 3.539 109 HZ1 LYS 14 HZ1 LYS 14 -2.670 10.780 3.676 110 HZ2 LYS 14 HZ2 LYS 14 -2.503 9.161 3.743 111 H PHE 15 H PHE 15 -1.977 6.987 -0.689 112 HA PHE 15 HA PHE 15 -2.565 4.862 1.237 113 HB2 PHE 15 HB2 PHE 15 -1.148 4.309 -0.757 114 HB3 PHE 15 HB3 PHE 15 -0.105 5.676 -0.421 115 HD1 PHE 15 HD1 PHE 15 -1.431 2.837 1.625 116 HD2 PHE 15 HD2 PHE 15 1.967 5.016 0.316 117 HE1 PHE 15 HE1 PHE 15 0.051 1.365 3.018 118 HE2 PHE 15 HE2 PHE 15 3.448 3.544 1.708 119 HZ PHE 15 HZ PHE 15 2.472 1.736 3.043 120 HA PRO 16 HA PRO 16 -1.032 7.710 4.287 121 HB2 PRO 16 HB2 PRO 16 -1.909 6.320 6.459 122 HB3 PRO 16 HB3 PRO 16 -3.047 7.139 5.339 123 HG2 PRO 16 HG2 PRO 16 -2.601 4.012 5.420 124 HG3 PRO 16 HG3 PRO 16 -3.800 5.330 5.207 125 HD2 PRO 16 HD2 PRO 16 -2.098 3.957 3.199 126 HD3 PRO 16 HD3 PRO 16 -3.459 5.088 2.930 127 H HIS 17 H HIS 17 1.278 7.452 3.954 128 HA HIS 17 HA HIS 17 2.485 5.005 4.821 129 HB2 HIS 17 HB2 HIS 17 3.299 6.289 2.870 130 HB3 HIS 17 HB3 HIS 17 3.725 7.622 3.925 131 HD1 HIS 17 HD1 HIS 17 5.667 7.096 5.753 132 HD2 HIS 17 HD2 HIS 17 5.221 4.316 2.644 133 HE1 HIS 17 HE1 HIS 17 7.810 5.712 5.720 134 H LYS 18 H LYS 18 1.022 5.881 6.952 135 HA LYS 18 HA LYS 18 3.145 6.691 8.785 136 HB2 LYS 18 HB2 LYS 18 2.055 8.766 8.407 137 HB3 LYS 18 HB3 LYS 18 0.461 8.043 8.468 138 HG2 LYS 18 HG2 LYS 18 0.465 8.739 10.648 139 HG3 LYS 18 HG3 LYS 18 1.419 7.297 10.933 140 HD2 LYS 18 HD2 LYS 18 3.391 8.477 11.206 141 HD3 LYS 18 HD3 LYS 18 2.967 9.680 10.005 142 HE2 LYS 18 HE2 LYS 18 1.363 9.620 12.561 143 HE3 LYS 18 HE3 LYS 18 2.994 10.258 12.634 144 HZ1 LYS 18 HZ1 LYS 18 0.736 11.280 11.028 145 HZ2 LYS 18 HZ2 LYS 18 1.673 12.098 12.078 146 H ALA 19 H ALA 19 -0.415 5.950 8.866 147 HA ALA 19 HA ALA 19 -0.337 4.554 11.238 148 HB1 ALA 19 HB1 ALA 19 -2.397 5.346 10.209 149 HB2 ALA 19 HB2 ALA 19 -2.159 4.264 8.816 150 HB3 ALA 19 HB3 ALA 19 -2.498 3.582 10.424 151 H HIS 20 H HIS 20 0.776 3.655 8.028 152 HA HIS 20 HA HIS 20 0.681 0.849 8.535 153 HB2 HIS 20 HB2 HIS 20 1.814 2.596 6.360 154 HB3 HIS 20 HB3 HIS 20 2.215 0.892 6.429 155 HD1 HIS 20 HD1 HIS 20 -0.653 3.243 5.762 156 HD2 HIS 20 HD2 HIS 20 0.115 -0.880 5.760 157 HE1 HIS 20 HE1 HIS 20 -2.649 2.145 4.613 158 H GLN 21 H GLN 21 2.432 3.257 9.960 159 HA GLN 21 HA GLN 21 4.928 1.796 9.931 160 HB2 GLN 21 HB2 GLN 21 4.161 4.505 11.102 161 HB3 GLN 21 HB3 GLN 21 5.758 3.800 11.253 162 HG2 GLN 21 HG2 GLN 21 6.159 3.899 8.892 163 HG3 GLN 21 HG3 GLN 21 4.460 4.119 8.523 164 HE21 GLN 21 HE21 GLN 21 6.644 5.736 7.666 165 HE22 GLN 21 HE22 GLN 21 6.414 7.344 8.268 166 H LYS 22 H LYS 22 2.546 3.168 12.312 167 HA LYS 22 HA LYS 22 3.721 1.844 14.510 168 HB2 LYS 22 HB2 LYS 22 1.069 3.225 14.066 169 HB3 LYS 22 HB3 LYS 22 1.484 2.472 15.592 170 HG2 LYS 22 HG2 LYS 22 3.594 4.253 14.453 171 HG3 LYS 22 HG3 LYS 22 2.115 5.068 14.924 172 HD2 LYS 22 HD2 LYS 22 2.686 3.239 17.036 173 HD3 LYS 22 HD3 LYS 22 4.223 3.969 16.618 174 HE2 LYS 22 HE2 LYS 22 1.687 5.591 17.133 175 HE3 LYS 22 HE3 LYS 22 2.866 5.232 18.378 176 HZ1 LYS 22 HZ1 LYS 22 4.556 6.309 16.873 177 HZ2 LYS 22 HZ2 LYS 22 3.341 6.805 15.909 178 H ALA 23 H ALA 23 1.484 0.901 11.963 179 HA ALA 23 HA ALA 23 0.491 -1.364 13.444 180 HB1 ALA 23 HB1 ALA 23 -0.977 -1.627 11.660 181 HB2 ALA 23 HB2 ALA 23 -0.654 0.121 11.578 182 HB3 ALA 23 HB3 ALA 23 0.185 -0.992 10.471 183 H VAL 24 H VAL 24 3.120 -0.542 11.224 184 HA VAL 24 HA VAL 24 4.079 -3.280 11.501 185 HB VAL 24 HB VAL 24 3.874 -1.805 8.868 186 HG11 VAL 24 HG11 VAL 24 4.917 -3.667 7.837 187 HG12 VAL 24 HG12 VAL 24 5.918 -3.279 9.257 188 HG13 VAL 24 HG13 VAL 24 4.791 -4.656 9.312 189 HG21 VAL 24 HG21 VAL 24 1.707 -2.712 9.711 190 HG22 VAL 24 HG22 VAL 24 2.261 -3.479 8.203 191 HG23 VAL 24 HG23 VAL 24 2.444 -4.332 9.755 192 HA PRO 25 HA PRO 25 6.864 0.310 12.782 193 HB2 PRO 25 HB2 PRO 25 7.616 -2.146 14.431 194 HB3 PRO 25 HB3 PRO 25 7.647 -0.405 14.862 195 HG2 PRO 25 HG2 PRO 25 5.274 -1.827 15.661 196 HG3 PRO 25 HG3 PRO 25 5.614 -0.241 14.895 197 HD2 PRO 25 HD2 PRO 25 4.759 -2.889 13.581 198 HD3 PRO 25 HD3 PRO 25 3.951 -1.296 13.471 199 H ASP 26 H ASP 26 7.230 -3.071 11.633 200 HA ASP 26 HA ASP 26 10.013 -2.770 11.213 201 HB2 ASP 26 HB2 ASP 26 8.985 -4.985 11.580 202 HB3 ASP 26 HB3 ASP 26 7.972 -4.785 10.164 203 HD2 ASP 26 HD2 ASP 26 9.572 -6.889 10.502 204 H CYS 27 H CYS 27 10.819 -1.484 9.548 205 HA CYS 27 HA CYS 27 9.083 -0.807 7.357 206 HB2 CYS 27 HB2 CYS 27 11.950 0.043 7.543 207 HB3 CYS 27 HB3 CYS 27 10.583 0.881 6.836 208 H LYS 28 H LYS 28 11.446 -3.196 8.204 209 HA LYS 28 HA LYS 28 12.481 -3.594 5.571 210 HB2 LYS 28 HB2 LYS 28 12.616 -5.365 8.030 211 HB3 LYS 28 HB3 LYS 28 13.564 -5.556 6.569 212 HG2 LYS 28 HG2 LYS 28 14.085 -2.916 7.154 213 HG3 LYS 28 HG3 LYS 28 13.849 -3.555 8.769 214 HD2 LYS 28 HD2 LYS 28 15.548 -5.238 6.976 215 HD3 LYS 28 HD3 LYS 28 16.229 -3.678 7.396 216 HE2 LYS 28 HE2 LYS 28 16.947 -4.728 9.297 217 HE3 LYS 28 HE3 LYS 28 15.302 -4.504 9.860 218 HZ1 LYS 28 HZ1 LYS 28 16.549 -6.920 9.485 219 HZ2 LYS 28 HZ2 LYS 28 14.955 -6.712 9.742 220 H LYS 29 H LYS 29 9.450 -4.072 6.936 221 HA LYS 29 HA LYS 29 8.840 -6.647 5.963 222 HB2 LYS 29 HB2 LYS 29 7.406 -4.361 7.170 223 HB3 LYS 29 HB3 LYS 29 6.435 -5.349 6.097 224 HG2 LYS 29 HG2 LYS 29 8.174 -6.540 8.303 225 HG3 LYS 29 HG3 LYS 29 6.501 -6.085 8.561 226 HD2 LYS 29 HD2 LYS 29 6.343 -7.593 6.221 227 HD3 LYS 29 HD3 LYS 29 7.616 -8.413 7.102 228 HE2 LYS 29 HE2 LYS 29 6.115 -8.558 9.113 229 HE3 LYS 29 HE3 LYS 29 4.841 -7.764 8.209 230 HZ1 LYS 29 HZ1 LYS 29 4.583 -10.169 8.109 231 HZ2 LYS 29 HZ2 LYS 29 4.917 -9.625 6.611 232 H CYS 30 H CYS 30 8.251 -3.310 4.664 233 HA CYS 30 HA CYS 30 7.509 -4.533 2.136 234 HB2 CYS 30 HB2 CYS 30 7.449 -1.580 2.795 235 HB3 CYS 30 HB3 CYS 30 6.600 -2.421 1.513 236 H HIS 31 H HIS 31 9.721 -1.994 3.519 237 HA HIS 31 HA HIS 31 11.196 -1.775 1.116 238 HB2 HIS 31 HB2 HIS 31 11.827 -0.874 3.940 239 HB3 HIS 31 HB3 HIS 31 12.747 -0.425 2.518 240 HD1 HIS 31 HD1 HIS 31 11.018 0.704 0.526 241 HD2 HIS 31 HD2 HIS 31 9.986 1.024 4.579 242 HE1 HIS 31 HE1 HIS 31 9.363 2.639 0.691 243 H GLU 32 H GLU 32 12.232 -3.571 0.342 244 HA GLU 32 HA GLU 32 13.431 -5.376 2.208 245 HB2 GLU 32 HB2 GLU 32 12.741 -5.364 -0.680 246 HB3 GLU 32 HB3 GLU 32 14.217 -6.232 -0.304 247 HG2 GLU 32 HG2 GLU 32 12.179 -6.884 1.673 248 HG3 GLU 32 HG3 GLU 32 11.527 -7.124 0.064 249 HE2 GLU 32 HE2 GLU 32 14.189 -8.030 2.102 250 H LYS 33 H LYS 33 14.511 -3.186 -0.476 251 HA LYS 33 HA LYS 33 17.267 -3.589 0.358 252 HB2 LYS 33 HB2 LYS 33 16.045 -2.135 -2.006 253 HB3 LYS 33 HB3 LYS 33 17.765 -2.237 -1.686 254 HG2 LYS 33 HG2 LYS 33 16.883 -4.907 -1.471 255 HG3 LYS 33 HG3 LYS 33 15.956 -4.267 -2.814 256 HD2 LYS 33 HD2 LYS 33 18.173 -3.350 -3.755 257 HD3 LYS 33 HD3 LYS 33 18.992 -4.286 -2.521 258 HE2 LYS 33 HE2 LYS 33 18.953 -5.649 -4.518 259 HE3 LYS 33 HE3 LYS 33 17.810 -6.363 -3.398 260 HZ1 LYS 33 HZ1 LYS 33 16.029 -5.121 -4.585 261 HZ2 LYS 33 HZ2 LYS 33 17.115 -4.583 -5.672 262 H GLY 34 H GLY 34 15.356 -2.291 2.184 263 HA2 GLY 34 HA2 GLY 34 15.695 -0.626 3.716 264 HA3 GLY 34 HA3 GLY 34 16.906 0.106 2.681 265 HA PRO 35 HA PRO 35 12.802 2.504 2.728 266 HB2 PRO 35 HB2 PRO 35 14.015 4.897 3.405 267 HB3 PRO 35 HB3 PRO 35 13.440 3.697 4.608 268 HG2 PRO 35 HG2 PRO 35 16.087 3.929 3.414 269 HG3 PRO 35 HG3 PRO 35 16.063 3.842 5.206 270 HD2 PRO 35 HD2 PRO 35 16.509 1.571 4.105 271 HD3 PRO 35 HD3 PRO 35 14.967 1.585 5.014 272 H GLY 36 H GLY 36 12.130 3.663 0.866 273 HA2 GLY 36 HA2 GLY 36 13.158 5.398 -0.727 274 HA3 GLY 36 HA3 GLY 36 14.249 4.089 -1.135 275 H LYS 37 H LYS 37 13.161 4.606 -3.341 276 HA LYS 37 HA LYS 37 10.478 3.847 -3.728 277 HB2 LYS 37 HB2 LYS 37 12.200 5.271 -5.169 278 HB3 LYS 37 HB3 LYS 37 12.490 3.726 -5.942 279 HG2 LYS 37 HG2 LYS 37 9.611 4.381 -5.510 280 HG3 LYS 37 HG3 LYS 37 10.445 5.449 -6.621 281 HD2 LYS 37 HD2 LYS 37 11.299 2.816 -7.303 282 HD3 LYS 37 HD3 LYS 37 9.573 2.693 -7.030 283 HE2 LYS 37 HE2 LYS 37 10.433 5.074 -8.619 284 HE3 LYS 37 HE3 LYS 37 10.703 3.527 -9.396 285 HZ1 LYS 37 HZ1 LYS 37 8.519 4.013 -9.974 286 HZ2 LYS 37 HZ2 LYS 37 8.258 3.083 -8.664 287 H ILE 38 H ILE 38 9.580 1.923 -4.616 288 HA ILE 38 HA ILE 38 11.286 -0.408 -4.126 289 HB ILE 38 HB ILE 38 8.279 -0.129 -4.181 290 HG12 ILE 38 HG12 ILE 38 10.112 -0.641 -1.823 291 HG13 ILE 38 HG13 ILE 38 9.478 0.938 -2.242 292 HG21 ILE 38 HG21 ILE 38 10.059 -2.528 -3.698 293 HG22 ILE 38 HG22 ILE 38 8.340 -2.459 -3.241 294 HG23 ILE 38 HG23 ILE 38 8.813 -2.318 -4.952 295 HD11 ILE 38 HD11 ILE 38 8.031 -0.070 -0.550 296 HD12 ILE 38 HD12 ILE 38 7.139 0.003 -2.089 297 HD13 ILE 38 HD13 ILE 38 7.839 -1.538 -1.537 298 H GLU 39 H GLU 39 12.109 -1.436 -5.859 299 HA GLU 39 HA GLU 39 11.064 -0.747 -8.432 300 HB2 GLU 39 HB2 GLU 39 13.002 -1.967 -9.307 301 HB3 GLU 39 HB3 GLU 39 13.513 -0.888 -8.024 302 HG2 GLU 39 HG2 GLU 39 13.336 -2.865 -6.409 303 HG3 GLU 39 HG3 GLU 39 13.051 -3.896 -7.796 304 HE2 GLU 39 HE2 GLU 39 15.223 -4.307 -6.303 305 H GLY 40 H GLY 40 9.848 -2.064 -9.795 306 HA2 GLY 40 HA2 GLY 40 9.153 -4.192 -10.547 307 HA3 GLY 40 HA3 GLY 40 9.392 -4.844 -8.938 308 H PHE 41 H PHE 41 8.125 -2.626 -7.470 309 HA PHE 41 HA PHE 41 5.647 -3.490 -7.091 310 HB2 PHE 41 HB2 PHE 41 6.899 -1.580 -5.947 311 HB3 PHE 41 HB3 PHE 41 6.559 -0.559 -7.330 312 HD1 PHE 41 HD1 PHE 41 4.648 -2.745 -4.970 313 HD2 PHE 41 HD2 PHE 41 4.825 0.928 -7.089 314 HE1 PHE 41 HE1 PHE 41 2.488 -2.030 -3.911 315 HE2 PHE 41 HE2 PHE 41 2.664 1.643 -6.030 316 HZ PHE 41 HZ PHE 41 1.522 0.156 -4.453 317 H GLY 42 H GLY 42 3.456 -2.620 -7.685 318 HA2 GLY 42 HA2 GLY 42 2.813 -1.010 -9.773 319 HA3 GLY 42 HA3 GLY 42 3.205 -2.528 -10.554 320 H LYS 43 H LYS 43 0.929 -2.674 -11.220 321 HA LYS 43 HA LYS 43 -1.179 -2.674 -9.404 322 HB2 LYS 43 HB2 LYS 43 -1.220 -2.496 -11.953 323 HB3 LYS 43 HB3 LYS 43 -1.080 -4.242 -11.988 324 HG2 LYS 43 HG2 LYS 43 -3.111 -3.860 -10.118 325 HG3 LYS 43 HG3 LYS 43 -3.403 -2.552 -11.247 326 HD2 LYS 43 HD2 LYS 43 -2.805 -4.888 -12.811 327 HD3 LYS 43 HD3 LYS 43 -3.948 -5.380 -11.577 328 HE2 LYS 43 HE2 LYS 43 -5.614 -3.869 -12.318 329 HE3 LYS 43 HE3 LYS 43 -4.455 -2.813 -13.102 330 HZ1 LYS 43 HZ1 LYS 43 -5.674 -5.240 -14.127 331 HZ2 LYS 43 HZ2 LYS 43 -5.158 -3.927 -14.941 332 H GLU 44 H GLU 44 -0.080 -5.656 -11.134 333 HA GLU 44 HA GLU 44 -1.156 -7.484 -9.608 334 HB2 GLU 44 HB2 GLU 44 1.595 -7.406 -10.869 335 HB3 GLU 44 HB3 GLU 44 1.084 -8.831 -9.988 336 HG2 GLU 44 HG2 GLU 44 0.579 -8.499 -12.627 337 HG3 GLU 44 HG3 GLU 44 -0.471 -9.435 -11.581 338 HE2 GLU 44 HE2 GLU 44 -2.369 -8.419 -10.893 339 H MET 45 H MET 45 1.690 -5.508 -8.698 340 HA MET 45 HA MET 45 2.301 -7.003 -6.407 341 HB2 MET 45 HB2 MET 45 3.562 -5.056 -7.840 342 HB3 MET 45 HB3 MET 45 2.890 -4.040 -6.580 343 HG2 MET 45 HG2 MET 45 4.937 -4.629 -5.608 344 HG3 MET 45 HG3 MET 45 3.899 -5.872 -4.938 345 HE1 MET 45 HE1 MET 45 7.594 -6.433 -5.995 346 HE2 MET 45 HE2 MET 45 6.472 -6.167 -4.639 347 HE3 MET 45 HE3 MET 45 6.852 -7.824 -5.169 348 H ALA 46 H ALA 46 0.674 -3.773 -6.829 349 HA ALA 46 HA ALA 46 0.044 -3.336 -4.197 350 HB1 ALA 46 HB1 ALA 46 -1.684 -1.833 -5.087 351 HB2 ALA 46 HB2 ALA 46 -0.198 -1.714 -6.059 352 HB3 ALA 46 HB3 ALA 46 -1.590 -2.639 -6.671 353 H HIS 47 H HIS 47 -1.946 -5.016 -6.731 354 HA HIS 47 HA HIS 47 -3.955 -5.709 -4.874 355 HB2 HIS 47 HB2 HIS 47 -3.340 -6.884 -7.600 356 HB3 HIS 47 HB3 HIS 47 -4.829 -7.098 -6.701 357 HD1 HIS 47 HD1 HIS 47 -4.492 -5.685 -9.579 358 HD2 HIS 47 HD2 HIS 47 -5.034 -3.766 -5.889 359 HE1 HIS 47 HE1 HIS 47 -5.476 -3.390 -10.104 360 H GLY 48 H GLY 48 -0.936 -7.217 -6.032 361 HA2 GLY 48 HA2 GLY 48 -1.485 -9.800 -4.938 362 HA3 GLY 48 HA3 GLY 48 0.048 -9.189 -5.526 363 H LYS 49 H LYS 49 1.497 -9.607 -3.887 364 HA LYS 49 HA LYS 49 0.676 -9.161 -1.152 365 HB2 LYS 49 HB2 LYS 49 1.958 -11.169 -1.769 366 HB3 LYS 49 HB3 LYS 49 3.284 -10.170 -2.328 367 HG2 LYS 49 HG2 LYS 49 4.104 -10.184 -0.215 368 HG3 LYS 49 HG3 LYS 49 2.735 -9.204 0.272 369 HD2 LYS 49 HD2 LYS 49 1.396 -11.314 0.637 370 HD3 LYS 49 HD3 LYS 49 2.815 -12.258 0.229 371 HE2 LYS 49 HE2 LYS 49 3.775 -10.467 2.169 372 HE3 LYS 49 HE3 LYS 49 2.164 -10.850 2.742 373 HZ1 LYS 49 HZ1 LYS 49 2.830 -13.269 2.332 374 HZ2 LYS 49 HZ2 LYS 49 4.368 -12.749 2.205 375 H GLY 50 H GLY 50 0.557 -6.812 -2.751 376 HA2 GLY 50 HA2 GLY 50 2.934 -5.306 -1.851 377 HA3 GLY 50 HA3 GLY 50 1.896 -4.878 -3.198 378 H CYS 51 H CYS 51 -0.677 -5.064 -2.255 379 HA CYS 51 HA CYS 51 -0.650 -3.337 0.111 380 HB2 CYS 51 HB2 CYS 51 -2.395 -3.058 -2.344 381 HB3 CYS 51 HB3 CYS 51 -2.598 -2.149 -0.859 382 H LYS 52 H LYS 52 -3.402 -4.551 -1.869 383 HA LYS 52 HA LYS 52 -4.968 -5.379 0.161 384 HB2 LYS 52 HB2 LYS 52 -4.670 -6.405 -2.662 385 HB3 LYS 52 HB3 LYS 52 -5.887 -7.050 -1.579 386 HG2 LYS 52 HG2 LYS 52 -6.325 -4.388 -1.179 387 HG3 LYS 52 HG3 LYS 52 -5.691 -4.320 -2.812 388 HD2 LYS 52 HD2 LYS 52 -7.747 -6.439 -2.282 389 HD3 LYS 52 HD3 LYS 52 -8.320 -4.783 -2.248 390 HE2 LYS 52 HE2 LYS 52 -8.415 -4.852 -4.515 391 HE3 LYS 52 HE3 LYS 52 -6.663 -4.876 -4.530 392 HZ1 LYS 52 HZ1 LYS 52 -7.299 -7.467 -4.009 393 HZ2 LYS 52 HZ2 LYS 52 -8.488 -7.042 -5.037 394 H GLY 53 H GLY 53 -2.495 -7.394 -1.566 395 HA2 GLY 53 HA2 GLY 53 -2.671 -9.811 -0.585 396 HA3 GLY 53 HA3 GLY 53 -1.134 -8.970 -0.593 397 H CYS 54 H CYS 54 -0.918 -7.305 1.392 398 HA CYS 54 HA CYS 54 -0.829 -8.862 3.674 399 HB2 CYS 54 HB2 CYS 54 0.600 -6.887 3.277 400 HB3 CYS 54 HB3 CYS 54 -0.789 -5.833 3.458 401 H HIS 55 H HIS 55 -3.121 -6.239 2.638 402 HA HIS 55 HA HIS 55 -4.702 -6.097 4.818 403 HB2 HIS 55 HB2 HIS 55 -5.426 -5.966 1.883 404 HB3 HIS 55 HB3 HIS 55 -6.564 -5.579 3.159 405 HD1 HIS 55 HD1 HIS 55 -6.211 -3.243 1.516 406 HD2 HIS 55 HD2 HIS 55 -3.352 -4.178 4.440 407 HE1 HIS 55 HE1 HIS 55 -4.947 -1.079 1.998 408 H GLU 56 H GLU 56 -5.618 -8.146 1.956 409 HA GLU 56 HA GLU 56 -7.531 -9.560 3.290 410 HB2 GLU 56 HB2 GLU 56 -6.832 -11.381 1.447 411 HB3 GLU 56 HB3 GLU 56 -7.666 -9.902 1.015 412 HG2 GLU 56 HG2 GLU 56 -5.813 -8.985 -0.010 413 HG3 GLU 56 HG3 GLU 56 -4.697 -9.655 1.163 414 HE2 GLU 56 HE2 GLU 56 -6.118 -10.578 -2.027 415 H GLU 57 H GLU 57 -4.061 -9.733 3.567 416 HA GLU 57 HA GLU 57 -3.770 -12.392 4.251 417 HB2 GLU 57 HB2 GLU 57 -2.071 -10.298 3.899 418 HB3 GLU 57 HB3 GLU 57 -2.065 -10.365 5.650 419 HG2 GLU 57 HG2 GLU 57 -0.267 -11.786 4.670 420 HG3 GLU 57 HG3 GLU 57 -1.399 -12.736 5.611 421 HE2 GLU 57 HE2 GLU 57 -0.647 -13.266 1.860 422 H MET 58 H MET 58 -4.299 -9.466 6.338 423 HA MET 58 HA MET 58 -4.846 -11.288 8.534 424 HB2 MET 58 HB2 MET 58 -4.437 -8.245 8.464 425 HB3 MET 58 HB3 MET 58 -4.638 -9.188 9.927 426 HG2 MET 58 HG2 MET 58 -2.525 -10.350 8.272 427 HG3 MET 58 HG3 MET 58 -2.205 -8.649 8.547 428 HE1 MET 58 HE1 MET 58 -2.465 -7.509 10.609 429 HE2 MET 58 HE2 MET 58 -2.141 -8.156 12.236 430 HE3 MET 58 HE3 MET 58 -0.817 -8.015 11.054 431 H LYS 59 H LYS 59 -6.551 -10.034 6.048 432 HA LYS 59 HA LYS 59 -8.703 -9.692 5.684 433 HB2 LYS 59 HB2 LYS 59 -8.788 -10.954 8.385 434 HB3 LYS 59 HB3 LYS 59 -10.242 -10.146 7.834 435 HG2 LYS 59 HG2 LYS 59 -10.581 -12.274 6.937 436 HG3 LYS 59 HG3 LYS 59 -9.806 -11.480 5.580 437 HD2 LYS 59 HD2 LYS 59 -8.122 -12.993 5.638 438 HD3 LYS 59 HD3 LYS 59 -7.707 -12.486 7.263 439 HE2 LYS 59 HE2 LYS 59 -9.037 -14.164 8.278 440 HE3 LYS 59 HE3 LYS 59 -10.055 -14.357 6.865 441 HZ1 LYS 59 HZ1 LYS 59 -7.527 -15.000 5.991 442 HZ2 LYS 59 HZ2 LYS 59 -7.601 -15.683 7.468 443 H LYS 60 H LYS 60 -6.706 -7.792 7.356 444 HA LYS 60 HA LYS 60 -8.774 -5.850 8.089 445 HB2 LYS 60 HB2 LYS 60 -5.846 -5.905 8.874 446 HB3 LYS 60 HB3 LYS 60 -7.061 -4.782 9.451 447 HG2 LYS 60 HG2 LYS 60 -7.585 -7.742 9.761 448 HG3 LYS 60 HG3 LYS 60 -6.432 -6.984 10.843 449 HD2 LYS 60 HD2 LYS 60 -8.050 -5.631 11.861 450 HD3 LYS 60 HD3 LYS 60 -9.074 -5.593 10.439 451 HE2 LYS 60 HE2 LYS 60 -8.665 -8.254 11.802 452 HE3 LYS 60 HE3 LYS 60 -9.701 -7.083 12.593 453 HZ1 LYS 60 HZ1 LYS 60 -10.508 -7.036 9.970 454 HZ2 LYS 60 HZ2 LYS 60 -10.237 -8.618 10.243 455 H GLY 61 H GLY 61 -8.661 -3.689 7.283 456 HA2 GLY 61 HA2 GLY 61 -7.784 -2.008 5.951 457 HA3 GLY 61 HA3 GLY 61 -6.678 -3.145 5.207 458 HA PRO 62 HA PRO 62 -10.611 -2.310 2.622 459 HB2 PRO 62 HB2 PRO 62 -9.415 -0.725 0.700 460 HB3 PRO 62 HB3 PRO 62 -10.139 -0.078 2.208 461 HG2 PRO 62 HG2 PRO 62 -7.410 -0.770 1.579 462 HG3 PRO 62 HG3 PRO 62 -7.845 0.785 2.359 463 HD2 PRO 62 HD2 PRO 62 -6.888 -1.200 3.874 464 HD3 PRO 62 HD3 PRO 62 -8.358 -0.348 4.435 465 H THR 63 H THR 63 -10.946 -4.129 1.349 466 HA THR 63 HA THR 63 -8.662 -4.983 -0.305 467 HB THR 63 HB THR 63 -9.375 -7.310 0.172 468 HG1 THR 63 HG1 THR 63 -11.585 -7.169 0.569 469 HG21 THR 63 HG21 THR 63 -8.824 -5.426 2.455 470 HG22 THR 63 HG22 THR 63 -9.457 -7.035 2.880 471 HG23 THR 63 HG23 THR 63 -7.939 -6.890 1.961 472 H LYS 64 H LYS 64 -11.791 -3.698 -0.229 473 HA LYS 64 HA LYS 64 -12.522 -5.002 -2.738 474 HB2 LYS 64 HB2 LYS 64 -14.182 -3.126 -1.035 475 HB3 LYS 64 HB3 LYS 64 -14.735 -4.132 -2.358 476 HG2 LYS 64 HG2 LYS 64 -13.382 -5.889 -0.559 477 HG3 LYS 64 HG3 LYS 64 -14.361 -4.839 0.445 478 HD2 LYS 64 HD2 LYS 64 -16.004 -5.539 -1.784 479 HD3 LYS 64 HD3 LYS 64 -15.210 -7.021 -1.290 480 HE2 LYS 64 HE2 LYS 64 -15.907 -6.051 1.169 481 HE3 LYS 64 HE3 LYS 64 -17.183 -5.331 0.208 482 HZ1 LYS 64 HZ1 LYS 64 -17.452 -7.698 -0.740 483 HZ2 LYS 64 HZ2 LYS 64 -16.587 -8.203 0.544 484 H CYS 65 H CYS 65 -13.259 -3.638 -4.564 485 HA CYS 65 HA CYS 65 -11.363 -1.616 -5.057 486 HB2 CYS 65 HB2 CYS 65 -13.797 -1.814 -6.752 487 HB3 CYS 65 HB3 CYS 65 -12.116 -1.625 -7.207 488 H GLY 66 H GLY 66 -11.935 0.690 -5.611 489 HA2 GLY 66 HA2 GLY 66 -13.227 2.583 -5.423 490 HA3 GLY 66 HA3 GLY 66 -14.454 1.687 -4.550 491 H GLU 67 H GLU 67 -12.574 0.439 -2.614 492 HA GLU 67 HA GLU 67 -12.566 2.569 -0.768 493 HB2 GLU 67 HB2 GLU 67 -12.652 -0.190 -0.599 494 HB3 GLU 67 HB3 GLU 67 -11.010 0.135 -0.078 495 HG2 GLU 67 HG2 GLU 67 -11.899 1.817 1.579 496 HG3 GLU 67 HG3 GLU 67 -13.531 1.411 1.087 497 HE2 GLU 67 HE2 GLU 67 -12.987 1.022 3.558 498 H CYS 68 H CYS 68 -10.335 1.410 -3.156 499 HA CYS 68 HA CYS 68 -8.156 2.821 -1.798 500 HB2 CYS 68 HB2 CYS 68 -8.242 0.272 -3.205 501 HB3 CYS 68 HB3 CYS 68 -7.052 1.345 -3.914 502 H HIS 69 H HIS 69 -9.755 2.110 -4.980 503 HA HIS 69 HA HIS 69 -8.449 4.404 -6.148 504 HB2 HIS 69 HB2 HIS 69 -10.407 2.408 -7.320 505 HB3 HIS 69 HB3 HIS 69 -9.576 3.662 -8.219 506 HD1 HIS 69 HD1 HIS 69 -6.807 3.457 -8.120 507 HD2 HIS 69 HD2 HIS 69 -9.049 0.031 -7.209 508 HE1 HIS 69 HE1 HIS 69 -5.217 1.476 -8.364 509 H LYS 70 H LYS 70 -9.259 6.357 -5.514 510 HA LYS 70 HA LYS 70 -12.186 6.581 -5.430 511 HB2 LYS 70 HB2 LYS 70 -9.999 7.939 -3.860 512 HB3 LYS 70 HB3 LYS 70 -11.578 8.679 -4.026 513 HG2 LYS 70 HG2 LYS 70 -12.228 6.044 -3.376 514 HG3 LYS 70 HG3 LYS 70 -10.767 6.307 -2.444 515 HD2 LYS 70 HD2 LYS 70 -12.167 8.681 -2.018 516 HD3 LYS 70 HD3 LYS 70 -13.460 7.501 -2.102 517 HE2 LYS 70 HE2 LYS 70 -12.206 6.085 -0.405 518 HE3 LYS 70 HE3 LYS 70 -11.025 7.372 -0.261 519 HZ1 LYS 70 HZ1 LYS 70 -13.903 7.913 0.166 520 HZ2 LYS 70 HZ2 LYS 70 -12.963 7.379 1.384 521 H LYS 71 H LYS 71 -13.069 7.563 -7.160 522 HA LYS 71 HA LYS 71 -11.498 8.803 -9.116 523 HB2 LYS 71 HB2 LYS 71 -13.650 7.692 -9.553 524 HB3 LYS 71 HB3 LYS 71 -14.492 8.927 -8.640 525 HG2 LYS 71 HG2 LYS 71 -13.163 10.564 -10.326 526 HG3 LYS 71 HG3 LYS 71 -13.160 9.132 -11.335 527 HD2 LYS 71 HD2 LYS 71 -15.771 9.097 -10.559 528 HD3 LYS 71 HD3 LYS 71 -15.473 10.819 -10.436 529 HE2 LYS 71 HE2 LYS 71 -14.285 9.919 -12.901 530 HE3 LYS 71 HE3 LYS 71 -15.896 9.236 -12.820 531 HZ1 LYS 71 HZ1 LYS 71 -16.768 11.263 -13.185 532 HZ2 LYS 71 HZ2 LYS 71 -15.915 11.962 -11.987 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 7.896 13.459 4.040 2 HA ALA 1 HA ALA 1 5.912 13.184 5.230 3 HB1 ALA 1 HB1 ALA 1 5.478 14.630 3.396 4 HB2 ALA 1 HB2 ALA 1 5.481 13.286 2.229 5 HB3 ALA 1 HB3 ALA 1 4.137 13.460 3.384 6 H ASP 2 H ASP 2 3.551 12.043 4.918 7 HA ASP 2 HA ASP 2 4.212 9.211 4.770 8 HB2 ASP 2 HB2 ASP 2 1.632 9.882 6.011 9 HB3 ASP 2 HB3 ASP 2 2.938 8.897 6.638 10 HD2 ASP 2 HD2 ASP 2 4.142 10.516 8.666 11 H ASP 3 H ASP 3 1.866 11.817 3.926 12 HA ASP 3 HA ASP 3 0.008 10.159 2.688 13 HB2 ASP 3 HB2 ASP 3 0.401 12.936 1.634 14 HB3 ASP 3 HB3 ASP 3 -1.079 12.137 2.127 15 HD2 ASP 3 HD2 ASP 3 1.697 13.866 3.731 16 H ILE 4 H ILE 4 0.282 9.031 0.757 17 HA ILE 4 HA ILE 4 1.980 10.262 -1.284 18 HB ILE 4 HB ILE 4 2.114 7.399 -0.336 19 HG12 ILE 4 HG12 ILE 4 4.001 9.747 -0.135 20 HG13 ILE 4 HG13 ILE 4 3.368 8.743 1.154 21 HG21 ILE 4 HG21 ILE 4 3.409 6.827 -2.143 22 HG22 ILE 4 HG22 ILE 4 2.256 7.952 -2.901 23 HG23 ILE 4 HG23 ILE 4 3.893 8.507 -2.475 24 HD11 ILE 4 HD11 ILE 4 4.660 6.814 0.383 25 HD12 ILE 4 HD12 ILE 4 5.188 7.704 -1.066 26 HD13 ILE 4 HD13 ILE 4 5.755 8.208 0.545 27 H VAL 5 H VAL 5 1.010 10.352 -3.251 28 HA VAL 5 HA VAL 5 -1.518 8.896 -3.492 29 HB VAL 5 HB VAL 5 -0.407 11.304 -4.946 30 HG11 VAL 5 HG11 VAL 5 -2.372 11.428 -6.221 31 HG12 VAL 5 HG12 VAL 5 -1.942 9.701 -6.265 32 HG13 VAL 5 HG13 VAL 5 -3.234 10.270 -5.180 33 HG21 VAL 5 HG21 VAL 5 -2.111 12.572 -3.768 34 HG22 VAL 5 HG22 VAL 5 -2.716 11.092 -2.985 35 HG23 VAL 5 HG23 VAL 5 -1.092 11.706 -2.593 36 H LEU 6 H LEU 6 -1.579 7.096 -4.726 37 HA LEU 6 HA LEU 6 0.671 6.657 -6.534 38 HB2 LEU 6 HB2 LEU 6 -1.391 4.771 -5.388 39 HB3 LEU 6 HB3 LEU 6 -0.138 4.309 -6.523 40 HG LEU 6 HG LEU 6 0.495 5.554 -3.842 41 HD11 LEU 6 HD11 LEU 6 0.050 3.677 -2.746 42 HD12 LEU 6 HD12 LEU 6 -0.748 3.065 -4.215 43 HD13 LEU 6 HD13 LEU 6 0.970 2.707 -3.921 44 HD21 LEU 6 HD21 LEU 6 2.614 4.052 -4.365 45 HD22 LEU 6 HD22 LEU 6 2.067 4.288 -6.042 46 HD23 LEU 6 HD23 LEU 6 2.443 5.698 -5.022 47 H LYS 7 H LYS 7 0.210 7.785 -8.406 48 HA LYS 7 HA LYS 7 -2.268 8.217 -9.482 49 HB2 LYS 7 HB2 LYS 7 0.436 7.918 -10.814 50 HB3 LYS 7 HB3 LYS 7 -0.999 8.466 -11.658 51 HG2 LYS 7 HG2 LYS 7 -0.851 10.549 -10.752 52 HG3 LYS 7 HG3 LYS 7 -0.682 9.911 -9.129 53 HD2 LYS 7 HD2 LYS 7 1.632 9.898 -11.113 54 HD3 LYS 7 HD3 LYS 7 1.310 11.274 -10.076 55 HE2 LYS 7 HE2 LYS 7 1.290 9.450 -8.136 56 HE3 LYS 7 HE3 LYS 7 2.176 8.478 -9.294 57 HZ1 LYS 7 HZ1 LYS 7 4.000 9.773 -9.043 58 HZ2 LYS 7 HZ2 LYS 7 3.175 11.177 -9.067 59 H ALA 8 H ALA 8 -3.737 7.078 -10.700 60 HA ALA 8 HA ALA 8 -2.929 4.518 -11.795 61 HB1 ALA 8 HB1 ALA 8 -5.199 4.772 -9.780 62 HB2 ALA 8 HB2 ALA 8 -4.694 3.292 -10.632 63 HB3 ALA 8 HB3 ALA 8 -3.609 4.047 -9.440 64 H LYS 9 H LYS 9 -4.153 3.956 -13.612 65 HA LYS 9 HA LYS 9 -5.740 6.097 -14.674 66 HB2 LYS 9 HB2 LYS 9 -5.731 4.806 -16.714 67 HB3 LYS 9 HB3 LYS 9 -4.111 4.857 -16.048 68 HG2 LYS 9 HG2 LYS 9 -4.147 2.587 -16.318 69 HG3 LYS 9 HG3 LYS 9 -5.078 2.581 -14.833 70 HD2 LYS 9 HD2 LYS 9 -6.343 1.279 -16.411 71 HD3 LYS 9 HD3 LYS 9 -7.191 2.805 -16.258 72 HE2 LYS 9 HE2 LYS 9 -7.067 2.970 -18.523 73 HE3 LYS 9 HE3 LYS 9 -5.362 3.319 -18.317 74 HZ1 LYS 9 HZ1 LYS 9 -4.886 1.354 -19.263 75 HZ2 LYS 9 HZ2 LYS 9 -5.759 0.524 -18.167 76 H ASN 10 H ASN 10 -6.412 3.918 -12.339 77 HA ASN 10 HA ASN 10 -9.150 3.649 -13.300 78 HB2 ASN 10 HB2 ASN 10 -7.445 1.515 -12.848 79 HB3 ASN 10 HB3 ASN 10 -8.184 1.673 -11.267 80 HD21 ASN 10 HD21 ASN 10 -9.790 0.338 -11.017 81 HD22 ASN 10 HD22 ASN 10 -11.001 -0.089 -12.179 82 H GLY 11 H GLY 11 -7.679 5.723 -11.624 83 HA2 GLY 11 HA2 GLY 11 -8.774 6.997 -9.954 84 HA3 GLY 11 HA3 GLY 11 -9.368 5.522 -9.217 85 H ASP 12 H ASP 12 -7.095 7.973 -8.915 86 HA ASP 12 HA ASP 12 -4.767 6.760 -8.258 87 HB2 ASP 12 HB2 ASP 12 -4.286 8.743 -6.913 88 HB3 ASP 12 HB3 ASP 12 -5.180 9.230 -8.340 89 HD2 ASP 12 HD2 ASP 12 -6.660 11.055 -5.686 90 H VAL 13 H VAL 13 -3.838 6.246 -6.048 91 HA VAL 13 HA VAL 13 -5.940 5.365 -4.190 92 HB VAL 13 HB VAL 13 -3.283 4.061 -4.816 93 HG11 VAL 13 HG11 VAL 13 -3.748 3.638 -2.529 94 HG12 VAL 13 HG12 VAL 13 -5.480 3.375 -2.847 95 HG13 VAL 13 HG13 VAL 13 -4.281 2.184 -3.408 96 HG21 VAL 13 HG21 VAL 13 -4.302 2.851 -6.391 97 HG22 VAL 13 HG22 VAL 13 -5.625 2.421 -5.281 98 HG23 VAL 13 HG23 VAL 13 -5.712 3.925 -6.229 99 H LYS 14 H LYS 14 -5.895 6.389 -2.260 100 HA LYS 14 HA LYS 14 -3.577 8.012 -1.656 101 HB2 LYS 14 HB2 LYS 14 -5.997 8.795 -1.498 102 HB3 LYS 14 HB3 LYS 14 -6.151 7.773 -0.083 103 HG2 LYS 14 HG2 LYS 14 -3.946 9.863 -0.354 104 HG3 LYS 14 HG3 LYS 14 -5.511 10.237 0.340 105 HD2 LYS 14 HD2 LYS 14 -4.587 7.813 1.586 106 HD3 LYS 14 HD3 LYS 14 -3.247 8.941 1.596 107 HE2 LYS 14 HE2 LYS 14 -4.285 10.376 3.068 108 HE3 LYS 14 HE3 LYS 14 -5.860 10.163 2.330 109 HZ1 LYS 14 HZ1 LYS 14 -5.915 9.146 4.481 110 HZ2 LYS 14 HZ2 LYS 14 -5.906 7.913 3.418 111 H PHE 15 H PHE 15 -1.865 6.979 -0.763 112 HA PHE 15 HA PHE 15 -2.478 4.911 1.224 113 HB2 PHE 15 HB2 PHE 15 -1.144 4.219 -0.778 114 HB3 PHE 15 HB3 PHE 15 -0.047 5.565 -0.544 115 HD1 PHE 15 HD1 PHE 15 -1.368 2.744 1.532 116 HD2 PHE 15 HD2 PHE 15 2.010 4.999 0.301 117 HE1 PHE 15 HE1 PHE 15 0.115 1.291 2.942 118 HE2 PHE 15 HE2 PHE 15 3.493 3.546 1.711 119 HZ PHE 15 HZ PHE 15 2.528 1.709 3.015 120 HA PRO 16 HA PRO 16 -0.821 7.883 4.099 121 HB2 PRO 16 HB2 PRO 16 -1.727 6.644 6.349 122 HB3 PRO 16 HB3 PRO 16 -2.843 7.458 5.205 123 HG2 PRO 16 HG2 PRO 16 -2.168 4.768 5.520 124 HG3 PRO 16 HG3 PRO 16 -3.861 5.243 5.164 125 HD2 PRO 16 HD2 PRO 16 -2.167 4.166 3.267 126 HD3 PRO 16 HD3 PRO 16 -3.409 5.385 2.850 127 H HIS 17 H HIS 17 1.469 7.497 3.739 128 HA HIS 17 HA HIS 17 2.586 5.045 4.689 129 HB2 HIS 17 HB2 HIS 17 3.448 6.229 2.705 130 HB3 HIS 17 HB3 HIS 17 3.907 7.591 3.707 131 HD1 HIS 17 HD1 HIS 17 5.792 7.024 5.621 132 HD2 HIS 17 HD2 HIS 17 5.360 4.261 2.495 133 HE1 HIS 17 HE1 HIS 17 7.910 5.601 5.627 134 H LYS 18 H LYS 18 1.214 5.913 6.827 135 HA LYS 18 HA LYS 18 3.359 6.709 8.625 136 HB2 LYS 18 HB2 LYS 18 2.556 8.827 8.568 137 HB3 LYS 18 HB3 LYS 18 0.978 8.344 7.978 138 HG2 LYS 18 HG2 LYS 18 0.223 7.713 10.172 139 HG3 LYS 18 HG3 LYS 18 1.850 7.701 10.821 140 HD2 LYS 18 HD2 LYS 18 2.018 10.110 10.729 141 HD3 LYS 18 HD3 LYS 18 0.594 10.246 9.717 142 HE2 LYS 18 HE2 LYS 18 -0.767 9.252 11.642 143 HE3 LYS 18 HE3 LYS 18 0.670 9.360 12.639 144 HZ1 LYS 18 HZ1 LYS 18 -1.076 11.353 12.431 145 HZ2 LYS 18 HZ2 LYS 18 0.499 11.623 12.745 146 H ALA 19 H ALA 19 -0.233 6.144 8.697 147 HA ALA 19 HA ALA 19 -0.244 4.817 11.110 148 HB1 ALA 19 HB1 ALA 19 -2.043 5.382 8.920 149 HB2 ALA 19 HB2 ALA 19 -2.280 3.705 9.466 150 HB3 ALA 19 HB3 ALA 19 -2.425 5.047 10.625 151 H HIS 20 H HIS 20 0.910 3.790 7.966 152 HA HIS 20 HA HIS 20 0.681 0.999 8.571 153 HB2 HIS 20 HB2 HIS 20 1.801 2.626 6.305 154 HB3 HIS 20 HB3 HIS 20 2.214 0.929 6.445 155 HD1 HIS 20 HD1 HIS 20 -0.720 3.226 5.802 156 HD2 HIS 20 HD2 HIS 20 0.155 -0.876 5.805 157 HE1 HIS 20 HE1 HIS 20 -2.716 2.069 4.712 158 H GLN 21 H GLN 21 2.482 3.347 9.957 159 HA GLN 21 HA GLN 21 4.955 1.844 9.912 160 HB2 GLN 21 HB2 GLN 21 4.242 4.594 11.015 161 HB3 GLN 21 HB3 GLN 21 5.817 3.856 11.230 162 HG2 GLN 21 HG2 GLN 21 6.299 3.900 8.892 163 HG3 GLN 21 HG3 GLN 21 4.614 4.095 8.452 164 HE21 GLN 21 HE21 GLN 21 6.342 5.746 7.320 165 HE22 GLN 21 HE22 GLN 21 6.248 7.355 7.954 166 H LYS 22 H LYS 22 2.616 3.295 12.288 167 HA LYS 22 HA LYS 22 3.782 1.997 14.503 168 HB2 LYS 22 HB2 LYS 22 1.140 3.388 14.034 169 HB3 LYS 22 HB3 LYS 22 1.541 2.651 15.572 170 HG2 LYS 22 HG2 LYS 22 3.669 4.402 14.419 171 HG3 LYS 22 HG3 LYS 22 2.196 5.232 14.880 172 HD2 LYS 22 HD2 LYS 22 2.741 3.427 17.013 173 HD3 LYS 22 HD3 LYS 22 4.293 4.121 16.587 174 HE2 LYS 22 HE2 LYS 22 3.715 6.212 17.341 175 HE3 LYS 22 HE3 LYS 22 2.096 6.117 16.676 176 HZ1 LYS 22 HZ1 LYS 22 2.311 6.079 19.205 177 HZ2 LYS 22 HZ2 LYS 22 1.346 4.935 18.563 178 H ALA 23 H ALA 23 1.542 1.015 11.974 179 HA ALA 23 HA ALA 23 0.531 -1.212 13.495 180 HB1 ALA 23 HB1 ALA 23 0.103 0.024 10.802 181 HB2 ALA 23 HB2 ALA 23 -0.285 -1.704 10.983 182 HB3 ALA 23 HB3 ALA 23 -1.084 -0.499 12.021 183 H VAL 24 H VAL 24 3.146 -0.465 11.214 184 HA VAL 24 HA VAL 24 4.089 -3.206 11.570 185 HB VAL 24 HB VAL 24 3.929 -1.751 8.922 186 HG11 VAL 24 HG11 VAL 24 5.071 -3.516 7.923 187 HG12 VAL 24 HG12 VAL 24 5.947 -3.311 9.458 188 HG13 VAL 24 HG13 VAL 24 4.760 -4.625 9.280 189 HG21 VAL 24 HG21 VAL 24 2.351 -4.064 10.075 190 HG22 VAL 24 HG22 VAL 24 1.745 -2.529 9.408 191 HG23 VAL 24 HG23 VAL 24 2.457 -3.749 8.326 192 HA PRO 25 HA PRO 25 6.883 0.387 12.857 193 HB2 PRO 25 HB2 PRO 25 7.586 -2.065 14.535 194 HB3 PRO 25 HB3 PRO 25 7.637 -0.321 14.952 195 HG2 PRO 25 HG2 PRO 25 5.234 -1.710 15.727 196 HG3 PRO 25 HG3 PRO 25 5.602 -0.128 14.967 197 HD2 PRO 25 HD2 PRO 25 4.699 -2.758 13.654 198 HD3 PRO 25 HD3 PRO 25 3.949 -1.139 13.513 199 H ASP 26 H ASP 26 7.244 -3.014 11.756 200 HA ASP 26 HA ASP 26 10.033 -2.695 11.338 201 HB2 ASP 26 HB2 ASP 26 8.967 -4.904 11.808 202 HB3 ASP 26 HB3 ASP 26 8.057 -4.789 10.315 203 HD2 ASP 26 HD2 ASP 26 11.212 -5.268 11.587 204 H CYS 27 H CYS 27 10.778 -1.416 9.637 205 HA CYS 27 HA CYS 27 9.035 -0.847 7.438 206 HB2 CYS 27 HB2 CYS 27 11.918 -0.037 7.524 207 HB3 CYS 27 HB3 CYS 27 10.547 0.797 6.823 208 H LYS 28 H LYS 28 11.278 -3.297 8.330 209 HA LYS 28 HA LYS 28 12.303 -3.796 5.702 210 HB2 LYS 28 HB2 LYS 28 12.465 -5.258 8.344 211 HB3 LYS 28 HB3 LYS 28 13.135 -5.919 6.866 212 HG2 LYS 28 HG2 LYS 28 13.926 -3.122 7.154 213 HG3 LYS 28 HG3 LYS 28 14.338 -4.011 8.607 214 HD2 LYS 28 HD2 LYS 28 15.780 -5.490 7.466 215 HD3 LYS 28 HD3 LYS 28 14.985 -5.246 5.923 216 HE2 LYS 28 HE2 LYS 28 15.917 -2.965 5.750 217 HE3 LYS 28 HE3 LYS 28 16.612 -3.091 7.354 218 HZ1 LYS 28 HZ1 LYS 28 17.358 -4.812 5.049 219 HZ2 LYS 28 HZ2 LYS 28 18.262 -3.595 5.643 220 H LYS 29 H LYS 29 9.264 -4.100 7.065 221 HA LYS 29 HA LYS 29 8.559 -6.693 6.198 222 HB2 LYS 29 HB2 LYS 29 7.214 -4.317 7.330 223 HB3 LYS 29 HB3 LYS 29 6.204 -5.303 6.293 224 HG2 LYS 29 HG2 LYS 29 7.920 -6.548 8.478 225 HG3 LYS 29 HG3 LYS 29 6.319 -5.924 8.821 226 HD2 LYS 29 HD2 LYS 29 6.134 -7.549 6.443 227 HD3 LYS 29 HD3 LYS 29 7.035 -8.458 7.640 228 HE2 LYS 29 HE2 LYS 29 5.171 -7.845 9.322 229 HE3 LYS 29 HE3 LYS 29 4.252 -7.250 7.954 230 HZ1 LYS 29 HZ1 LYS 29 3.831 -9.356 7.266 231 HZ2 LYS 29 HZ2 LYS 29 5.337 -9.901 7.561 232 H CYS 30 H CYS 30 8.210 -3.386 4.765 233 HA CYS 30 HA CYS 30 7.381 -4.672 2.285 234 HB2 CYS 30 HB2 CYS 30 7.399 -1.699 2.859 235 HB3 CYS 30 HB3 CYS 30 6.548 -2.547 1.583 236 H HIS 31 H HIS 31 9.658 -2.148 3.591 237 HA HIS 31 HA HIS 31 11.150 -2.052 1.192 238 HB2 HIS 31 HB2 HIS 31 11.797 -1.082 3.990 239 HB3 HIS 31 HB3 HIS 31 12.733 -0.704 2.557 240 HD1 HIS 31 HD1 HIS 31 11.051 0.419 0.526 241 HD2 HIS 31 HD2 HIS 31 10.002 0.881 4.561 242 HE1 HIS 31 HE1 HIS 31 9.451 2.404 0.626 243 H GLU 32 H GLU 32 12.158 -3.882 0.473 244 HA GLU 32 HA GLU 32 13.289 -5.668 2.403 245 HB2 GLU 32 HB2 GLU 32 12.336 -5.839 -0.306 246 HB3 GLU 32 HB3 GLU 32 14.007 -6.366 -0.303 247 HG2 GLU 32 HG2 GLU 32 12.772 -8.344 0.175 248 HG3 GLU 32 HG3 GLU 32 13.393 -7.841 1.734 249 HE2 GLU 32 HE2 GLU 32 9.630 -6.680 1.074 250 H LYS 33 H LYS 33 14.432 -3.569 -0.324 251 HA LYS 33 HA LYS 33 17.176 -4.039 0.513 252 HB2 LYS 33 HB2 LYS 33 15.962 -2.637 -1.883 253 HB3 LYS 33 HB3 LYS 33 17.682 -2.684 -1.555 254 HG2 LYS 33 HG2 LYS 33 17.083 -5.348 -1.290 255 HG3 LYS 33 HG3 LYS 33 15.857 -4.880 -2.451 256 HD2 LYS 33 HD2 LYS 33 17.410 -4.360 -4.109 257 HD3 LYS 33 HD3 LYS 33 18.642 -3.875 -2.961 258 HE2 LYS 33 HE2 LYS 33 18.955 -6.295 -2.316 259 HE3 LYS 33 HE3 LYS 33 17.772 -6.751 -3.526 260 HZ1 LYS 33 HZ1 LYS 33 20.497 -5.792 -3.923 261 HZ2 LYS 33 HZ2 LYS 33 19.660 -6.890 -4.786 262 H GLY 34 H GLY 34 15.304 -2.655 2.318 263 HA2 GLY 34 HA2 GLY 34 15.722 -0.979 3.827 264 HA3 GLY 34 HA3 GLY 34 16.918 -0.281 2.753 265 HA PRO 35 HA PRO 35 12.759 2.088 2.889 266 HB2 PRO 35 HB2 PRO 35 14.008 4.478 3.592 267 HB3 PRO 35 HB3 PRO 35 13.350 3.292 4.766 268 HG2 PRO 35 HG2 PRO 35 16.031 3.489 3.665 269 HG3 PRO 35 HG3 PRO 35 15.992 3.352 5.454 270 HD2 PRO 35 HD2 PRO 35 16.414 1.103 4.330 271 HD3 PRO 35 HD3 PRO 35 14.833 1.122 5.170 272 H GLY 36 H GLY 36 12.083 3.295 1.055 273 HA2 GLY 36 HA2 GLY 36 13.118 5.054 -0.510 274 HA3 GLY 36 HA3 GLY 36 14.196 3.742 -0.947 275 H LYS 37 H LYS 37 13.139 4.249 -3.146 276 HA LYS 37 HA LYS 37 10.435 3.545 -3.534 277 HB2 LYS 37 HB2 LYS 37 12.789 4.175 -5.270 278 HB3 LYS 37 HB3 LYS 37 11.417 3.370 -6.004 279 HG2 LYS 37 HG2 LYS 37 10.457 5.422 -6.182 280 HG3 LYS 37 HG3 LYS 37 10.200 5.353 -4.451 281 HD2 LYS 37 HD2 LYS 37 11.585 7.129 -4.206 282 HD3 LYS 37 HD3 LYS 37 12.915 6.137 -4.769 283 HE2 LYS 37 HE2 LYS 37 13.059 7.580 -6.526 284 HE3 LYS 37 HE3 LYS 37 11.630 6.785 -7.155 285 HZ1 LYS 37 HZ1 LYS 37 10.434 8.485 -5.561 286 HZ2 LYS 37 HZ2 LYS 37 11.806 9.345 -5.736 287 H ILE 38 H ILE 38 9.559 1.655 -4.600 288 HA ILE 38 HA ILE 38 11.229 -0.705 -4.095 289 HB ILE 38 HB ILE 38 8.222 -0.426 -4.153 290 HG12 ILE 38 HG12 ILE 38 10.018 -0.946 -1.771 291 HG13 ILE 38 HG13 ILE 38 9.436 0.648 -2.208 292 HG21 ILE 38 HG21 ILE 38 8.943 -2.619 -4.943 293 HG22 ILE 38 HG22 ILE 38 9.959 -2.821 -3.496 294 HG23 ILE 38 HG23 ILE 38 8.189 -2.734 -3.335 295 HD11 ILE 38 HD11 ILE 38 8.087 -1.210 -0.610 296 HD12 ILE 38 HD12 ILE 38 7.368 0.236 -1.359 297 HD13 ILE 38 HD13 ILE 38 7.262 -1.339 -2.182 298 H GLU 39 H GLU 39 12.035 -1.707 -5.852 299 HA GLU 39 HA GLU 39 10.985 -0.956 -8.407 300 HB2 GLU 39 HB2 GLU 39 12.899 -2.310 -9.285 301 HB3 GLU 39 HB3 GLU 39 13.405 -1.077 -8.147 302 HG2 GLU 39 HG2 GLU 39 14.307 -2.641 -6.776 303 HG3 GLU 39 HG3 GLU 39 12.773 -3.480 -6.660 304 HE2 GLU 39 HE2 GLU 39 15.086 -4.179 -9.801 305 H GLY 40 H GLY 40 9.750 -2.233 -9.787 306 HA2 GLY 40 HA2 GLY 40 9.033 -4.336 -10.583 307 HA3 GLY 40 HA3 GLY 40 9.286 -5.030 -8.994 308 H PHE 41 H PHE 41 8.046 -2.856 -7.449 309 HA PHE 41 HA PHE 41 5.567 -3.716 -7.071 310 HB2 PHE 41 HB2 PHE 41 6.822 -1.857 -5.868 311 HB3 PHE 41 HB3 PHE 41 6.519 -0.792 -7.226 312 HD1 PHE 41 HD1 PHE 41 4.760 -2.794 -4.632 313 HD2 PHE 41 HD2 PHE 41 4.590 0.519 -7.278 314 HE1 PHE 41 HE1 PHE 41 2.603 -2.062 -3.576 315 HE2 PHE 41 HE2 PHE 41 2.433 1.251 -6.222 316 HZ PHE 41 HZ PHE 41 1.466 -0.048 -4.384 317 H GLY 42 H GLY 42 3.376 -2.837 -7.622 318 HA2 GLY 42 HA2 GLY 42 2.723 -1.156 -9.658 319 HA3 GLY 42 HA3 GLY 42 3.093 -2.659 -10.480 320 H LYS 43 H LYS 43 0.851 -2.884 -11.133 321 HA LYS 43 HA LYS 43 -1.270 -2.850 -9.323 322 HB2 LYS 43 HB2 LYS 43 -1.232 -2.752 -11.913 323 HB3 LYS 43 HB3 LYS 43 -1.223 -4.503 -11.846 324 HG2 LYS 43 HG2 LYS 43 -3.226 -3.855 -10.017 325 HG3 LYS 43 HG3 LYS 43 -3.416 -2.605 -11.230 326 HD2 LYS 43 HD2 LYS 43 -3.051 -5.439 -12.192 327 HD3 LYS 43 HD3 LYS 43 -4.594 -5.017 -11.476 328 HE2 LYS 43 HE2 LYS 43 -4.638 -2.989 -13.077 329 HE3 LYS 43 HE3 LYS 43 -3.266 -3.712 -13.891 330 HZ1 LYS 43 HZ1 LYS 43 -4.684 -5.067 -14.955 331 HZ2 LYS 43 HZ2 LYS 43 -5.240 -5.691 -13.557 332 H GLU 44 H GLU 44 -0.148 -5.850 -11.008 333 HA GLU 44 HA GLU 44 -1.226 -7.665 -9.470 334 HB2 GLU 44 HB2 GLU 44 1.515 -7.574 -10.740 335 HB3 GLU 44 HB3 GLU 44 1.060 -8.981 -9.799 336 HG2 GLU 44 HG2 GLU 44 0.535 -8.897 -12.398 337 HG3 GLU 44 HG3 GLU 44 -0.616 -9.625 -11.295 338 HE2 GLU 44 HE2 GLU 44 -1.375 -6.101 -13.028 339 H MET 45 H MET 45 1.573 -5.636 -8.548 340 HA MET 45 HA MET 45 2.176 -7.107 -6.232 341 HB2 MET 45 HB2 MET 45 3.421 -5.147 -7.689 342 HB3 MET 45 HB3 MET 45 2.767 -4.152 -6.403 343 HG2 MET 45 HG2 MET 45 4.822 -4.755 -5.463 344 HG3 MET 45 HG3 MET 45 3.797 -6.017 -4.809 345 HE1 MET 45 HE1 MET 45 6.628 -6.078 -4.801 346 HE2 MET 45 HE2 MET 45 6.305 -7.824 -4.676 347 HE3 MET 45 HE3 MET 45 7.463 -7.217 -5.885 348 H ALA 46 H ALA 46 0.553 -3.882 -6.717 349 HA ALA 46 HA ALA 46 -0.112 -3.412 -4.100 350 HB1 ALA 46 HB1 ALA 46 -2.222 -2.338 -5.478 351 HB2 ALA 46 HB2 ALA 46 -0.614 -1.586 -5.358 352 HB3 ALA 46 HB3 ALA 46 -1.035 -2.560 -6.786 353 H HIS 47 H HIS 47 -2.050 -5.147 -6.635 354 HA HIS 47 HA HIS 47 -4.081 -5.817 -4.784 355 HB2 HIS 47 HB2 HIS 47 -3.463 -7.000 -7.505 356 HB3 HIS 47 HB3 HIS 47 -4.956 -7.202 -6.610 357 HD1 HIS 47 HD1 HIS 47 -4.635 -5.815 -9.490 358 HD2 HIS 47 HD2 HIS 47 -5.110 -3.853 -5.813 359 HE1 HIS 47 HE1 HIS 47 -5.595 -3.512 -10.027 360 H GLY 48 H GLY 48 -1.054 -7.319 -5.923 361 HA2 GLY 48 HA2 GLY 48 -1.610 -9.904 -4.826 362 HA3 GLY 48 HA3 GLY 48 -0.077 -9.298 -5.422 363 H LYS 49 H LYS 49 1.365 -9.736 -3.778 364 HA LYS 49 HA LYS 49 0.555 -9.259 -1.046 365 HB2 LYS 49 HB2 LYS 49 2.586 -10.364 -0.444 366 HB3 LYS 49 HB3 LYS 49 1.837 -11.284 -1.733 367 HG2 LYS 49 HG2 LYS 49 3.362 -9.728 -3.293 368 HG3 LYS 49 HG3 LYS 49 4.307 -9.547 -1.829 369 HD2 LYS 49 HD2 LYS 49 4.967 -11.779 -1.799 370 HD3 LYS 49 HD3 LYS 49 3.484 -12.345 -2.542 371 HE2 LYS 49 HE2 LYS 49 5.319 -10.613 -4.199 372 HE3 LYS 49 HE3 LYS 49 5.802 -12.272 -3.905 373 HZ1 LYS 49 HZ1 LYS 49 4.259 -12.973 -5.365 374 HZ2 LYS 49 HZ2 LYS 49 3.054 -12.142 -4.651 375 H GLY 50 H GLY 50 0.428 -6.910 -2.599 376 HA2 GLY 50 HA2 GLY 50 2.833 -5.429 -1.728 377 HA3 GLY 50 HA3 GLY 50 1.808 -4.999 -3.082 378 H CYS 51 H CYS 51 -0.760 -5.074 -2.213 379 HA CYS 51 HA CYS 51 -0.733 -3.367 0.170 380 HB2 CYS 51 HB2 CYS 51 -2.440 -3.060 -2.309 381 HB3 CYS 51 HB3 CYS 51 -2.645 -2.144 -0.829 382 H LYS 52 H LYS 52 -3.472 -4.549 -1.853 383 HA LYS 52 HA LYS 52 -5.096 -5.328 0.149 384 HB2 LYS 52 HB2 LYS 52 -4.743 -6.335 -2.667 385 HB3 LYS 52 HB3 LYS 52 -5.946 -7.052 -1.615 386 HG2 LYS 52 HG2 LYS 52 -6.396 -4.350 -1.189 387 HG3 LYS 52 HG3 LYS 52 -5.895 -4.353 -2.868 388 HD2 LYS 52 HD2 LYS 52 -7.911 -6.420 -1.985 389 HD3 LYS 52 HD3 LYS 52 -8.455 -4.764 -2.169 390 HE2 LYS 52 HE2 LYS 52 -8.508 -4.981 -4.427 391 HE3 LYS 52 HE3 LYS 52 -6.817 -5.442 -4.460 392 HZ1 LYS 52 HZ1 LYS 52 -8.028 -7.280 -5.308 393 HZ2 LYS 52 HZ2 LYS 52 -7.623 -7.742 -3.800 394 H GLY 53 H GLY 53 -2.536 -7.341 -1.431 395 HA2 GLY 53 HA2 GLY 53 -2.804 -9.765 -0.419 396 HA3 GLY 53 HA3 GLY 53 -1.253 -8.949 -0.436 397 H CYS 54 H CYS 54 -0.912 -7.325 1.503 398 HA CYS 54 HA CYS 54 -0.894 -8.786 3.820 399 HB2 CYS 54 HB2 CYS 54 0.484 -6.734 3.261 400 HB3 CYS 54 HB3 CYS 54 -0.907 -5.757 3.686 401 H HIS 55 H HIS 55 -3.243 -6.327 2.587 402 HA HIS 55 HA HIS 55 -4.814 -6.115 4.827 403 HB2 HIS 55 HB2 HIS 55 -5.487 -5.922 1.884 404 HB3 HIS 55 HB3 HIS 55 -6.641 -5.544 3.148 405 HD1 HIS 55 HD1 HIS 55 -6.259 -3.174 1.581 406 HD2 HIS 55 HD2 HIS 55 -3.410 -4.214 4.480 407 HE1 HIS 55 HE1 HIS 55 -4.971 -1.038 2.116 408 H GLU 56 H GLU 56 -5.728 -8.085 1.912 409 HA GLU 56 HA GLU 56 -7.653 -9.517 3.233 410 HB2 GLU 56 HB2 GLU 56 -7.025 -11.265 1.296 411 HB3 GLU 56 HB3 GLU 56 -7.848 -9.758 0.949 412 HG2 GLU 56 HG2 GLU 56 -5.959 -8.769 0.006 413 HG3 GLU 56 HG3 GLU 56 -4.845 -9.667 1.017 414 HE2 GLU 56 HE2 GLU 56 -4.644 -10.230 -2.275 415 H GLU 57 H GLU 57 -4.168 -9.769 3.367 416 HA GLU 57 HA GLU 57 -4.035 -12.481 4.055 417 HB2 GLU 57 HB2 GLU 57 -2.065 -11.341 3.219 418 HB3 GLU 57 HB3 GLU 57 -2.137 -10.141 4.494 419 HG2 GLU 57 HG2 GLU 57 -1.844 -12.078 6.171 420 HG3 GLU 57 HG3 GLU 57 -1.498 -13.108 4.796 421 HE2 GLU 57 HE2 GLU 57 0.886 -11.917 6.782 422 H MET 58 H MET 58 -3.882 -9.436 6.039 423 HA MET 58 HA MET 58 -4.110 -11.005 8.424 424 HB2 MET 58 HB2 MET 58 -4.031 -7.983 7.896 425 HB3 MET 58 HB3 MET 58 -4.026 -8.685 9.502 426 HG2 MET 58 HG2 MET 58 -1.968 -9.848 7.703 427 HG3 MET 58 HG3 MET 58 -1.757 -8.131 7.983 428 HE1 MET 58 HE1 MET 58 -2.809 -7.487 10.716 429 HE2 MET 58 HE2 MET 58 -1.460 -7.841 11.822 430 HE3 MET 58 HE3 MET 58 -1.146 -7.048 10.259 431 H LYS 59 H LYS 59 -6.268 -9.830 6.098 432 HA LYS 59 HA LYS 59 -8.479 -9.769 6.035 433 HB2 LYS 59 HB2 LYS 59 -7.986 -11.262 8.491 434 HB3 LYS 59 HB3 LYS 59 -9.468 -10.333 8.588 435 HG2 LYS 59 HG2 LYS 59 -8.746 -12.184 6.267 436 HG3 LYS 59 HG3 LYS 59 -9.786 -12.635 7.603 437 HD2 LYS 59 HD2 LYS 59 -10.848 -10.177 6.693 438 HD3 LYS 59 HD3 LYS 59 -10.411 -11.028 5.225 439 HE2 LYS 59 HE2 LYS 59 -12.653 -11.723 5.707 440 HE3 LYS 59 HE3 LYS 59 -11.645 -13.077 6.177 441 HZ1 LYS 59 HZ1 LYS 59 -12.917 -12.815 8.062 442 HZ2 LYS 59 HZ2 LYS 59 -11.698 -11.821 8.482 443 H LYS 60 H LYS 60 -6.510 -7.627 7.235 444 HA LYS 60 HA LYS 60 -8.667 -5.882 8.203 445 HB2 LYS 60 HB2 LYS 60 -5.757 -5.853 9.056 446 HB3 LYS 60 HB3 LYS 60 -6.996 -4.735 9.588 447 HG2 LYS 60 HG2 LYS 60 -8.047 -7.370 9.999 448 HG3 LYS 60 HG3 LYS 60 -6.398 -7.395 10.591 449 HD2 LYS 60 HD2 LYS 60 -7.155 -6.396 12.483 450 HD3 LYS 60 HD3 LYS 60 -7.394 -4.940 11.538 451 HE2 LYS 60 HE2 LYS 60 -9.573 -6.953 11.253 452 HE3 LYS 60 HE3 LYS 60 -9.404 -6.301 12.871 453 HZ1 LYS 60 HZ1 LYS 60 -10.681 -5.053 10.820 454 HZ2 LYS 60 HZ2 LYS 60 -10.181 -4.310 12.180 455 H GLY 61 H GLY 61 -8.701 -3.737 7.397 456 HA2 GLY 61 HA2 GLY 61 -7.828 -1.973 6.136 457 HA3 GLY 61 HA3 GLY 61 -6.709 -3.068 5.350 458 HA PRO 62 HA PRO 62 -10.640 -2.267 2.790 459 HB2 PRO 62 HB2 PRO 62 -9.479 -0.661 0.872 460 HB3 PRO 62 HB3 PRO 62 -10.170 -0.026 2.401 461 HG2 PRO 62 HG2 PRO 62 -7.452 -0.732 1.705 462 HG3 PRO 62 HG3 PRO 62 -7.866 0.820 2.504 463 HD2 PRO 62 HD2 PRO 62 -6.883 -1.195 3.976 464 HD3 PRO 62 HD3 PRO 62 -8.317 -0.315 4.586 465 H THR 63 H THR 63 -10.992 -4.046 1.465 466 HA THR 63 HA THR 63 -8.709 -4.891 -0.195 467 HB THR 63 HB THR 63 -9.383 -7.220 0.276 468 HG1 THR 63 HG1 THR 63 -11.702 -6.559 0.499 469 HG21 THR 63 HG21 THR 63 -8.082 -6.985 2.154 470 HG22 THR 63 HG22 THR 63 -8.708 -5.349 2.469 471 HG23 THR 63 HG23 THR 63 -9.615 -6.773 3.035 472 H LYS 64 H LYS 64 -11.830 -3.602 -0.095 473 HA LYS 64 HA LYS 64 -12.600 -4.907 -2.589 474 HB2 LYS 64 HB2 LYS 64 -14.188 -2.998 -0.850 475 HB3 LYS 64 HB3 LYS 64 -14.790 -3.936 -2.202 476 HG2 LYS 64 HG2 LYS 64 -13.424 -5.693 -0.314 477 HG3 LYS 64 HG3 LYS 64 -14.628 -4.740 0.529 478 HD2 LYS 64 HD2 LYS 64 -16.404 -5.711 -0.600 479 HD3 LYS 64 HD3 LYS 64 -15.502 -5.891 -2.092 480 HE2 LYS 64 HE2 LYS 64 -14.345 -7.855 -1.274 481 HE3 LYS 64 HE3 LYS 64 -14.875 -7.572 0.372 482 HZ1 LYS 64 HZ1 LYS 64 -16.154 -9.271 -1.097 483 HZ2 LYS 64 HZ2 LYS 64 -17.019 -8.285 -0.132 484 H CYS 65 H CYS 65 -13.324 -3.552 -4.425 485 HA CYS 65 HA CYS 65 -11.393 -1.571 -4.957 486 HB2 CYS 65 HB2 CYS 65 -13.838 -1.741 -6.636 487 HB3 CYS 65 HB3 CYS 65 -12.155 -1.601 -7.102 488 H GLY 66 H GLY 66 -11.939 0.736 -5.552 489 HA2 GLY 66 HA2 GLY 66 -13.194 2.654 -5.377 490 HA3 GLY 66 HA3 GLY 66 -14.429 1.791 -4.482 491 H GLU 67 H GLU 67 -12.573 0.540 -2.535 492 HA GLU 67 HA GLU 67 -12.509 2.697 -0.724 493 HB2 GLU 67 HB2 GLU 67 -12.625 -0.066 -0.522 494 HB3 GLU 67 HB3 GLU 67 -10.986 0.259 0.008 495 HG2 GLU 67 HG2 GLU 67 -11.870 1.959 1.639 496 HG3 GLU 67 HG3 GLU 67 -13.504 1.581 1.128 497 HE2 GLU 67 HE2 GLU 67 -13.271 1.068 3.608 498 H CYS 68 H CYS 68 -10.307 1.447 -3.099 499 HA CYS 68 HA CYS 68 -8.097 2.843 -1.778 500 HB2 CYS 68 HB2 CYS 68 -8.240 0.281 -3.158 501 HB3 CYS 68 HB3 CYS 68 -7.032 1.324 -3.882 502 H HIS 69 H HIS 69 -9.730 2.125 -4.941 503 HA HIS 69 HA HIS 69 -8.389 4.378 -6.147 504 HB2 HIS 69 HB2 HIS 69 -10.397 2.409 -7.279 505 HB3 HIS 69 HB3 HIS 69 -9.548 3.635 -8.200 506 HD1 HIS 69 HD1 HIS 69 -6.785 3.374 -8.127 507 HD2 HIS 69 HD2 HIS 69 -9.085 0.007 -7.144 508 HE1 HIS 69 HE1 HIS 69 -5.237 1.359 -8.358 509 H LYS 70 H LYS 70 -9.154 6.354 -5.526 510 HA LYS 70 HA LYS 70 -12.078 6.656 -5.528 511 HB2 LYS 70 HB2 LYS 70 -9.977 7.989 -3.800 512 HB3 LYS 70 HB3 LYS 70 -11.627 8.565 -3.924 513 HG2 LYS 70 HG2 LYS 70 -12.163 5.956 -3.421 514 HG3 LYS 70 HG3 LYS 70 -10.584 6.038 -2.666 515 HD2 LYS 70 HD2 LYS 70 -11.958 8.394 -1.832 516 HD3 LYS 70 HD3 LYS 70 -13.130 7.097 -1.712 517 HE2 LYS 70 HE2 LYS 70 -10.894 5.878 -0.636 518 HE3 LYS 70 HE3 LYS 70 -10.629 7.540 -0.149 519 HZ1 LYS 70 HZ1 LYS 70 -11.972 6.660 1.537 520 HZ2 LYS 70 HZ2 LYS 70 -13.074 7.431 0.620 521 H LYS 71 H LYS 71 -12.811 7.766 -7.251 522 HA LYS 71 HA LYS 71 -11.290 8.879 -9.186 523 HB2 LYS 71 HB2 LYS 71 -14.077 9.620 -8.260 524 HB3 LYS 71 HB3 LYS 71 -13.359 10.230 -9.737 525 HG2 LYS 71 HG2 LYS 71 -12.930 7.787 -10.412 526 HG3 LYS 71 HG3 LYS 71 -13.903 7.311 -9.035 527 HD2 LYS 71 HD2 LYS 71 -15.832 8.620 -9.935 528 HD3 LYS 71 HD3 LYS 71 -14.859 9.121 -11.304 529 HE2 LYS 71 HE2 LYS 71 -16.166 7.252 -12.073 530 HE3 LYS 71 HE3 LYS 71 -14.535 6.643 -11.869 531 HZ1 LYS 71 HZ1 LYS 71 -15.274 5.891 -9.591 532 HZ2 LYS 71 HZ2 LYS 71 -16.806 6.261 -10.000 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 5.242 14.149 1.894 2 HA ALA 1 HA ALA 1 6.046 12.978 4.361 3 HB1 ALA 1 HB1 ALA 1 4.139 14.099 5.247 4 HB2 ALA 1 HB2 ALA 1 4.763 15.164 3.965 5 HB3 ALA 1 HB3 ALA 1 3.334 14.148 3.660 6 H ASP 2 H ASP 2 4.375 11.606 5.646 7 HA ASP 2 HA ASP 2 4.245 9.160 4.745 8 HB2 ASP 2 HB2 ASP 2 1.650 9.707 5.954 9 HB3 ASP 2 HB3 ASP 2 3.010 8.829 6.624 10 HD2 ASP 2 HD2 ASP 2 2.852 12.783 7.123 11 H ASP 3 H ASP 3 1.783 11.746 4.100 12 HA ASP 3 HA ASP 3 -0.024 10.193 2.743 13 HB2 ASP 3 HB2 ASP 3 0.462 12.981 1.747 14 HB3 ASP 3 HB3 ASP 3 -1.049 12.210 2.186 15 HD2 ASP 3 HD2 ASP 3 0.791 14.527 4.756 16 H ILE 4 H ILE 4 0.285 9.050 0.827 17 HA ILE 4 HA ILE 4 1.994 10.286 -1.204 18 HB ILE 4 HB ILE 4 2.130 7.450 -0.190 19 HG12 ILE 4 HG12 ILE 4 4.117 9.732 -0.294 20 HG13 ILE 4 HG13 ILE 4 3.453 8.957 1.130 21 HG21 ILE 4 HG21 ILE 4 2.728 6.742 -2.202 22 HG22 ILE 4 HG22 ILE 4 2.458 8.369 -2.872 23 HG23 ILE 4 HG23 ILE 4 4.057 7.925 -2.228 24 HD11 ILE 4 HD11 ILE 4 5.224 7.545 1.088 25 HD12 ILE 4 HD12 ILE 4 4.541 6.833 -0.394 26 HD13 ILE 4 HD13 ILE 4 5.731 8.152 -0.506 27 H VAL 5 H VAL 5 1.047 10.375 -3.185 28 HA VAL 5 HA VAL 5 -1.500 8.958 -3.439 29 HB VAL 5 HB VAL 5 -0.336 11.330 -4.910 30 HG11 VAL 5 HG11 VAL 5 -1.947 11.172 -6.456 31 HG12 VAL 5 HG12 VAL 5 -2.239 9.523 -5.855 32 HG13 VAL 5 HG13 VAL 5 -3.201 10.882 -5.226 33 HG21 VAL 5 HG21 VAL 5 -2.698 12.106 -3.681 34 HG22 VAL 5 HG22 VAL 5 -1.934 11.045 -2.473 35 HG23 VAL 5 HG23 VAL 5 -1.049 12.454 -3.106 36 H LEU 6 H LEU 6 -1.585 7.150 -4.663 37 HA LEU 6 HA LEU 6 0.667 6.672 -6.463 38 HB2 LEU 6 HB2 LEU 6 -1.395 4.802 -5.290 39 HB3 LEU 6 HB3 LEU 6 -0.135 4.328 -6.411 40 HG LEU 6 HG LEU 6 0.481 5.612 -3.745 41 HD11 LEU 6 HD11 LEU 6 0.195 2.658 -4.358 42 HD12 LEU 6 HD12 LEU 6 0.878 3.343 -2.863 43 HD13 LEU 6 HD13 LEU 6 -0.831 3.628 -3.274 44 HD21 LEU 6 HD21 LEU 6 2.052 4.610 -5.994 45 HD22 LEU 6 HD22 LEU 6 2.522 5.664 -4.639 46 HD23 LEU 6 HD23 LEU 6 2.534 3.896 -4.436 47 H LYS 7 H LYS 7 0.219 7.731 -8.369 48 HA LYS 7 HA LYS 7 -2.259 8.188 -9.435 49 HB2 LYS 7 HB2 LYS 7 -1.123 8.666 -11.490 50 HB3 LYS 7 HB3 LYS 7 -0.112 9.206 -10.165 51 HG2 LYS 7 HG2 LYS 7 0.621 6.490 -10.628 52 HG3 LYS 7 HG3 LYS 7 0.464 7.212 -12.217 53 HD2 LYS 7 HD2 LYS 7 2.512 8.141 -11.928 54 HD3 LYS 7 HD3 LYS 7 1.815 9.174 -10.696 55 HE2 LYS 7 HE2 LYS 7 2.362 7.573 -8.933 56 HE3 LYS 7 HE3 LYS 7 2.824 6.354 -10.105 57 HZ1 LYS 7 HZ1 LYS 7 4.219 8.966 -9.931 58 HZ2 LYS 7 HZ2 LYS 7 4.713 7.660 -9.092 59 H ALA 8 H ALA 8 -3.783 7.030 -10.547 60 HA ALA 8 HA ALA 8 -3.024 4.397 -11.538 61 HB1 ALA 8 HB1 ALA 8 -3.940 3.401 -9.733 62 HB2 ALA 8 HB2 ALA 8 -4.633 4.931 -9.145 63 HB3 ALA 8 HB3 ALA 8 -5.511 3.962 -10.352 64 H LYS 9 H LYS 9 -4.162 3.810 -13.393 65 HA LYS 9 HA LYS 9 -5.594 5.945 -14.649 66 HB2 LYS 9 HB2 LYS 9 -5.528 4.580 -16.606 67 HB3 LYS 9 HB3 LYS 9 -3.966 4.462 -15.821 68 HG2 LYS 9 HG2 LYS 9 -4.250 2.238 -15.266 69 HG3 LYS 9 HG3 LYS 9 -5.962 2.424 -14.943 70 HD2 LYS 9 HD2 LYS 9 -6.544 2.267 -17.258 71 HD3 LYS 9 HD3 LYS 9 -4.909 2.609 -17.787 72 HE2 LYS 9 HE2 LYS 9 -4.507 0.334 -16.261 73 HE3 LYS 9 HE3 LYS 9 -6.110 0.031 -16.900 74 HZ1 LYS 9 HZ1 LYS 9 -5.233 -0.347 -18.924 75 HZ2 LYS 9 HZ2 LYS 9 -4.374 1.036 -18.931 76 H ASN 10 H ASN 10 -6.477 3.901 -12.233 77 HA ASN 10 HA ASN 10 -9.207 3.846 -13.243 78 HB2 ASN 10 HB2 ASN 10 -7.723 1.555 -12.868 79 HB3 ASN 10 HB3 ASN 10 -8.405 1.736 -11.264 80 HD21 ASN 10 HD21 ASN 10 -10.020 0.380 -11.086 81 HD22 ASN 10 HD22 ASN 10 -11.329 0.160 -12.198 82 H GLY 11 H GLY 11 -7.744 5.833 -11.582 83 HA2 GLY 11 HA2 GLY 11 -8.775 7.096 -9.867 84 HA3 GLY 11 HA3 GLY 11 -9.355 5.619 -9.124 85 H ASP 12 H ASP 12 -7.200 8.064 -8.675 86 HA ASP 12 HA ASP 12 -4.807 6.825 -8.150 87 HB2 ASP 12 HB2 ASP 12 -4.291 8.802 -6.800 88 HB3 ASP 12 HB3 ASP 12 -5.180 9.295 -8.228 89 HD2 ASP 12 HD2 ASP 12 -6.836 11.285 -6.253 90 H VAL 13 H VAL 13 -3.846 6.293 -5.960 91 HA VAL 13 HA VAL 13 -5.926 5.435 -4.067 92 HB VAL 13 HB VAL 13 -3.285 4.111 -4.719 93 HG11 VAL 13 HG11 VAL 13 -5.417 2.747 -3.137 94 HG12 VAL 13 HG12 VAL 13 -3.645 2.601 -3.043 95 HG13 VAL 13 HG13 VAL 13 -4.463 4.007 -2.318 96 HG21 VAL 13 HG21 VAL 13 -4.381 3.214 -6.451 97 HG22 VAL 13 HG22 VAL 13 -5.354 2.324 -5.255 98 HG23 VAL 13 HG23 VAL 13 -5.941 3.874 -5.903 99 H LYS 14 H LYS 14 -5.870 6.562 -2.199 100 HA LYS 14 HA LYS 14 -3.503 8.110 -1.608 101 HB2 LYS 14 HB2 LYS 14 -5.938 8.920 -1.463 102 HB3 LYS 14 HB3 LYS 14 -6.051 7.980 0.011 103 HG2 LYS 14 HG2 LYS 14 -3.740 9.908 -0.358 104 HG3 LYS 14 HG3 LYS 14 -5.311 10.524 0.117 105 HD2 LYS 14 HD2 LYS 14 -5.334 9.219 2.143 106 HD3 LYS 14 HD3 LYS 14 -4.008 8.209 1.603 107 HE2 LYS 14 HE2 LYS 14 -2.526 9.625 2.571 108 HE3 LYS 14 HE3 LYS 14 -3.062 10.918 1.516 109 HZ1 LYS 14 HZ1 LYS 14 -3.963 11.872 3.322 110 HZ2 LYS 14 HZ2 LYS 14 -5.016 10.640 3.480 111 H PHE 15 H PHE 15 -1.831 6.903 -0.814 112 HA PHE 15 HA PHE 15 -2.493 4.904 1.211 113 HB2 PHE 15 HB2 PHE 15 -1.105 4.252 -0.776 114 HB3 PHE 15 HB3 PHE 15 -0.004 5.580 -0.468 115 HD1 PHE 15 HD1 PHE 15 -1.441 2.800 1.586 116 HD2 PHE 15 HD2 PHE 15 2.032 4.891 0.333 117 HE1 PHE 15 HE1 PHE 15 -0.022 1.296 3.009 118 HE2 PHE 15 HE2 PHE 15 3.451 3.386 1.755 119 HZ PHE 15 HZ PHE 15 2.407 1.607 3.076 120 HA PRO 16 HA PRO 16 -0.841 7.750 4.197 121 HB2 PRO 16 HB2 PRO 16 -1.718 6.415 6.402 122 HB3 PRO 16 HB3 PRO 16 -2.855 7.238 5.284 123 HG2 PRO 16 HG2 PRO 16 -2.458 4.102 5.405 124 HG3 PRO 16 HG3 PRO 16 -3.643 5.433 5.203 125 HD2 PRO 16 HD2 PRO 16 -2.020 4.010 3.172 126 HD3 PRO 16 HD3 PRO 16 -3.353 5.178 2.921 127 H HIS 17 H HIS 17 1.457 7.410 3.799 128 HA HIS 17 HA HIS 17 2.617 4.959 4.712 129 HB2 HIS 17 HB2 HIS 17 3.432 6.154 2.714 130 HB3 HIS 17 HB3 HIS 17 3.894 7.519 3.711 131 HD1 HIS 17 HD1 HIS 17 5.816 6.970 5.593 132 HD2 HIS 17 HD2 HIS 17 5.361 4.207 2.469 133 HE1 HIS 17 HE1 HIS 17 7.949 5.569 5.561 134 H LYS 18 H LYS 18 1.258 5.838 6.867 135 HA LYS 18 HA LYS 18 3.427 6.651 8.632 136 HB2 LYS 18 HB2 LYS 18 2.583 8.762 8.545 137 HB3 LYS 18 HB3 LYS 18 0.986 8.238 8.049 138 HG2 LYS 18 HG2 LYS 18 0.438 7.518 10.324 139 HG3 LYS 18 HG3 LYS 18 2.086 7.782 10.860 140 HD2 LYS 18 HD2 LYS 18 1.492 9.894 11.430 141 HD3 LYS 18 HD3 LYS 18 1.327 10.255 9.723 142 HE2 LYS 18 HE2 LYS 18 -0.911 10.504 9.981 143 HE3 LYS 18 HE3 LYS 18 -1.046 8.835 10.500 144 HZ1 LYS 18 HZ1 LYS 18 -1.221 11.168 12.092 145 HZ2 LYS 18 HZ2 LYS 18 -1.520 9.629 12.532 146 H ALA 19 H ALA 19 -0.157 6.046 8.768 147 HA ALA 19 HA ALA 19 -0.112 4.719 11.180 148 HB1 ALA 19 HB1 ALA 19 -1.968 5.372 9.132 149 HB2 ALA 19 HB2 ALA 19 -2.131 3.623 9.422 150 HB3 ALA 19 HB3 ALA 19 -2.319 4.771 10.770 151 H HIS 20 H HIS 20 1.011 3.706 8.022 152 HA HIS 20 HA HIS 20 0.819 0.912 8.627 153 HB2 HIS 20 HB2 HIS 20 1.924 2.543 6.351 154 HB3 HIS 20 HB3 HIS 20 2.303 0.837 6.482 155 HD1 HIS 20 HD1 HIS 20 -0.623 3.189 5.947 156 HD2 HIS 20 HD2 HIS 20 0.234 -0.914 5.788 157 HE1 HIS 20 HE1 HIS 20 -2.644 2.079 4.856 158 H GLN 21 H GLN 21 2.609 3.275 9.998 159 HA GLN 21 HA GLN 21 5.111 1.832 9.897 160 HB2 GLN 21 HB2 GLN 21 4.321 4.524 11.082 161 HB3 GLN 21 HB3 GLN 21 5.915 3.826 11.294 162 HG2 GLN 21 HG2 GLN 21 6.252 3.761 8.841 163 HG3 GLN 21 HG3 GLN 21 4.622 4.347 8.574 164 HE21 GLN 21 HE21 GLN 21 5.306 6.155 7.482 165 HE22 GLN 21 HE22 GLN 21 6.049 7.519 8.249 166 H LYS 22 H LYS 22 2.769 3.139 12.354 167 HA LYS 22 HA LYS 22 3.997 1.780 14.500 168 HB2 LYS 22 HB2 LYS 22 2.405 2.785 15.810 169 HB3 LYS 22 HB3 LYS 22 2.408 3.865 14.431 170 HG2 LYS 22 HG2 LYS 22 0.142 3.505 14.458 171 HG3 LYS 22 HG3 LYS 22 0.553 2.052 13.570 172 HD2 LYS 22 HD2 LYS 22 0.108 0.662 15.355 173 HD3 LYS 22 HD3 LYS 22 0.759 1.785 16.532 174 HE2 LYS 22 HE2 LYS 22 -1.533 3.094 15.511 175 HE3 LYS 22 HE3 LYS 22 -2.022 1.418 15.659 176 HZ1 LYS 22 HZ1 LYS 22 -1.381 3.298 17.755 177 HZ2 LYS 22 HZ2 LYS 22 -2.324 1.972 17.821 178 H ALA 23 H ALA 23 1.599 0.914 12.040 179 HA ALA 23 HA ALA 23 0.672 -1.387 13.469 180 HB1 ALA 23 HB1 ALA 23 -0.235 -1.839 11.030 181 HB2 ALA 23 HB2 ALA 23 -0.926 -0.525 12.012 182 HB3 ALA 23 HB3 ALA 23 0.272 -0.157 10.747 183 H VAL 24 H VAL 24 3.273 -0.563 11.199 184 HA VAL 24 HA VAL 24 4.236 -3.305 11.477 185 HB VAL 24 HB VAL 24 4.067 -1.804 8.856 186 HG11 VAL 24 HG11 VAL 24 6.066 -3.323 9.219 187 HG12 VAL 24 HG12 VAL 24 4.915 -4.677 9.316 188 HG13 VAL 24 HG13 VAL 24 5.037 -3.718 7.822 189 HG21 VAL 24 HG21 VAL 24 1.871 -2.668 9.707 190 HG22 VAL 24 HG22 VAL 24 2.396 -3.392 8.168 191 HG23 VAL 24 HG23 VAL 24 2.565 -4.308 9.685 192 HA PRO 25 HA PRO 25 7.021 0.289 12.779 193 HB2 PRO 25 HB2 PRO 25 7.733 -2.169 14.446 194 HB3 PRO 25 HB3 PRO 25 7.791 -0.426 14.867 195 HG2 PRO 25 HG2 PRO 25 5.431 -1.830 15.646 196 HG3 PRO 25 HG3 PRO 25 5.630 -0.208 14.905 197 HD2 PRO 25 HD2 PRO 25 4.904 -2.887 13.595 198 HD3 PRO 25 HD3 PRO 25 4.081 -1.307 13.429 199 H ASP 26 H ASP 26 7.371 -3.093 11.636 200 HA ASP 26 HA ASP 26 10.163 -2.778 11.222 201 HB2 ASP 26 HB2 ASP 26 9.117 -4.992 11.671 202 HB3 ASP 26 HB3 ASP 26 8.171 -4.857 10.202 203 HD2 ASP 26 HD2 ASP 26 11.067 -5.766 11.500 204 H CYS 27 H CYS 27 10.927 -1.515 9.520 205 HA CYS 27 HA CYS 27 9.173 -0.925 7.326 206 HB2 CYS 27 HB2 CYS 27 12.044 -0.077 7.438 207 HB3 CYS 27 HB3 CYS 27 10.666 0.744 6.732 208 H LYS 28 H LYS 28 11.475 -3.334 8.211 209 HA LYS 28 HA LYS 28 12.510 -3.802 5.586 210 HB2 LYS 28 HB2 LYS 28 12.659 -5.348 8.186 211 HB3 LYS 28 HB3 LYS 28 13.422 -5.882 6.702 212 HG2 LYS 28 HG2 LYS 28 14.081 -3.092 7.106 213 HG3 LYS 28 HG3 LYS 28 14.391 -3.950 8.602 214 HD2 LYS 28 HD2 LYS 28 16.364 -4.591 7.666 215 HD3 LYS 28 HD3 LYS 28 15.421 -5.706 6.697 216 HE2 LYS 28 HE2 LYS 28 16.320 -4.593 4.911 217 HE3 LYS 28 HE3 LYS 28 15.096 -3.384 5.246 218 HZ1 LYS 28 HZ1 LYS 28 16.916 -2.503 6.896 219 HZ2 LYS 28 HZ2 LYS 28 17.949 -3.314 5.933 220 H LYS 29 H LYS 29 9.470 -4.169 6.933 221 HA LYS 29 HA LYS 29 8.816 -6.765 6.026 222 HB2 LYS 29 HB2 LYS 29 7.418 -4.430 7.189 223 HB3 LYS 29 HB3 LYS 29 6.432 -5.441 6.151 224 HG2 LYS 29 HG2 LYS 29 8.187 -6.618 8.347 225 HG3 LYS 29 HG3 LYS 29 6.547 -6.084 8.659 226 HD2 LYS 29 HD2 LYS 29 6.300 -7.656 6.335 227 HD3 LYS 29 HD3 LYS 29 7.490 -8.518 7.291 228 HE2 LYS 29 HE2 LYS 29 5.981 -8.651 9.203 229 HE3 LYS 29 HE3 LYS 29 4.842 -7.548 8.456 230 HZ1 LYS 29 HZ1 LYS 29 4.920 -9.414 6.583 231 HZ2 LYS 29 HZ2 LYS 29 5.308 -10.365 7.846 232 H CYS 30 H CYS 30 8.334 -3.440 4.664 233 HA CYS 30 HA CYS 30 7.545 -4.695 2.161 234 HB2 CYS 30 HB2 CYS 30 7.524 -1.731 2.774 235 HB3 CYS 30 HB3 CYS 30 6.666 -2.580 1.504 236 H HIS 31 H HIS 31 9.792 -2.162 3.500 237 HA HIS 31 HA HIS 31 11.271 -2.013 1.092 238 HB2 HIS 31 HB2 HIS 31 11.902 -1.048 3.895 239 HB3 HIS 31 HB3 HIS 31 12.833 -0.646 2.466 240 HD1 HIS 31 HD1 HIS 31 11.128 0.454 0.438 241 HD2 HIS 31 HD2 HIS 31 10.078 0.884 4.477 242 HE1 HIS 31 HE1 HIS 31 9.495 2.411 0.547 243 H GLU 32 H GLU 32 12.287 -3.839 0.365 244 HA GLU 32 HA GLU 32 13.473 -5.601 2.282 245 HB2 GLU 32 HB2 GLU 32 12.568 -5.747 -0.477 246 HB3 GLU 32 HB3 GLU 32 14.203 -6.367 -0.365 247 HG2 GLU 32 HG2 GLU 32 13.548 -8.223 0.797 248 HG3 GLU 32 HG3 GLU 32 12.507 -7.300 1.863 249 HE2 GLU 32 HE2 GLU 32 9.759 -8.489 0.346 250 H LYS 33 H LYS 33 14.551 -3.491 -0.463 251 HA LYS 33 HA LYS 33 17.311 -3.912 0.343 252 HB2 LYS 33 HB2 LYS 33 16.070 -2.488 -2.028 253 HB3 LYS 33 HB3 LYS 33 17.793 -2.588 -1.729 254 HG2 LYS 33 HG2 LYS 33 17.014 -5.246 -1.463 255 HG3 LYS 33 HG3 LYS 33 15.923 -4.676 -2.711 256 HD2 LYS 33 HD2 LYS 33 18.288 -3.563 -3.577 257 HD3 LYS 33 HD3 LYS 33 18.891 -5.008 -2.791 258 HE2 LYS 33 HE2 LYS 33 18.455 -5.626 -5.078 259 HE3 LYS 33 HE3 LYS 33 17.174 -6.353 -4.129 260 HZ1 LYS 33 HZ1 LYS 33 16.818 -3.695 -5.383 261 HZ2 LYS 33 HZ2 LYS 33 16.480 -5.064 -6.197 262 H GLY 34 H GLY 34 15.426 -2.555 2.164 263 HA2 GLY 34 HA2 GLY 34 15.824 -0.875 3.671 264 HA3 GLY 34 HA3 GLY 34 17.015 -0.166 2.598 265 HA PRO 35 HA PRO 35 12.882 2.214 2.719 266 HB2 PRO 35 HB2 PRO 35 14.123 4.613 3.370 267 HB3 PRO 35 HB3 PRO 35 13.517 3.432 4.577 268 HG2 PRO 35 HG2 PRO 35 16.062 3.650 3.358 269 HG3 PRO 35 HG3 PRO 35 16.238 3.541 5.140 270 HD2 PRO 35 HD2 PRO 35 16.583 1.277 4.089 271 HD3 PRO 35 HD3 PRO 35 15.033 1.288 4.983 272 H GLY 36 H GLY 36 12.184 3.381 0.869 273 HA2 GLY 36 HA2 GLY 36 13.196 5.114 -0.739 274 HA3 GLY 36 HA3 GLY 36 14.273 3.798 -1.164 275 H LYS 37 H LYS 37 13.149 4.326 -3.352 276 HA LYS 37 HA LYS 37 10.457 3.581 -3.694 277 HB2 LYS 37 HB2 LYS 37 12.782 4.201 -5.474 278 HB3 LYS 37 HB3 LYS 37 11.400 3.384 -6.176 279 HG2 LYS 37 HG2 LYS 37 10.433 5.432 -6.361 280 HG3 LYS 37 HG3 LYS 37 10.203 5.381 -4.625 281 HD2 LYS 37 HD2 LYS 37 11.569 7.180 -4.443 282 HD3 LYS 37 HD3 LYS 37 12.903 6.171 -4.963 283 HE2 LYS 37 HE2 LYS 37 11.206 7.061 -7.218 284 HE3 LYS 37 HE3 LYS 37 11.907 8.401 -6.332 285 HZ1 LYS 37 HZ1 LYS 37 13.797 6.286 -6.818 286 HZ2 LYS 37 HZ2 LYS 37 13.216 6.921 -8.200 287 H ILE 38 H ILE 38 9.566 1.672 -4.694 288 HA ILE 38 HA ILE 38 11.258 -0.672 -4.196 289 HB ILE 38 HB ILE 38 8.250 -0.398 -4.210 290 HG12 ILE 38 HG12 ILE 38 10.095 -0.901 -1.861 291 HG13 ILE 38 HG13 ILE 38 9.486 0.684 -2.292 292 HG21 ILE 38 HG21 ILE 38 9.776 -2.809 -3.258 293 HG22 ILE 38 HG22 ILE 38 8.065 -2.661 -3.727 294 HG23 ILE 38 HG23 ILE 38 9.336 -2.622 -4.973 295 HD11 ILE 38 HD11 ILE 38 7.147 -0.129 -2.065 296 HD12 ILE 38 HD12 ILE 38 7.756 -1.749 -1.646 297 HD13 ILE 38 HD13 ILE 38 8.064 -0.374 -0.559 298 H GLU 39 H GLU 39 12.038 -1.706 -5.947 299 HA GLU 39 HA GLU 39 10.959 -0.987 -8.499 300 HB2 GLU 39 HB2 GLU 39 13.392 -2.442 -7.497 301 HB3 GLU 39 HB3 GLU 39 12.864 -2.787 -9.132 302 HG2 GLU 39 HG2 GLU 39 12.717 0.047 -8.866 303 HG3 GLU 39 HG3 GLU 39 14.226 -0.418 -8.106 304 HE2 GLU 39 HE2 GLU 39 13.963 0.928 -10.516 305 H GLY 40 H GLY 40 9.679 -2.267 -9.826 306 HA2 GLY 40 HA2 GLY 40 8.965 -4.391 -10.592 307 HA3 GLY 40 HA3 GLY 40 9.228 -5.056 -8.992 308 H PHE 41 H PHE 41 8.006 -2.870 -7.466 309 HA PHE 41 HA PHE 41 5.522 -3.713 -7.072 310 HB2 PHE 41 HB2 PHE 41 6.794 -1.863 -5.877 311 HB3 PHE 41 HB3 PHE 41 6.500 -0.798 -7.237 312 HD1 PHE 41 HD1 PHE 41 4.613 -2.884 -4.783 313 HD2 PHE 41 HD2 PHE 41 4.695 0.642 -7.143 314 HE1 PHE 41 HE1 PHE 41 2.466 -2.127 -3.727 315 HE2 PHE 41 HE2 PHE 41 2.548 1.399 -6.087 316 HZ PHE 41 HZ PHE 41 1.459 0.005 -4.391 317 H GLY 42 H GLY 42 3.336 -2.793 -7.609 318 HA2 GLY 42 HA2 GLY 42 2.687 -1.120 -9.645 319 HA3 GLY 42 HA3 GLY 42 3.043 -2.624 -10.470 320 H LYS 43 H LYS 43 0.787 -2.804 -11.113 321 HA LYS 43 HA LYS 43 -1.320 -2.770 -9.290 322 HB2 LYS 43 HB2 LYS 43 -1.365 -2.609 -11.841 323 HB3 LYS 43 HB3 LYS 43 -1.238 -4.356 -11.864 324 HG2 LYS 43 HG2 LYS 43 -3.261 -3.946 -9.992 325 HG3 LYS 43 HG3 LYS 43 -3.546 -2.644 -11.129 326 HD2 LYS 43 HD2 LYS 43 -2.968 -5.004 -12.670 327 HD3 LYS 43 HD3 LYS 43 -4.126 -5.463 -11.438 328 HE2 LYS 43 HE2 LYS 43 -5.784 -4.017 -12.247 329 HE3 LYS 43 HE3 LYS 43 -4.627 -2.884 -12.916 330 HZ1 LYS 43 HZ1 LYS 43 -5.245 -3.919 -14.838 331 HZ2 LYS 43 HZ2 LYS 43 -4.119 -5.021 -14.424 332 H GLU 44 H GLU 44 -0.230 -5.768 -11.002 333 HA GLU 44 HA GLU 44 -1.317 -7.584 -9.470 334 HB2 GLU 44 HB2 GLU 44 1.443 -7.523 -10.715 335 HB3 GLU 44 HB3 GLU 44 0.916 -8.943 -9.833 336 HG2 GLU 44 HG2 GLU 44 0.430 -8.602 -12.480 337 HG3 GLU 44 HG3 GLU 44 -0.618 -9.547 -11.442 338 HE2 GLU 44 HE2 GLU 44 -1.870 -6.597 -13.442 339 H MET 45 H MET 45 1.509 -5.591 -8.551 340 HA MET 45 HA MET 45 2.108 -7.082 -6.247 341 HB2 MET 45 HB2 MET 45 3.372 -5.133 -7.697 342 HB3 MET 45 HB3 MET 45 2.727 -4.130 -6.412 343 HG2 MET 45 HG2 MET 45 4.782 -4.754 -5.479 344 HG3 MET 45 HG3 MET 45 3.739 -5.994 -4.811 345 HE1 MET 45 HE1 MET 45 6.684 -6.005 -4.959 346 HE2 MET 45 HE2 MET 45 6.229 -7.689 -4.604 347 HE3 MET 45 HE3 MET 45 7.377 -7.336 -5.918 348 H ALA 46 H ALA 46 0.516 -3.837 -6.704 349 HA ALA 46 HA ALA 46 -0.128 -3.372 -4.082 350 HB1 ALA 46 HB1 ALA 46 -1.895 -1.903 -5.023 351 HB2 ALA 46 HB2 ALA 46 -0.354 -1.735 -5.899 352 HB3 ALA 46 HB3 ALA 46 -1.683 -2.682 -6.609 353 H HIS 47 H HIS 47 -2.109 -5.072 -6.610 354 HA HIS 47 HA HIS 47 -4.125 -5.738 -4.741 355 HB2 HIS 47 HB2 HIS 47 -3.550 -6.916 -7.474 356 HB3 HIS 47 HB3 HIS 47 -5.038 -7.095 -6.566 357 HD1 HIS 47 HD1 HIS 47 -4.668 -5.686 -9.449 358 HD2 HIS 47 HD2 HIS 47 -5.181 -3.766 -5.755 359 HE1 HIS 47 HE1 HIS 47 -5.607 -3.372 -9.971 360 H GLY 48 H GLY 48 -1.122 -7.257 -5.918 361 HA2 GLY 48 HA2 GLY 48 -1.694 -9.843 -4.828 362 HA3 GLY 48 HA3 GLY 48 -0.164 -9.253 -5.446 363 H LYS 49 H LYS 49 1.286 -9.746 -3.818 364 HA LYS 49 HA LYS 49 0.530 -9.263 -1.075 365 HB2 LYS 49 HB2 LYS 49 1.787 -11.294 -1.801 366 HB3 LYS 49 HB3 LYS 49 3.144 -10.274 -2.236 367 HG2 LYS 49 HG2 LYS 49 2.568 -9.408 0.351 368 HG3 LYS 49 HG3 LYS 49 2.205 -11.120 0.448 369 HD2 LYS 49 HD2 LYS 49 4.434 -11.730 -0.298 370 HD3 LYS 49 HD3 LYS 49 4.803 -10.080 -0.762 371 HE2 LYS 49 HE2 LYS 49 4.171 -10.897 2.112 372 HE3 LYS 49 HE3 LYS 49 5.801 -10.845 1.471 373 HZ1 LYS 49 HZ1 LYS 49 4.125 -8.456 1.144 374 HZ2 LYS 49 HZ2 LYS 49 4.761 -8.743 2.615 375 H GLY 50 H GLY 50 0.380 -6.898 -2.575 376 HA2 GLY 50 HA2 GLY 50 2.816 -5.443 -1.742 377 HA3 GLY 50 HA3 GLY 50 1.776 -4.995 -3.079 378 H CYS 51 H CYS 51 -0.782 -5.064 -2.171 379 HA CYS 51 HA CYS 51 -0.706 -3.360 0.213 380 HB2 CYS 51 HB2 CYS 51 -2.472 -3.065 -2.225 381 HB3 CYS 51 HB3 CYS 51 -2.643 -2.144 -0.744 382 H LYS 52 H LYS 52 -3.494 -4.545 -1.737 383 HA LYS 52 HA LYS 52 -5.048 -5.337 0.325 384 HB2 LYS 52 HB2 LYS 52 -4.823 -6.404 -2.495 385 HB3 LYS 52 HB3 LYS 52 -6.063 -6.952 -1.386 386 HG2 LYS 52 HG2 LYS 52 -6.325 -4.249 -1.053 387 HG3 LYS 52 HG3 LYS 52 -5.740 -4.282 -2.705 388 HD2 LYS 52 HD2 LYS 52 -7.926 -6.222 -1.987 389 HD3 LYS 52 HD3 LYS 52 -8.366 -4.529 -2.091 390 HE2 LYS 52 HE2 LYS 52 -8.635 -5.006 -4.325 391 HE3 LYS 52 HE3 LYS 52 -6.905 -4.737 -4.388 392 HZ1 LYS 52 HZ1 LYS 52 -8.203 -7.386 -4.034 393 HZ2 LYS 52 HZ2 LYS 52 -7.474 -6.865 -5.394 394 H GLY 53 H GLY 53 -2.608 -7.364 -1.428 395 HA2 GLY 53 HA2 GLY 53 -2.828 -9.793 -0.459 396 HA3 GLY 53 HA3 GLY 53 -1.276 -8.981 -0.497 397 H CYS 54 H CYS 54 -0.964 -7.342 1.484 398 HA CYS 54 HA CYS 54 -0.861 -8.895 3.760 399 HB2 CYS 54 HB2 CYS 54 0.585 -6.938 3.338 400 HB3 CYS 54 HB3 CYS 54 -0.785 -5.867 3.550 401 H HIS 55 H HIS 55 -3.171 -6.295 2.727 402 HA HIS 55 HA HIS 55 -4.697 -6.127 4.963 403 HB2 HIS 55 HB2 HIS 55 -5.488 -5.970 2.047 404 HB3 HIS 55 HB3 HIS 55 -6.576 -5.555 3.356 405 HD1 HIS 55 HD1 HIS 55 -6.119 -3.265 1.596 406 HD2 HIS 55 HD2 HIS 55 -3.391 -4.196 4.644 407 HE1 HIS 55 HE1 HIS 55 -4.814 -1.123 2.067 408 H GLU 56 H GLU 56 -5.724 -8.116 2.100 409 HA GLU 56 HA GLU 56 -7.618 -9.523 3.454 410 HB2 GLU 56 HB2 GLU 56 -6.949 -11.339 1.578 411 HB3 GLU 56 HB3 GLU 56 -7.812 -9.865 1.189 412 HG2 GLU 56 HG2 GLU 56 -5.969 -8.874 0.182 413 HG3 GLU 56 HG3 GLU 56 -4.822 -9.655 1.253 414 HE2 GLU 56 HE2 GLU 56 -6.088 -11.475 -2.076 415 H GLU 57 H GLU 57 -4.143 -9.760 3.651 416 HA GLU 57 HA GLU 57 -3.895 -12.430 4.321 417 HB2 GLU 57 HB2 GLU 57 -2.196 -10.233 4.042 418 HB3 GLU 57 HB3 GLU 57 -2.047 -10.617 5.745 419 HG2 GLU 57 HG2 GLU 57 -1.387 -12.342 3.349 420 HG3 GLU 57 HG3 GLU 57 -0.401 -11.993 4.755 421 HE2 GLU 57 HE2 GLU 57 -3.106 -14.195 3.817 422 H MET 58 H MET 58 -4.291 -9.491 6.420 423 HA MET 58 HA MET 58 -4.803 -11.294 8.637 424 HB2 MET 58 HB2 MET 58 -4.357 -8.257 8.536 425 HB3 MET 58 HB3 MET 58 -4.532 -9.187 10.011 426 HG2 MET 58 HG2 MET 58 -2.478 -10.376 8.290 427 HG3 MET 58 HG3 MET 58 -2.128 -8.684 8.584 428 HE1 MET 58 HE1 MET 58 -1.876 -8.303 12.318 429 HE2 MET 58 HE2 MET 58 -0.768 -8.016 10.955 430 HE3 MET 58 HE3 MET 58 -2.492 -7.601 10.802 431 H LYS 59 H LYS 59 -6.566 -10.021 6.197 432 HA LYS 59 HA LYS 59 -8.722 -9.648 5.895 433 HB2 LYS 59 HB2 LYS 59 -8.742 -10.932 8.586 434 HB3 LYS 59 HB3 LYS 59 -10.199 -10.093 8.096 435 HG2 LYS 59 HG2 LYS 59 -10.608 -12.203 7.186 436 HG3 LYS 59 HG3 LYS 59 -9.864 -11.409 5.812 437 HD2 LYS 59 HD2 LYS 59 -8.227 -12.973 5.794 438 HD3 LYS 59 HD3 LYS 59 -7.718 -12.458 7.389 439 HE2 LYS 59 HE2 LYS 59 -8.222 -14.769 7.663 440 HE3 LYS 59 HE3 LYS 59 -9.623 -13.949 8.323 441 HZ1 LYS 59 HZ1 LYS 59 -9.682 -14.635 5.472 442 HZ2 LYS 59 HZ2 LYS 59 -9.892 -15.847 6.539 443 H LYS 60 H LYS 60 -6.656 -7.776 7.504 444 HA LYS 60 HA LYS 60 -8.683 -5.813 8.303 445 HB2 LYS 60 HB2 LYS 60 -5.739 -5.884 9.020 446 HB3 LYS 60 HB3 LYS 60 -6.948 -4.784 9.650 447 HG2 LYS 60 HG2 LYS 60 -7.527 -7.722 9.915 448 HG3 LYS 60 HG3 LYS 60 -6.245 -7.079 10.922 449 HD2 LYS 60 HD2 LYS 60 -7.998 -6.604 12.340 450 HD3 LYS 60 HD3 LYS 60 -8.099 -5.151 11.367 451 HE2 LYS 60 HE2 LYS 60 -10.220 -5.730 10.807 452 HE3 LYS 60 HE3 LYS 60 -9.574 -7.094 9.917 453 HZ1 LYS 60 HZ1 LYS 60 -11.196 -7.704 11.701 454 HZ2 LYS 60 HZ2 LYS 60 -9.764 -8.463 11.867 455 H GLY 61 H GLY 61 -8.563 -3.654 7.500 456 HA2 GLY 61 HA2 GLY 61 -7.680 -1.977 6.161 457 HA3 GLY 61 HA3 GLY 61 -6.618 -3.131 5.380 458 HA PRO 62 HA PRO 62 -10.571 -2.251 2.879 459 HB2 PRO 62 HB2 PRO 62 -9.459 -0.607 0.972 460 HB3 PRO 62 HB3 PRO 62 -10.106 0.000 2.531 461 HG2 PRO 62 HG2 PRO 62 -7.407 -0.703 1.744 462 HG3 PRO 62 HG3 PRO 62 -7.796 0.835 2.583 463 HD2 PRO 62 HD2 PRO 62 -6.774 -1.224 3.980 464 HD3 PRO 62 HD3 PRO 62 -8.169 -0.331 4.658 465 H THR 63 H THR 63 -10.921 -4.042 1.569 466 HA THR 63 HA THR 63 -8.666 -4.841 -0.151 467 HB THR 63 HB THR 63 -9.290 -7.169 0.305 468 HG1 THR 63 HG1 THR 63 -11.621 -6.634 0.459 469 HG21 THR 63 HG21 THR 63 -9.661 -6.659 3.080 470 HG22 THR 63 HG22 THR 63 -8.123 -7.032 2.266 471 HG23 THR 63 HG23 THR 63 -8.623 -5.338 2.491 472 H LYS 64 H LYS 64 -11.803 -3.577 0.017 473 HA LYS 64 HA LYS 64 -12.603 -4.837 -2.486 474 HB2 LYS 64 HB2 LYS 64 -14.198 -2.877 -0.826 475 HB3 LYS 64 HB3 LYS 64 -14.782 -3.984 -2.051 476 HG2 LYS 64 HG2 LYS 64 -15.283 -5.278 -0.209 477 HG3 LYS 64 HG3 LYS 64 -13.624 -5.803 -0.414 478 HD2 LYS 64 HD2 LYS 64 -13.151 -5.034 1.663 479 HD3 LYS 64 HD3 LYS 64 -13.474 -3.403 1.112 480 HE2 LYS 64 HE2 LYS 64 -16.044 -4.276 1.469 481 HE3 LYS 64 HE3 LYS 64 -15.233 -5.268 2.664 482 HZ1 LYS 64 HZ1 LYS 64 -14.143 -2.812 3.075 483 HZ2 LYS 64 HZ2 LYS 64 -15.680 -2.426 2.701 484 H CYS 65 H CYS 65 -13.354 -3.453 -4.297 485 HA CYS 65 HA CYS 65 -11.410 -1.477 -4.831 486 HB2 CYS 65 HB2 CYS 65 -13.860 -1.636 -6.503 487 HB3 CYS 65 HB3 CYS 65 -12.178 -1.497 -6.972 488 H GLY 66 H GLY 66 -11.972 0.832 -5.426 489 HA2 GLY 66 HA2 GLY 66 -13.229 2.745 -5.233 490 HA3 GLY 66 HA3 GLY 66 -14.453 1.877 -4.328 491 H GLU 67 H GLU 67 -12.569 0.628 -2.404 492 HA GLU 67 HA GLU 67 -12.496 2.782 -0.589 493 HB2 GLU 67 HB2 GLU 67 -12.614 0.023 -0.386 494 HB3 GLU 67 HB3 GLU 67 -10.965 0.339 0.117 495 HG2 GLU 67 HG2 GLU 67 -11.814 2.040 1.765 496 HG3 GLU 67 HG3 GLU 67 -13.457 1.670 1.283 497 HE2 GLU 67 HE2 GLU 67 -11.977 -0.440 4.110 498 H CYS 68 H CYS 68 -10.318 1.547 -2.991 499 HA CYS 68 HA CYS 68 -8.097 2.943 -1.687 500 HB2 CYS 68 HB2 CYS 68 -8.247 0.380 -3.068 501 HB3 CYS 68 HB3 CYS 68 -7.046 1.426 -3.799 502 H HIS 69 H HIS 69 -9.764 2.224 -4.831 503 HA HIS 69 HA HIS 69 -8.440 4.485 -6.046 504 HB2 HIS 69 HB2 HIS 69 -10.438 2.503 -7.172 505 HB3 HIS 69 HB3 HIS 69 -9.599 3.734 -8.094 506 HD1 HIS 69 HD1 HIS 69 -6.828 3.490 -8.007 507 HD2 HIS 69 HD2 HIS 69 -9.120 0.105 -7.064 508 HE1 HIS 69 HE1 HIS 69 -5.272 1.482 -8.249 509 H LYS 70 H LYS 70 -9.221 6.441 -5.364 510 HA LYS 70 HA LYS 70 -12.142 6.704 -5.258 511 HB2 LYS 70 HB2 LYS 70 -9.906 7.947 -3.694 512 HB3 LYS 70 HB3 LYS 70 -11.379 8.863 -3.934 513 HG2 LYS 70 HG2 LYS 70 -12.141 6.174 -3.231 514 HG3 LYS 70 HG3 LYS 70 -10.901 6.680 -2.101 515 HD2 LYS 70 HD2 LYS 70 -12.259 8.235 -1.106 516 HD3 LYS 70 HD3 LYS 70 -12.905 8.795 -2.636 517 HE2 LYS 70 HE2 LYS 70 -13.723 6.132 -1.393 518 HE3 LYS 70 HE3 LYS 70 -14.573 7.627 -1.057 519 HZ1 LYS 70 HZ1 LYS 70 -15.445 6.238 -2.980 520 HZ2 LYS 70 HZ2 LYS 70 -15.211 7.814 -3.318 521 H LYS 71 H LYS 71 -13.042 7.661 -6.994 522 HA LYS 71 HA LYS 71 -11.356 9.105 -8.818 523 HB2 LYS 71 HB2 LYS 71 -13.139 7.497 -9.525 524 HB3 LYS 71 HB3 LYS 71 -14.346 8.610 -8.914 525 HG2 LYS 71 HG2 LYS 71 -13.887 10.237 -10.563 526 HG3 LYS 71 HG3 LYS 71 -12.259 9.651 -10.840 527 HD2 LYS 71 HD2 LYS 71 -12.981 7.853 -12.187 528 HD3 LYS 71 HD3 LYS 71 -14.579 7.817 -11.469 529 HE2 LYS 71 HE2 LYS 71 -15.050 8.814 -13.535 530 HE3 LYS 71 HE3 LYS 71 -14.830 10.233 -12.531 531 HZ1 LYS 71 HZ1 LYS 71 -13.468 10.604 -14.393 532 HZ2 LYS 71 HZ2 LYS 71 -12.392 10.090 -13.284 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 5.564 12.788 6.102 2 HA ALA 1 HA ALA 1 3.474 14.477 5.041 3 HB1 ALA 1 HB1 ALA 1 3.869 13.989 2.744 4 HB2 ALA 1 HB2 ALA 1 5.444 14.501 3.395 5 HB3 ALA 1 HB3 ALA 1 5.108 12.773 3.134 6 H ASP 2 H ASP 2 4.896 11.193 4.387 7 HA ASP 2 HA ASP 2 4.144 9.198 4.868 8 HB2 ASP 2 HB2 ASP 2 1.528 10.024 6.063 9 HB3 ASP 2 HB3 ASP 2 2.664 8.809 6.613 10 HD2 ASP 2 HD2 ASP 2 1.449 11.081 8.213 11 H ASP 3 H ASP 3 1.435 11.535 4.184 12 HA ASP 3 HA ASP 3 -0.149 9.745 2.810 13 HB2 ASP 3 HB2 ASP 3 -0.120 12.607 1.913 14 HB3 ASP 3 HB3 ASP 3 -1.485 11.593 2.337 15 HD2 ASP 3 HD2 ASP 3 -1.650 12.431 5.542 16 H ILE 4 H ILE 4 0.233 8.779 0.810 17 HA ILE 4 HA ILE 4 1.810 10.307 -1.131 18 HB ILE 4 HB ILE 4 2.166 7.412 -0.359 19 HG12 ILE 4 HG12 ILE 4 3.990 9.826 -0.201 20 HG13 ILE 4 HG13 ILE 4 3.307 8.929 1.140 21 HG21 ILE 4 HG21 ILE 4 2.284 8.332 -2.927 22 HG22 ILE 4 HG22 ILE 4 3.966 8.554 -2.389 23 HG23 ILE 4 HG23 ILE 4 3.204 6.948 -2.290 24 HD11 ILE 4 HD11 ILE 4 4.873 7.347 -0.875 25 HD12 ILE 4 HD12 ILE 4 5.786 8.436 0.197 26 HD13 ILE 4 HD13 ILE 4 4.770 7.151 0.891 27 H VAL 5 H VAL 5 0.861 10.457 -3.108 28 HA VAL 5 HA VAL 5 -1.608 8.943 -3.451 29 HB VAL 5 HB VAL 5 -0.454 11.362 -4.850 30 HG11 VAL 5 HG11 VAL 5 -3.015 9.821 -5.346 31 HG12 VAL 5 HG12 VAL 5 -2.776 11.504 -5.876 32 HG13 VAL 5 HG13 VAL 5 -1.721 10.215 -6.503 33 HG21 VAL 5 HG21 VAL 5 -2.971 11.897 -3.665 34 HG22 VAL 5 HG22 VAL 5 -2.006 11.028 -2.447 35 HG23 VAL 5 HG23 VAL 5 -1.375 12.521 -3.183 36 H LEU 6 H LEU 6 -1.650 7.152 -4.702 37 HA LEU 6 HA LEU 6 0.646 6.720 -6.458 38 HB2 LEU 6 HB2 LEU 6 -1.415 4.804 -5.358 39 HB3 LEU 6 HB3 LEU 6 -0.108 4.365 -6.439 40 HG LEU 6 HG LEU 6 0.354 5.611 -3.720 41 HD11 LEU 6 HD11 LEU 6 1.080 2.932 -3.549 42 HD12 LEU 6 HD12 LEU 6 -0.338 3.707 -2.802 43 HD13 LEU 6 HD13 LEU 6 -0.491 2.909 -4.386 44 HD21 LEU 6 HD21 LEU 6 2.595 5.173 -3.996 45 HD22 LEU 6 HD22 LEU 6 2.314 3.881 -5.187 46 HD23 LEU 6 HD23 LEU 6 2.117 5.586 -5.660 47 H LYS 7 H LYS 7 0.191 7.845 -8.336 48 HA LYS 7 HA LYS 7 -2.256 8.264 -9.454 49 HB2 LYS 7 HB2 LYS 7 -1.066 8.686 -11.530 50 HB3 LYS 7 HB3 LYS 7 -0.181 9.351 -10.172 51 HG2 LYS 7 HG2 LYS 7 0.561 6.547 -10.800 52 HG3 LYS 7 HG3 LYS 7 0.880 7.661 -12.114 53 HD2 LYS 7 HD2 LYS 7 2.750 8.351 -11.040 54 HD3 LYS 7 HD3 LYS 7 1.748 9.007 -9.761 55 HE2 LYS 7 HE2 LYS 7 2.322 7.339 -8.319 56 HE3 LYS 7 HE3 LYS 7 1.988 6.093 -9.505 57 HZ1 LYS 7 HZ1 LYS 7 4.287 5.953 -9.164 58 HZ2 LYS 7 HZ2 LYS 7 4.219 6.836 -10.531 59 H ALA 8 H ALA 8 -3.709 7.139 -10.721 60 HA ALA 8 HA ALA 8 -2.932 4.536 -11.727 61 HB1 ALA 8 HB1 ALA 8 -4.953 4.990 -9.518 62 HB2 ALA 8 HB2 ALA 8 -5.078 3.593 -10.615 63 HB3 ALA 8 HB3 ALA 8 -3.632 3.799 -9.597 64 H LYS 9 H LYS 9 -4.114 3.966 -13.567 65 HA LYS 9 HA LYS 9 -5.640 6.110 -14.708 66 HB2 LYS 9 HB2 LYS 9 -5.478 4.922 -16.730 67 HB3 LYS 9 HB3 LYS 9 -3.946 4.659 -15.922 68 HG2 LYS 9 HG2 LYS 9 -4.283 2.423 -16.060 69 HG3 LYS 9 HG3 LYS 9 -5.664 2.583 -14.992 70 HD2 LYS 9 HD2 LYS 9 -6.542 3.475 -17.564 71 HD3 LYS 9 HD3 LYS 9 -5.622 2.011 -17.846 72 HE2 LYS 9 HE2 LYS 9 -7.442 1.816 -15.510 73 HE3 LYS 9 HE3 LYS 9 -8.283 2.111 -17.019 74 HZ1 LYS 9 HZ1 LYS 9 -6.493 -0.157 -16.385 75 HZ2 LYS 9 HZ2 LYS 9 -8.040 -0.217 -16.888 76 H ASN 10 H ASN 10 -6.401 3.972 -12.354 77 HA ASN 10 HA ASN 10 -9.130 3.774 -13.354 78 HB2 ASN 10 HB2 ASN 10 -7.501 1.581 -12.937 79 HB3 ASN 10 HB3 ASN 10 -8.227 1.735 -11.350 80 HD21 ASN 10 HD21 ASN 10 -9.835 0.390 -11.139 81 HD22 ASN 10 HD22 ASN 10 -11.077 0.042 -12.294 82 H GLY 11 H GLY 11 -7.702 5.821 -11.672 83 HA2 GLY 11 HA2 GLY 11 -8.774 7.072 -9.980 84 HA3 GLY 11 HA3 GLY 11 -9.370 5.591 -9.257 85 H ASP 12 H ASP 12 -7.108 8.036 -8.912 86 HA ASP 12 HA ASP 12 -4.779 6.798 -8.271 87 HB2 ASP 12 HB2 ASP 12 -4.278 8.778 -6.928 88 HB3 ASP 12 HB3 ASP 12 -5.161 9.271 -8.359 89 HD2 ASP 12 HD2 ASP 12 -7.644 10.573 -7.191 90 H VAL 13 H VAL 13 -3.858 6.271 -6.062 91 HA VAL 13 HA VAL 13 -5.971 5.420 -4.204 92 HB VAL 13 HB VAL 13 -3.325 4.087 -4.817 93 HG11 VAL 13 HG11 VAL 13 -4.089 2.293 -3.346 94 HG12 VAL 13 HG12 VAL 13 -4.027 3.837 -2.462 95 HG13 VAL 13 HG13 VAL 13 -5.592 3.185 -3.006 96 HG21 VAL 13 HG21 VAL 13 -4.476 3.334 -6.611 97 HG22 VAL 13 HG22 VAL 13 -5.240 2.249 -5.425 98 HG23 VAL 13 HG23 VAL 13 -6.056 3.755 -5.909 99 H LYS 14 H LYS 14 -5.908 6.411 -2.256 100 HA LYS 14 HA LYS 14 -3.586 8.034 -1.660 101 HB2 LYS 14 HB2 LYS 14 -6.016 8.805 -1.484 102 HB3 LYS 14 HB3 LYS 14 -6.140 7.794 -0.058 103 HG2 LYS 14 HG2 LYS 14 -3.981 9.925 -0.401 104 HG3 LYS 14 HG3 LYS 14 -5.520 10.241 0.376 105 HD2 LYS 14 HD2 LYS 14 -4.983 8.243 1.935 106 HD3 LYS 14 HD3 LYS 14 -3.359 8.293 1.280 107 HE2 LYS 14 HE2 LYS 14 -2.840 9.940 2.749 108 HE3 LYS 14 HE3 LYS 14 -3.997 10.990 1.955 109 HZ1 LYS 14 HZ1 LYS 14 -4.234 10.135 4.502 110 HZ2 LYS 14 HZ2 LYS 14 -5.489 10.672 3.615 111 H PHE 15 H PHE 15 -1.870 7.023 -0.754 112 HA PHE 15 HA PHE 15 -2.472 4.926 1.205 113 HB2 PHE 15 HB2 PHE 15 -1.121 4.277 -0.804 114 HB3 PHE 15 HB3 PHE 15 -0.033 5.624 -0.536 115 HD1 PHE 15 HD1 PHE 15 -1.382 2.924 1.674 116 HD2 PHE 15 HD2 PHE 15 2.042 4.890 0.120 117 HE1 PHE 15 HE1 PHE 15 0.096 1.453 3.072 118 HE2 PHE 15 HE2 PHE 15 3.520 3.419 1.518 119 HZ PHE 15 HZ PHE 15 2.530 1.719 2.977 120 HA PRO 16 HA PRO 16 -0.784 7.816 4.135 121 HB2 PRO 16 HB2 PRO 16 -1.675 6.530 6.364 122 HB3 PRO 16 HB3 PRO 16 -2.800 7.356 5.238 123 HG2 PRO 16 HG2 PRO 16 -2.471 4.219 5.413 124 HG3 PRO 16 HG3 PRO 16 -3.626 5.571 5.174 125 HD2 PRO 16 HD2 PRO 16 -2.007 4.073 3.188 126 HD3 PRO 16 HD3 PRO 16 -3.331 5.243 2.902 127 H HIS 17 H HIS 17 1.508 7.503 3.838 128 HA HIS 17 HA HIS 17 2.644 5.022 4.717 129 HB2 HIS 17 HB2 HIS 17 3.487 6.247 2.744 130 HB3 HIS 17 HB3 HIS 17 3.954 7.587 3.771 131 HD1 HIS 17 HD1 HIS 17 5.884 7.034 5.610 132 HD2 HIS 17 HD2 HIS 17 5.361 4.229 2.534 133 HE1 HIS 17 HE1 HIS 17 7.991 5.595 5.589 134 H LYS 18 H LYS 18 1.225 5.973 6.846 135 HA LYS 18 HA LYS 18 3.386 6.731 8.656 136 HB2 LYS 18 HB2 LYS 18 2.544 8.838 8.594 137 HB3 LYS 18 HB3 LYS 18 0.963 8.325 8.041 138 HG2 LYS 18 HG2 LYS 18 0.324 7.596 10.278 139 HG3 LYS 18 HG3 LYS 18 1.960 7.792 10.874 140 HD2 LYS 18 HD2 LYS 18 1.845 10.176 10.780 141 HD3 LYS 18 HD3 LYS 18 0.473 10.160 9.690 142 HE2 LYS 18 HE2 LYS 18 -1.050 9.509 11.418 143 HE3 LYS 18 HE3 LYS 18 0.238 8.967 12.476 144 HZ1 LYS 18 HZ1 LYS 18 0.835 11.179 12.958 145 HZ2 LYS 18 HZ2 LYS 18 0.060 11.807 11.671 146 H ALA 19 H ALA 19 -0.199 6.118 8.742 147 HA ALA 19 HA ALA 19 -0.172 4.764 11.141 148 HB1 ALA 19 HB1 ALA 19 -2.209 5.604 10.130 149 HB2 ALA 19 HB2 ALA 19 -2.003 4.536 8.720 150 HB3 ALA 19 HB3 ALA 19 -2.365 3.841 10.318 151 H HIS 20 H HIS 20 0.927 3.779 7.958 152 HA HIS 20 HA HIS 20 0.724 0.983 8.513 153 HB2 HIS 20 HB2 HIS 20 1.885 2.654 6.296 154 HB3 HIS 20 HB3 HIS 20 2.258 0.945 6.398 155 HD1 HIS 20 HD1 HIS 20 -0.571 3.332 5.694 156 HD2 HIS 20 HD2 HIS 20 0.119 -0.805 5.786 157 HE1 HIS 20 HE1 HIS 20 -2.594 2.245 4.582 158 H GLN 21 H GLN 21 2.554 3.345 9.900 159 HA GLN 21 HA GLN 21 5.004 1.808 9.876 160 HB2 GLN 21 HB2 GLN 21 4.323 4.560 10.994 161 HB3 GLN 21 HB3 GLN 21 5.893 3.807 11.181 162 HG2 GLN 21 HG2 GLN 21 6.360 3.887 8.851 163 HG3 GLN 21 HG3 GLN 21 4.670 4.052 8.417 164 HE21 GLN 21 HE21 GLN 21 6.598 5.711 7.398 165 HE22 GLN 21 HE22 GLN 21 6.396 7.326 7.990 166 H LYS 22 H LYS 22 2.667 3.278 12.241 167 HA LYS 22 HA LYS 22 3.812 1.972 14.462 168 HB2 LYS 22 HB2 LYS 22 1.185 3.386 13.983 169 HB3 LYS 22 HB3 LYS 22 1.575 2.647 15.522 170 HG2 LYS 22 HG2 LYS 22 3.723 4.377 14.376 171 HG3 LYS 22 HG3 LYS 22 2.256 5.222 14.826 172 HD2 LYS 22 HD2 LYS 22 2.783 3.410 16.964 173 HD3 LYS 22 HD3 LYS 22 4.334 4.111 16.548 174 HE2 LYS 22 HE2 LYS 22 3.538 6.359 16.911 175 HE3 LYS 22 HE3 LYS 22 1.862 5.850 16.921 176 HZ1 LYS 22 HZ1 LYS 22 3.391 6.136 19.139 177 HZ2 LYS 22 HZ2 LYS 22 2.017 5.263 19.087 178 H ALA 23 H ALA 23 1.550 1.021 11.934 179 HA ALA 23 HA ALA 23 0.528 -1.204 13.451 180 HB1 ALA 23 HB1 ALA 23 -0.875 0.006 11.826 181 HB2 ALA 23 HB2 ALA 23 0.258 -0.416 10.520 182 HB3 ALA 23 HB3 ALA 23 -0.670 -1.694 11.341 183 H VAL 24 H VAL 24 3.154 -0.470 11.184 184 HA VAL 24 HA VAL 24 4.069 -3.221 11.521 185 HB VAL 24 HB VAL 24 3.924 -1.762 8.875 186 HG11 VAL 24 HG11 VAL 24 5.872 -3.468 9.527 187 HG12 VAL 24 HG12 VAL 24 4.624 -4.659 9.087 188 HG13 VAL 24 HG13 VAL 24 5.144 -3.435 7.903 189 HG21 VAL 24 HG21 VAL 24 2.280 -3.400 8.205 190 HG22 VAL 24 HG22 VAL 24 2.431 -4.253 9.760 191 HG23 VAL 24 HG23 VAL 24 1.729 -2.617 9.706 192 HA PRO 25 HA PRO 25 6.895 0.348 12.809 193 HB2 PRO 25 HB2 PRO 25 7.588 -2.119 14.469 194 HB3 PRO 25 HB3 PRO 25 7.658 -0.378 14.895 195 HG2 PRO 25 HG2 PRO 25 5.248 -1.755 15.675 196 HG3 PRO 25 HG3 PRO 25 5.615 -0.166 14.927 197 HD2 PRO 25 HD2 PRO 25 4.683 -2.778 13.601 198 HD3 PRO 25 HD3 PRO 25 3.954 -1.148 13.470 199 H ASP 26 H ASP 26 7.232 -3.054 11.699 200 HA ASP 26 HA ASP 26 10.019 -2.756 11.267 201 HB2 ASP 26 HB2 ASP 26 8.906 -4.957 11.717 202 HB3 ASP 26 HB3 ASP 26 8.030 -4.819 10.206 203 HD2 ASP 26 HD2 ASP 26 11.842 -4.546 10.050 204 H CYS 27 H CYS 27 10.810 -1.530 9.551 205 HA CYS 27 HA CYS 27 9.056 -0.903 7.367 206 HB2 CYS 27 HB2 CYS 27 11.944 -0.116 7.453 207 HB3 CYS 27 HB3 CYS 27 10.575 0.737 6.768 208 H LYS 28 H LYS 28 11.302 -3.364 8.244 209 HA LYS 28 HA LYS 28 12.307 -3.858 5.609 210 HB2 LYS 28 HB2 LYS 28 12.494 -5.301 8.256 211 HB3 LYS 28 HB3 LYS 28 13.123 -5.998 6.777 212 HG2 LYS 28 HG2 LYS 28 14.006 -3.253 6.895 213 HG3 LYS 28 HG3 LYS 28 14.324 -3.980 8.457 214 HD2 LYS 28 HD2 LYS 28 15.074 -5.446 5.904 215 HD3 LYS 28 HD3 LYS 28 16.127 -4.204 6.553 216 HE2 LYS 28 HE2 LYS 28 16.738 -5.477 8.390 217 HE3 LYS 28 HE3 LYS 28 15.160 -6.225 8.537 218 HZ1 LYS 28 HZ1 LYS 28 16.280 -7.985 7.653 219 HZ2 LYS 28 HZ2 LYS 28 15.982 -7.271 6.220 220 H LYS 29 H LYS 29 9.276 -4.160 6.988 221 HA LYS 29 HA LYS 29 8.564 -6.751 6.116 222 HB2 LYS 29 HB2 LYS 29 7.237 -4.388 7.285 223 HB3 LYS 29 HB3 LYS 29 6.212 -5.347 6.236 224 HG2 LYS 29 HG2 LYS 29 7.926 -6.629 8.403 225 HG3 LYS 29 HG3 LYS 29 6.319 -6.019 8.743 226 HD2 LYS 29 HD2 LYS 29 6.161 -7.608 6.339 227 HD3 LYS 29 HD3 LYS 29 7.059 -8.531 7.528 228 HE2 LYS 29 HE2 LYS 29 5.127 -7.799 9.186 229 HE3 LYS 29 HE3 LYS 29 4.228 -7.455 7.721 230 HZ1 LYS 29 HZ1 LYS 29 4.550 -9.746 7.018 231 HZ2 LYS 29 HZ2 LYS 29 5.491 -10.081 8.304 232 H CYS 30 H CYS 30 8.221 -3.437 4.701 233 HA CYS 30 HA CYS 30 7.364 -4.706 2.222 234 HB2 CYS 30 HB2 CYS 30 7.395 -1.736 2.799 235 HB3 CYS 30 HB3 CYS 30 6.518 -2.586 1.542 236 H HIS 31 H HIS 31 9.648 -2.181 3.515 237 HA HIS 31 HA HIS 31 11.121 -2.069 1.110 238 HB2 HIS 31 HB2 HIS 31 11.795 -1.138 3.914 239 HB3 HIS 31 HB3 HIS 31 12.727 -0.750 2.482 240 HD1 HIS 31 HD1 HIS 31 11.055 0.417 0.474 241 HD2 HIS 31 HD2 HIS 31 10.004 0.821 4.515 242 HE1 HIS 31 HE1 HIS 31 9.465 2.409 0.604 243 H GLU 32 H GLU 32 12.307 -3.735 0.325 244 HA GLU 32 HA GLU 32 13.410 -5.595 2.237 245 HB2 GLU 32 HB2 GLU 32 12.217 -5.923 -0.250 246 HB3 GLU 32 HB3 GLU 32 13.918 -6.079 -0.642 247 HG2 GLU 32 HG2 GLU 32 13.047 -7.541 1.814 248 HG3 GLU 32 HG3 GLU 32 12.360 -8.135 0.315 249 HE2 GLU 32 HE2 GLU 32 13.858 -9.937 1.057 250 H LYS 33 H LYS 33 14.446 -3.456 -0.498 251 HA LYS 33 HA LYS 33 17.221 -3.919 0.236 252 HB2 LYS 33 HB2 LYS 33 15.962 -2.429 -2.086 253 HB3 LYS 33 HB3 LYS 33 17.686 -2.608 -1.831 254 HG2 LYS 33 HG2 LYS 33 16.764 -5.235 -1.586 255 HG3 LYS 33 HG3 LYS 33 15.717 -4.582 -2.830 256 HD2 LYS 33 HD2 LYS 33 17.388 -4.735 -4.351 257 HD3 LYS 33 HD3 LYS 33 18.385 -3.661 -3.392 258 HE2 LYS 33 HE2 LYS 33 18.157 -6.537 -2.505 259 HE3 LYS 33 HE3 LYS 33 19.139 -6.190 -3.915 260 HZ1 LYS 33 HZ1 LYS 33 20.699 -5.783 -2.326 261 HZ2 LYS 33 HZ2 LYS 33 20.015 -4.309 -2.230 262 H GLY 34 H GLY 34 15.268 -2.505 2.032 263 HA2 GLY 34 HA2 GLY 34 15.788 -0.865 3.580 264 HA3 GLY 34 HA3 GLY 34 16.916 -0.131 2.457 265 HA PRO 35 HA PRO 35 12.769 2.189 2.754 266 HB2 PRO 35 HB2 PRO 35 13.986 4.596 3.419 267 HB3 PRO 35 HB3 PRO 35 13.437 3.380 4.618 268 HG2 PRO 35 HG2 PRO 35 15.994 3.728 3.412 269 HG3 PRO 35 HG3 PRO 35 15.968 3.550 5.197 270 HD2 PRO 35 HD2 PRO 35 16.578 1.385 3.918 271 HD3 PRO 35 HD3 PRO 35 15.102 1.229 4.917 272 H GLY 36 H GLY 36 12.000 3.452 0.983 273 HA2 GLY 36 HA2 GLY 36 12.911 5.207 -0.629 274 HA3 GLY 36 HA3 GLY 36 14.025 3.941 -1.105 275 H LYS 37 H LYS 37 12.966 4.278 -3.283 276 HA LYS 37 HA LYS 37 10.249 3.527 -3.596 277 HB2 LYS 37 HB2 LYS 37 12.545 4.199 -5.396 278 HB3 LYS 37 HB3 LYS 37 11.174 3.351 -6.084 279 HG2 LYS 37 HG2 LYS 37 10.160 5.378 -6.263 280 HG3 LYS 37 HG3 LYS 37 9.950 5.324 -4.524 281 HD2 LYS 37 HD2 LYS 37 11.298 7.134 -4.335 282 HD3 LYS 37 HD3 LYS 37 12.637 6.170 -4.926 283 HE2 LYS 37 HE2 LYS 37 12.573 7.126 -7.010 284 HE3 LYS 37 HE3 LYS 37 10.823 7.072 -7.089 285 HZ1 LYS 37 HZ1 LYS 37 12.524 9.215 -6.125 286 HZ2 LYS 37 HZ2 LYS 37 11.049 9.304 -6.809 287 H ILE 38 H ILE 38 9.420 1.599 -4.649 288 HA ILE 38 HA ILE 38 11.165 -0.703 -4.126 289 HB ILE 38 HB ILE 38 8.151 -0.496 -4.148 290 HG12 ILE 38 HG12 ILE 38 10.009 -0.984 -1.806 291 HG13 ILE 38 HG13 ILE 38 9.358 0.590 -2.217 292 HG21 ILE 38 HG21 ILE 38 9.327 -2.897 -2.980 293 HG22 ILE 38 HG22 ILE 38 7.997 -2.718 -4.150 294 HG23 ILE 38 HG23 ILE 38 9.684 -2.730 -4.716 295 HD11 ILE 38 HD11 ILE 38 7.862 -0.308 -0.578 296 HD12 ILE 38 HD12 ILE 38 7.019 -0.503 -2.133 297 HD13 ILE 38 HD13 ILE 38 7.823 -1.899 -1.375 298 H GLU 39 H GLU 39 11.989 -1.701 -5.877 299 HA GLU 39 HA GLU 39 10.935 -0.998 -8.435 300 HB2 GLU 39 HB2 GLU 39 13.347 -2.454 -7.395 301 HB3 GLU 39 HB3 GLU 39 12.841 -2.821 -9.031 302 HG2 GLU 39 HG2 GLU 39 13.809 -0.908 -9.758 303 HG3 GLU 39 HG3 GLU 39 12.701 0.025 -8.772 304 HE2 GLU 39 HE2 GLU 39 16.390 -0.800 -7.430 305 H GLY 40 H GLY 40 9.722 -2.295 -9.825 306 HA2 GLY 40 HA2 GLY 40 8.981 -4.391 -10.598 307 HA3 GLY 40 HA3 GLY 40 9.233 -5.077 -9.005 308 H PHE 41 H PHE 41 8.002 -2.888 -7.473 309 HA PHE 41 HA PHE 41 5.518 -3.738 -7.091 310 HB2 PHE 41 HB2 PHE 41 6.773 -1.887 -5.886 311 HB3 PHE 41 HB3 PHE 41 6.496 -0.822 -7.250 312 HD1 PHE 41 HD1 PHE 41 4.921 -2.504 -4.394 313 HD2 PHE 41 HD2 PHE 41 4.350 0.221 -7.597 314 HE1 PHE 41 HE1 PHE 41 2.764 -1.743 -3.362 315 HE2 PHE 41 HE2 PHE 41 2.193 0.982 -6.564 316 HZ PHE 41 HZ PHE 41 1.425 -0.009 -4.459 317 H GLY 42 H GLY 42 3.331 -2.839 -7.642 318 HA2 GLY 42 HA2 GLY 42 2.694 -1.164 -9.688 319 HA3 GLY 42 HA3 GLY 42 3.045 -2.678 -10.499 320 H LYS 43 H LYS 43 0.791 -2.858 -11.144 321 HA LYS 43 HA LYS 43 -1.319 -2.797 -9.325 322 HB2 LYS 43 HB2 LYS 43 -1.349 -2.662 -11.883 323 HB3 LYS 43 HB3 LYS 43 -1.253 -4.411 -11.880 324 HG2 LYS 43 HG2 LYS 43 -3.271 -3.959 -10.024 325 HG3 LYS 43 HG3 LYS 43 -3.528 -2.643 -11.153 326 HD2 LYS 43 HD2 LYS 43 -3.016 -4.945 -12.759 327 HD3 LYS 43 HD3 LYS 43 -4.097 -5.485 -11.490 328 HE2 LYS 43 HE2 LYS 43 -5.741 -3.773 -12.043 329 HE3 LYS 43 HE3 LYS 43 -4.623 -2.960 -13.120 330 HZ1 LYS 43 HZ1 LYS 43 -5.137 -5.756 -13.741 331 HZ2 LYS 43 HZ2 LYS 43 -6.399 -4.753 -13.972 332 H GLU 44 H GLU 44 -0.248 -5.813 -11.014 333 HA GLU 44 HA GLU 44 -1.343 -7.615 -9.474 334 HB2 GLU 44 HB2 GLU 44 1.421 -7.569 -10.710 335 HB3 GLU 44 HB3 GLU 44 0.892 -8.981 -9.815 336 HG2 GLU 44 HG2 GLU 44 0.412 -8.673 -12.465 337 HG3 GLU 44 HG3 GLU 44 -0.647 -9.597 -11.418 338 HE2 GLU 44 HE2 GLU 44 -2.690 -8.887 -11.348 339 H MET 45 H MET 45 1.488 -5.627 -8.556 340 HA MET 45 HA MET 45 2.074 -7.102 -6.241 341 HB2 MET 45 HB2 MET 45 3.349 -5.167 -7.692 342 HB3 MET 45 HB3 MET 45 2.690 -4.149 -6.427 343 HG2 MET 45 HG2 MET 45 4.739 -4.760 -5.469 344 HG3 MET 45 HG3 MET 45 3.688 -5.988 -4.791 345 HE1 MET 45 HE1 MET 45 6.810 -8.055 -5.339 346 HE2 MET 45 HE2 MET 45 7.187 -6.324 -5.516 347 HE3 MET 45 HE3 MET 45 6.001 -6.857 -4.300 348 H ALA 46 H ALA 46 0.483 -3.860 -6.719 349 HA ALA 46 HA ALA 46 -0.173 -3.383 -4.103 350 HB1 ALA 46 HB1 ALA 46 -0.908 -1.541 -5.157 351 HB2 ALA 46 HB2 ALA 46 -0.829 -2.381 -6.725 352 HB3 ALA 46 HB3 ALA 46 -2.313 -2.461 -5.746 353 H HIS 47 H HIS 47 -2.142 -5.099 -6.629 354 HA HIS 47 HA HIS 47 -4.170 -5.753 -4.772 355 HB2 HIS 47 HB2 HIS 47 -3.564 -6.960 -7.485 356 HB3 HIS 47 HB3 HIS 47 -5.060 -7.136 -6.589 357 HD1 HIS 47 HD1 HIS 47 -4.689 -5.764 -9.482 358 HD2 HIS 47 HD2 HIS 47 -5.206 -3.791 -5.817 359 HE1 HIS 47 HE1 HIS 47 -5.629 -3.458 -10.038 360 H GLY 48 H GLY 48 -1.160 -7.289 -5.916 361 HA2 GLY 48 HA2 GLY 48 -1.737 -9.857 -4.785 362 HA3 GLY 48 HA3 GLY 48 -0.206 -9.280 -5.412 363 H LYS 49 H LYS 49 1.242 -9.751 -3.776 364 HA LYS 49 HA LYS 49 0.486 -9.220 -1.042 365 HB2 LYS 49 HB2 LYS 49 2.503 -10.350 -0.456 366 HB3 LYS 49 HB3 LYS 49 1.737 -11.266 -1.738 367 HG2 LYS 49 HG2 LYS 49 3.396 -10.783 -3.275 368 HG3 LYS 49 HG3 LYS 49 3.650 -9.163 -2.658 369 HD2 LYS 49 HD2 LYS 49 5.377 -9.842 -1.346 370 HD3 LYS 49 HD3 LYS 49 4.418 -11.127 -0.638 371 HE2 LYS 49 HE2 LYS 49 6.075 -12.374 -1.722 372 HE3 LYS 49 HE3 LYS 49 4.830 -12.354 -2.954 373 HZ1 LYS 49 HZ1 LYS 49 6.325 -10.043 -3.331 374 HZ2 LYS 49 HZ2 LYS 49 7.421 -11.222 -3.085 375 H GLY 50 H GLY 50 0.343 -6.879 -2.577 376 HA2 GLY 50 HA2 GLY 50 2.784 -5.419 -1.767 377 HA3 GLY 50 HA3 GLY 50 1.748 -4.990 -3.114 378 H CYS 51 H CYS 51 -0.816 -5.062 -2.188 379 HA CYS 51 HA CYS 51 -0.738 -3.314 0.163 380 HB2 CYS 51 HB2 CYS 51 -2.490 -3.037 -2.288 381 HB3 CYS 51 HB3 CYS 51 -2.665 -2.099 -0.818 382 H LYS 52 H LYS 52 -3.501 -4.543 -1.805 383 HA LYS 52 HA LYS 52 -5.082 -5.288 0.261 384 HB2 LYS 52 HB2 LYS 52 -4.832 -6.330 -2.559 385 HB3 LYS 52 HB3 LYS 52 -6.039 -6.970 -1.462 386 HG2 LYS 52 HG2 LYS 52 -6.408 -4.275 -1.066 387 HG3 LYS 52 HG3 LYS 52 -5.871 -4.270 -2.734 388 HD2 LYS 52 HD2 LYS 52 -7.997 -6.250 -1.880 389 HD3 LYS 52 HD3 LYS 52 -8.450 -4.578 -2.150 390 HE2 LYS 52 HE2 LYS 52 -8.765 -5.467 -4.293 391 HE3 LYS 52 HE3 LYS 52 -7.127 -4.859 -4.431 392 HZ1 LYS 52 HZ1 LYS 52 -7.315 -7.165 -5.219 393 HZ2 LYS 52 HZ2 LYS 52 -6.302 -7.094 -3.945 394 H GLY 53 H GLY 53 -2.656 -7.366 -1.456 395 HA2 GLY 53 HA2 GLY 53 -2.883 -9.772 -0.448 396 HA3 GLY 53 HA3 GLY 53 -1.327 -8.966 -0.483 397 H CYS 54 H CYS 54 -1.059 -7.276 1.478 398 HA CYS 54 HA CYS 54 -0.972 -8.806 3.779 399 HB2 CYS 54 HB2 CYS 54 0.483 -6.856 3.336 400 HB3 CYS 54 HB3 CYS 54 -0.887 -5.780 3.530 401 H HIS 55 H HIS 55 -3.240 -6.173 2.720 402 HA HIS 55 HA HIS 55 -4.793 -5.977 4.922 403 HB2 HIS 55 HB2 HIS 55 -5.541 -5.858 1.994 404 HB3 HIS 55 HB3 HIS 55 -6.661 -5.442 3.276 405 HD1 HIS 55 HD1 HIS 55 -6.287 -3.124 1.614 406 HD2 HIS 55 HD2 HIS 55 -3.415 -4.084 4.516 407 HE1 HIS 55 HE1 HIS 55 -4.984 -0.978 2.068 408 H GLU 56 H GLU 56 -5.774 -8.032 2.087 409 HA GLU 56 HA GLU 56 -7.699 -9.401 3.448 410 HB2 GLU 56 HB2 GLU 56 -7.052 -11.251 1.619 411 HB3 GLU 56 HB3 GLU 56 -7.851 -9.756 1.174 412 HG2 GLU 56 HG2 GLU 56 -5.985 -8.908 0.120 413 HG3 GLU 56 HG3 GLU 56 -4.880 -9.568 1.309 414 HE2 GLU 56 HE2 GLU 56 -4.207 -11.650 1.011 415 H GLU 57 H GLU 57 -4.231 -9.630 3.705 416 HA GLU 57 HA GLU 57 -3.980 -12.288 4.413 417 HB2 GLU 57 HB2 GLU 57 -2.264 -10.175 4.066 418 HB3 GLU 57 HB3 GLU 57 -2.214 -10.333 5.811 419 HG2 GLU 57 HG2 GLU 57 -0.468 -11.729 4.690 420 HG3 GLU 57 HG3 GLU 57 -1.576 -12.697 5.643 421 HE2 GLU 57 HE2 GLU 57 -2.986 -14.019 4.508 422 H MET 58 H MET 58 -4.443 -9.332 6.474 423 HA MET 58 HA MET 58 -5.010 -11.122 8.691 424 HB2 MET 58 HB2 MET 58 -4.532 -8.090 8.587 425 HB3 MET 58 HB3 MET 58 -4.754 -9.010 10.062 426 HG2 MET 58 HG2 MET 58 -2.676 -10.254 8.430 427 HG3 MET 58 HG3 MET 58 -2.312 -8.555 8.658 428 HE1 MET 58 HE1 MET 58 -2.340 -7.905 12.268 429 HE2 MET 58 HE2 MET 58 -0.853 -7.966 11.292 430 HE3 MET 58 HE3 MET 58 -2.363 -7.353 10.576 431 H LYS 59 H LYS 59 -6.710 -9.870 6.206 432 HA LYS 59 HA LYS 59 -8.856 -9.485 5.853 433 HB2 LYS 59 HB2 LYS 59 -8.947 -10.710 8.573 434 HB3 LYS 59 HB3 LYS 59 -10.388 -9.881 8.019 435 HG2 LYS 59 HG2 LYS 59 -10.769 -12.019 7.158 436 HG3 LYS 59 HG3 LYS 59 -9.999 -11.254 5.782 437 HD2 LYS 59 HD2 LYS 59 -8.338 -12.793 5.840 438 HD3 LYS 59 HD3 LYS 59 -7.894 -12.269 7.452 439 HE2 LYS 59 HE2 LYS 59 -9.618 -13.797 8.429 440 HE3 LYS 59 HE3 LYS 59 -10.077 -14.314 6.819 441 HZ1 LYS 59 HZ1 LYS 59 -8.526 -15.907 7.548 442 HZ2 LYS 59 HZ2 LYS 59 -7.621 -14.961 6.579 443 H LYS 60 H LYS 60 -6.807 -7.606 7.487 444 HA LYS 60 HA LYS 60 -8.829 -5.615 8.218 445 HB2 LYS 60 HB2 LYS 60 -5.890 -5.688 8.955 446 HB3 LYS 60 HB3 LYS 60 -7.096 -4.570 9.557 447 HG2 LYS 60 HG2 LYS 60 -7.981 -7.342 9.918 448 HG3 LYS 60 HG3 LYS 60 -6.411 -7.092 10.656 449 HD2 LYS 60 HD2 LYS 60 -7.333 -5.056 11.839 450 HD3 LYS 60 HD3 LYS 60 -8.910 -5.407 11.159 451 HE2 LYS 60 HE2 LYS 60 -8.370 -7.847 12.244 452 HE3 LYS 60 HE3 LYS 60 -7.406 -6.854 13.319 453 HZ1 LYS 60 HZ1 LYS 60 -10.196 -6.086 12.743 454 HZ2 LYS 60 HZ2 LYS 60 -9.887 -7.216 13.874 455 H GLY 61 H GLY 61 -8.684 -3.465 7.386 456 HA2 GLY 61 HA2 GLY 61 -7.805 -1.818 6.017 457 HA3 GLY 61 HA3 GLY 61 -6.721 -2.980 5.277 458 HA PRO 62 HA PRO 62 -10.677 -2.125 2.729 459 HB2 PRO 62 HB2 PRO 62 -9.477 -0.576 0.775 460 HB3 PRO 62 HB3 PRO 62 -10.191 0.095 2.278 461 HG2 PRO 62 HG2 PRO 62 -7.452 -0.643 1.640 462 HG3 PRO 62 HG3 PRO 62 -7.870 0.930 2.393 463 HD2 PRO 62 HD2 PRO 62 -6.934 -1.036 3.944 464 HD3 PRO 62 HD3 PRO 62 -8.398 -0.162 4.488 465 H THR 63 H THR 63 -11.054 -3.939 1.459 466 HA THR 63 HA THR 63 -8.794 -4.844 -0.201 467 HB THR 63 HB THR 63 -9.535 -7.156 0.304 468 HG1 THR 63 HG1 THR 63 -11.393 -5.757 2.089 469 HG21 THR 63 HG21 THR 63 -8.049 -6.669 2.057 470 HG22 THR 63 HG22 THR 63 -9.001 -5.268 2.604 471 HG23 THR 63 HG23 THR 63 -9.546 -6.919 2.987 472 H LYS 64 H LYS 64 -11.904 -3.513 -0.111 473 HA LYS 64 HA LYS 64 -12.681 -4.836 -2.595 474 HB2 LYS 64 HB2 LYS 64 -14.278 -2.909 -0.886 475 HB3 LYS 64 HB3 LYS 64 -14.871 -3.891 -2.209 476 HG2 LYS 64 HG2 LYS 64 -13.500 -5.613 -0.319 477 HG3 LYS 64 HG3 LYS 64 -14.641 -4.614 0.559 478 HD2 LYS 64 HD2 LYS 64 -16.482 -5.589 -0.435 479 HD3 LYS 64 HD3 LYS 64 -15.691 -5.756 -1.990 480 HE2 LYS 64 HE2 LYS 64 -14.315 -7.473 -0.120 481 HE3 LYS 64 HE3 LYS 64 -16.034 -7.756 0.065 482 HZ1 LYS 64 HZ1 LYS 64 -16.205 -8.527 -2.085 483 HZ2 LYS 64 HZ2 LYS 64 -14.993 -7.610 -2.670 484 H CYS 65 H CYS 65 -13.399 -3.491 -4.438 485 HA CYS 65 HA CYS 65 -11.470 -1.512 -4.978 486 HB2 CYS 65 HB2 CYS 65 -13.922 -1.694 -6.650 487 HB3 CYS 65 HB3 CYS 65 -12.241 -1.539 -7.122 488 H GLY 66 H GLY 66 -12.001 0.795 -5.562 489 HA2 GLY 66 HA2 GLY 66 -13.254 2.716 -5.396 490 HA3 GLY 66 HA3 GLY 66 -14.492 1.858 -4.501 491 H GLU 67 H GLU 67 -12.627 0.604 -2.557 492 HA GLU 67 HA GLU 67 -12.566 2.760 -0.745 493 HB2 GLU 67 HB2 GLU 67 -12.693 0.003 -0.537 494 HB3 GLU 67 HB3 GLU 67 -11.047 0.314 -0.023 495 HG2 GLU 67 HG2 GLU 67 -11.903 2.025 1.615 496 HG3 GLU 67 HG3 GLU 67 -13.544 1.651 1.124 497 HE2 GLU 67 HE2 GLU 67 -11.570 1.003 3.514 498 H CYS 68 H CYS 68 -10.368 1.516 -3.124 499 HA CYS 68 HA CYS 68 -8.157 2.912 -1.803 500 HB2 CYS 68 HB2 CYS 68 -8.298 0.344 -3.170 501 HB3 CYS 68 HB3 CYS 68 -7.095 1.385 -3.905 502 H HIS 69 H HIS 69 -9.797 2.188 -4.960 503 HA HIS 69 HA HIS 69 -8.456 4.439 -6.172 504 HB2 HIS 69 HB2 HIS 69 -10.456 2.462 -7.303 505 HB3 HIS 69 HB3 HIS 69 -9.608 3.687 -8.225 506 HD1 HIS 69 HD1 HIS 69 -6.842 3.434 -8.137 507 HD2 HIS 69 HD2 HIS 69 -9.142 0.062 -7.168 508 HE1 HIS 69 HE1 HIS 69 -5.290 1.421 -8.362 509 H LYS 70 H LYS 70 -9.227 6.419 -5.586 510 HA LYS 70 HA LYS 70 -12.152 6.709 -5.574 511 HB2 LYS 70 HB2 LYS 70 -10.040 8.026 -3.853 512 HB3 LYS 70 HB3 LYS 70 -11.665 8.662 -4.006 513 HG2 LYS 70 HG2 LYS 70 -11.902 5.834 -3.525 514 HG3 LYS 70 HG3 LYS 70 -10.741 6.460 -2.372 515 HD2 LYS 70 HD2 LYS 70 -12.573 8.406 -2.095 516 HD3 LYS 70 HD3 LYS 70 -13.655 7.172 -2.709 517 HE2 LYS 70 HE2 LYS 70 -13.721 6.193 -0.665 518 HE3 LYS 70 HE3 LYS 70 -11.992 5.917 -0.726 519 HZ1 LYS 70 HZ1 LYS 70 -12.117 7.320 1.071 520 HZ2 LYS 70 HZ2 LYS 70 -11.972 8.470 -0.072 521 H LYS 71 H LYS 71 -12.892 7.787 -7.314 522 HA LYS 71 HA LYS 71 -11.358 8.908 -9.248 523 HB2 LYS 71 HB2 LYS 71 -13.677 8.399 -9.601 524 HB3 LYS 71 HB3 LYS 71 -14.187 9.551 -8.384 525 HG2 LYS 71 HG2 LYS 71 -14.511 10.639 -10.505 526 HG3 LYS 71 HG3 LYS 71 -13.101 11.391 -9.786 527 HD2 LYS 71 HD2 LYS 71 -12.007 10.908 -11.719 528 HD3 LYS 71 HD3 LYS 71 -11.992 9.240 -11.185 529 HE2 LYS 71 HE2 LYS 71 -14.320 10.449 -12.745 530 HE3 LYS 71 HE3 LYS 71 -12.965 9.660 -13.528 531 HZ1 LYS 71 HZ1 LYS 71 -15.150 8.357 -12.660 532 HZ2 LYS 71 HZ2 LYS 71 -13.709 7.630 -12.875 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 6.217 13.360 2.109 2 HA ALA 1 HA ALA 1 6.784 12.771 4.184 3 HB1 ALA 1 HB1 ALA 1 5.130 13.199 6.086 4 HB2 ALA 1 HB2 ALA 1 5.664 14.634 5.178 5 HB3 ALA 1 HB3 ALA 1 4.060 13.928 4.865 6 H ASP 2 H ASP 2 3.520 12.000 5.193 7 HA ASP 2 HA ASP 2 4.179 9.215 4.799 8 HB2 ASP 2 HB2 ASP 2 1.614 9.821 6.122 9 HB3 ASP 2 HB3 ASP 2 2.944 8.830 6.685 10 HD2 ASP 2 HD2 ASP 2 2.089 12.122 8.315 11 H ASP 3 H ASP 3 1.767 11.766 4.005 12 HA ASP 3 HA ASP 3 -0.067 10.033 2.796 13 HB2 ASP 3 HB2 ASP 3 0.090 12.827 1.773 14 HB3 ASP 3 HB3 ASP 3 -1.289 11.954 2.411 15 HD2 ASP 3 HD2 ASP 3 -1.972 13.348 4.032 16 H ILE 4 H ILE 4 0.266 8.955 0.847 17 HA ILE 4 HA ILE 4 1.854 10.345 -1.188 18 HB ILE 4 HB ILE 4 2.076 7.445 -0.376 19 HG12 ILE 4 HG12 ILE 4 3.929 9.818 -0.103 20 HG13 ILE 4 HG13 ILE 4 3.296 8.786 1.164 21 HG21 ILE 4 HG21 ILE 4 2.216 8.253 -2.927 22 HG22 ILE 4 HG22 ILE 4 3.885 8.616 -2.423 23 HG23 ILE 4 HG23 ILE 4 3.244 6.964 -2.256 24 HD11 ILE 4 HD11 ILE 4 5.705 8.305 0.493 25 HD12 ILE 4 HD12 ILE 4 4.618 6.897 0.421 26 HD13 ILE 4 HD13 ILE 4 5.081 7.742 -1.076 27 H VAL 5 H VAL 5 0.838 10.504 -3.126 28 HA VAL 5 HA VAL 5 -1.660 9.006 -3.387 29 HB VAL 5 HB VAL 5 -0.600 11.471 -4.780 30 HG11 VAL 5 HG11 VAL 5 -2.291 11.401 -6.264 31 HG12 VAL 5 HG12 VAL 5 -2.374 9.670 -5.858 32 HG13 VAL 5 HG13 VAL 5 -3.461 10.827 -5.052 33 HG21 VAL 5 HG21 VAL 5 -3.037 11.973 -3.430 34 HG22 VAL 5 HG22 VAL 5 -2.002 11.076 -2.293 35 HG23 VAL 5 HG23 VAL 5 -1.414 12.586 -3.029 36 H LEU 6 H LEU 6 -1.722 7.247 -4.682 37 HA LEU 6 HA LEU 6 0.498 6.914 -6.555 38 HB2 LEU 6 HB2 LEU 6 -1.462 4.913 -5.421 39 HB3 LEU 6 HB3 LEU 6 -0.179 4.543 -6.555 40 HG LEU 6 HG LEU 6 0.379 5.768 -3.850 41 HD11 LEU 6 HD11 LEU 6 0.524 3.705 -2.816 42 HD12 LEU 6 HD12 LEU 6 -0.922 3.514 -3.838 43 HD13 LEU 6 HD13 LEU 6 0.632 2.818 -4.356 44 HD21 LEU 6 HD21 LEU 6 2.169 5.951 -5.500 45 HD22 LEU 6 HD22 LEU 6 2.618 4.836 -4.188 46 HD23 LEU 6 HD23 LEU 6 2.117 4.193 -5.770 47 H LYS 7 H LYS 7 -0.015 7.952 -8.442 48 HA LYS 7 HA LYS 7 -2.571 8.340 -9.405 49 HB2 LYS 7 HB2 LYS 7 0.098 8.200 -10.830 50 HB3 LYS 7 HB3 LYS 7 -1.387 8.707 -11.607 51 HG2 LYS 7 HG2 LYS 7 -1.308 10.766 -10.640 52 HG3 LYS 7 HG3 LYS 7 -1.029 10.092 -9.047 53 HD2 LYS 7 HD2 LYS 7 1.196 10.207 -11.121 54 HD3 LYS 7 HD3 LYS 7 0.844 11.580 -10.091 55 HE2 LYS 7 HE2 LYS 7 0.943 9.633 -8.184 56 HE3 LYS 7 HE3 LYS 7 2.016 8.913 -9.368 57 HZ1 LYS 7 HZ1 LYS 7 2.487 11.732 -8.847 58 HZ2 LYS 7 HZ2 LYS 7 2.817 10.745 -7.595 59 H ALA 8 H ALA 8 -4.013 7.162 -10.624 60 HA ALA 8 HA ALA 8 -3.100 4.619 -11.707 61 HB1 ALA 8 HB1 ALA 8 -4.341 3.297 -10.338 62 HB2 ALA 8 HB2 ALA 8 -4.252 4.677 -9.216 63 HB3 ALA 8 HB3 ALA 8 -5.680 4.468 -10.259 64 H LYS 9 H LYS 9 -4.362 3.908 -13.494 65 HA LYS 9 HA LYS 9 -5.835 6.050 -14.729 66 HB2 LYS 9 HB2 LYS 9 -5.724 4.738 -16.712 67 HB3 LYS 9 HB3 LYS 9 -4.158 4.636 -15.933 68 HG2 LYS 9 HG2 LYS 9 -4.326 2.380 -15.801 69 HG3 LYS 9 HG3 LYS 9 -5.810 2.514 -14.878 70 HD2 LYS 9 HD2 LYS 9 -6.661 1.407 -16.724 71 HD3 LYS 9 HD3 LYS 9 -6.858 3.050 -17.300 72 HE2 LYS 9 HE2 LYS 9 -5.661 2.322 -19.114 73 HE3 LYS 9 HE3 LYS 9 -4.266 2.577 -18.085 74 HZ1 LYS 9 HZ1 LYS 9 -3.933 0.386 -18.559 75 HZ2 LYS 9 HZ2 LYS 9 -4.976 0.114 -17.338 76 H ASN 10 H ASN 10 -6.662 4.105 -12.286 77 HA ASN 10 HA ASN 10 -9.383 3.924 -13.279 78 HB2 ASN 10 HB2 ASN 10 -9.689 1.700 -12.365 79 HB3 ASN 10 HB3 ASN 10 -8.216 1.635 -13.313 80 HD21 ASN 10 HD21 ASN 10 -9.419 0.357 -10.743 81 HD22 ASN 10 HD22 ASN 10 -8.092 0.322 -9.631 82 H GLY 11 H GLY 11 -7.944 5.896 -11.585 83 HA2 GLY 11 HA2 GLY 11 -8.968 7.080 -9.814 84 HA3 GLY 11 HA3 GLY 11 -9.504 5.568 -9.108 85 H ASP 12 H ASP 12 -7.375 8.046 -8.644 86 HA ASP 12 HA ASP 12 -4.960 6.824 -8.180 87 HB2 ASP 12 HB2 ASP 12 -4.433 8.787 -6.827 88 HB3 ASP 12 HB3 ASP 12 -5.379 9.295 -8.212 89 HD2 ASP 12 HD2 ASP 12 -7.498 10.043 -7.759 90 H VAL 13 H VAL 13 -3.955 6.318 -5.986 91 HA VAL 13 HA VAL 13 -5.998 5.361 -4.100 92 HB VAL 13 HB VAL 13 -3.307 4.155 -4.777 93 HG11 VAL 13 HG11 VAL 13 -5.491 3.128 -2.931 94 HG12 VAL 13 HG12 VAL 13 -3.951 2.318 -3.307 95 HG13 VAL 13 HG13 VAL 13 -3.952 3.855 -2.409 96 HG21 VAL 13 HG21 VAL 13 -4.303 2.851 -6.301 97 HG22 VAL 13 HG22 VAL 13 -5.670 2.494 -5.218 98 HG23 VAL 13 HG23 VAL 13 -5.684 3.970 -6.213 99 H LYS 14 H LYS 14 -5.942 6.316 -2.133 100 HA LYS 14 HA LYS 14 -3.658 8.010 -1.549 101 HB2 LYS 14 HB2 LYS 14 -6.082 8.768 -1.389 102 HB3 LYS 14 HB3 LYS 14 -6.233 7.734 0.017 103 HG2 LYS 14 HG2 LYS 14 -4.018 9.814 -0.206 104 HG3 LYS 14 HG3 LYS 14 -5.601 10.222 0.424 105 HD2 LYS 14 HD2 LYS 14 -4.686 7.778 1.699 106 HD3 LYS 14 HD3 LYS 14 -3.420 8.984 1.814 107 HE2 LYS 14 HE2 LYS 14 -4.582 10.176 3.364 108 HE3 LYS 14 HE3 LYS 14 -6.018 10.207 2.361 109 HZ1 LYS 14 HZ1 LYS 14 -5.335 7.721 3.783 110 HZ2 LYS 14 HZ2 LYS 14 -6.065 8.923 4.604 111 H PHE 15 H PHE 15 -1.933 6.935 -0.712 112 HA PHE 15 HA PHE 15 -2.517 4.861 1.271 113 HB2 PHE 15 HB2 PHE 15 -1.143 4.255 -0.743 114 HB3 PHE 15 HB3 PHE 15 -0.068 5.604 -0.438 115 HD1 PHE 15 HD1 PHE 15 -1.426 2.821 1.663 116 HD2 PHE 15 HD2 PHE 15 1.999 4.910 0.281 117 HE1 PHE 15 HE1 PHE 15 0.041 1.336 3.056 118 HE2 PHE 15 HE2 PHE 15 3.467 3.425 1.674 119 HZ PHE 15 HZ PHE 15 2.470 1.656 3.045 120 HA PRO 16 HA PRO 16 -0.878 7.743 4.233 121 HB2 PRO 16 HB2 PRO 16 -1.738 6.419 6.448 122 HB3 PRO 16 HB3 PRO 16 -2.885 7.222 5.328 123 HG2 PRO 16 HG2 PRO 16 -2.475 4.090 5.473 124 HG3 PRO 16 HG3 PRO 16 -3.663 5.415 5.247 125 HD2 PRO 16 HD2 PRO 16 -2.001 3.981 3.247 126 HD3 PRO 16 HD3 PRO 16 -3.360 5.112 2.971 127 H HIS 17 H HIS 17 1.421 7.423 3.838 128 HA HIS 17 HA HIS 17 2.605 4.982 4.741 129 HB2 HIS 17 HB2 HIS 17 3.410 6.201 2.753 130 HB3 HIS 17 HB3 HIS 17 3.859 7.562 3.761 131 HD1 HIS 17 HD1 HIS 17 5.814 7.062 5.592 132 HD2 HIS 17 HD2 HIS 17 5.326 4.225 2.542 133 HE1 HIS 17 HE1 HIS 17 7.951 5.668 5.564 134 H LYS 18 H LYS 18 1.229 5.845 6.897 135 HA LYS 18 HA LYS 18 3.388 6.662 8.673 136 HB2 LYS 18 HB2 LYS 18 2.535 8.764 8.623 137 HB3 LYS 18 HB3 LYS 18 0.954 8.243 8.076 138 HG2 LYS 18 HG2 LYS 18 0.178 7.821 10.238 139 HG3 LYS 18 HG3 LYS 18 1.770 7.424 10.854 140 HD2 LYS 18 HD2 LYS 18 2.271 10.000 10.341 141 HD3 LYS 18 HD3 LYS 18 0.527 10.147 10.424 142 HE2 LYS 18 HE2 LYS 18 0.438 9.568 12.698 143 HE3 LYS 18 HE3 LYS 18 1.912 8.623 12.629 144 HZ1 LYS 18 HZ1 LYS 18 2.983 10.437 13.366 145 HZ2 LYS 18 HZ2 LYS 18 2.621 11.240 11.996 146 H ALA 19 H ALA 19 -0.191 6.028 8.800 147 HA ALA 19 HA ALA 19 -0.131 4.680 11.203 148 HB1 ALA 19 HB1 ALA 19 -2.028 4.068 8.914 149 HB2 ALA 19 HB2 ALA 19 -2.356 4.024 10.663 150 HB3 ALA 19 HB3 ALA 19 -2.110 5.584 9.842 151 H HIS 20 H HIS 20 0.979 3.704 8.029 152 HA HIS 20 HA HIS 20 0.789 0.904 8.589 153 HB2 HIS 20 HB2 HIS 20 1.898 2.582 6.353 154 HB3 HIS 20 HB3 HIS 20 2.314 0.883 6.459 155 HD1 HIS 20 HD1 HIS 20 -0.603 3.192 5.820 156 HD2 HIS 20 HD2 HIS 20 0.236 -0.918 5.831 157 HE1 HIS 20 HE1 HIS 20 -2.604 2.050 4.722 158 H GLN 21 H GLN 21 2.596 3.269 9.976 159 HA GLN 21 HA GLN 21 5.067 1.765 9.921 160 HB2 GLN 21 HB2 GLN 21 4.347 4.516 11.012 161 HB3 GLN 21 HB3 GLN 21 5.918 3.780 11.260 162 HG2 GLN 21 HG2 GLN 21 6.479 3.867 8.965 163 HG3 GLN 21 HG3 GLN 21 4.805 3.931 8.450 164 HE21 GLN 21 HE21 GLN 21 6.522 5.665 7.370 165 HE22 GLN 21 HE22 GLN 21 6.270 7.282 7.940 166 H LYS 22 H LYS 22 2.737 3.206 12.312 167 HA LYS 22 HA LYS 22 3.913 1.910 14.520 168 HB2 LYS 22 HB2 LYS 22 1.260 3.283 14.059 169 HB3 LYS 22 HB3 LYS 22 1.670 2.546 15.595 170 HG2 LYS 22 HG2 LYS 22 3.783 4.314 14.439 171 HG3 LYS 22 HG3 LYS 22 2.305 5.133 14.905 172 HD2 LYS 22 HD2 LYS 22 2.844 3.348 17.042 173 HD3 LYS 22 HD3 LYS 22 4.409 4.004 16.605 174 HE2 LYS 22 HE2 LYS 22 2.621 6.221 16.550 175 HE3 LYS 22 HE3 LYS 22 2.188 5.312 17.984 176 HZ1 LYS 22 HZ1 LYS 22 4.060 6.025 18.973 177 HZ2 LYS 22 HZ2 LYS 22 5.012 5.480 17.770 178 H ALA 23 H ALA 23 1.656 0.923 12.003 179 HA ALA 23 HA ALA 23 0.678 -1.319 13.523 180 HB1 ALA 23 HB1 ALA 23 0.383 -0.564 10.587 181 HB2 ALA 23 HB2 ALA 23 -0.544 -1.819 11.443 182 HB3 ALA 23 HB3 ALA 23 -0.738 -0.108 11.892 183 H VAL 24 H VAL 24 3.266 -0.543 11.222 184 HA VAL 24 HA VAL 24 4.231 -3.280 11.554 185 HB VAL 24 HB VAL 24 4.034 -1.806 8.920 186 HG11 VAL 24 HG11 VAL 24 5.229 -3.507 7.902 187 HG12 VAL 24 HG12 VAL 24 6.070 -3.376 9.465 188 HG13 VAL 24 HG13 VAL 24 4.883 -4.676 9.198 189 HG21 VAL 24 HG21 VAL 24 1.966 -2.663 8.842 190 HG22 VAL 24 HG22 VAL 24 2.742 -4.256 8.677 191 HG23 VAL 24 HG23 VAL 24 2.243 -3.671 10.283 192 HA PRO 25 HA PRO 25 7.009 0.320 12.855 193 HB2 PRO 25 HB2 PRO 25 7.746 -2.147 14.495 194 HB3 PRO 25 HB3 PRO 25 7.790 -0.408 14.933 195 HG2 PRO 25 HG2 PRO 25 5.409 -1.831 15.712 196 HG3 PRO 25 HG3 PRO 25 5.743 -0.229 14.978 197 HD2 PRO 25 HD2 PRO 25 4.845 -2.842 13.633 198 HD3 PRO 25 HD3 PRO 25 4.094 -1.222 13.517 199 H ASP 26 H ASP 26 7.390 -3.067 11.716 200 HA ASP 26 HA ASP 26 10.171 -2.718 11.272 201 HB2 ASP 26 HB2 ASP 26 9.154 -4.943 11.726 202 HB3 ASP 26 HB3 ASP 26 8.191 -4.817 10.267 203 HD2 ASP 26 HD2 ASP 26 11.257 -5.955 11.344 204 H CYS 27 H CYS 27 10.908 -1.443 9.566 205 HA CYS 27 HA CYS 27 9.133 -0.858 7.392 206 HB2 CYS 27 HB2 CYS 27 12.008 -0.014 7.480 207 HB3 CYS 27 HB3 CYS 27 10.628 0.806 6.775 208 H LYS 28 H LYS 28 11.432 -3.276 8.244 209 HA LYS 28 HA LYS 28 12.435 -3.740 5.603 210 HB2 LYS 28 HB2 LYS 28 12.620 -5.287 8.201 211 HB3 LYS 28 HB3 LYS 28 13.360 -5.823 6.706 212 HG2 LYS 28 HG2 LYS 28 14.189 -3.167 6.841 213 HG3 LYS 28 HG3 LYS 28 14.171 -3.628 8.531 214 HD2 LYS 28 HD2 LYS 28 15.350 -5.761 6.916 215 HD3 LYS 28 HD3 LYS 28 16.167 -4.243 6.602 216 HE2 LYS 28 HE2 LYS 28 15.630 -5.293 9.419 217 HE3 LYS 28 HE3 LYS 28 17.114 -5.617 8.545 218 HZ1 LYS 28 HZ1 LYS 28 17.565 -3.684 9.773 219 HZ2 LYS 28 HZ2 LYS 28 17.235 -3.074 8.299 220 H LYS 29 H LYS 29 9.412 -4.097 6.982 221 HA LYS 29 HA LYS 29 8.736 -6.694 6.102 222 HB2 LYS 29 HB2 LYS 29 7.361 -4.339 7.247 223 HB3 LYS 29 HB3 LYS 29 6.362 -5.348 6.221 224 HG2 LYS 29 HG2 LYS 29 8.118 -6.542 8.404 225 HG3 LYS 29 HG3 LYS 29 6.499 -5.963 8.744 226 HD2 LYS 29 HD2 LYS 29 6.417 -7.622 6.363 227 HD3 LYS 29 HD3 LYS 29 7.265 -8.491 7.626 228 HE2 LYS 29 HE2 LYS 29 5.359 -8.800 8.844 229 HE3 LYS 29 HE3 LYS 29 4.877 -7.124 8.675 230 HZ1 LYS 29 HZ1 LYS 29 3.960 -7.616 6.508 231 HZ2 LYS 29 HZ2 LYS 29 4.540 -9.138 6.517 232 H CYS 30 H CYS 30 8.303 -3.383 4.696 233 HA CYS 30 HA CYS 30 7.491 -4.665 2.211 234 HB2 CYS 30 HB2 CYS 30 7.474 -1.694 2.781 235 HB3 CYS 30 HB3 CYS 30 6.602 -2.565 1.535 236 H HIS 31 H HIS 31 9.732 -2.107 3.512 237 HA HIS 31 HA HIS 31 11.205 -1.965 1.108 238 HB2 HIS 31 HB2 HIS 31 11.858 -1.029 3.916 239 HB3 HIS 31 HB3 HIS 31 12.791 -0.626 2.489 240 HD1 HIS 31 HD1 HIS 31 11.112 0.519 0.475 241 HD2 HIS 31 HD2 HIS 31 10.036 0.904 4.511 242 HE1 HIS 31 HE1 HIS 31 9.495 2.489 0.599 243 H GLU 32 H GLU 32 12.347 -3.671 0.328 244 HA GLU 32 HA GLU 32 13.479 -5.513 2.223 245 HB2 GLU 32 HB2 GLU 32 12.847 -5.515 -0.695 246 HB3 GLU 32 HB3 GLU 32 14.248 -6.459 -0.232 247 HG2 GLU 32 HG2 GLU 32 11.658 -6.732 1.327 248 HG3 GLU 32 HG3 GLU 32 11.855 -7.578 -0.195 249 HE2 GLU 32 HE2 GLU 32 13.134 -9.472 -0.066 250 H LYS 33 H LYS 33 14.612 -3.504 -0.591 251 HA LYS 33 HA LYS 33 17.351 -3.933 0.146 252 HB2 LYS 33 HB2 LYS 33 16.237 -2.005 -1.907 253 HB3 LYS 33 HB3 LYS 33 17.868 -2.640 -1.809 254 HG2 LYS 33 HG2 LYS 33 17.004 -4.099 -3.393 255 HG3 LYS 33 HG3 LYS 33 16.612 -5.004 -1.944 256 HD2 LYS 33 HD2 LYS 33 14.355 -4.675 -2.189 257 HD3 LYS 33 HD3 LYS 33 14.548 -2.999 -2.663 258 HE2 LYS 33 HE2 LYS 33 14.065 -3.645 -4.787 259 HE3 LYS 33 HE3 LYS 33 15.641 -4.410 -4.834 260 HZ1 LYS 33 HZ1 LYS 33 14.433 -6.380 -3.724 261 HZ2 LYS 33 HZ2 LYS 33 13.048 -5.673 -4.205 262 H GLY 34 H GLY 34 14.936 -2.204 1.579 263 HA2 GLY 34 HA2 GLY 34 15.600 -0.876 3.478 264 HA3 GLY 34 HA3 GLY 34 16.834 -0.126 2.485 265 HA PRO 35 HA PRO 35 12.712 2.327 2.816 266 HB2 PRO 35 HB2 PRO 35 14.216 4.635 3.507 267 HB3 PRO 35 HB3 PRO 35 13.331 3.557 4.636 268 HG2 PRO 35 HG2 PRO 35 16.153 3.528 3.801 269 HG3 PRO 35 HG3 PRO 35 15.750 3.282 5.532 270 HD2 PRO 35 HD2 PRO 35 16.299 1.116 4.180 271 HD3 PRO 35 HD3 PRO 35 14.693 1.120 4.971 272 H GLY 36 H GLY 36 12.002 3.536 1.011 273 HA2 GLY 36 HA2 GLY 36 12.962 5.330 -0.542 274 HA3 GLY 36 HA3 GLY 36 14.075 4.063 -1.016 275 H LYS 37 H LYS 37 13.066 4.444 -3.209 276 HA LYS 37 HA LYS 37 10.349 3.707 -3.585 277 HB2 LYS 37 HB2 LYS 37 12.043 5.199 -5.005 278 HB3 LYS 37 HB3 LYS 37 12.329 3.677 -5.826 279 HG2 LYS 37 HG2 LYS 37 9.454 4.278 -5.330 280 HG3 LYS 37 HG3 LYS 37 10.252 5.413 -6.401 281 HD2 LYS 37 HD2 LYS 37 10.968 2.616 -7.015 282 HD3 LYS 37 HD3 LYS 37 9.240 2.890 -7.113 283 HE2 LYS 37 HE2 LYS 37 9.502 4.647 -8.748 284 HE3 LYS 37 HE3 LYS 37 11.224 4.778 -8.447 285 HZ1 LYS 37 HZ1 LYS 37 9.798 2.737 -9.984 286 HZ2 LYS 37 HZ2 LYS 37 11.231 3.443 -10.301 287 H ILE 38 H ILE 38 9.500 1.789 -4.556 288 HA ILE 38 HA ILE 38 11.255 -0.515 -4.110 289 HB ILE 38 HB ILE 38 8.243 -0.298 -4.168 290 HG12 ILE 38 HG12 ILE 38 10.088 -0.841 -1.826 291 HG13 ILE 38 HG13 ILE 38 9.407 0.731 -2.194 292 HG21 ILE 38 HG21 ILE 38 8.368 -2.463 -4.753 293 HG22 ILE 38 HG22 ILE 38 10.076 -2.608 -4.272 294 HG23 ILE 38 HG23 ILE 38 8.793 -2.711 -3.043 295 HD11 ILE 38 HD11 ILE 38 7.380 -1.425 -2.180 296 HD12 ILE 38 HD12 ILE 38 8.197 -1.203 -0.614 297 HD13 ILE 38 HD13 ILE 38 7.354 0.165 -1.379 298 H GLU 39 H GLU 39 12.108 -1.480 -5.865 299 HA GLU 39 HA GLU 39 11.081 -0.738 -8.426 300 HB2 GLU 39 HB2 GLU 39 13.545 -1.952 -7.338 301 HB3 GLU 39 HB3 GLU 39 13.045 -2.672 -8.855 302 HG2 GLU 39 HG2 GLU 39 12.697 0.150 -9.164 303 HG3 GLU 39 HG3 GLU 39 14.251 -0.065 -8.383 304 HE2 GLU 39 HE2 GLU 39 14.872 0.571 -11.066 305 H GLY 40 H GLY 40 9.872 -2.012 -9.831 306 HA2 GLY 40 HA2 GLY 40 9.183 -4.114 -10.655 307 HA3 GLY 40 HA3 GLY 40 9.422 -4.820 -9.069 308 H PHE 41 H PHE 41 8.142 -2.717 -7.495 309 HA PHE 41 HA PHE 41 5.685 -3.571 -7.127 310 HB2 PHE 41 HB2 PHE 41 6.933 -1.629 -6.010 311 HB3 PHE 41 HB3 PHE 41 6.514 -0.617 -7.377 312 HD1 PHE 41 HD1 PHE 41 4.816 -2.823 -4.882 313 HD2 PHE 41 HD2 PHE 41 4.678 0.756 -7.158 314 HE1 PHE 41 HE1 PHE 41 2.667 -2.186 -3.752 315 HE2 PHE 41 HE2 PHE 41 2.529 1.392 -6.028 316 HZ PHE 41 HZ PHE 41 1.549 -0.086 -4.338 317 H GLY 42 H GLY 42 3.501 -3.049 -7.804 318 HA2 GLY 42 HA2 GLY 42 2.833 -1.351 -9.903 319 HA3 GLY 42 HA3 GLY 42 3.195 -2.911 -10.613 320 H LYS 43 H LYS 43 0.848 -2.888 -11.223 321 HA LYS 43 HA LYS 43 -1.191 -2.845 -9.348 322 HB2 LYS 43 HB2 LYS 43 -1.294 -2.699 -11.903 323 HB3 LYS 43 HB3 LYS 43 -1.224 -4.450 -11.911 324 HG2 LYS 43 HG2 LYS 43 -3.181 -3.957 -9.989 325 HG3 LYS 43 HG3 LYS 43 -3.454 -2.655 -11.129 326 HD2 LYS 43 HD2 LYS 43 -2.996 -5.050 -12.661 327 HD3 LYS 43 HD3 LYS 43 -4.141 -5.451 -11.398 328 HE2 LYS 43 HE2 LYS 43 -5.736 -3.869 -12.146 329 HE3 LYS 43 HE3 LYS 43 -4.537 -2.897 -12.975 330 HZ1 LYS 43 HZ1 LYS 43 -5.221 -5.644 -13.860 331 HZ2 LYS 43 HZ2 LYS 43 -5.970 -4.325 -14.451 332 H GLU 44 H GLU 44 -0.212 -5.873 -11.075 333 HA GLU 44 HA GLU 44 -1.298 -7.662 -9.513 334 HB2 GLU 44 HB2 GLU 44 1.434 -7.657 -10.818 335 HB3 GLU 44 HB3 GLU 44 0.905 -9.063 -9.916 336 HG2 GLU 44 HG2 GLU 44 0.366 -8.742 -12.550 337 HG3 GLU 44 HG3 GLU 44 -0.687 -9.645 -11.479 338 HE2 GLU 44 HE2 GLU 44 -2.533 -8.606 -10.771 339 H MET 45 H MET 45 1.597 -5.732 -8.665 340 HA MET 45 HA MET 45 2.210 -7.223 -6.367 341 HB2 MET 45 HB2 MET 45 3.411 -5.210 -7.865 342 HB3 MET 45 HB3 MET 45 2.915 -4.310 -6.445 343 HG2 MET 45 HG2 MET 45 4.547 -6.894 -6.358 344 HG3 MET 45 HG3 MET 45 5.237 -5.287 -6.252 345 HE1 MET 45 HE1 MET 45 6.265 -5.493 -3.626 346 HE2 MET 45 HE2 MET 45 5.472 -6.748 -2.643 347 HE3 MET 45 HE3 MET 45 6.012 -7.122 -4.297 348 H ALA 46 H ALA 46 0.648 -3.964 -6.814 349 HA ALA 46 HA ALA 46 0.076 -3.472 -4.177 350 HB1 ALA 46 HB1 ALA 46 -2.053 -2.620 -5.998 351 HB2 ALA 46 HB2 ALA 46 -0.879 -1.643 -5.085 352 HB3 ALA 46 HB3 ALA 46 -0.433 -2.316 -6.671 353 H HIS 47 H HIS 47 -1.990 -5.143 -6.655 354 HA HIS 47 HA HIS 47 -3.985 -5.761 -4.754 355 HB2 HIS 47 HB2 HIS 47 -3.450 -6.976 -7.479 356 HB3 HIS 47 HB3 HIS 47 -4.925 -7.149 -6.550 357 HD1 HIS 47 HD1 HIS 47 -4.603 -5.765 -9.448 358 HD2 HIS 47 HD2 HIS 47 -5.051 -3.810 -5.763 359 HE1 HIS 47 HE1 HIS 47 -5.548 -3.454 -9.975 360 H GLY 48 H GLY 48 -1.026 -7.354 -5.950 361 HA2 GLY 48 HA2 GLY 48 -1.613 -9.915 -4.832 362 HA3 GLY 48 HA3 GLY 48 -0.072 -9.337 -5.434 363 H LYS 49 H LYS 49 1.411 -9.698 -3.825 364 HA LYS 49 HA LYS 49 0.613 -9.268 -1.076 365 HB2 LYS 49 HB2 LYS 49 2.009 -11.241 -2.013 366 HB3 LYS 49 HB3 LYS 49 3.347 -10.111 -2.030 367 HG2 LYS 49 HG2 LYS 49 2.600 -9.593 0.462 368 HG3 LYS 49 HG3 LYS 49 1.767 -11.130 0.348 369 HD2 LYS 49 HD2 LYS 49 3.836 -11.852 1.140 370 HD3 LYS 49 HD3 LYS 49 4.103 -12.004 -0.585 371 HE2 LYS 49 HE2 LYS 49 6.025 -10.845 0.304 372 HE3 LYS 49 HE3 LYS 49 5.087 -9.650 -0.569 373 HZ1 LYS 49 HZ1 LYS 49 5.583 -9.826 2.272 374 HZ2 LYS 49 HZ2 LYS 49 5.224 -8.516 1.373 375 H GLY 50 H GLY 50 0.492 -6.922 -2.692 376 HA2 GLY 50 HA2 GLY 50 2.882 -5.422 -1.820 377 HA3 GLY 50 HA3 GLY 50 1.825 -4.991 -3.149 378 H CYS 51 H CYS 51 -0.726 -5.108 -2.213 379 HA CYS 51 HA CYS 51 -0.659 -3.410 0.175 380 HB2 CYS 51 HB2 CYS 51 -2.424 -3.101 -2.264 381 HB3 CYS 51 HB3 CYS 51 -2.604 -2.196 -0.774 382 H LYS 52 H LYS 52 -3.444 -4.584 -1.785 383 HA LYS 52 HA LYS 52 -5.016 -5.391 0.237 384 HB2 LYS 52 HB2 LYS 52 -4.703 -6.424 -2.578 385 HB3 LYS 52 HB3 LYS 52 -5.903 -7.107 -1.499 386 HG2 LYS 52 HG2 LYS 52 -6.309 -4.391 -1.115 387 HG3 LYS 52 HG3 LYS 52 -5.834 -4.433 -2.801 388 HD2 LYS 52 HD2 LYS 52 -7.896 -6.409 -1.788 389 HD3 LYS 52 HD3 LYS 52 -8.381 -4.760 -2.128 390 HE2 LYS 52 HE2 LYS 52 -8.764 -5.896 -4.181 391 HE3 LYS 52 HE3 LYS 52 -7.244 -5.064 -4.444 392 HZ1 LYS 52 HZ1 LYS 52 -6.576 -7.144 -5.035 393 HZ2 LYS 52 HZ2 LYS 52 -6.372 -7.385 -3.438 394 H GLY 53 H GLY 53 -2.475 -7.388 -1.395 395 HA2 GLY 53 HA2 GLY 53 -2.699 -9.811 -0.376 396 HA3 GLY 53 HA3 GLY 53 -1.156 -8.981 -0.420 397 H CYS 54 H CYS 54 -0.828 -7.329 1.515 398 HA CYS 54 HA CYS 54 -0.749 -8.800 3.832 399 HB2 CYS 54 HB2 CYS 54 0.606 -6.741 3.252 400 HB3 CYS 54 HB3 CYS 54 -0.785 -5.771 3.694 401 H HIS 55 H HIS 55 -3.135 -6.360 2.633 402 HA HIS 55 HA HIS 55 -4.672 -6.154 4.896 403 HB2 HIS 55 HB2 HIS 55 -5.394 -5.978 1.964 404 HB3 HIS 55 HB3 HIS 55 -6.530 -5.605 3.244 405 HD1 HIS 55 HD1 HIS 55 -6.195 -3.239 1.663 406 HD2 HIS 55 HD2 HIS 55 -3.290 -4.242 4.518 407 HE1 HIS 55 HE1 HIS 55 -4.917 -1.089 2.169 408 H GLU 56 H GLU 56 -5.611 -8.147 2.004 409 HA GLU 56 HA GLU 56 -7.517 -9.580 3.333 410 HB2 GLU 56 HB2 GLU 56 -6.851 -11.361 1.438 411 HB3 GLU 56 HB3 GLU 56 -7.686 -9.870 1.053 412 HG2 GLU 56 HG2 GLU 56 -5.809 -8.891 0.090 413 HG3 GLU 56 HG3 GLU 56 -4.691 -9.720 1.153 414 HE2 GLU 56 HE2 GLU 56 -5.216 -12.745 -0.189 415 H GLU 57 H GLU 57 -4.040 -9.783 3.540 416 HA GLU 57 HA GLU 57 -3.788 -12.465 4.190 417 HB2 GLU 57 HB2 GLU 57 -2.131 -10.085 4.159 418 HB3 GLU 57 HB3 GLU 57 -1.824 -10.973 5.638 419 HG2 GLU 57 HG2 GLU 57 -1.585 -11.986 2.776 420 HG3 GLU 57 HG3 GLU 57 -0.315 -11.862 3.977 421 HE2 GLU 57 HE2 GLU 57 -2.687 -14.130 2.844 422 H MET 58 H MET 58 -4.156 -9.524 6.289 423 HA MET 58 HA MET 58 -4.611 -11.313 8.525 424 HB2 MET 58 HB2 MET 58 -4.253 -8.266 8.377 425 HB3 MET 58 HB3 MET 58 -4.389 -9.177 9.868 426 HG2 MET 58 HG2 MET 58 -2.319 -10.330 8.137 427 HG3 MET 58 HG3 MET 58 -2.011 -8.628 8.423 428 HE1 MET 58 HE1 MET 58 -2.587 -8.068 11.863 429 HE2 MET 58 HE2 MET 58 -0.829 -8.117 11.588 430 HE3 MET 58 HE3 MET 58 -1.912 -7.505 10.315 431 H LYS 59 H LYS 59 -6.420 -10.004 6.091 432 HA LYS 59 HA LYS 59 -8.596 -9.726 5.813 433 HB2 LYS 59 HB2 LYS 59 -8.488 -11.160 8.374 434 HB3 LYS 59 HB3 LYS 59 -9.923 -10.170 8.199 435 HG2 LYS 59 HG2 LYS 59 -8.955 -12.120 6.058 436 HG3 LYS 59 HG3 LYS 59 -10.136 -12.540 7.282 437 HD2 LYS 59 HD2 LYS 59 -10.934 -10.034 6.066 438 HD3 LYS 59 HD3 LYS 59 -10.578 -11.180 4.788 439 HE2 LYS 59 HE2 LYS 59 -12.418 -12.451 5.258 440 HE3 LYS 59 HE3 LYS 59 -12.108 -12.423 6.983 441 HZ1 LYS 59 HZ1 LYS 59 -14.133 -11.106 5.862 442 HZ2 LYS 59 HZ2 LYS 59 -13.445 -10.609 7.252 443 H LYS 60 H LYS 60 -6.560 -7.812 7.428 444 HA LYS 60 HA LYS 60 -8.629 -5.894 8.229 445 HB2 LYS 60 HB2 LYS 60 -5.684 -5.915 8.950 446 HB3 LYS 60 HB3 LYS 60 -6.909 -4.828 9.573 447 HG2 LYS 60 HG2 LYS 60 -7.208 -7.841 9.859 448 HG3 LYS 60 HG3 LYS 60 -6.255 -6.921 11.006 449 HD2 LYS 60 HD2 LYS 60 -8.111 -6.109 12.044 450 HD3 LYS 60 HD3 LYS 60 -8.833 -5.613 10.526 451 HE2 LYS 60 HE2 LYS 60 -10.334 -7.297 10.823 452 HE3 LYS 60 HE3 LYS 60 -9.037 -8.406 10.424 453 HZ1 LYS 60 HZ1 LYS 60 -10.130 -7.761 13.044 454 HZ2 LYS 60 HZ2 LYS 60 -9.523 -9.172 12.504 455 H GLY 61 H GLY 61 -8.528 -3.716 7.451 456 HA2 GLY 61 HA2 GLY 61 -7.706 -2.023 6.107 457 HA3 GLY 61 HA3 GLY 61 -6.596 -3.140 5.340 458 HA PRO 62 HA PRO 62 -10.568 -2.336 2.810 459 HB2 PRO 62 HB2 PRO 62 -9.399 -0.744 0.872 460 HB3 PRO 62 HB3 PRO 62 -10.118 -0.102 2.385 461 HG2 PRO 62 HG2 PRO 62 -7.373 -0.785 1.730 462 HG3 PRO 62 HG3 PRO 62 -7.816 0.770 2.506 463 HD2 PRO 62 HD2 PRO 62 -6.839 -1.203 4.024 464 HD3 PRO 62 HD3 PRO 62 -8.312 -0.358 4.589 465 H THR 63 H THR 63 -10.925 -4.125 1.501 466 HA THR 63 HA THR 63 -8.650 -4.981 -0.164 467 HB THR 63 HB THR 63 -9.354 -7.309 0.312 468 HG1 THR 63 HG1 THR 63 -11.241 -5.967 2.108 469 HG21 THR 63 HG21 THR 63 -9.375 -7.115 2.994 470 HG22 THR 63 HG22 THR 63 -7.881 -6.812 2.076 471 HG23 THR 63 HG23 THR 63 -8.869 -5.445 2.644 472 H LYS 64 H LYS 64 -11.777 -3.695 -0.058 473 HA LYS 64 HA LYS 64 -12.537 -4.997 -2.558 474 HB2 LYS 64 HB2 LYS 64 -14.143 -3.128 -0.791 475 HB3 LYS 64 HB3 LYS 64 -14.738 -4.040 -2.164 476 HG2 LYS 64 HG2 LYS 64 -13.350 -5.799 -0.270 477 HG3 LYS 64 HG3 LYS 64 -14.625 -4.904 0.533 478 HD2 LYS 64 HD2 LYS 64 -16.319 -5.878 -0.746 479 HD3 LYS 64 HD3 LYS 64 -15.286 -6.112 -2.142 480 HE2 LYS 64 HE2 LYS 64 -14.595 -7.659 0.347 481 HE3 LYS 64 HE3 LYS 64 -16.028 -8.158 -0.529 482 HZ1 LYS 64 HZ1 LYS 64 -13.252 -8.068 -1.541 483 HZ2 LYS 64 HZ2 LYS 64 -14.269 -9.340 -1.521 484 H CYS 65 H CYS 65 -13.267 -3.642 -4.388 485 HA CYS 65 HA CYS 65 -11.363 -1.635 -4.905 486 HB2 CYS 65 HB2 CYS 65 -13.816 -1.826 -6.576 487 HB3 CYS 65 HB3 CYS 65 -12.138 -1.644 -7.049 488 H GLY 66 H GLY 66 -11.932 0.672 -5.478 489 HA2 GLY 66 HA2 GLY 66 -13.201 2.577 -5.284 490 HA3 GLY 66 HA3 GLY 66 -14.430 1.695 -4.398 491 H GLU 67 H GLU 67 -12.554 0.441 -2.467 492 HA GLU 67 HA GLU 67 -12.518 2.576 -0.629 493 HB2 GLU 67 HB2 GLU 67 -12.595 -0.190 -0.460 494 HB3 GLU 67 HB3 GLU 67 -10.959 0.149 0.067 495 HG2 GLU 67 HG2 GLU 67 -11.857 1.818 1.722 496 HG3 GLU 67 HG3 GLU 67 -13.488 1.424 1.215 497 HE2 GLU 67 HE2 GLU 67 -11.832 -0.463 4.034 498 H CYS 68 H CYS 68 -10.315 1.422 -3.039 499 HA CYS 68 HA CYS 68 -8.121 2.829 -1.701 500 HB2 CYS 68 HB2 CYS 68 -8.219 0.278 -3.115 501 HB3 CYS 68 HB3 CYS 68 -7.017 1.350 -3.804 502 H HIS 69 H HIS 69 -9.726 2.091 -4.876 503 HA HIS 69 HA HIS 69 -8.434 4.381 -6.063 504 HB2 HIS 69 HB2 HIS 69 -10.400 2.380 -7.213 505 HB3 HIS 69 HB3 HIS 69 -9.569 3.626 -8.123 506 HD1 HIS 69 HD1 HIS 69 -6.806 3.413 -8.055 507 HD2 HIS 69 HD2 HIS 69 -9.041 0.003 -7.070 508 HE1 HIS 69 HE1 HIS 69 -5.220 1.428 -8.287 509 H LYS 70 H LYS 70 -9.248 6.304 -5.300 510 HA LYS 70 HA LYS 70 -12.173 6.571 -5.412 511 HB2 LYS 70 HB2 LYS 70 -10.143 7.664 -3.473 512 HB3 LYS 70 HB3 LYS 70 -11.665 8.493 -3.728 513 HG2 LYS 70 HG2 LYS 70 -12.266 5.694 -3.451 514 HG3 LYS 70 HG3 LYS 70 -11.151 6.111 -2.165 515 HD2 LYS 70 HD2 LYS 70 -13.030 6.832 -1.073 516 HD3 LYS 70 HD3 LYS 70 -12.836 8.274 -2.049 517 HE2 LYS 70 HE2 LYS 70 -14.235 6.203 -3.571 518 HE3 LYS 70 HE3 LYS 70 -15.049 6.488 -2.046 519 HZ1 LYS 70 HZ1 LYS 70 -15.512 8.659 -2.625 520 HZ2 LYS 70 HZ2 LYS 70 -14.214 8.836 -3.591 521 H LYS 71 H LYS 71 -12.841 7.747 -7.117 522 HA LYS 71 HA LYS 71 -11.239 10.075 -7.843 523 HB2 LYS 71 HB2 LYS 71 -10.788 7.894 -9.269 524 HB3 LYS 71 HB3 LYS 71 -12.295 8.335 -10.047 525 HG2 LYS 71 HG2 LYS 71 -10.478 10.643 -9.675 526 HG3 LYS 71 HG3 LYS 71 -9.775 9.378 -10.661 527 HD2 LYS 71 HD2 LYS 71 -12.513 9.696 -11.498 528 HD3 LYS 71 HD3 LYS 71 -11.812 11.298 -11.386 529 HE2 LYS 71 HE2 LYS 71 -11.165 10.737 -13.553 530 HE3 LYS 71 HE3 LYS 71 -9.762 10.168 -12.671 531 HZ1 LYS 71 HZ1 LYS 71 -10.634 7.938 -12.724 532 HZ2 LYS 71 HZ2 LYS 71 -12.064 8.415 -13.339 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 3.945 13.915 1.874 2 HA ALA 1 HA ALA 1 5.883 13.174 3.089 3 HB1 ALA 1 HB1 ALA 1 5.625 14.736 4.957 4 HB2 ALA 1 HB2 ALA 1 4.155 13.888 5.493 5 HB3 ALA 1 HB3 ALA 1 5.734 13.069 5.573 6 H ASP 2 H ASP 2 4.221 11.805 5.634 7 HA ASP 2 HA ASP 2 4.209 9.318 4.812 8 HB2 ASP 2 HB2 ASP 2 1.638 9.953 6.143 9 HB3 ASP 2 HB3 ASP 2 2.931 8.894 6.671 10 HD2 ASP 2 HD2 ASP 2 4.231 9.662 8.198 11 H ASP 3 H ASP 3 1.786 11.842 3.987 12 HA ASP 3 HA ASP 3 -0.056 10.102 2.815 13 HB2 ASP 3 HB2 ASP 3 0.174 12.884 1.742 14 HB3 ASP 3 HB3 ASP 3 -1.244 12.031 2.319 15 HD2 ASP 3 HD2 ASP 3 -1.859 12.540 4.445 16 H ILE 4 H ILE 4 0.222 8.988 0.876 17 HA ILE 4 HA ILE 4 1.828 10.293 -1.196 18 HB ILE 4 HB ILE 4 2.062 7.423 -0.287 19 HG12 ILE 4 HG12 ILE 4 4.050 9.713 -0.228 20 HG13 ILE 4 HG13 ILE 4 3.234 9.024 1.160 21 HG21 ILE 4 HG21 ILE 4 3.112 6.864 -2.189 22 HG22 ILE 4 HG22 ILE 4 2.241 8.255 -2.876 23 HG23 ILE 4 HG23 ILE 4 3.925 8.441 -2.330 24 HD11 ILE 4 HD11 ILE 4 4.269 6.790 0.629 25 HD12 ILE 4 HD12 ILE 4 5.163 7.564 -0.702 26 HD13 ILE 4 HD13 ILE 4 5.474 8.052 0.981 27 H VAL 5 H VAL 5 0.820 10.362 -3.147 28 HA VAL 5 HA VAL 5 -1.682 8.858 -3.339 29 HB VAL 5 HB VAL 5 -0.631 11.266 -4.838 30 HG11 VAL 5 HG11 VAL 5 -3.418 10.089 -5.002 31 HG12 VAL 5 HG12 VAL 5 -2.708 11.383 -5.996 32 HG13 VAL 5 HG13 VAL 5 -2.129 9.709 -6.169 33 HG21 VAL 5 HG21 VAL 5 -3.112 11.540 -3.298 34 HG22 VAL 5 HG22 VAL 5 -1.700 11.143 -2.290 35 HG23 VAL 5 HG23 VAL 5 -1.668 12.579 -3.342 36 H LEU 6 H LEU 6 -1.742 7.049 -4.562 37 HA LEU 6 HA LEU 6 0.486 6.623 -6.400 38 HB2 LEU 6 HB2 LEU 6 -1.538 4.725 -5.206 39 HB3 LEU 6 HB3 LEU 6 -0.304 4.267 -6.362 40 HG LEU 6 HG LEU 6 0.347 5.516 -3.684 41 HD11 LEU 6 HD11 LEU 6 -0.002 2.599 -4.404 42 HD12 LEU 6 HD12 LEU 6 0.915 3.158 -2.984 43 HD13 LEU 6 HD13 LEU 6 -0.821 3.528 -3.125 44 HD21 LEU 6 HD21 LEU 6 2.423 3.853 -4.523 45 HD22 LEU 6 HD22 LEU 6 1.902 4.704 -5.997 46 HD23 LEU 6 HD23 LEU 6 2.387 5.632 -4.558 47 H LYS 7 H LYS 7 -0.051 7.802 -8.237 48 HA LYS 7 HA LYS 7 -2.548 8.153 -9.284 49 HB2 LYS 7 HB2 LYS 7 -1.438 8.729 -11.347 50 HB3 LYS 7 HB3 LYS 7 -0.501 9.334 -9.995 51 HG2 LYS 7 HG2 LYS 7 0.329 6.609 -10.670 52 HG3 LYS 7 HG3 LYS 7 0.404 7.637 -12.087 53 HD2 LYS 7 HD2 LYS 7 2.464 8.205 -11.242 54 HD3 LYS 7 HD3 LYS 7 1.534 9.330 -10.273 55 HE2 LYS 7 HE2 LYS 7 2.029 8.224 -8.345 56 HE3 LYS 7 HE3 LYS 7 1.560 6.679 -9.024 57 HZ1 LYS 7 HZ1 LYS 7 3.709 6.185 -9.428 58 HZ2 LYS 7 HZ2 LYS 7 4.035 7.621 -10.123 59 H ALA 8 H ALA 8 -3.959 7.011 -10.597 60 HA ALA 8 HA ALA 8 -3.088 4.473 -11.676 61 HB1 ALA 8 HB1 ALA 8 -5.420 3.669 -10.483 62 HB2 ALA 8 HB2 ALA 8 -3.796 3.378 -9.812 63 HB3 ALA 8 HB3 ALA 8 -4.760 4.763 -9.243 64 H LYS 9 H LYS 9 -4.185 3.992 -13.566 65 HA LYS 9 HA LYS 9 -5.812 6.065 -14.630 66 HB2 LYS 9 HB2 LYS 9 -5.836 4.704 -16.640 67 HB3 LYS 9 HB3 LYS 9 -4.211 4.806 -15.995 68 HG2 LYS 9 HG2 LYS 9 -4.567 2.572 -14.858 69 HG3 LYS 9 HG3 LYS 9 -6.140 2.467 -15.622 70 HD2 LYS 9 HD2 LYS 9 -4.492 3.047 -17.788 71 HD3 LYS 9 HD3 LYS 9 -3.442 2.059 -16.793 72 HE2 LYS 9 HE2 LYS 9 -4.789 0.161 -16.992 73 HE3 LYS 9 HE3 LYS 9 -6.266 1.089 -17.161 74 HZ1 LYS 9 HZ1 LYS 9 -5.745 1.567 -19.414 75 HZ2 LYS 9 HZ2 LYS 9 -4.195 1.086 -19.281 76 H ASN 10 H ASN 10 -6.456 3.679 -12.375 77 HA ASN 10 HA ASN 10 -9.224 3.546 -13.285 78 HB2 ASN 10 HB2 ASN 10 -7.518 1.390 -12.839 79 HB3 ASN 10 HB3 ASN 10 -8.317 1.523 -11.285 80 HD21 ASN 10 HD21 ASN 10 -9.907 0.150 -11.141 81 HD22 ASN 10 HD22 ASN 10 -11.086 -0.230 -12.351 82 H GLY 11 H GLY 11 -7.788 5.610 -11.616 83 HA2 GLY 11 HA2 GLY 11 -8.868 6.847 -9.912 84 HA3 GLY 11 HA3 GLY 11 -9.425 5.356 -9.179 85 H ASP 12 H ASP 12 -7.338 7.846 -8.687 86 HA ASP 12 HA ASP 12 -4.922 6.659 -8.138 87 HB2 ASP 12 HB2 ASP 12 -4.458 8.643 -6.795 88 HB3 ASP 12 HB3 ASP 12 -5.371 9.124 -8.211 89 HD2 ASP 12 HD2 ASP 12 -6.747 9.838 -4.597 90 H VAL 13 H VAL 13 -3.977 6.170 -5.921 91 HA VAL 13 HA VAL 13 -6.061 5.269 -4.052 92 HB VAL 13 HB VAL 13 -3.412 3.954 -4.687 93 HG11 VAL 13 HG11 VAL 13 -3.972 2.256 -3.152 94 HG12 VAL 13 HG12 VAL 13 -4.359 3.774 -2.307 95 HG13 VAL 13 HG13 VAL 13 -5.662 2.801 -3.029 96 HG21 VAL 13 HG21 VAL 13 -6.053 3.721 -5.911 97 HG22 VAL 13 HG22 VAL 13 -4.482 3.077 -6.447 98 HG23 VAL 13 HG23 VAL 13 -5.464 2.166 -5.274 99 H LYS 14 H LYS 14 -6.005 6.362 -2.163 100 HA LYS 14 HA LYS 14 -3.672 7.954 -1.574 101 HB2 LYS 14 HB2 LYS 14 -6.130 8.681 -1.366 102 HB3 LYS 14 HB3 LYS 14 -6.181 7.710 0.091 103 HG2 LYS 14 HG2 LYS 14 -4.072 9.863 -0.387 104 HG3 LYS 14 HG3 LYS 14 -5.594 10.187 0.419 105 HD2 LYS 14 HD2 LYS 14 -5.013 8.307 2.064 106 HD3 LYS 14 HD3 LYS 14 -3.423 8.245 1.329 107 HE2 LYS 14 HE2 LYS 14 -2.962 10.566 1.960 108 HE3 LYS 14 HE3 LYS 14 -4.614 10.804 2.493 109 HZ1 LYS 14 HZ1 LYS 14 -3.759 8.628 3.924 110 HZ2 LYS 14 HZ2 LYS 14 -2.448 9.595 3.917 111 H PHE 15 H PHE 15 -1.940 6.969 -0.674 112 HA PHE 15 HA PHE 15 -2.506 4.870 1.295 113 HB2 PHE 15 HB2 PHE 15 -1.180 4.206 -0.721 114 HB3 PHE 15 HB3 PHE 15 -0.103 5.570 -0.494 115 HD1 PHE 15 HD1 PHE 15 -1.345 2.685 1.540 116 HD2 PHE 15 HD2 PHE 15 1.964 5.071 0.372 117 HE1 PHE 15 HE1 PHE 15 0.178 1.252 2.928 118 HE2 PHE 15 HE2 PHE 15 3.487 3.638 1.760 119 HZ PHE 15 HZ PHE 15 2.576 1.745 3.021 120 HA PRO 16 HA PRO 16 -0.865 7.848 4.173 121 HB2 PRO 16 HB2 PRO 16 -1.744 6.583 6.422 122 HB3 PRO 16 HB3 PRO 16 -2.872 7.402 5.293 123 HG2 PRO 16 HG2 PRO 16 -2.202 4.700 5.590 124 HG3 PRO 16 HG3 PRO 16 -3.885 5.207 5.232 125 HD2 PRO 16 HD2 PRO 16 -2.172 4.120 3.339 126 HD3 PRO 16 HD3 PRO 16 -3.431 5.322 2.922 127 H HIS 17 H HIS 17 1.428 7.521 3.847 128 HA HIS 17 HA HIS 17 2.579 5.064 4.750 129 HB2 HIS 17 HB2 HIS 17 3.419 6.299 2.782 130 HB3 HIS 17 HB3 HIS 17 3.873 7.640 3.814 131 HD1 HIS 17 HD1 HIS 17 5.796 7.087 5.667 132 HD2 HIS 17 HD2 HIS 17 5.315 4.304 2.565 133 HE1 HIS 17 HE1 HIS 17 7.915 5.666 5.646 134 H LYS 18 H LYS 18 1.168 5.944 6.887 135 HA LYS 18 HA LYS 18 3.310 6.722 8.703 136 HB2 LYS 18 HB2 LYS 18 2.460 8.837 8.593 137 HB3 LYS 18 HB3 LYS 18 0.859 8.305 8.118 138 HG2 LYS 18 HG2 LYS 18 0.798 9.207 10.411 139 HG3 LYS 18 HG3 LYS 18 0.421 7.496 10.433 140 HD2 LYS 18 HD2 LYS 18 2.061 7.271 11.990 141 HD3 LYS 18 HD3 LYS 18 3.209 7.515 10.689 142 HE2 LYS 18 HE2 LYS 18 2.156 10.092 11.575 143 HE3 LYS 18 HE3 LYS 18 2.774 9.198 12.949 144 HZ1 LYS 18 HZ1 LYS 18 4.639 8.859 10.923 145 HZ2 LYS 18 HZ2 LYS 18 4.250 10.440 10.872 146 H ALA 19 H ALA 19 -0.273 6.088 8.732 147 HA ALA 19 HA ALA 19 -0.283 4.748 11.140 148 HB1 ALA 19 HB1 ALA 19 -2.223 3.703 9.216 149 HB2 ALA 19 HB2 ALA 19 -2.489 4.673 10.684 150 HB3 ALA 19 HB3 ALA 19 -2.106 5.478 9.144 151 H HIS 20 H HIS 20 0.870 3.750 7.975 152 HA HIS 20 HA HIS 20 0.708 0.957 8.581 153 HB2 HIS 20 HB2 HIS 20 1.806 2.602 6.312 154 HB3 HIS 20 HB3 HIS 20 2.210 0.902 6.445 155 HD1 HIS 20 HD1 HIS 20 -0.709 3.218 5.811 156 HD2 HIS 20 HD2 HIS 20 0.133 -0.892 5.824 157 HE1 HIS 20 HE1 HIS 20 -2.717 2.073 4.731 158 H GLN 21 H GLN 21 2.487 3.357 9.932 159 HA GLN 21 HA GLN 21 4.978 1.882 9.887 160 HB2 GLN 21 HB2 GLN 21 4.264 4.628 11.004 161 HB3 GLN 21 HB3 GLN 21 5.859 3.911 11.122 162 HG2 GLN 21 HG2 GLN 21 6.162 3.923 8.731 163 HG3 GLN 21 HG3 GLN 21 4.459 4.216 8.436 164 HE21 GLN 21 HE21 GLN 21 6.528 5.745 7.365 165 HE22 GLN 21 HE22 GLN 21 6.449 7.361 7.984 166 H LYS 22 H LYS 22 2.638 3.338 12.259 167 HA LYS 22 HA LYS 22 3.840 2.075 14.480 168 HB2 LYS 22 HB2 LYS 22 1.192 3.462 14.032 169 HB3 LYS 22 HB3 LYS 22 1.620 2.749 15.574 170 HG2 LYS 22 HG2 LYS 22 3.729 4.481 14.358 171 HG3 LYS 22 HG3 LYS 22 2.263 5.319 14.827 172 HD2 LYS 22 HD2 LYS 22 2.862 3.536 16.975 173 HD3 LYS 22 HD3 LYS 22 4.389 4.266 16.520 174 HE2 LYS 22 HE2 LYS 22 3.685 6.433 17.068 175 HE3 LYS 22 HE3 LYS 22 1.997 6.086 16.753 176 HZ1 LYS 22 HZ1 LYS 22 2.187 4.555 18.794 177 HZ2 LYS 22 HZ2 LYS 22 3.567 5.345 19.143 178 H ALA 23 H ALA 23 1.603 1.052 11.977 179 HA ALA 23 HA ALA 23 0.596 -1.152 13.543 180 HB1 ALA 23 HB1 ALA 23 -1.014 -0.348 12.070 181 HB2 ALA 23 HB2 ALA 23 0.172 -0.021 10.784 182 HB3 ALA 23 HB3 ALA 23 -0.330 -1.694 11.127 183 H VAL 24 H VAL 24 3.170 -0.429 11.205 184 HA VAL 24 HA VAL 24 4.131 -3.160 11.587 185 HB VAL 24 HB VAL 24 3.891 -1.760 8.916 186 HG11 VAL 24 HG11 VAL 24 5.929 -3.329 9.481 187 HG12 VAL 24 HG12 VAL 24 4.730 -4.624 9.247 188 HG13 VAL 24 HG13 VAL 24 5.074 -3.480 7.927 189 HG21 VAL 24 HG21 VAL 24 2.578 -4.179 8.718 190 HG22 VAL 24 HG22 VAL 24 2.145 -3.633 10.356 191 HG23 VAL 24 HG23 VAL 24 1.805 -2.593 8.952 192 HA PRO 25 HA PRO 25 6.965 0.432 12.729 193 HB2 PRO 25 HB2 PRO 25 7.710 -1.977 14.449 194 HB3 PRO 25 HB3 PRO 25 7.759 -0.223 14.825 195 HG2 PRO 25 HG2 PRO 25 5.382 -1.597 15.691 196 HG3 PRO 25 HG3 PRO 25 5.723 -0.042 14.863 197 HD2 PRO 25 HD2 PRO 25 4.865 -2.738 13.649 198 HD3 PRO 25 HD3 PRO 25 4.042 -1.156 13.499 199 H ASP 26 H ASP 26 7.273 -2.974 11.658 200 HA ASP 26 HA ASP 26 10.059 -2.735 11.222 201 HB2 ASP 26 HB2 ASP 26 8.955 -4.919 11.636 202 HB3 ASP 26 HB3 ASP 26 7.991 -4.729 10.185 203 HD2 ASP 26 HD2 ASP 26 9.107 -6.838 10.127 204 H CYS 27 H CYS 27 10.851 -1.438 9.556 205 HA CYS 27 HA CYS 27 9.130 -0.797 7.348 206 HB2 CYS 27 HB2 CYS 27 12.005 0.026 7.510 207 HB3 CYS 27 HB3 CYS 27 10.642 0.870 6.803 208 H LYS 28 H LYS 28 11.483 -3.187 8.230 209 HA LYS 28 HA LYS 28 12.505 -3.641 5.602 210 HB2 LYS 28 HB2 LYS 28 12.628 -5.359 8.099 211 HB3 LYS 28 HB3 LYS 28 13.559 -5.609 6.636 212 HG2 LYS 28 HG2 LYS 28 14.003 -2.894 7.279 213 HG3 LYS 28 HG3 LYS 28 14.019 -3.708 8.831 214 HD2 LYS 28 HD2 LYS 28 15.500 -5.398 7.086 215 HD3 LYS 28 HD3 LYS 28 16.020 -3.770 6.700 216 HE2 LYS 28 HE2 LYS 28 17.470 -4.370 8.467 217 HE3 LYS 28 HE3 LYS 28 16.239 -3.430 9.286 218 HZ1 LYS 28 HZ1 LYS 28 15.451 -6.156 9.157 219 HZ2 LYS 28 HZ2 LYS 28 16.930 -6.053 9.831 220 H LYS 29 H LYS 29 9.475 -4.080 6.992 221 HA LYS 29 HA LYS 29 8.842 -6.659 6.047 222 HB2 LYS 29 HB2 LYS 29 7.437 -4.359 7.253 223 HB3 LYS 29 HB3 LYS 29 6.448 -5.332 6.182 224 HG2 LYS 29 HG2 LYS 29 8.176 -6.542 8.387 225 HG3 LYS 29 HG3 LYS 29 6.505 -6.076 8.640 226 HD2 LYS 29 HD2 LYS 29 6.485 -7.608 6.248 227 HD3 LYS 29 HD3 LYS 29 7.577 -8.460 7.321 228 HE2 LYS 29 HE2 LYS 29 4.982 -7.483 8.496 229 HE3 LYS 29 HE3 LYS 29 4.899 -8.840 7.391 230 HZ1 LYS 29 HZ1 LYS 29 6.347 -8.696 9.959 231 HZ2 LYS 29 HZ2 LYS 29 5.277 -9.821 9.468 232 H CYS 30 H CYS 30 8.225 -3.333 4.727 233 HA CYS 30 HA CYS 30 7.461 -4.570 2.217 234 HB2 CYS 30 HB2 CYS 30 7.449 -1.614 2.876 235 HB3 CYS 30 HB3 CYS 30 6.605 -2.430 1.575 236 H HIS 31 H HIS 31 9.743 -2.074 3.560 237 HA HIS 31 HA HIS 31 11.195 -1.918 1.129 238 HB2 HIS 31 HB2 HIS 31 11.863 -0.950 3.923 239 HB3 HIS 31 HB3 HIS 31 12.764 -0.541 2.477 240 HD1 HIS 31 HD1 HIS 31 11.007 0.547 0.484 241 HD2 HIS 31 HD2 HIS 31 10.049 0.979 4.545 242 HE1 HIS 31 HE1 HIS 31 9.369 2.498 0.628 243 H GLU 32 H GLU 32 12.139 -3.801 0.419 244 HA GLU 32 HA GLU 32 13.331 -5.562 2.312 245 HB2 GLU 32 HB2 GLU 32 12.726 -5.567 -0.607 246 HB3 GLU 32 HB3 GLU 32 14.133 -6.503 -0.143 247 HG2 GLU 32 HG2 GLU 32 12.082 -7.068 1.788 248 HG3 GLU 32 HG3 GLU 32 11.332 -7.159 0.207 249 HE2 GLU 32 HE2 GLU 32 13.809 -8.694 2.162 250 H LYS 33 H LYS 33 14.480 -3.426 -0.387 251 HA LYS 33 HA LYS 33 17.218 -3.860 0.490 252 HB2 LYS 33 HB2 LYS 33 16.047 -2.428 -1.912 253 HB3 LYS 33 HB3 LYS 33 17.761 -2.540 -1.566 254 HG2 LYS 33 HG2 LYS 33 16.853 -5.198 -1.322 255 HG3 LYS 33 HG3 LYS 33 15.949 -4.572 -2.687 256 HD2 LYS 33 HD2 LYS 33 18.931 -4.057 -2.512 257 HD3 LYS 33 HD3 LYS 33 18.357 -5.619 -3.060 258 HE2 LYS 33 HE2 LYS 33 16.999 -3.287 -4.331 259 HE3 LYS 33 HE3 LYS 33 18.708 -3.422 -4.697 260 HZ1 LYS 33 HZ1 LYS 33 17.615 -5.986 -4.912 261 HZ2 LYS 33 HZ2 LYS 33 16.604 -4.993 -5.716 262 H GLY 34 H GLY 34 15.302 -2.505 2.270 263 HA2 GLY 34 HA2 GLY 34 15.618 -0.819 3.776 264 HA3 GLY 34 HA3 GLY 34 16.889 -0.142 2.779 265 HA PRO 35 HA PRO 35 12.797 2.340 2.708 266 HB2 PRO 35 HB2 PRO 35 14.175 4.707 3.322 267 HB3 PRO 35 HB3 PRO 35 13.372 3.635 4.515 268 HG2 PRO 35 HG2 PRO 35 16.163 3.630 3.588 269 HG3 PRO 35 HG3 PRO 35 15.917 3.556 5.364 270 HD2 PRO 35 HD2 PRO 35 16.353 1.257 4.290 271 HD3 PRO 35 HD3 PRO 35 14.738 1.366 5.055 272 H GLY 36 H GLY 36 12.189 3.502 0.821 273 HA2 GLY 36 HA2 GLY 36 13.283 5.153 -0.804 274 HA3 GLY 36 HA3 GLY 36 14.351 3.810 -1.160 275 H LYS 37 H LYS 37 13.156 4.518 -3.360 276 HA LYS 37 HA LYS 37 10.520 3.715 -3.765 277 HB2 LYS 37 HB2 LYS 37 12.879 4.330 -5.496 278 HB3 LYS 37 HB3 LYS 37 11.520 3.504 -6.229 279 HG2 LYS 37 HG2 LYS 37 10.537 5.542 -6.441 280 HG3 LYS 37 HG3 LYS 37 10.281 5.503 -4.708 281 HD2 LYS 37 HD2 LYS 37 11.663 7.284 -4.486 282 HD3 LYS 37 HD3 LYS 37 12.995 6.301 -5.060 283 HE2 LYS 37 HE2 LYS 37 13.101 7.705 -6.848 284 HE3 LYS 37 HE3 LYS 37 11.641 6.928 -7.427 285 HZ1 LYS 37 HZ1 LYS 37 11.660 9.299 -5.635 286 HZ2 LYS 37 HZ2 LYS 37 11.397 9.361 -7.241 287 H ILE 38 H ILE 38 9.614 1.806 -4.709 288 HA ILE 38 HA ILE 38 11.289 -0.546 -4.203 289 HB ILE 38 HB ILE 38 8.285 -0.239 -4.255 290 HG12 ILE 38 HG12 ILE 38 10.109 -0.773 -1.895 291 HG13 ILE 38 HG13 ILE 38 9.501 0.816 -2.317 292 HG21 ILE 38 HG21 ILE 38 9.851 -2.676 -3.399 293 HG22 ILE 38 HG22 ILE 38 8.099 -2.517 -3.668 294 HG23 ILE 38 HG23 ILE 38 9.220 -2.461 -5.049 295 HD11 ILE 38 HD11 ILE 38 8.202 -0.939 -0.649 296 HD12 ILE 38 HD12 ILE 38 7.388 0.356 -1.558 297 HD13 ILE 38 HD13 ILE 38 7.413 -1.303 -2.202 298 H GLU 39 H GLU 39 12.105 -1.567 -5.944 299 HA GLU 39 HA GLU 39 11.041 -0.871 -8.511 300 HB2 GLU 39 HB2 GLU 39 13.526 -2.093 -7.443 301 HB3 GLU 39 HB3 GLU 39 13.004 -2.769 -8.973 302 HG2 GLU 39 HG2 GLU 39 12.728 -0.299 -9.769 303 HG3 GLU 39 HG3 GLU 39 13.648 0.138 -8.343 304 HE2 GLU 39 HE2 GLU 39 14.498 -2.148 -11.260 305 H GLY 40 H GLY 40 9.693 -2.126 -9.763 306 HA2 GLY 40 HA2 GLY 40 9.063 -4.297 -10.548 307 HA3 GLY 40 HA3 GLY 40 9.302 -4.933 -8.933 308 H PHE 41 H PHE 41 8.032 -2.819 -7.414 309 HA PHE 41 HA PHE 41 5.565 -3.635 -7.042 310 HB2 PHE 41 HB2 PHE 41 6.817 -1.694 -5.942 311 HB3 PHE 41 HB3 PHE 41 6.447 -0.699 -7.336 312 HD1 PHE 41 HD1 PHE 41 4.718 -2.753 -4.743 313 HD2 PHE 41 HD2 PHE 41 4.571 0.652 -7.271 314 HE1 PHE 41 HE1 PHE 41 2.563 -2.047 -3.668 315 HE2 PHE 41 HE2 PHE 41 2.416 1.358 -6.196 316 HZ PHE 41 HZ PHE 41 1.438 0.000 -4.407 317 H GLY 42 H GLY 42 3.393 -3.124 -7.742 318 HA2 GLY 42 HA2 GLY 42 2.730 -1.445 -9.855 319 HA3 GLY 42 HA3 GLY 42 3.107 -3.006 -10.557 320 H LYS 43 H LYS 43 0.787 -3.066 -11.191 321 HA LYS 43 HA LYS 43 -1.281 -3.000 -9.342 322 HB2 LYS 43 HB2 LYS 43 -1.337 -2.914 -11.909 323 HB3 LYS 43 HB3 LYS 43 -1.277 -4.664 -11.864 324 HG2 LYS 43 HG2 LYS 43 -3.257 -4.149 -9.998 325 HG3 LYS 43 HG3 LYS 43 -3.499 -2.826 -11.121 326 HD2 LYS 43 HD2 LYS 43 -3.085 -5.097 -12.767 327 HD3 LYS 43 HD3 LYS 43 -4.102 -5.674 -11.462 328 HE2 LYS 43 HE2 LYS 43 -5.795 -3.999 -11.906 329 HE3 LYS 43 HE3 LYS 43 -4.729 -3.098 -12.965 330 HZ1 LYS 43 HZ1 LYS 43 -5.242 -5.877 -13.704 331 HZ2 LYS 43 HZ2 LYS 43 -6.481 -4.840 -13.901 332 H GLU 44 H GLU 44 -0.218 -6.043 -10.993 333 HA GLU 44 HA GLU 44 -1.309 -7.818 -9.413 334 HB2 GLU 44 HB2 GLU 44 1.420 -7.791 -10.713 335 HB3 GLU 44 HB3 GLU 44 0.943 -9.179 -9.755 336 HG2 GLU 44 HG2 GLU 44 0.395 -9.075 -12.363 337 HG3 GLU 44 HG3 GLU 44 -0.727 -9.822 -11.243 338 HE2 GLU 44 HE2 GLU 44 -1.828 -6.573 -13.203 339 H MET 45 H MET 45 1.565 -5.850 -8.574 340 HA MET 45 HA MET 45 2.154 -7.284 -6.235 341 HB2 MET 45 HB2 MET 45 3.362 -5.296 -7.766 342 HB3 MET 45 HB3 MET 45 2.855 -4.373 -6.365 343 HG2 MET 45 HG2 MET 45 4.536 -6.928 -6.273 344 HG3 MET 45 HG3 MET 45 5.161 -5.301 -6.085 345 HE1 MET 45 HE1 MET 45 6.233 -5.621 -3.955 346 HE2 MET 45 HE2 MET 45 5.489 -6.144 -2.425 347 HE3 MET 45 HE3 MET 45 5.793 -7.329 -3.718 348 H ALA 46 H ALA 46 0.603 -4.032 -6.770 349 HA ALA 46 HA ALA 46 -0.006 -3.482 -4.155 350 HB1 ALA 46 HB1 ALA 46 -0.754 -1.655 -5.223 351 HB2 ALA 46 HB2 ALA 46 -0.656 -2.513 -6.780 352 HB3 ALA 46 HB3 ALA 46 -2.153 -2.581 -5.819 353 H HIS 47 H HIS 47 -2.019 -5.244 -6.612 354 HA HIS 47 HA HIS 47 -4.039 -5.815 -4.716 355 HB2 HIS 47 HB2 HIS 47 -3.467 -7.063 -7.419 356 HB3 HIS 47 HB3 HIS 47 -4.942 -7.267 -6.495 357 HD1 HIS 47 HD1 HIS 47 -4.723 -5.931 -9.394 358 HD2 HIS 47 HD2 HIS 47 -5.081 -3.895 -5.744 359 HE1 HIS 47 HE1 HIS 47 -5.706 -3.642 -9.946 360 H GLY 48 H GLY 48 -1.059 -7.417 -5.844 361 HA2 GLY 48 HA2 GLY 48 -1.651 -9.955 -4.668 362 HA3 GLY 48 HA3 GLY 48 -0.110 -9.392 -5.285 363 H LYS 49 H LYS 49 1.368 -9.720 -3.662 364 HA LYS 49 HA LYS 49 0.571 -9.222 -0.928 365 HB2 LYS 49 HB2 LYS 49 2.623 -10.284 -0.326 366 HB3 LYS 49 HB3 LYS 49 1.884 -11.235 -1.598 367 HG2 LYS 49 HG2 LYS 49 3.619 -9.157 -2.727 368 HG3 LYS 49 HG3 LYS 49 4.502 -10.151 -1.586 369 HD2 LYS 49 HD2 LYS 49 3.957 -12.185 -2.784 370 HD3 LYS 49 HD3 LYS 49 2.754 -11.369 -3.765 371 HE2 LYS 49 HE2 LYS 49 4.794 -9.850 -4.529 372 HE3 LYS 49 HE3 LYS 49 5.775 -11.174 -3.930 373 HZ1 LYS 49 HZ1 LYS 49 4.687 -11.103 -6.394 374 HZ2 LYS 49 HZ2 LYS 49 5.143 -12.481 -5.656 375 H GLY 50 H GLY 50 0.431 -6.915 -2.598 376 HA2 GLY 50 HA2 GLY 50 2.807 -5.375 -1.760 377 HA3 GLY 50 HA3 GLY 50 1.744 -4.983 -3.097 378 H CYS 51 H CYS 51 -0.809 -5.138 -2.124 379 HA CYS 51 HA CYS 51 -0.754 -3.389 0.226 380 HB2 CYS 51 HB2 CYS 51 -2.511 -3.107 -2.221 381 HB3 CYS 51 HB3 CYS 51 -2.688 -2.182 -0.743 382 H LYS 52 H LYS 52 -3.506 -4.618 -1.755 383 HA LYS 52 HA LYS 52 -5.099 -5.397 0.269 384 HB2 LYS 52 HB2 LYS 52 -4.758 -6.445 -2.535 385 HB3 LYS 52 HB3 LYS 52 -5.952 -7.146 -1.461 386 HG2 LYS 52 HG2 LYS 52 -6.447 -4.466 -1.069 387 HG3 LYS 52 HG3 LYS 52 -5.896 -4.444 -2.732 388 HD2 LYS 52 HD2 LYS 52 -7.889 -6.569 -1.970 389 HD3 LYS 52 HD3 LYS 52 -8.475 -4.920 -2.074 390 HE2 LYS 52 HE2 LYS 52 -8.551 -5.084 -4.333 391 HE3 LYS 52 HE3 LYS 52 -6.819 -5.346 -4.378 392 HZ1 LYS 52 HZ1 LYS 52 -7.533 -7.771 -3.710 393 HZ2 LYS 52 HZ2 LYS 52 -8.959 -7.353 -4.376 394 H GLY 53 H GLY 53 -2.550 -7.415 -1.328 395 HA2 GLY 53 HA2 GLY 53 -2.768 -9.821 -0.281 396 HA3 GLY 53 HA3 GLY 53 -1.228 -8.986 -0.318 397 H CYS 54 H CYS 54 -0.937 -7.304 1.602 398 HA CYS 54 HA CYS 54 -0.868 -8.752 3.936 399 HB2 CYS 54 HB2 CYS 54 0.453 -6.657 3.312 400 HB3 CYS 54 HB3 CYS 54 -0.943 -5.727 3.816 401 H HIS 55 H HIS 55 -3.248 -6.318 2.705 402 HA HIS 55 HA HIS 55 -4.812 -6.112 4.947 403 HB2 HIS 55 HB2 HIS 55 -5.508 -5.955 2.007 404 HB3 HIS 55 HB3 HIS 55 -6.654 -5.574 3.276 405 HD1 HIS 55 HD1 HIS 55 -6.331 -3.211 1.707 406 HD2 HIS 55 HD2 HIS 55 -3.400 -4.208 4.538 407 HE1 HIS 55 HE1 HIS 55 -5.051 -1.059 2.201 408 H GLU 56 H GLU 56 -5.711 -8.123 2.054 409 HA GLU 56 HA GLU 56 -7.629 -9.556 3.362 410 HB2 GLU 56 HB2 GLU 56 -6.901 -11.351 1.490 411 HB3 GLU 56 HB3 GLU 56 -7.770 -9.883 1.089 412 HG2 GLU 56 HG2 GLU 56 -5.888 -8.840 0.178 413 HG3 GLU 56 HG3 GLU 56 -4.768 -9.706 1.210 414 HE2 GLU 56 HE2 GLU 56 -3.691 -11.503 -0.850 415 H GLU 57 H GLU 57 -4.153 -9.750 3.620 416 HA GLU 57 HA GLU 57 -3.938 -12.432 4.325 417 HB2 GLU 57 HB2 GLU 57 -2.241 -10.061 4.255 418 HB3 GLU 57 HB3 GLU 57 -1.915 -10.991 5.704 419 HG2 GLU 57 HG2 GLU 57 -1.790 -11.956 2.817 420 HG3 GLU 57 HG3 GLU 57 -0.470 -11.855 3.964 421 HE2 GLU 57 HE2 GLU 57 -2.568 -14.158 2.731 422 H MET 58 H MET 58 -4.194 -9.422 6.344 423 HA MET 58 HA MET 58 -4.629 -11.115 8.648 424 HB2 MET 58 HB2 MET 58 -4.328 -8.074 8.344 425 HB3 MET 58 HB3 MET 58 -4.451 -8.903 9.883 426 HG2 MET 58 HG2 MET 58 -2.361 -10.091 8.179 427 HG3 MET 58 HG3 MET 58 -2.078 -8.383 8.451 428 HE1 MET 58 HE1 MET 58 -2.861 -7.398 10.698 429 HE2 MET 58 HE2 MET 58 -2.352 -8.063 12.268 430 HE3 MET 58 HE3 MET 58 -1.131 -7.495 11.104 431 H LYS 59 H LYS 59 -6.478 -9.824 6.184 432 HA LYS 59 HA LYS 59 -8.665 -9.611 5.920 433 HB2 LYS 59 HB2 LYS 59 -8.495 -11.083 8.431 434 HB3 LYS 59 HB3 LYS 59 -9.915 -10.057 8.380 435 HG2 LYS 59 HG2 LYS 59 -9.111 -12.007 6.168 436 HG3 LYS 59 HG3 LYS 59 -10.307 -12.347 7.403 437 HD2 LYS 59 HD2 LYS 59 -11.062 -9.830 6.322 438 HD3 LYS 59 HD3 LYS 59 -10.591 -10.795 4.937 439 HE2 LYS 59 HE2 LYS 59 -12.465 -11.881 7.081 440 HE3 LYS 59 HE3 LYS 59 -13.064 -10.959 5.716 441 HZ1 LYS 59 HZ1 LYS 59 -11.794 -13.609 5.695 442 HZ2 LYS 59 HZ2 LYS 59 -13.131 -13.115 4.908 443 H LYS 60 H LYS 60 -6.656 -7.623 7.418 444 HA LYS 60 HA LYS 60 -8.756 -5.741 8.235 445 HB2 LYS 60 HB2 LYS 60 -5.819 -5.740 8.990 446 HB3 LYS 60 HB3 LYS 60 -7.046 -4.633 9.573 447 HG2 LYS 60 HG2 LYS 60 -7.937 -7.385 9.959 448 HG3 LYS 60 HG3 LYS 60 -6.346 -7.174 10.662 449 HD2 LYS 60 HD2 LYS 60 -7.596 -6.428 12.458 450 HD3 LYS 60 HD3 LYS 60 -7.460 -4.904 11.603 451 HE2 LYS 60 HE2 LYS 60 -9.659 -5.501 10.408 452 HE3 LYS 60 HE3 LYS 60 -9.809 -6.851 11.515 453 HZ1 LYS 60 HZ1 LYS 60 -10.971 -5.013 12.467 454 HZ2 LYS 60 HZ2 LYS 60 -9.615 -5.162 13.356 455 H GLY 61 H GLY 61 -8.701 -3.584 7.420 456 HA2 GLY 61 HA2 GLY 61 -7.876 -1.887 6.075 457 HA3 GLY 61 HA3 GLY 61 -6.750 -3.000 5.324 458 HA PRO 62 HA PRO 62 -10.712 -2.244 2.761 459 HB2 PRO 62 HB2 PRO 62 -9.514 -0.707 0.795 460 HB3 PRO 62 HB3 PRO 62 -10.249 -0.026 2.283 461 HG2 PRO 62 HG2 PRO 62 -7.508 -0.735 1.678 462 HG3 PRO 62 HG3 PRO 62 -7.938 0.844 2.414 463 HD2 PRO 62 HD2 PRO 62 -6.997 -1.090 3.993 464 HD3 PRO 62 HD3 PRO 62 -8.482 -0.239 4.515 465 H THR 63 H THR 63 -11.058 -4.094 1.535 466 HA THR 63 HA THR 63 -8.782 -4.994 -0.107 467 HB THR 63 HB THR 63 -9.568 -7.311 0.400 468 HG1 THR 63 HG1 THR 63 -11.708 -7.223 0.996 469 HG21 THR 63 HG21 THR 63 -8.966 -5.425 2.696 470 HG22 THR 63 HG22 THR 63 -9.453 -7.098 3.059 471 HG23 THR 63 HG23 THR 63 -7.997 -6.786 2.084 472 H LYS 64 H LYS 64 -11.915 -3.698 -0.052 473 HA LYS 64 HA LYS 64 -12.642 -5.035 -2.544 474 HB2 LYS 64 HB2 LYS 64 -14.282 -3.151 -0.827 475 HB3 LYS 64 HB3 LYS 64 -14.852 -4.099 -2.185 476 HG2 LYS 64 HG2 LYS 64 -13.487 -5.851 -0.307 477 HG3 LYS 64 HG3 LYS 64 -14.677 -4.898 0.558 478 HD2 LYS 64 HD2 LYS 64 -16.246 -5.552 -1.508 479 HD3 LYS 64 HD3 LYS 64 -15.099 -6.863 -1.701 480 HE2 LYS 64 HE2 LYS 64 -15.532 -7.016 1.005 481 HE3 LYS 64 HE3 LYS 64 -17.082 -6.381 0.489 482 HZ1 LYS 64 HZ1 LYS 64 -16.058 -9.010 0.135 483 HZ2 LYS 64 HZ2 LYS 64 -17.577 -8.476 -0.110 484 H CYS 65 H CYS 65 -13.371 -3.698 -4.392 485 HA CYS 65 HA CYS 65 -11.467 -1.694 -4.919 486 HB2 CYS 65 HB2 CYS 65 -13.907 -1.890 -6.603 487 HB3 CYS 65 HB3 CYS 65 -12.224 -1.732 -7.066 488 H GLY 66 H GLY 66 -12.059 0.604 -5.550 489 HA2 GLY 66 HA2 GLY 66 -13.323 2.510 -5.369 490 HA3 GLY 66 HA3 GLY 66 -14.553 1.636 -4.477 491 H GLU 67 H GLU 67 -12.687 0.408 -2.523 492 HA GLU 67 HA GLU 67 -12.656 2.568 -0.714 493 HB2 GLU 67 HB2 GLU 67 -12.760 -0.186 -0.498 494 HB3 GLU 67 HB3 GLU 67 -11.115 0.134 0.012 495 HG2 GLU 67 HG2 GLU 67 -11.980 1.845 1.647 496 HG3 GLU 67 HG3 GLU 67 -13.619 1.455 1.163 497 HE2 GLU 67 HE2 GLU 67 -14.167 -1.152 1.922 498 H CYS 68 H CYS 68 -10.418 1.305 -3.060 499 HA CYS 68 HA CYS 68 -8.234 2.741 -1.739 500 HB2 CYS 68 HB2 CYS 68 -8.344 0.166 -3.091 501 HB3 CYS 68 HB3 CYS 68 -7.153 1.214 -3.836 502 H HIS 69 H HIS 69 -9.861 2.000 -4.898 503 HA HIS 69 HA HIS 69 -8.531 4.262 -6.108 504 HB2 HIS 69 HB2 HIS 69 -10.494 2.254 -7.250 505 HB3 HIS 69 HB3 HIS 69 -9.659 3.491 -8.168 506 HD1 HIS 69 HD1 HIS 69 -6.887 3.281 -8.050 507 HD2 HIS 69 HD2 HIS 69 -9.147 -0.126 -7.112 508 HE1 HIS 69 HE1 HIS 69 -5.303 1.292 -8.264 509 H LYS 70 H LYS 70 -9.341 6.202 -5.395 510 HA LYS 70 HA LYS 70 -12.266 6.464 -5.461 511 HB2 LYS 70 HB2 LYS 70 -10.179 7.720 -3.679 512 HB3 LYS 70 HB3 LYS 70 -11.757 8.450 -3.890 513 HG2 LYS 70 HG2 LYS 70 -12.329 5.725 -3.443 514 HG3 LYS 70 HG3 LYS 70 -11.001 6.058 -2.350 515 HD2 LYS 70 HD2 LYS 70 -13.045 8.204 -2.379 516 HD3 LYS 70 HD3 LYS 70 -13.686 6.654 -1.871 517 HE2 LYS 70 HE2 LYS 70 -11.202 6.861 -0.528 518 HE3 LYS 70 HE3 LYS 70 -11.881 8.474 -0.437 519 HZ1 LYS 70 HZ1 LYS 70 -13.502 6.092 0.247 520 HZ2 LYS 70 HZ2 LYS 70 -12.585 6.844 1.363 521 H LYS 71 H LYS 71 -13.000 7.540 -7.205 522 HA LYS 71 HA LYS 71 -11.158 9.087 -8.769 523 HB2 LYS 71 HB2 LYS 71 -13.050 7.518 -9.584 524 HB3 LYS 71 HB3 LYS 71 -14.130 8.853 -9.233 525 HG2 LYS 71 HG2 LYS 71 -12.313 10.254 -10.628 526 HG3 LYS 71 HG3 LYS 71 -11.932 8.680 -11.297 527 HD2 LYS 71 HD2 LYS 71 -14.573 8.492 -11.603 528 HD3 LYS 71 HD3 LYS 71 -14.521 10.239 -11.480 529 HE2 LYS 71 HE2 LYS 71 -12.509 8.999 -13.325 530 HE3 LYS 71 HE3 LYS 71 -14.183 8.884 -13.832 531 HZ1 LYS 71 HZ1 LYS 71 -14.385 11.236 -13.804 532 HZ2 LYS 71 HZ2 LYS 71 -13.007 11.463 -12.968 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 3.042 14.321 3.524 2 HA ALA 1 HA ALA 1 5.664 13.148 2.905 3 HB1 ALA 1 HB1 ALA 1 5.701 12.812 5.449 4 HB2 ALA 1 HB2 ALA 1 5.834 14.489 4.866 5 HB3 ALA 1 HB3 ALA 1 4.284 13.889 5.505 6 H ASP 2 H ASP 2 4.072 11.755 5.592 7 HA ASP 2 HA ASP 2 4.084 9.258 4.766 8 HB2 ASP 2 HB2 ASP 2 1.539 9.948 6.156 9 HB3 ASP 2 HB3 ASP 2 2.781 8.800 6.617 10 HD2 ASP 2 HD2 ASP 2 4.783 9.935 7.558 11 H ASP 3 H ASP 3 1.719 11.797 3.897 12 HA ASP 3 HA ASP 3 -0.154 10.026 2.768 13 HB2 ASP 3 HB2 ASP 3 -0.048 12.801 1.702 14 HB3 ASP 3 HB3 ASP 3 -1.398 11.931 2.405 15 HD2 ASP 3 HD2 ASP 3 1.069 14.254 3.251 16 H ILE 4 H ILE 4 0.193 8.917 0.839 17 HA ILE 4 HA ILE 4 1.738 10.306 -1.232 18 HB ILE 4 HB ILE 4 1.984 7.402 -0.438 19 HG12 ILE 4 HG12 ILE 4 3.769 9.802 -0.027 20 HG13 ILE 4 HG13 ILE 4 3.165 8.672 1.168 21 HG21 ILE 4 HG21 ILE 4 3.640 8.821 -2.518 22 HG22 ILE 4 HG22 ILE 4 3.456 7.076 -2.223 23 HG23 ILE 4 HG23 ILE 4 2.113 8.004 -2.931 24 HD11 ILE 4 HD11 ILE 4 4.468 6.847 -0.178 25 HD12 ILE 4 HD12 ILE 4 5.311 8.224 -0.930 26 HD13 ILE 4 HD13 ILE 4 5.404 7.976 0.830 27 H VAL 5 H VAL 5 0.710 10.425 -3.168 28 HA VAL 5 HA VAL 5 -1.783 8.911 -3.383 29 HB VAL 5 HB VAL 5 -0.742 11.355 -4.829 30 HG11 VAL 5 HG11 VAL 5 -2.113 10.195 -6.390 31 HG12 VAL 5 HG12 VAL 5 -3.323 9.799 -5.146 32 HG13 VAL 5 HG13 VAL 5 -3.127 11.482 -5.693 33 HG21 VAL 5 HG21 VAL 5 -1.510 11.485 -2.358 34 HG22 VAL 5 HG22 VAL 5 -2.188 12.648 -3.522 35 HG23 VAL 5 HG23 VAL 5 -3.147 11.238 -3.010 36 H LEU 6 H LEU 6 -1.831 7.117 -4.626 37 HA LEU 6 HA LEU 6 0.383 6.738 -6.490 38 HB2 LEU 6 HB2 LEU 6 -1.625 4.809 -5.319 39 HB3 LEU 6 HB3 LEU 6 -0.396 4.377 -6.490 40 HG LEU 6 HG LEU 6 0.290 5.600 -3.812 41 HD11 LEU 6 HD11 LEU 6 -0.782 3.699 -3.066 42 HD12 LEU 6 HD12 LEU 6 -0.342 2.750 -4.507 43 HD13 LEU 6 HD13 LEU 6 0.887 3.117 -3.273 44 HD21 LEU 6 HD21 LEU 6 1.837 5.201 -6.048 45 HD22 LEU 6 HD22 LEU 6 2.437 5.352 -4.379 46 HD23 LEU 6 HD23 LEU 6 2.166 3.740 -5.084 47 H LYS 7 H LYS 7 -0.149 7.911 -8.322 48 HA LYS 7 HA LYS 7 -2.665 8.278 -9.342 49 HB2 LYS 7 HB2 LYS 7 -1.544 8.840 -11.436 50 HB3 LYS 7 HB3 LYS 7 -0.697 9.525 -10.064 51 HG2 LYS 7 HG2 LYS 7 0.270 6.816 -10.727 52 HG3 LYS 7 HG3 LYS 7 0.431 7.923 -12.076 53 HD2 LYS 7 HD2 LYS 7 2.327 8.685 -11.083 54 HD3 LYS 7 HD3 LYS 7 1.294 9.463 -9.899 55 HE2 LYS 7 HE2 LYS 7 1.371 6.848 -8.951 56 HE3 LYS 7 HE3 LYS 7 2.978 7.030 -9.625 57 HZ1 LYS 7 HZ1 LYS 7 2.734 9.339 -8.298 58 HZ2 LYS 7 HZ2 LYS 7 1.803 8.399 -7.349 59 H ALA 8 H ALA 8 -4.100 7.118 -10.585 60 HA ALA 8 HA ALA 8 -3.199 4.611 -11.736 61 HB1 ALA 8 HB1 ALA 8 -5.713 4.266 -10.266 62 HB2 ALA 8 HB2 ALA 8 -4.258 3.240 -10.290 63 HB3 ALA 8 HB3 ALA 8 -4.343 4.639 -9.192 64 H LYS 9 H LYS 9 -4.322 4.112 -13.615 65 HA LYS 9 HA LYS 9 -5.954 6.201 -14.662 66 HB2 LYS 9 HB2 LYS 9 -5.984 4.826 -16.687 67 HB3 LYS 9 HB3 LYS 9 -4.357 5.027 -16.070 68 HG2 LYS 9 HG2 LYS 9 -4.411 2.790 -15.042 69 HG3 LYS 9 HG3 LYS 9 -6.099 2.592 -15.468 70 HD2 LYS 9 HD2 LYS 9 -5.016 3.175 -17.938 71 HD3 LYS 9 HD3 LYS 9 -3.669 2.348 -17.182 72 HE2 LYS 9 HE2 LYS 9 -4.783 0.315 -17.080 73 HE3 LYS 9 HE3 LYS 9 -6.348 1.058 -16.815 74 HZ1 LYS 9 HZ1 LYS 9 -6.684 1.300 -19.062 75 HZ2 LYS 9 HZ2 LYS 9 -5.109 1.494 -19.430 76 H ASN 10 H ASN 10 -6.589 3.843 -12.408 77 HA ASN 10 HA ASN 10 -9.348 3.667 -13.338 78 HB2 ASN 10 HB2 ASN 10 -7.628 1.517 -12.938 79 HB3 ASN 10 HB3 ASN 10 -8.414 1.618 -11.375 80 HD21 ASN 10 HD21 ASN 10 -9.998 0.237 -11.238 81 HD22 ASN 10 HD22 ASN 10 -11.183 -0.134 -12.446 82 H GLY 11 H GLY 11 -7.933 5.715 -11.634 83 HA2 GLY 11 HA2 GLY 11 -9.036 6.907 -9.909 84 HA3 GLY 11 HA3 GLY 11 -9.555 5.393 -9.195 85 H ASP 12 H ASP 12 -7.507 7.922 -8.696 86 HA ASP 12 HA ASP 12 -5.068 6.769 -8.174 87 HB2 ASP 12 HB2 ASP 12 -4.639 8.748 -6.793 88 HB3 ASP 12 HB3 ASP 12 -5.525 9.222 -8.228 89 HD2 ASP 12 HD2 ASP 12 -6.567 8.841 -4.606 90 H VAL 13 H VAL 13 -4.100 6.270 -5.973 91 HA VAL 13 HA VAL 13 -6.153 5.339 -4.087 92 HB VAL 13 HB VAL 13 -3.506 4.042 -4.768 93 HG11 VAL 13 HG11 VAL 13 -3.830 3.394 -2.583 94 HG12 VAL 13 HG12 VAL 13 -5.603 3.508 -2.692 95 HG13 VAL 13 HG13 VAL 13 -4.753 2.129 -3.430 96 HG21 VAL 13 HG21 VAL 13 -4.565 3.086 -6.483 97 HG22 VAL 13 HG22 VAL 13 -5.644 2.288 -5.313 98 HG23 VAL 13 HG23 VAL 13 -6.105 3.853 -6.024 99 H LYS 14 H LYS 14 -6.088 6.456 -2.214 100 HA LYS 14 HA LYS 14 -3.722 8.007 -1.628 101 HB2 LYS 14 HB2 LYS 14 -6.130 8.839 -1.459 102 HB3 LYS 14 HB3 LYS 14 -6.282 7.845 -0.024 103 HG2 LYS 14 HG2 LYS 14 -4.110 9.959 -0.405 104 HG3 LYS 14 HG3 LYS 14 -5.619 10.254 0.436 105 HD2 LYS 14 HD2 LYS 14 -4.982 8.189 1.910 106 HD3 LYS 14 HD3 LYS 14 -3.375 8.360 1.232 107 HE2 LYS 14 HE2 LYS 14 -2.976 9.882 2.876 108 HE3 LYS 14 HE3 LYS 14 -4.001 10.983 1.977 109 HZ1 LYS 14 HZ1 LYS 14 -4.741 9.302 4.281 110 HZ2 LYS 14 HZ2 LYS 14 -5.016 10.892 4.058 111 H PHE 15 H PHE 15 -2.028 6.936 -0.742 112 HA PHE 15 HA PHE 15 -2.668 4.870 1.233 113 HB2 PHE 15 HB2 PHE 15 -1.284 4.226 -0.757 114 HB3 PHE 15 HB3 PHE 15 -0.197 5.569 -0.463 115 HD1 PHE 15 HD1 PHE 15 -1.589 2.809 1.649 116 HD2 PHE 15 HD2 PHE 15 1.858 4.877 0.288 117 HE1 PHE 15 HE1 PHE 15 -0.141 1.327 3.064 118 HE2 PHE 15 HE2 PHE 15 3.306 3.394 1.703 119 HZ PHE 15 HZ PHE 15 2.290 1.637 3.075 120 HA PRO 16 HA PRO 16 -1.027 7.733 4.212 121 HB2 PRO 16 HB2 PRO 16 -1.899 6.391 6.419 122 HB3 PRO 16 HB3 PRO 16 -3.034 7.224 5.307 123 HG2 PRO 16 HG2 PRO 16 -2.661 4.095 5.432 124 HG3 PRO 16 HG3 PRO 16 -3.836 5.432 5.211 125 HD2 PRO 16 HD2 PRO 16 -2.195 3.987 3.205 126 HD3 PRO 16 HD3 PRO 16 -3.531 5.147 2.934 127 H HIS 17 H HIS 17 1.271 7.435 3.868 128 HA HIS 17 HA HIS 17 2.444 4.975 4.749 129 HB2 HIS 17 HB2 HIS 17 3.265 6.204 2.772 130 HB3 HIS 17 HB3 HIS 17 3.710 7.558 3.792 131 HD1 HIS 17 HD1 HIS 17 5.663 7.060 5.615 132 HD2 HIS 17 HD2 HIS 17 5.168 4.208 2.579 133 HE1 HIS 17 HE1 HIS 17 7.794 5.656 5.598 134 H LYS 18 H LYS 18 1.022 5.912 6.884 135 HA LYS 18 HA LYS 18 3.182 6.675 8.689 136 HB2 LYS 18 HB2 LYS 18 2.334 8.792 8.557 137 HB3 LYS 18 HB3 LYS 18 0.725 8.257 8.115 138 HG2 LYS 18 HG2 LYS 18 0.696 9.181 10.397 139 HG3 LYS 18 HG3 LYS 18 0.329 7.468 10.447 140 HD2 LYS 18 HD2 LYS 18 2.030 7.200 11.921 141 HD3 LYS 18 HD3 LYS 18 3.154 7.596 10.636 142 HE2 LYS 18 HE2 LYS 18 3.483 9.754 11.394 143 HE3 LYS 18 HE3 LYS 18 1.817 9.949 11.900 144 HZ1 LYS 18 HZ1 LYS 18 2.871 9.767 13.927 145 HZ2 LYS 18 HZ2 LYS 18 2.552 8.186 13.697 146 H ALA 19 H ALA 19 -0.403 6.059 8.746 147 HA ALA 19 HA ALA 19 -0.402 4.729 11.160 148 HB1 ALA 19 HB1 ALA 19 -2.187 5.082 8.834 149 HB2 ALA 19 HB2 ALA 19 -2.471 3.578 9.741 150 HB3 ALA 19 HB3 ALA 19 -2.551 5.148 10.575 151 H HIS 20 H HIS 20 0.737 3.716 7.998 152 HA HIS 20 HA HIS 20 0.547 0.925 8.592 153 HB2 HIS 20 HB2 HIS 20 1.698 2.571 6.350 154 HB3 HIS 20 HB3 HIS 20 2.083 0.866 6.479 155 HD1 HIS 20 HD1 HIS 20 -0.788 3.217 5.785 156 HD2 HIS 20 HD2 HIS 20 -0.016 -0.905 5.843 157 HE1 HIS 20 HE1 HIS 20 -2.794 2.099 4.674 158 H GLN 21 H GLN 21 2.347 3.312 9.959 159 HA GLN 21 HA GLN 21 4.818 1.809 9.949 160 HB2 GLN 21 HB2 GLN 21 4.097 4.553 11.065 161 HB3 GLN 21 HB3 GLN 21 5.680 3.822 11.243 162 HG2 GLN 21 HG2 GLN 21 6.107 3.876 8.890 163 HG3 GLN 21 HG3 GLN 21 4.414 4.093 8.494 164 HE21 GLN 21 HE21 GLN 21 6.183 5.735 7.364 165 HE22 GLN 21 HE22 GLN 21 6.101 7.339 8.012 166 H LYS 22 H LYS 22 2.458 3.257 12.306 167 HA LYS 22 HA LYS 22 3.616 1.975 14.534 168 HB2 LYS 22 HB2 LYS 22 0.970 3.348 14.038 169 HB3 LYS 22 HB3 LYS 22 1.357 2.613 15.580 170 HG2 LYS 22 HG2 LYS 22 3.485 4.380 14.444 171 HG3 LYS 22 HG3 LYS 22 2.004 5.197 14.905 172 HD2 LYS 22 HD2 LYS 22 2.589 3.361 17.020 173 HD3 LYS 22 HD3 LYS 22 4.108 4.135 16.613 174 HE2 LYS 22 HE2 LYS 22 1.614 5.829 16.927 175 HE3 LYS 22 HE3 LYS 22 2.462 5.275 18.357 176 HZ1 LYS 22 HZ1 LYS 22 4.314 6.322 16.476 177 HZ2 LYS 22 HZ2 LYS 22 3.160 7.432 16.770 178 H ALA 23 H ALA 23 1.381 0.974 12.002 179 HA ALA 23 HA ALA 23 0.394 -1.263 13.524 180 HB1 ALA 23 HB1 ALA 23 -1.146 -1.438 11.847 181 HB2 ALA 23 HB2 ALA 23 -0.623 0.226 11.492 182 HB3 ALA 23 HB3 ALA 23 0.055 -1.136 10.568 183 H VAL 24 H VAL 24 3.001 -0.489 11.247 184 HA VAL 24 HA VAL 24 3.965 -3.225 11.590 185 HB VAL 24 HB VAL 24 3.798 -1.765 8.946 186 HG11 VAL 24 HG11 VAL 24 5.831 -3.120 9.137 187 HG12 VAL 24 HG12 VAL 24 4.858 -4.533 9.610 188 HG13 VAL 24 HG13 VAL 24 4.691 -3.843 7.978 189 HG21 VAL 24 HG21 VAL 24 2.045 -3.754 10.274 190 HG22 VAL 24 HG22 VAL 24 1.671 -2.542 9.025 191 HG23 VAL 24 HG23 VAL 24 2.439 -4.082 8.569 192 HA PRO 25 HA PRO 25 6.737 0.382 12.880 193 HB2 PRO 25 HB2 PRO 25 7.460 -2.066 14.556 194 HB3 PRO 25 HB3 PRO 25 7.495 -0.322 14.974 195 HG2 PRO 25 HG2 PRO 25 5.106 -1.733 15.751 196 HG3 PRO 25 HG3 PRO 25 5.462 -0.148 14.990 197 HD2 PRO 25 HD2 PRO 25 4.585 -2.787 13.675 198 HD3 PRO 25 HD3 PRO 25 3.814 -1.177 13.540 199 H ASP 26 H ASP 26 7.113 -3.010 11.764 200 HA ASP 26 HA ASP 26 9.902 -2.685 11.356 201 HB2 ASP 26 HB2 ASP 26 8.855 -4.901 11.798 202 HB3 ASP 26 HB3 ASP 26 7.920 -4.768 10.321 203 HD2 ASP 26 HD2 ASP 26 10.824 -5.850 11.572 204 H CYS 27 H CYS 27 10.678 -1.427 9.654 205 HA CYS 27 HA CYS 27 8.933 -0.843 7.450 206 HB2 CYS 27 HB2 CYS 27 11.798 0.024 7.587 207 HB3 CYS 27 HB3 CYS 27 10.422 0.835 6.865 208 H LYS 28 H LYS 28 11.210 -3.256 8.354 209 HA LYS 28 HA LYS 28 12.272 -3.714 5.731 210 HB2 LYS 28 HB2 LYS 28 12.429 -5.272 8.325 211 HB3 LYS 28 HB3 LYS 28 13.227 -5.760 6.844 212 HG2 LYS 28 HG2 LYS 28 14.006 -3.110 7.014 213 HG3 LYS 28 HG3 LYS 28 13.896 -3.536 8.710 214 HD2 LYS 28 HD2 LYS 28 15.450 -5.392 8.432 215 HD3 LYS 28 HD3 LYS 28 15.404 -5.249 6.686 216 HE2 LYS 28 HE2 LYS 28 16.482 -3.022 6.801 217 HE3 LYS 28 HE3 LYS 28 16.443 -3.064 8.553 218 HZ1 LYS 28 HZ1 LYS 28 18.607 -3.778 7.579 219 HZ2 LYS 28 HZ2 LYS 28 17.958 -4.924 8.537 220 H LYS 29 H LYS 29 9.230 -4.080 7.047 221 HA LYS 29 HA LYS 29 8.601 -6.696 6.170 222 HB2 LYS 29 HB2 LYS 29 7.184 -4.363 7.311 223 HB3 LYS 29 HB3 LYS 29 6.208 -5.381 6.271 224 HG2 LYS 29 HG2 LYS 29 7.953 -6.541 8.484 225 HG3 LYS 29 HG3 LYS 29 6.308 -6.016 8.780 226 HD2 LYS 29 HD2 LYS 29 6.091 -7.598 6.460 227 HD3 LYS 29 HD3 LYS 29 7.276 -8.450 7.431 228 HE2 LYS 29 HE2 LYS 29 4.644 -7.473 8.616 229 HE3 LYS 29 HE3 LYS 29 4.773 -9.031 7.824 230 HZ1 LYS 29 HZ1 LYS 29 5.268 -8.757 10.392 231 HZ2 LYS 29 HZ2 LYS 29 6.088 -9.850 9.506 232 H CYS 30 H CYS 30 8.129 -3.386 4.772 233 HA CYS 30 HA CYS 30 7.342 -4.665 2.280 234 HB2 CYS 30 HB2 CYS 30 7.324 -1.696 2.872 235 HB3 CYS 30 HB3 CYS 30 6.478 -2.549 1.596 236 H HIS 31 H HIS 31 9.589 -2.122 3.600 237 HA HIS 31 HA HIS 31 11.076 -1.997 1.197 238 HB2 HIS 31 HB2 HIS 31 11.716 -1.021 3.995 239 HB3 HIS 31 HB3 HIS 31 12.637 -0.623 2.559 240 HD1 HIS 31 HD1 HIS 31 10.909 0.461 0.537 241 HD2 HIS 31 HD2 HIS 31 9.906 0.922 4.584 242 HE1 HIS 31 HE1 HIS 31 9.279 2.421 0.651 243 H GLU 32 H GLU 32 12.233 -3.708 0.453 244 HA GLU 32 HA GLU 32 13.344 -5.526 2.381 245 HB2 GLU 32 HB2 GLU 32 12.726 -5.561 -0.530 246 HB3 GLU 32 HB3 GLU 32 14.161 -6.460 -0.079 247 HG2 GLU 32 HG2 GLU 32 12.938 -7.873 1.437 248 HG3 GLU 32 HG3 GLU 32 11.548 -6.805 1.441 249 HE2 GLU 32 HE2 GLU 32 9.998 -7.304 -0.119 250 H LYS 33 H LYS 33 14.462 -3.357 -0.299 251 HA LYS 33 HA LYS 33 17.208 -3.774 0.563 252 HB2 LYS 33 HB2 LYS 33 16.041 -2.302 -1.819 253 HB3 LYS 33 HB3 LYS 33 17.753 -2.474 -1.486 254 HG2 LYS 33 HG2 LYS 33 16.802 -5.105 -1.277 255 HG3 LYS 33 HG3 LYS 33 15.852 -4.445 -2.594 256 HD2 LYS 33 HD2 LYS 33 18.713 -3.694 -2.750 257 HD3 LYS 33 HD3 LYS 33 18.461 -5.428 -2.798 258 HE2 LYS 33 HE2 LYS 33 17.173 -5.328 -4.779 259 HE3 LYS 33 HE3 LYS 33 16.720 -3.654 -4.526 260 HZ1 LYS 33 HZ1 LYS 33 18.722 -2.919 -5.365 261 HZ2 LYS 33 HZ2 LYS 33 19.569 -4.232 -4.906 262 H GLY 34 H GLY 34 15.223 -2.425 2.315 263 HA2 GLY 34 HA2 GLY 34 15.614 -0.761 3.860 264 HA3 GLY 34 HA3 GLY 34 16.786 -0.015 2.793 265 HA PRO 35 HA PRO 35 12.532 2.187 2.923 266 HB2 PRO 35 HB2 PRO 35 13.686 4.611 3.695 267 HB3 PRO 35 HB3 PRO 35 13.028 3.385 4.826 268 HG2 PRO 35 HG2 PRO 35 15.755 3.730 3.866 269 HG3 PRO 35 HG3 PRO 35 15.521 3.523 5.633 270 HD2 PRO 35 HD2 PRO 35 16.220 1.364 4.386 271 HD3 PRO 35 HD3 PRO 35 14.639 1.232 5.214 272 H GLY 36 H GLY 36 11.840 3.348 1.077 273 HA2 GLY 36 HA2 GLY 36 12.842 5.204 -0.423 274 HA3 GLY 36 HA3 GLY 36 13.960 3.932 -0.874 275 H LYS 37 H LYS 37 12.803 4.612 -3.045 276 HA LYS 37 HA LYS 37 10.163 3.780 -3.476 277 HB2 LYS 37 HB2 LYS 37 11.858 5.307 -4.846 278 HB3 LYS 37 HB3 LYS 37 12.168 3.807 -5.697 279 HG2 LYS 37 HG2 LYS 37 9.282 4.409 -5.218 280 HG3 LYS 37 HG3 LYS 37 10.101 5.524 -6.293 281 HD2 LYS 37 HD2 LYS 37 11.028 3.066 -7.211 282 HD3 LYS 37 HD3 LYS 37 9.393 2.671 -6.716 283 HE2 LYS 37 HE2 LYS 37 8.528 3.713 -8.539 284 HE3 LYS 37 HE3 LYS 37 9.350 5.207 -8.132 285 HZ1 LYS 37 HZ1 LYS 37 11.404 3.903 -9.109 286 HZ2 LYS 37 HZ2 LYS 37 10.262 3.057 -9.904 287 H ILE 38 H ILE 38 9.318 1.888 -4.505 288 HA ILE 38 HA ILE 38 11.071 -0.429 -4.112 289 HB ILE 38 HB ILE 38 8.058 -0.211 -4.154 290 HG12 ILE 38 HG12 ILE 38 9.905 -0.814 -1.828 291 HG13 ILE 38 HG13 ILE 38 9.238 0.772 -2.160 292 HG21 ILE 38 HG21 ILE 38 9.419 -2.670 -3.194 293 HG22 ILE 38 HG22 ILE 38 7.869 -2.464 -4.044 294 HG23 ILE 38 HG23 ILE 38 9.399 -2.393 -4.952 295 HD11 ILE 38 HD11 ILE 38 7.754 -1.768 -1.404 296 HD12 ILE 38 HD12 ILE 38 7.720 -0.181 -0.599 297 HD13 ILE 38 HD13 ILE 38 6.911 -0.400 -2.169 298 H GLU 39 H GLU 39 11.921 -1.341 -5.897 299 HA GLU 39 HA GLU 39 10.865 -0.544 -8.432 300 HB2 GLU 39 HB2 GLU 39 13.364 -1.700 -7.390 301 HB3 GLU 39 HB3 GLU 39 12.863 -2.462 -8.887 302 HG2 GLU 39 HG2 GLU 39 12.591 -0.154 -9.908 303 HG3 GLU 39 HG3 GLU 39 13.235 0.536 -8.432 304 HE2 GLU 39 HE2 GLU 39 15.590 0.923 -10.258 305 H GLY 40 H GLY 40 9.595 -1.771 -9.805 306 HA2 GLY 40 HA2 GLY 40 8.962 -3.885 -10.689 307 HA3 GLY 40 HA3 GLY 40 9.210 -4.614 -9.115 308 H PHE 41 H PHE 41 7.912 -2.582 -7.488 309 HA PHE 41 HA PHE 41 5.464 -3.456 -7.143 310 HB2 PHE 41 HB2 PHE 41 6.677 -1.539 -5.966 311 HB3 PHE 41 HB3 PHE 41 6.293 -0.496 -7.321 312 HD1 PHE 41 HD1 PHE 41 4.494 -2.769 -4.957 313 HD2 PHE 41 HD2 PHE 41 4.496 0.915 -7.063 314 HE1 PHE 41 HE1 PHE 41 2.327 -2.140 -3.859 315 HE2 PHE 41 HE2 PHE 41 2.329 1.544 -5.964 316 HZ PHE 41 HZ PHE 41 1.270 0.009 -4.376 317 H GLY 42 H GLY 42 3.283 -2.980 -7.823 318 HA2 GLY 42 HA2 GLY 42 2.589 -1.226 -9.875 319 HA3 GLY 42 HA3 GLY 42 2.973 -2.764 -10.622 320 H LYS 43 H LYS 43 0.658 -2.846 -11.245 321 HA LYS 43 HA LYS 43 -1.405 -2.837 -9.388 322 HB2 LYS 43 HB2 LYS 43 -1.489 -2.686 -11.943 323 HB3 LYS 43 HB3 LYS 43 -1.377 -4.435 -11.955 324 HG2 LYS 43 HG2 LYS 43 -3.363 -4.006 -10.054 325 HG3 LYS 43 HG3 LYS 43 -3.655 -2.694 -11.178 326 HD2 LYS 43 HD2 LYS 43 -3.140 -5.022 -12.768 327 HD3 LYS 43 HD3 LYS 43 -4.237 -5.524 -11.496 328 HE2 LYS 43 HE2 LYS 43 -5.891 -3.897 -12.117 329 HE3 LYS 43 HE3 LYS 43 -4.750 -2.976 -13.078 330 HZ1 LYS 43 HZ1 LYS 43 -4.938 -5.670 -14.009 331 HZ2 LYS 43 HZ2 LYS 43 -6.404 -4.961 -14.015 332 H GLU 44 H GLU 44 -0.339 -5.837 -11.111 333 HA GLU 44 HA GLU 44 -1.400 -7.653 -9.560 334 HB2 GLU 44 HB2 GLU 44 1.341 -7.587 -10.845 335 HB3 GLU 44 HB3 GLU 44 0.832 -9.006 -9.951 336 HG2 GLU 44 HG2 GLU 44 0.306 -8.677 -12.592 337 HG3 GLU 44 HG3 GLU 44 -0.726 -9.619 -11.534 338 HE2 GLU 44 HE2 GLU 44 -2.956 -7.508 -10.813 339 H MET 45 H MET 45 1.438 -5.655 -8.686 340 HA MET 45 HA MET 45 2.068 -7.139 -6.386 341 HB2 MET 45 HB2 MET 45 3.230 -5.089 -7.877 342 HB3 MET 45 HB3 MET 45 2.724 -4.218 -6.442 343 HG2 MET 45 HG2 MET 45 4.332 -6.812 -6.317 344 HG3 MET 45 HG3 MET 45 5.085 -5.230 -6.357 345 HE1 MET 45 HE1 MET 45 6.295 -5.785 -4.232 346 HE2 MET 45 HE2 MET 45 5.558 -6.045 -2.632 347 HE3 MET 45 HE3 MET 45 5.492 -7.330 -3.862 348 H ALA 46 H ALA 46 0.449 -3.909 -6.845 349 HA ALA 46 HA ALA 46 -0.152 -3.431 -4.211 350 HB1 ALA 46 HB1 ALA 46 -2.218 -2.235 -5.404 351 HB2 ALA 46 HB2 ALA 46 -0.555 -1.634 -5.607 352 HB3 ALA 46 HB3 ALA 46 -1.298 -2.642 -6.872 353 H HIS 47 H HIS 47 -2.148 -5.157 -6.707 354 HA HIS 47 HA HIS 47 -4.154 -5.806 -4.823 355 HB2 HIS 47 HB2 HIS 47 -3.576 -7.005 -7.546 356 HB3 HIS 47 HB3 HIS 47 -5.055 -7.207 -6.629 357 HD1 HIS 47 HD1 HIS 47 -4.767 -5.823 -9.519 358 HD2 HIS 47 HD2 HIS 47 -5.218 -3.860 -5.839 359 HE1 HIS 47 HE1 HIS 47 -5.742 -3.526 -10.049 360 H GLY 48 H GLY 48 -1.151 -7.333 -5.989 361 HA2 GLY 48 HA2 GLY 48 -1.701 -9.910 -4.883 362 HA3 GLY 48 HA3 GLY 48 -0.167 -9.302 -5.474 363 H LYS 49 H LYS 49 1.305 -9.656 -3.849 364 HA LYS 49 HA LYS 49 0.479 -9.226 -1.109 365 HB2 LYS 49 HB2 LYS 49 2.579 -10.259 -0.525 366 HB3 LYS 49 HB3 LYS 49 1.775 -11.230 -1.741 367 HG2 LYS 49 HG2 LYS 49 3.235 -10.449 -3.490 368 HG3 LYS 49 HG3 LYS 49 3.831 -9.122 -2.513 369 HD2 LYS 49 HD2 LYS 49 5.593 -10.551 -2.135 370 HD3 LYS 49 HD3 LYS 49 4.540 -11.187 -0.887 371 HE2 LYS 49 HE2 LYS 49 4.547 -13.203 -1.924 372 HE3 LYS 49 HE3 LYS 49 3.756 -12.483 -3.312 373 HZ1 LYS 49 HZ1 LYS 49 6.295 -11.700 -3.699 374 HZ2 LYS 49 HZ2 LYS 49 6.561 -13.129 -2.964 375 H GLY 50 H GLY 50 0.353 -6.886 -2.729 376 HA2 GLY 50 HA2 GLY 50 2.725 -5.365 -1.848 377 HA3 GLY 50 HA3 GLY 50 1.667 -4.943 -3.180 378 H CYS 51 H CYS 51 -0.882 -5.064 -2.262 379 HA CYS 51 HA CYS 51 -0.840 -3.388 0.142 380 HB2 CYS 51 HB2 CYS 51 -2.573 -3.041 -2.313 381 HB3 CYS 51 HB3 CYS 51 -2.763 -2.151 -0.816 382 H LYS 52 H LYS 52 -3.574 -4.569 -1.895 383 HA LYS 52 HA LYS 52 -5.201 -5.374 0.087 384 HB2 LYS 52 HB2 LYS 52 -4.809 -6.354 -2.730 385 HB3 LYS 52 HB3 LYS 52 -5.990 -7.128 -1.693 386 HG2 LYS 52 HG2 LYS 52 -6.448 -4.383 -1.273 387 HG3 LYS 52 HG3 LYS 52 -6.088 -4.480 -2.985 388 HD2 LYS 52 HD2 LYS 52 -8.131 -6.262 -1.577 389 HD3 LYS 52 HD3 LYS 52 -8.545 -4.778 -2.412 390 HE2 LYS 52 HE2 LYS 52 -6.890 -6.408 -4.159 391 HE3 LYS 52 HE3 LYS 52 -8.203 -7.391 -3.541 392 HZ1 LYS 52 HZ1 LYS 52 -9.466 -5.084 -4.178 393 HZ2 LYS 52 HZ2 LYS 52 -8.335 -5.144 -5.347 394 H GLY 53 H GLY 53 -2.603 -7.360 -1.467 395 HA2 GLY 53 HA2 GLY 53 -2.849 -9.784 -0.452 396 HA3 GLY 53 HA3 GLY 53 -1.308 -8.948 -0.456 397 H CYS 54 H CYS 54 -0.976 -7.344 1.484 398 HA CYS 54 HA CYS 54 -0.981 -8.797 3.802 399 HB2 CYS 54 HB2 CYS 54 0.400 -6.749 3.265 400 HB3 CYS 54 HB3 CYS 54 -0.999 -5.767 3.651 401 H HIS 55 H HIS 55 -3.323 -6.336 2.556 402 HA HIS 55 HA HIS 55 -4.916 -6.134 4.779 403 HB2 HIS 55 HB2 HIS 55 -5.547 -5.930 1.829 404 HB3 HIS 55 HB3 HIS 55 -6.733 -5.581 3.072 405 HD1 HIS 55 HD1 HIS 55 -6.410 -3.174 1.599 406 HD2 HIS 55 HD2 HIS 55 -3.492 -4.234 4.419 407 HE1 HIS 55 HE1 HIS 55 -5.149 -1.029 2.162 408 H GLU 56 H GLU 56 -5.801 -8.104 1.855 409 HA GLU 56 HA GLU 56 -7.733 -9.541 3.155 410 HB2 GLU 56 HB2 GLU 56 -7.063 -11.291 1.226 411 HB3 GLU 56 HB3 GLU 56 -7.909 -9.797 0.874 412 HG2 GLU 56 HG2 GLU 56 -5.988 -8.741 0.016 413 HG3 GLU 56 HG3 GLU 56 -4.890 -9.742 0.945 414 HE2 GLU 56 HE2 GLU 56 -4.502 -12.186 -0.865 415 H GLU 57 H GLU 57 -4.245 -9.798 3.306 416 HA GLU 57 HA GLU 57 -4.113 -12.503 4.005 417 HB2 GLU 57 HB2 GLU 57 -2.144 -11.323 3.190 418 HB3 GLU 57 HB3 GLU 57 -2.224 -10.165 4.503 419 HG2 GLU 57 HG2 GLU 57 -2.037 -12.299 6.060 420 HG3 GLU 57 HG3 GLU 57 -1.442 -13.094 4.616 421 HE2 GLU 57 HE2 GLU 57 -0.010 -10.817 7.079 422 H MET 58 H MET 58 -4.023 -9.456 5.988 423 HA MET 58 HA MET 58 -4.286 -11.041 8.368 424 HB2 MET 58 HB2 MET 58 -4.158 -8.014 7.868 425 HB3 MET 58 HB3 MET 58 -4.171 -8.736 9.465 426 HG2 MET 58 HG2 MET 58 -2.117 -9.908 7.671 427 HG3 MET 58 HG3 MET 58 -1.887 -8.195 7.958 428 HE1 MET 58 HE1 MET 58 -1.431 -7.876 11.741 429 HE2 MET 58 HE2 MET 58 -1.232 -7.126 10.139 430 HE3 MET 58 HE3 MET 58 -2.860 -7.517 10.743 431 H LYS 59 H LYS 59 -6.403 -9.959 6.012 432 HA LYS 59 HA LYS 59 -8.604 -9.806 5.912 433 HB2 LYS 59 HB2 LYS 59 -8.249 -11.146 8.550 434 HB3 LYS 59 HB3 LYS 59 -9.821 -10.444 8.224 435 HG2 LYS 59 HG2 LYS 59 -10.113 -12.558 7.282 436 HG3 LYS 59 HG3 LYS 59 -9.571 -11.665 5.874 437 HD2 LYS 59 HD2 LYS 59 -7.824 -13.090 5.664 438 HD3 LYS 59 HD3 LYS 59 -7.197 -12.528 7.201 439 HE2 LYS 59 HE2 LYS 59 -7.859 -14.423 8.296 440 HE3 LYS 59 HE3 LYS 59 -9.444 -14.410 7.548 441 HZ1 LYS 59 HZ1 LYS 59 -8.598 -15.535 5.656 442 HZ2 LYS 59 HZ2 LYS 59 -7.040 -15.250 6.034 443 H LYS 60 H LYS 60 -6.642 -7.691 7.150 444 HA LYS 60 HA LYS 60 -8.791 -5.952 8.146 445 HB2 LYS 60 HB2 LYS 60 -5.867 -5.906 8.952 446 HB3 LYS 60 HB3 LYS 60 -7.117 -4.821 9.528 447 HG2 LYS 60 HG2 LYS 60 -7.295 -7.850 9.846 448 HG3 LYS 60 HG3 LYS 60 -6.560 -6.816 11.054 449 HD2 LYS 60 HD2 LYS 60 -9.094 -5.641 10.369 450 HD3 LYS 60 HD3 LYS 60 -9.371 -7.354 10.611 451 HE2 LYS 60 HE2 LYS 60 -9.621 -6.307 12.773 452 HE3 LYS 60 HE3 LYS 60 -8.101 -7.178 12.815 453 HZ1 LYS 60 HZ1 LYS 60 -8.338 -4.272 12.238 454 HZ2 LYS 60 HZ2 LYS 60 -7.886 -4.894 13.673 455 H GLY 61 H GLY 61 -8.827 -3.793 7.367 456 HA2 GLY 61 HA2 GLY 61 -7.998 -2.021 6.102 457 HA3 GLY 61 HA3 GLY 61 -6.862 -3.094 5.309 458 HA PRO 62 HA PRO 62 -10.819 -2.343 2.767 459 HB2 PRO 62 HB2 PRO 62 -9.705 -0.676 0.872 460 HB3 PRO 62 HB3 PRO 62 -10.410 -0.084 2.412 461 HG2 PRO 62 HG2 PRO 62 -7.658 -0.754 1.701 462 HG3 PRO 62 HG3 PRO 62 -8.068 0.800 2.496 463 HD2 PRO 62 HD2 PRO 62 -7.094 -1.187 3.989 464 HD3 PRO 62 HD3 PRO 62 -8.562 -0.347 4.574 465 H THR 63 H THR 63 -11.122 -4.116 1.422 466 HA THR 63 HA THR 63 -8.818 -4.875 -0.251 467 HB THR 63 HB THR 63 -9.446 -7.226 0.176 468 HG1 THR 63 HG1 THR 63 -11.603 -7.357 0.673 469 HG21 THR 63 HG21 THR 63 -9.497 -7.143 2.837 470 HG22 THR 63 HG22 THR 63 -8.019 -6.650 1.976 471 HG23 THR 63 HG23 THR 63 -9.144 -5.416 2.593 472 H LYS 64 H LYS 64 -11.999 -3.701 -0.119 473 HA LYS 64 HA LYS 64 -12.736 -4.975 -2.632 474 HB2 LYS 64 HB2 LYS 64 -14.380 -3.031 -0.999 475 HB3 LYS 64 HB3 LYS 64 -14.934 -4.146 -2.231 476 HG2 LYS 64 HG2 LYS 64 -15.347 -5.621 -0.553 477 HG3 LYS 64 HG3 LYS 64 -13.611 -5.829 -0.426 478 HD2 LYS 64 HD2 LYS 64 -13.450 -4.102 1.293 479 HD3 LYS 64 HD3 LYS 64 -15.118 -3.624 1.049 480 HE2 LYS 64 HE2 LYS 64 -14.842 -6.508 1.651 481 HE3 LYS 64 HE3 LYS 64 -14.207 -5.490 2.928 482 HZ1 LYS 64 HZ1 LYS 64 -16.378 -5.371 3.528 483 HZ2 LYS 64 HZ2 LYS 64 -16.532 -4.255 2.353 484 H CYS 65 H CYS 65 -13.480 -3.617 -4.463 485 HA CYS 65 HA CYS 65 -11.562 -1.617 -4.988 486 HB2 CYS 65 HB2 CYS 65 -13.990 -1.813 -6.686 487 HB3 CYS 65 HB3 CYS 65 -12.303 -1.665 -7.137 488 H GLY 66 H GLY 66 -12.148 0.681 -5.603 489 HA2 GLY 66 HA2 GLY 66 -13.435 2.578 -5.437 490 HA3 GLY 66 HA3 GLY 66 -14.654 1.699 -4.536 491 H GLU 67 H GLU 67 -12.785 0.491 -2.581 492 HA GLU 67 HA GLU 67 -12.746 2.665 -0.787 493 HB2 GLU 67 HB2 GLU 67 -12.839 -0.099 -0.562 494 HB3 GLU 67 HB3 GLU 67 -11.206 0.248 -0.027 495 HG2 GLU 67 HG2 GLU 67 -12.110 1.949 1.587 496 HG3 GLU 67 HG3 GLU 67 -13.739 1.562 1.068 497 HE2 GLU 67 HE2 GLU 67 -13.625 0.900 3.613 498 H CYS 68 H CYS 68 -10.511 1.363 -3.120 499 HA CYS 68 HA CYS 68 -8.320 2.801 -1.815 500 HB2 CYS 68 HB2 CYS 68 -8.447 0.225 -3.166 501 HB3 CYS 68 HB3 CYS 68 -7.248 1.266 -3.908 502 H HIS 69 H HIS 69 -9.978 2.072 -4.958 503 HA HIS 69 HA HIS 69 -8.636 4.324 -6.178 504 HB2 HIS 69 HB2 HIS 69 -10.601 2.313 -7.312 505 HB3 HIS 69 HB3 HIS 69 -9.774 3.552 -8.235 506 HD1 HIS 69 HD1 HIS 69 -6.998 3.352 -8.120 507 HD2 HIS 69 HD2 HIS 69 -9.248 -0.064 -7.187 508 HE1 HIS 69 HE1 HIS 69 -5.410 1.367 -8.342 509 H LYS 70 H LYS 70 -9.451 6.240 -5.370 510 HA LYS 70 HA LYS 70 -12.366 6.544 -5.590 511 HB2 LYS 70 HB2 LYS 70 -12.139 8.250 -3.777 512 HB3 LYS 70 HB3 LYS 70 -11.799 6.606 -3.275 513 HG2 LYS 70 HG2 LYS 70 -9.556 8.440 -4.195 514 HG3 LYS 70 HG3 LYS 70 -10.148 8.510 -2.547 515 HD2 LYS 70 HD2 LYS 70 -9.708 5.731 -3.340 516 HD3 LYS 70 HD3 LYS 70 -8.258 6.674 -3.619 517 HE2 LYS 70 HE2 LYS 70 -8.627 7.620 -1.212 518 HE3 LYS 70 HE3 LYS 70 -9.769 6.308 -1.002 519 HZ1 LYS 70 HZ1 LYS 70 -7.122 6.068 -0.586 520 HZ2 LYS 70 HZ2 LYS 70 -8.092 4.801 -0.910 521 H LYS 71 H LYS 71 -12.967 7.832 -7.239 522 HA LYS 71 HA LYS 71 -11.268 10.127 -7.834 523 HB2 LYS 71 HB2 LYS 71 -11.525 7.768 -9.502 524 HB3 LYS 71 HB3 LYS 71 -12.143 9.180 -10.336 525 HG2 LYS 71 HG2 LYS 71 -9.951 10.366 -9.491 526 HG3 LYS 71 HG3 LYS 71 -9.364 8.743 -9.189 527 HD2 LYS 71 HD2 LYS 71 -9.063 8.308 -11.413 528 HD3 LYS 71 HD3 LYS 71 -10.612 9.000 -11.853 529 HE2 LYS 71 HE2 LYS 71 -9.682 11.011 -12.414 530 HE3 LYS 71 HE3 LYS 71 -8.707 11.065 -10.959 531 HZ1 LYS 71 HZ1 LYS 71 -8.035 9.828 -13.542 532 HZ2 LYS 71 HZ2 LYS 71 -7.122 10.811 -12.620 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 6.130 13.386 5.191 2 HA ALA 1 HA ALA 1 3.480 14.556 5.244 3 HB1 ALA 1 HB1 ALA 1 4.549 13.120 2.851 4 HB2 ALA 1 HB2 ALA 1 3.699 14.680 2.963 5 HB3 ALA 1 HB3 ALA 1 5.427 14.576 3.376 6 H ASP 2 H ASP 2 5.023 11.363 4.438 7 HA ASP 2 HA ASP 2 4.323 9.327 4.755 8 HB2 ASP 2 HB2 ASP 2 1.670 9.877 5.963 9 HB3 ASP 2 HB3 ASP 2 2.959 8.840 6.539 10 HD2 ASP 2 HD2 ASP 2 4.454 11.528 8.346 11 H ASP 3 H ASP 3 1.458 11.528 4.247 12 HA ASP 3 HA ASP 3 -0.093 9.814 2.830 13 HB2 ASP 3 HB2 ASP 3 0.044 12.677 1.911 14 HB3 ASP 3 HB3 ASP 3 -1.366 11.697 2.261 15 HD2 ASP 3 HD2 ASP 3 -0.422 11.467 5.465 16 H ILE 4 H ILE 4 0.207 8.827 0.824 17 HA ILE 4 HA ILE 4 1.835 10.260 -1.144 18 HB ILE 4 HB ILE 4 2.160 7.416 -0.213 19 HG12 ILE 4 HG12 ILE 4 4.184 9.645 -0.567 20 HG13 ILE 4 HG13 ILE 4 3.405 9.250 0.952 21 HG21 ILE 4 HG21 ILE 4 3.457 8.592 -2.678 22 HG22 ILE 4 HG22 ILE 4 3.508 6.911 -2.094 23 HG23 ILE 4 HG23 ILE 4 1.989 7.587 -2.729 24 HD11 ILE 4 HD11 ILE 4 5.723 8.187 0.498 25 HD12 ILE 4 HD12 ILE 4 4.435 7.100 1.069 26 HD13 ILE 4 HD13 ILE 4 4.875 7.130 -0.655 27 H VAL 5 H VAL 5 0.886 10.383 -3.125 28 HA VAL 5 HA VAL 5 -1.602 8.882 -3.432 29 HB VAL 5 HB VAL 5 -0.486 11.314 -4.839 30 HG11 VAL 5 HG11 VAL 5 -1.957 9.731 -6.230 31 HG12 VAL 5 HG12 VAL 5 -3.288 10.224 -5.156 32 HG13 VAL 5 HG13 VAL 5 -2.443 11.441 -6.143 33 HG21 VAL 5 HG21 VAL 5 -2.715 12.226 -3.721 34 HG22 VAL 5 HG22 VAL 5 -2.407 10.894 -2.582 35 HG23 VAL 5 HG23 VAL 5 -1.181 12.161 -2.821 36 H LEU 6 H LEU 6 -1.637 7.095 -4.689 37 HA LEU 6 HA LEU 6 0.646 6.686 -6.464 38 HB2 LEU 6 HB2 LEU 6 -1.425 4.775 -5.376 39 HB3 LEU 6 HB3 LEU 6 -0.143 4.334 -6.486 40 HG LEU 6 HG LEU 6 0.448 5.577 -3.798 41 HD11 LEU 6 HD11 LEU 6 0.366 2.600 -4.316 42 HD12 LEU 6 HD12 LEU 6 0.593 3.452 -2.769 43 HD13 LEU 6 HD13 LEU 6 -0.986 3.500 -3.589 44 HD21 LEU 6 HD21 LEU 6 2.639 4.857 -4.100 45 HD22 LEU 6 HD22 LEU 6 2.187 3.672 -5.349 46 HD23 LEU 6 HD23 LEU 6 2.162 5.412 -5.722 47 H LYS 7 H LYS 7 0.251 7.744 -8.373 48 HA LYS 7 HA LYS 7 -2.214 8.222 -9.479 49 HB2 LYS 7 HB2 LYS 7 0.502 7.875 -10.775 50 HB3 LYS 7 HB3 LYS 7 -0.913 8.446 -11.635 51 HG2 LYS 7 HG2 LYS 7 -0.746 10.527 -10.728 52 HG3 LYS 7 HG3 LYS 7 -0.590 9.889 -9.104 53 HD2 LYS 7 HD2 LYS 7 1.747 9.756 -11.041 54 HD3 LYS 7 HD3 LYS 7 1.423 11.224 -10.139 55 HE2 LYS 7 HE2 LYS 7 1.286 9.444 -8.087 56 HE3 LYS 7 HE3 LYS 7 2.360 8.548 -9.142 57 HZ1 LYS 7 HZ1 LYS 7 3.957 10.237 -9.043 58 HZ2 LYS 7 HZ2 LYS 7 2.906 11.394 -8.588 59 H ALA 8 H ALA 8 -3.706 7.074 -10.641 60 HA ALA 8 HA ALA 8 -2.902 4.466 -11.665 61 HB1 ALA 8 HB1 ALA 8 -4.110 3.274 -10.185 62 HB2 ALA 8 HB2 ALA 8 -4.235 4.759 -9.211 63 HB3 ALA 8 HB3 ALA 8 -5.518 4.348 -10.375 64 H LYS 9 H LYS 9 -4.067 3.845 -13.518 65 HA LYS 9 HA LYS 9 -5.470 6.018 -14.778 66 HB2 LYS 9 HB2 LYS 9 -5.357 4.662 -16.768 67 HB3 LYS 9 HB3 LYS 9 -3.790 4.667 -15.983 68 HG2 LYS 9 HG2 LYS 9 -3.940 2.431 -15.337 69 HG3 LYS 9 HG3 LYS 9 -5.686 2.470 -15.198 70 HD2 LYS 9 HD2 LYS 9 -4.327 2.725 -17.907 71 HD3 LYS 9 HD3 LYS 9 -4.633 1.152 -17.197 72 HE2 LYS 9 HE2 LYS 9 -7.084 2.499 -16.882 73 HE3 LYS 9 HE3 LYS 9 -6.525 3.032 -18.455 74 HZ1 LYS 9 HZ1 LYS 9 -6.630 0.900 -19.288 75 HZ2 LYS 9 HZ2 LYS 9 -6.328 0.169 -17.865 76 H ASN 10 H ASN 10 -6.409 4.045 -12.395 77 HA ASN 10 HA ASN 10 -9.094 3.915 -13.489 78 HB2 ASN 10 HB2 ASN 10 -9.460 1.683 -12.629 79 HB3 ASN 10 HB3 ASN 10 -7.945 1.613 -13.507 80 HD21 ASN 10 HD21 ASN 10 -9.335 0.404 -10.952 81 HD22 ASN 10 HD22 ASN 10 -8.045 0.307 -9.800 82 H GLY 11 H GLY 11 -7.714 5.856 -11.725 83 HA2 GLY 11 HA2 GLY 11 -8.806 7.019 -9.975 84 HA3 GLY 11 HA3 GLY 11 -9.346 5.495 -9.298 85 H ASP 12 H ASP 12 -7.237 7.991 -8.779 86 HA ASP 12 HA ASP 12 -4.833 6.772 -8.248 87 HB2 ASP 12 HB2 ASP 12 -4.345 8.740 -6.886 88 HB3 ASP 12 HB3 ASP 12 -5.249 9.241 -8.300 89 HD2 ASP 12 HD2 ASP 12 -7.408 10.575 -7.471 90 H VAL 13 H VAL 13 -3.887 6.257 -6.037 91 HA VAL 13 HA VAL 13 -5.976 5.346 -4.179 92 HB VAL 13 HB VAL 13 -3.319 4.052 -4.823 93 HG11 VAL 13 HG11 VAL 13 -5.554 2.926 -3.118 94 HG12 VAL 13 HG12 VAL 13 -3.891 2.320 -3.304 95 HG13 VAL 13 HG13 VAL 13 -4.191 3.846 -2.439 96 HG21 VAL 13 HG21 VAL 13 -5.216 2.201 -5.449 97 HG22 VAL 13 HG22 VAL 13 -6.049 3.705 -5.912 98 HG23 VAL 13 HG23 VAL 13 -4.466 3.309 -6.623 99 H LYS 14 H LYS 14 -5.893 6.269 -2.195 100 HA LYS 14 HA LYS 14 -3.587 7.927 -1.606 101 HB2 LYS 14 HB2 LYS 14 -6.043 8.650 -1.402 102 HB3 LYS 14 HB3 LYS 14 -6.109 7.650 0.035 103 HG2 LYS 14 HG2 LYS 14 -4.042 9.856 -0.401 104 HG3 LYS 14 HG3 LYS 14 -5.541 10.088 0.476 105 HD2 LYS 14 HD2 LYS 14 -4.818 8.120 1.982 106 HD3 LYS 14 HD3 LYS 14 -3.248 8.216 1.210 107 HE2 LYS 14 HE2 LYS 14 -3.013 9.568 3.154 108 HE3 LYS 14 HE3 LYS 14 -3.246 10.728 1.862 109 HZ1 LYS 14 HZ1 LYS 14 -5.076 11.449 2.914 110 HZ2 LYS 14 HZ2 LYS 14 -5.774 9.979 2.850 111 H PHE 15 H PHE 15 -1.863 6.999 -0.645 112 HA PHE 15 HA PHE 15 -2.431 4.844 1.264 113 HB2 PHE 15 HB2 PHE 15 -1.081 4.216 -0.747 114 HB3 PHE 15 HB3 PHE 15 -0.016 5.584 -0.491 115 HD1 PHE 15 HD1 PHE 15 -1.263 2.678 1.511 116 HD2 PHE 15 HD2 PHE 15 2.049 5.073 0.370 117 HE1 PHE 15 HE1 PHE 15 0.257 1.237 2.895 118 HE2 PHE 15 HE2 PHE 15 3.568 3.632 1.754 119 HZ PHE 15 HZ PHE 15 2.654 1.732 3.000 120 HA PRO 16 HA PRO 16 -0.838 7.796 4.196 121 HB2 PRO 16 HB2 PRO 16 -1.737 6.503 6.420 122 HB3 PRO 16 HB3 PRO 16 -2.858 7.325 5.286 123 HG2 PRO 16 HG2 PRO 16 -2.155 4.641 5.561 124 HG3 PRO 16 HG3 PRO 16 -3.850 5.100 5.194 125 HD2 PRO 16 HD2 PRO 16 -2.115 4.071 3.302 126 HD3 PRO 16 HD3 PRO 16 -3.377 5.271 2.887 127 H HIS 17 H HIS 17 1.459 7.479 3.887 128 HA HIS 17 HA HIS 17 2.612 5.018 4.776 129 HB2 HIS 17 HB2 HIS 17 3.466 6.281 2.831 130 HB3 HIS 17 HB3 HIS 17 3.906 7.610 3.885 131 HD1 HIS 17 HD1 HIS 17 5.818 7.047 5.740 132 HD2 HIS 17 HD2 HIS 17 5.362 4.285 2.616 133 HE1 HIS 17 HE1 HIS 17 7.939 5.629 5.724 134 H LYS 18 H LYS 18 1.162 5.901 6.902 135 HA LYS 18 HA LYS 18 3.285 6.680 8.747 136 HB2 LYS 18 HB2 LYS 18 2.239 8.774 8.369 137 HB3 LYS 18 HB3 LYS 18 0.630 8.082 8.410 138 HG2 LYS 18 HG2 LYS 18 0.780 8.995 10.562 139 HG3 LYS 18 HG3 LYS 18 1.277 7.342 10.865 140 HD2 LYS 18 HD2 LYS 18 3.592 7.926 10.983 141 HD3 LYS 18 HD3 LYS 18 3.342 9.459 10.172 142 HE2 LYS 18 HE2 LYS 18 1.687 9.747 12.374 143 HE3 LYS 18 HE3 LYS 18 2.967 8.753 13.042 144 HZ1 LYS 18 HZ1 LYS 18 4.507 10.417 12.734 145 HZ2 LYS 18 HZ2 LYS 18 3.781 11.053 11.423 146 H ALA 19 H ALA 19 -0.285 5.986 8.786 147 HA ALA 19 HA ALA 19 -0.252 4.594 11.164 148 HB1 ALA 19 HB1 ALA 19 -2.417 4.945 10.619 149 HB2 ALA 19 HB2 ALA 19 -2.054 5.016 8.878 150 HB3 ALA 19 HB3 ALA 19 -2.294 3.443 9.674 151 H HIS 20 H HIS 20 0.908 3.687 7.980 152 HA HIS 20 HA HIS 20 0.766 0.877 8.500 153 HB2 HIS 20 HB2 HIS 20 1.887 2.599 6.299 154 HB3 HIS 20 HB3 HIS 20 2.291 0.896 6.383 155 HD1 HIS 20 HD1 HIS 20 -0.579 3.237 5.701 156 HD2 HIS 20 HD2 HIS 20 0.182 -0.887 5.760 157 HE1 HIS 20 HE1 HIS 20 -2.583 2.125 4.580 158 H GLN 21 H GLN 21 2.515 3.250 9.941 159 HA GLN 21 HA GLN 21 5.014 1.791 9.885 160 HB2 GLN 21 HB2 GLN 21 4.255 4.505 11.047 161 HB3 GLN 21 HB3 GLN 21 5.846 3.794 11.221 162 HG2 GLN 21 HG2 GLN 21 6.296 3.906 8.881 163 HG3 GLN 21 HG3 GLN 21 4.601 4.071 8.467 164 HE21 GLN 21 HE21 GLN 21 6.400 5.775 7.408 165 HE22 GLN 21 HE22 GLN 21 6.233 7.371 8.060 166 H LYS 22 H LYS 22 2.647 3.168 12.277 167 HA LYS 22 HA LYS 22 3.827 1.832 14.467 168 HB2 LYS 22 HB2 LYS 22 1.185 3.238 14.042 169 HB3 LYS 22 HB3 LYS 22 1.601 2.477 15.564 170 HG2 LYS 22 HG2 LYS 22 3.721 4.243 14.419 171 HG3 LYS 22 HG3 LYS 22 2.252 5.068 14.901 172 HD2 LYS 22 HD2 LYS 22 2.838 3.214 16.997 173 HD3 LYS 22 HD3 LYS 22 4.364 3.967 16.579 174 HE2 LYS 22 HE2 LYS 22 3.480 6.194 16.966 175 HE3 LYS 22 HE3 LYS 22 1.834 5.601 17.055 176 HZ1 LYS 22 HZ1 LYS 22 3.838 4.589 18.968 177 HZ2 LYS 22 HZ2 LYS 22 3.122 6.026 19.243 178 H ALA 23 H ALA 23 1.590 0.905 11.921 179 HA ALA 23 HA ALA 23 0.569 -1.347 13.403 180 HB1 ALA 23 HB1 ALA 23 -0.874 -0.165 11.828 181 HB2 ALA 23 HB2 ALA 23 0.285 -0.449 10.507 182 HB3 ALA 23 HB3 ALA 23 -0.585 -1.819 11.238 183 H VAL 24 H VAL 24 3.204 -0.555 11.174 184 HA VAL 24 HA VAL 24 4.143 -3.299 11.468 185 HB VAL 24 HB VAL 24 3.937 -1.833 8.830 186 HG11 VAL 24 HG11 VAL 24 5.856 -3.070 8.539 187 HG12 VAL 24 HG12 VAL 24 5.354 -4.331 9.691 188 HG13 VAL 24 HG13 VAL 24 4.630 -4.270 8.066 189 HG21 VAL 24 HG21 VAL 24 2.366 -3.598 8.180 190 HG22 VAL 24 HG22 VAL 24 2.491 -4.323 9.801 191 HG23 VAL 24 HG23 VAL 24 1.768 -2.708 9.602 192 HA PRO 25 HA PRO 25 6.961 0.265 12.737 193 HB2 PRO 25 HB2 PRO 25 7.695 -2.195 14.388 194 HB3 PRO 25 HB3 PRO 25 7.741 -0.454 14.817 195 HG2 PRO 25 HG2 PRO 25 5.360 -1.856 15.621 196 HG3 PRO 25 HG3 PRO 25 5.702 -0.272 14.851 197 HD2 PRO 25 HD2 PRO 25 4.841 -2.922 13.544 198 HD3 PRO 25 HD3 PRO 25 4.035 -1.328 13.432 199 H ASP 26 H ASP 26 7.289 -3.112 11.576 200 HA ASP 26 HA ASP 26 10.077 -2.843 11.160 201 HB2 ASP 26 HB2 ASP 26 9.012 -5.047 11.520 202 HB3 ASP 26 HB3 ASP 26 8.018 -4.831 10.093 203 HD2 ASP 26 HD2 ASP 26 10.211 -6.983 10.515 204 H CYS 27 H CYS 27 10.906 -1.574 9.493 205 HA CYS 27 HA CYS 27 9.175 -0.872 7.303 206 HB2 CYS 27 HB2 CYS 27 12.045 -0.038 7.490 207 HB3 CYS 27 HB3 CYS 27 10.679 0.813 6.797 208 H LYS 28 H LYS 28 11.525 -3.273 8.152 209 HA LYS 28 HA LYS 28 12.560 -3.673 5.518 210 HB2 LYS 28 HB2 LYS 28 12.703 -5.389 8.016 211 HB3 LYS 28 HB3 LYS 28 13.596 -5.680 6.537 212 HG2 LYS 28 HG2 LYS 28 14.191 -3.014 7.016 213 HG3 LYS 28 HG3 LYS 28 14.052 -3.635 8.649 214 HD2 LYS 28 HD2 LYS 28 15.530 -5.603 7.215 215 HD3 LYS 28 HD3 LYS 28 16.183 -4.061 6.698 216 HE2 LYS 28 HE2 LYS 28 16.855 -3.453 8.885 217 HE3 LYS 28 HE3 LYS 28 15.707 -4.532 9.651 218 HZ1 LYS 28 HZ1 LYS 28 17.153 -6.342 8.430 219 HZ2 LYS 28 HZ2 LYS 28 18.307 -5.193 8.466 220 H LYS 29 H LYS 29 9.530 -4.141 6.882 221 HA LYS 29 HA LYS 29 8.915 -6.717 5.909 222 HB2 LYS 29 HB2 LYS 29 7.487 -4.434 7.127 223 HB3 LYS 29 HB3 LYS 29 6.512 -5.418 6.054 224 HG2 LYS 29 HG2 LYS 29 8.252 -6.604 8.263 225 HG3 LYS 29 HG3 LYS 29 6.573 -6.168 8.508 226 HD2 LYS 29 HD2 LYS 29 6.519 -7.685 6.137 227 HD3 LYS 29 HD3 LYS 29 7.712 -8.507 7.123 228 HE2 LYS 29 HE2 LYS 29 5.315 -7.715 8.667 229 HE3 LYS 29 HE3 LYS 29 4.935 -8.791 7.338 230 HZ1 LYS 29 HZ1 LYS 29 5.511 -10.220 9.085 231 HZ2 LYS 29 HZ2 LYS 29 6.898 -10.175 8.234 232 H CYS 30 H CYS 30 8.301 -3.377 4.625 233 HA CYS 30 HA CYS 30 7.548 -4.589 2.097 234 HB2 CYS 30 HB2 CYS 30 7.516 -1.639 2.778 235 HB3 CYS 30 HB3 CYS 30 6.668 -2.457 1.480 236 H HIS 31 H HIS 31 9.797 -2.077 3.471 237 HA HIS 31 HA HIS 31 11.258 -1.874 1.055 238 HB2 HIS 31 HB2 HIS 31 11.921 -0.968 3.871 239 HB3 HIS 31 HB3 HIS 31 12.820 -0.522 2.434 240 HD1 HIS 31 HD1 HIS 31 11.051 0.598 0.465 241 HD2 HIS 31 HD2 HIS 31 10.104 0.944 4.537 242 HE1 HIS 31 HE1 HIS 31 9.406 2.539 0.654 243 H GLU 32 H GLU 32 12.338 -3.628 0.271 244 HA GLU 32 HA GLU 32 13.508 -5.458 2.140 245 HB2 GLU 32 HB2 GLU 32 12.877 -5.426 -0.775 246 HB3 GLU 32 HB3 GLU 32 14.294 -6.358 -0.332 247 HG2 GLU 32 HG2 GLU 32 13.006 -8.027 0.502 248 HG3 GLU 32 HG3 GLU 32 12.187 -6.916 1.582 249 HE2 GLU 32 HE2 GLU 32 10.358 -5.542 -0.690 250 H LYS 33 H LYS 33 14.594 -3.249 -0.523 251 HA LYS 33 HA LYS 33 17.349 -3.672 0.303 252 HB2 LYS 33 HB2 LYS 33 16.131 -2.192 -2.047 253 HB3 LYS 33 HB3 LYS 33 17.851 -2.302 -1.729 254 HG2 LYS 33 HG2 LYS 33 16.953 -4.971 -1.539 255 HG3 LYS 33 HG3 LYS 33 16.037 -4.313 -2.880 256 HD2 LYS 33 HD2 LYS 33 18.602 -3.308 -3.351 257 HD3 LYS 33 HD3 LYS 33 18.933 -4.896 -2.688 258 HE2 LYS 33 HE2 LYS 33 17.368 -5.914 -4.366 259 HE3 LYS 33 HE3 LYS 33 17.058 -4.325 -5.035 260 HZ1 LYS 33 HZ1 LYS 33 19.152 -4.237 -5.964 261 HZ2 LYS 33 HZ2 LYS 33 19.856 -5.178 -4.836 262 H GLY 34 H GLY 34 15.337 -2.331 2.068 263 HA2 GLY 34 HA2 GLY 34 15.717 -0.696 3.641 264 HA3 GLY 34 HA3 GLY 34 16.931 0.041 2.614 265 HA PRO 35 HA PRO 35 12.766 2.395 2.738 266 HB2 PRO 35 HB2 PRO 35 14.108 4.794 3.324 267 HB3 PRO 35 HB3 PRO 35 13.371 3.691 4.532 268 HG2 PRO 35 HG2 PRO 35 16.013 3.787 3.444 269 HG3 PRO 35 HG3 PRO 35 16.059 3.662 5.233 270 HD2 PRO 35 HD2 PRO 35 16.410 1.397 4.163 271 HD3 PRO 35 HD3 PRO 35 14.823 1.445 4.990 272 H GLY 36 H GLY 36 12.048 3.573 0.897 273 HA2 GLY 36 HA2 GLY 36 12.992 5.269 -0.755 274 HA3 GLY 36 HA3 GLY 36 14.126 3.994 -1.155 275 H LYS 37 H LYS 37 12.865 4.605 -3.324 276 HA LYS 37 HA LYS 37 10.256 3.684 -3.668 277 HB2 LYS 37 HB2 LYS 37 12.549 4.386 -5.459 278 HB3 LYS 37 HB3 LYS 37 11.197 3.513 -6.152 279 HG2 LYS 37 HG2 LYS 37 10.152 5.523 -6.343 280 HG3 LYS 37 HG3 LYS 37 9.929 5.469 -4.605 281 HD2 LYS 37 HD2 LYS 37 11.251 7.298 -4.405 282 HD3 LYS 37 HD3 LYS 37 12.607 6.359 -4.998 283 HE2 LYS 37 HE2 LYS 37 12.475 8.190 -6.512 284 HE3 LYS 37 HE3 LYS 37 11.726 6.868 -7.385 285 HZ1 LYS 37 HZ1 LYS 37 10.008 8.595 -5.740 286 HZ2 LYS 37 HZ2 LYS 37 10.504 9.154 -7.186 287 H ILE 38 H ILE 38 9.449 1.737 -4.687 288 HA ILE 38 HA ILE 38 11.231 -0.535 -4.168 289 HB ILE 38 HB ILE 38 8.215 -0.373 -4.182 290 HG12 ILE 38 HG12 ILE 38 10.080 -0.827 -1.839 291 HG13 ILE 38 HG13 ILE 38 9.417 0.740 -2.260 292 HG21 ILE 38 HG21 ILE 38 9.851 -2.734 -3.276 293 HG22 ILE 38 HG22 ILE 38 8.118 -2.648 -3.673 294 HG23 ILE 38 HG23 ILE 38 9.334 -2.552 -4.970 295 HD11 ILE 38 HD11 ILE 38 7.894 -1.756 -1.415 296 HD12 ILE 38 HD12 ILE 38 7.933 -0.169 -0.610 297 HD13 ILE 38 HD13 ILE 38 7.086 -0.358 -2.164 298 H GLU 39 H GLU 39 12.062 -1.532 -5.915 299 HA GLU 39 HA GLU 39 10.989 -0.855 -8.474 300 HB2 GLU 39 HB2 GLU 39 12.931 -2.036 -9.367 301 HB3 GLU 39 HB3 GLU 39 13.446 -0.997 -8.053 302 HG2 GLU 39 HG2 GLU 39 12.795 -3.411 -6.762 303 HG3 GLU 39 HG3 GLU 39 13.540 -3.938 -8.258 304 HE2 GLU 39 HE2 GLU 39 15.420 -4.424 -6.304 305 H GLY 40 H GLY 40 9.761 -2.162 -9.830 306 HA2 GLY 40 HA2 GLY 40 9.066 -4.284 -10.598 307 HA3 GLY 40 HA3 GLY 40 9.329 -4.954 -9.000 308 H PHE 41 H PHE 41 8.068 -2.794 -7.469 309 HA PHE 41 HA PHE 41 5.592 -3.675 -7.098 310 HB2 PHE 41 HB2 PHE 41 6.821 -1.823 -5.872 311 HB3 PHE 41 HB3 PHE 41 6.545 -0.750 -7.229 312 HD1 PHE 41 HD1 PHE 41 4.846 -2.625 -4.532 313 HD2 PHE 41 HD2 PHE 41 4.513 0.441 -7.447 314 HE1 PHE 41 HE1 PHE 41 2.677 -1.886 -3.508 315 HE2 PHE 41 HE2 PHE 41 2.344 1.179 -6.423 316 HZ PHE 41 HZ PHE 41 1.452 0.007 -4.465 317 H GLY 42 H GLY 42 3.397 -2.780 -7.643 318 HA2 GLY 42 HA2 GLY 42 2.746 -1.099 -9.674 319 HA3 GLY 42 HA3 GLY 42 3.118 -2.598 -10.502 320 H LYS 43 H LYS 43 0.871 -2.805 -11.158 321 HA LYS 43 HA LYS 43 -1.248 -2.789 -9.347 322 HB2 LYS 43 HB2 LYS 43 -1.267 -2.632 -11.905 323 HB3 LYS 43 HB3 LYS 43 -1.150 -4.380 -11.915 324 HG2 LYS 43 HG2 LYS 43 -3.181 -3.967 -10.065 325 HG3 LYS 43 HG3 LYS 43 -3.449 -2.645 -11.184 326 HD2 LYS 43 HD2 LYS 43 -2.900 -4.937 -12.798 327 HD3 LYS 43 HD3 LYS 43 -3.996 -5.484 -11.545 328 HE2 LYS 43 HE2 LYS 43 -5.675 -3.877 -12.146 329 HE3 LYS 43 HE3 LYS 43 -4.544 -2.914 -13.077 330 HZ1 LYS 43 HZ1 LYS 43 -4.833 -5.660 -13.978 331 HZ2 LYS 43 HZ2 LYS 43 -6.163 -4.741 -14.173 332 H GLU 44 H GLU 44 -0.119 -5.774 -11.056 333 HA GLU 44 HA GLU 44 -1.198 -7.607 -9.544 334 HB2 GLU 44 HB2 GLU 44 1.577 -7.505 -10.749 335 HB3 GLU 44 HB3 GLU 44 1.061 -8.933 -9.874 336 HG2 GLU 44 HG2 GLU 44 0.605 -8.598 -12.528 337 HG3 GLU 44 HG3 GLU 44 -0.441 -9.561 -11.503 338 HE2 GLU 44 HE2 GLU 44 -3.000 -7.214 -11.459 339 H MET 45 H MET 45 1.585 -5.577 -8.576 340 HA MET 45 HA MET 45 2.167 -7.067 -6.266 341 HB2 MET 45 HB2 MET 45 3.451 -5.125 -7.685 342 HB3 MET 45 HB3 MET 45 2.747 -4.102 -6.449 343 HG2 MET 45 HG2 MET 45 4.758 -4.669 -5.406 344 HG3 MET 45 HG3 MET 45 3.726 -5.939 -4.780 345 HE1 MET 45 HE1 MET 45 6.902 -7.908 -5.211 346 HE2 MET 45 HE2 MET 45 7.280 -6.180 -5.412 347 HE3 MET 45 HE3 MET 45 6.058 -6.691 -4.223 348 H ALA 46 H ALA 46 0.549 -3.838 -6.739 349 HA ALA 46 HA ALA 46 -0.145 -3.392 -4.126 350 HB1 ALA 46 HB1 ALA 46 -2.191 -2.609 -6.104 351 HB2 ALA 46 HB2 ALA 46 -1.198 -1.600 -5.026 352 HB3 ALA 46 HB3 ALA 46 -0.531 -2.171 -6.574 353 H HIS 47 H HIS 47 -2.050 -5.111 -6.696 354 HA HIS 47 HA HIS 47 -4.101 -5.799 -4.871 355 HB2 HIS 47 HB2 HIS 47 -3.456 -6.955 -7.597 356 HB3 HIS 47 HB3 HIS 47 -4.957 -7.166 -6.718 357 HD1 HIS 47 HD1 HIS 47 -4.607 -5.750 -9.582 358 HD2 HIS 47 HD2 HIS 47 -5.125 -3.826 -5.891 359 HE1 HIS 47 HE1 HIS 47 -5.564 -3.444 -10.106 360 H GLY 48 H GLY 48 -1.065 -7.291 -6.002 361 HA2 GLY 48 HA2 GLY 48 -1.635 -9.880 -4.913 362 HA3 GLY 48 HA3 GLY 48 -0.103 -9.284 -5.521 363 H LYS 49 H LYS 49 1.319 -9.801 -3.869 364 HA LYS 49 HA LYS 49 0.543 -9.289 -1.139 365 HB2 LYS 49 HB2 LYS 49 2.518 -10.905 -2.543 366 HB3 LYS 49 HB3 LYS 49 3.242 -10.024 -1.213 367 HG2 LYS 49 HG2 LYS 49 1.530 -10.895 0.348 368 HG3 LYS 49 HG3 LYS 49 0.697 -11.697 -0.970 369 HD2 LYS 49 HD2 LYS 49 2.312 -13.370 -1.171 370 HD3 LYS 49 HD3 LYS 49 3.615 -12.337 -0.619 371 HE2 LYS 49 HE2 LYS 49 1.385 -13.248 1.249 372 HE3 LYS 49 HE3 LYS 49 2.830 -14.206 0.997 373 HZ1 LYS 49 HZ1 LYS 49 3.033 -12.675 2.905 374 HZ2 LYS 49 HZ2 LYS 49 4.165 -12.345 1.781 375 H GLY 50 H GLY 50 0.398 -6.925 -2.602 376 HA2 GLY 50 HA2 GLY 50 2.844 -5.484 -1.768 377 HA3 GLY 50 HA3 GLY 50 1.826 -5.037 -3.122 378 H CYS 51 H CYS 51 -0.737 -5.044 -2.282 379 HA CYS 51 HA CYS 51 -0.689 -3.349 0.109 380 HB2 CYS 51 HB2 CYS 51 -2.405 -3.037 -2.363 381 HB3 CYS 51 HB3 CYS 51 -2.591 -2.109 -0.887 382 H LYS 52 H LYS 52 -3.422 -4.552 -1.917 383 HA LYS 52 HA LYS 52 -5.045 -5.302 0.115 384 HB2 LYS 52 HB2 LYS 52 -4.745 -6.323 -2.707 385 HB3 LYS 52 HB3 LYS 52 -5.969 -6.976 -1.638 386 HG2 LYS 52 HG2 LYS 52 -6.341 -4.278 -1.227 387 HG3 LYS 52 HG3 LYS 52 -5.792 -4.271 -2.891 388 HD2 LYS 52 HD2 LYS 52 -7.879 -6.308 -2.138 389 HD3 LYS 52 HD3 LYS 52 -8.389 -4.634 -2.230 390 HE2 LYS 52 HE2 LYS 52 -8.689 -5.134 -4.457 391 HE3 LYS 52 HE3 LYS 52 -6.978 -4.768 -4.555 392 HZ1 LYS 52 HZ1 LYS 52 -6.470 -7.102 -4.379 393 HZ2 LYS 52 HZ2 LYS 52 -8.013 -7.506 -4.055 394 H GLY 53 H GLY 53 -2.543 -7.338 -1.530 395 HA2 GLY 53 HA2 GLY 53 -2.823 -9.765 -0.535 396 HA3 GLY 53 HA3 GLY 53 -1.262 -8.969 -0.567 397 H CYS 54 H CYS 54 -0.922 -7.328 1.386 398 HA CYS 54 HA CYS 54 -0.874 -8.828 3.690 399 HB2 CYS 54 HB2 CYS 54 0.567 -6.853 3.209 400 HB3 CYS 54 HB3 CYS 54 -0.806 -5.799 3.481 401 H HIS 55 H HIS 55 -3.199 -6.315 2.516 402 HA HIS 55 HA HIS 55 -4.742 -6.090 4.765 403 HB2 HIS 55 HB2 HIS 55 -5.449 -5.910 1.830 404 HB3 HIS 55 HB3 HIS 55 -6.592 -5.527 3.102 405 HD1 HIS 55 HD1 HIS 55 -6.225 -3.161 1.529 406 HD2 HIS 55 HD2 HIS 55 -3.346 -4.196 4.400 407 HE1 HIS 55 HE1 HIS 55 -4.930 -1.024 2.047 408 H GLU 56 H GLU 56 -5.720 -8.075 1.881 409 HA GLU 56 HA GLU 56 -7.641 -9.476 3.227 410 HB2 GLU 56 HB2 GLU 56 -7.030 -11.263 1.321 411 HB3 GLU 56 HB3 GLU 56 -7.838 -9.753 0.946 412 HG2 GLU 56 HG2 GLU 56 -5.959 -8.824 -0.051 413 HG3 GLU 56 HG3 GLU 56 -4.844 -9.645 1.023 414 HE2 GLU 56 HE2 GLU 56 -4.043 -11.559 0.316 415 H GLU 57 H GLU 57 -4.165 -9.739 3.393 416 HA GLU 57 HA GLU 57 -3.961 -12.428 4.043 417 HB2 GLU 57 HB2 GLU 57 -2.253 -10.074 3.997 418 HB3 GLU 57 HB3 GLU 57 -1.926 -11.008 5.443 419 HG2 GLU 57 HG2 GLU 57 -1.803 -11.959 2.552 420 HG3 GLU 57 HG3 GLU 57 -0.488 -11.880 3.707 421 HE2 GLU 57 HE2 GLU 57 -3.164 -13.690 2.706 422 H MET 58 H MET 58 -4.203 -9.470 6.138 423 HA MET 58 HA MET 58 -4.635 -11.229 8.398 424 HB2 MET 58 HB2 MET 58 -4.281 -8.185 8.195 425 HB3 MET 58 HB3 MET 58 -4.397 -9.068 9.704 426 HG2 MET 58 HG2 MET 58 -2.352 -10.239 7.943 427 HG3 MET 58 HG3 MET 58 -2.037 -8.541 8.240 428 HE1 MET 58 HE1 MET 58 -1.613 -7.458 10.174 429 HE2 MET 58 HE2 MET 58 -2.823 -7.904 11.401 430 HE3 MET 58 HE3 MET 58 -1.091 -8.152 11.728 431 H LYS 59 H LYS 59 -6.498 -9.945 5.987 432 HA LYS 59 HA LYS 59 -8.677 -9.663 5.750 433 HB2 LYS 59 HB2 LYS 59 -8.522 -11.094 8.314 434 HB3 LYS 59 HB3 LYS 59 -9.968 -10.119 8.148 435 HG2 LYS 59 HG2 LYS 59 -9.004 -12.058 5.996 436 HG3 LYS 59 HG3 LYS 59 -10.153 -12.502 7.242 437 HD2 LYS 59 HD2 LYS 59 -11.124 -10.055 6.154 438 HD3 LYS 59 HD3 LYS 59 -10.606 -11.005 4.776 439 HE2 LYS 59 HE2 LYS 59 -12.176 -12.693 5.159 440 HE3 LYS 59 HE3 LYS 59 -12.196 -12.435 6.893 441 HZ1 LYS 59 HZ1 LYS 59 -14.218 -11.630 5.614 442 HZ2 LYS 59 HZ2 LYS 59 -13.568 -10.534 6.628 443 H LYS 60 H LYS 60 -6.619 -7.735 7.293 444 HA LYS 60 HA LYS 60 -8.682 -5.824 8.130 445 HB2 LYS 60 HB2 LYS 60 -5.738 -5.858 8.855 446 HB3 LYS 60 HB3 LYS 60 -6.957 -4.765 9.477 447 HG2 LYS 60 HG2 LYS 60 -8.082 -7.284 9.959 448 HG3 LYS 60 HG3 LYS 60 -6.376 -7.562 10.244 449 HD2 LYS 60 HD2 LYS 60 -6.750 -6.700 12.321 450 HD3 LYS 60 HD3 LYS 60 -6.756 -5.135 11.533 451 HE2 LYS 60 HE2 LYS 60 -9.247 -6.865 11.915 452 HE3 LYS 60 HE3 LYS 60 -8.787 -5.557 12.988 453 HZ1 LYS 60 HZ1 LYS 60 -9.742 -4.135 11.559 454 HZ2 LYS 60 HZ2 LYS 60 -8.741 -4.579 10.354 455 H GLY 61 H GLY 61 -8.585 -3.650 7.349 456 HA2 GLY 61 HA2 GLY 61 -7.754 -1.955 6.011 457 HA3 GLY 61 HA3 GLY 61 -6.645 -3.073 5.244 458 HA PRO 62 HA PRO 62 -10.607 -2.274 2.706 459 HB2 PRO 62 HB2 PRO 62 -9.463 -0.652 0.786 460 HB3 PRO 62 HB3 PRO 62 -10.171 -0.030 2.312 461 HG2 PRO 62 HG2 PRO 62 -7.435 -0.716 1.625 462 HG3 PRO 62 HG3 PRO 62 -7.847 0.842 2.413 463 HD2 PRO 62 HD2 PRO 62 -6.874 -1.141 3.914 464 HD3 PRO 62 HD3 PRO 62 -8.339 -0.293 4.496 465 H THR 63 H THR 63 -10.931 -4.083 1.414 466 HA THR 63 HA THR 63 -8.652 -4.887 -0.272 467 HB THR 63 HB THR 63 -9.259 -7.216 0.213 468 HG1 THR 63 HG1 THR 63 -11.523 -7.069 0.435 469 HG21 THR 63 HG21 THR 63 -8.469 -5.394 2.299 470 HG22 THR 63 HG22 THR 63 -9.675 -6.504 2.992 471 HG23 THR 63 HG23 THR 63 -8.200 -7.152 2.235 472 H LYS 64 H LYS 64 -11.796 -3.646 -0.152 473 HA LYS 64 HA LYS 64 -12.557 -4.951 -2.647 474 HB2 LYS 64 HB2 LYS 64 -14.179 -3.044 -0.942 475 HB3 LYS 64 HB3 LYS 64 -14.758 -4.061 -2.246 476 HG2 LYS 64 HG2 LYS 64 -13.372 -5.777 -0.406 477 HG3 LYS 64 HG3 LYS 64 -14.405 -4.735 0.552 478 HD2 LYS 64 HD2 LYS 64 -16.088 -5.421 -1.554 479 HD3 LYS 64 HD3 LYS 64 -15.144 -6.884 -1.361 480 HE2 LYS 64 HE2 LYS 64 -16.122 -5.647 1.182 481 HE3 LYS 64 HE3 LYS 64 -17.368 -6.295 0.134 482 HZ1 LYS 64 HZ1 LYS 64 -16.396 -8.434 0.237 483 HZ2 LYS 64 HZ2 LYS 64 -14.975 -7.896 0.823 484 H CYS 65 H CYS 65 -13.303 -3.603 -4.479 485 HA CYS 65 HA CYS 65 -11.401 -1.593 -5.011 486 HB2 CYS 65 HB2 CYS 65 -13.843 -1.797 -6.690 487 HB3 CYS 65 HB3 CYS 65 -12.161 -1.635 -7.155 488 H GLY 66 H GLY 66 -11.980 0.706 -5.598 489 HA2 GLY 66 HA2 GLY 66 -13.267 2.603 -5.423 490 HA3 GLY 66 HA3 GLY 66 -14.486 1.720 -4.525 491 H GLU 67 H GLU 67 -12.600 0.499 -2.586 492 HA GLU 67 HA GLU 67 -12.564 2.660 -0.776 493 HB2 GLU 67 HB2 GLU 67 -12.656 -0.102 -0.566 494 HB3 GLU 67 HB3 GLU 67 -11.017 0.236 -0.046 495 HG2 GLU 67 HG2 GLU 67 -11.907 1.937 1.584 496 HG3 GLU 67 HG3 GLU 67 -13.539 1.536 1.088 497 HE2 GLU 67 HE2 GLU 67 -12.220 -1.768 1.555 498 H CYS 68 H CYS 68 -10.347 1.416 -3.145 499 HA CYS 68 HA CYS 68 -8.151 2.839 -1.830 500 HB2 CYS 68 HB2 CYS 68 -8.272 0.275 -3.207 501 HB3 CYS 68 HB3 CYS 68 -7.078 1.329 -3.938 502 H HIS 69 H HIS 69 -9.793 2.113 -4.985 503 HA HIS 69 HA HIS 69 -8.476 4.384 -6.189 504 HB2 HIS 69 HB2 HIS 69 -10.446 2.383 -7.330 505 HB3 HIS 69 HB3 HIS 69 -9.616 3.624 -8.247 506 HD1 HIS 69 HD1 HIS 69 -6.843 3.411 -8.143 507 HD2 HIS 69 HD2 HIS 69 -9.101 0.000 -7.216 508 HE1 HIS 69 HE1 HIS 69 -5.262 1.422 -8.379 509 H LYS 70 H LYS 70 -9.278 6.329 -5.500 510 HA LYS 70 HA LYS 70 -12.205 6.592 -5.550 511 HB2 LYS 70 HB2 LYS 70 -10.126 7.792 -3.724 512 HB3 LYS 70 HB3 LYS 70 -11.685 8.560 -3.947 513 HG2 LYS 70 HG2 LYS 70 -12.111 5.722 -3.536 514 HG3 LYS 70 HG3 LYS 70 -11.044 6.311 -2.277 515 HD2 LYS 70 HD2 LYS 70 -12.743 8.275 -2.004 516 HD3 LYS 70 HD3 LYS 70 -13.836 7.304 -2.971 517 HE2 LYS 70 HE2 LYS 70 -14.076 5.662 -1.320 518 HE3 LYS 70 HE3 LYS 70 -12.485 5.949 -0.644 519 HZ1 LYS 70 HZ1 LYS 70 -14.885 7.653 -0.288 520 HZ2 LYS 70 HZ2 LYS 70 -14.066 6.855 0.872 521 H LYS 71 H LYS 71 -12.934 7.719 -7.264 522 HA LYS 71 HA LYS 71 -11.224 9.032 -9.025 523 HB2 LYS 71 HB2 LYS 71 -14.224 9.113 -8.636 524 HB3 LYS 71 HB3 LYS 71 -13.414 9.969 -9.932 525 HG2 LYS 71 HG2 LYS 71 -12.920 8.038 -11.091 526 HG3 LYS 71 HG3 LYS 71 -12.584 7.122 -9.635 527 HD2 LYS 71 HD2 LYS 71 -14.986 6.847 -9.184 528 HD3 LYS 71 HD3 LYS 71 -15.400 7.912 -10.512 529 HE2 LYS 71 HE2 LYS 71 -13.658 5.563 -11.191 530 HE3 LYS 71 HE3 LYS 71 -15.315 5.198 -10.754 531 HZ1 LYS 71 HZ1 LYS 71 -15.074 7.406 -12.600 532 HZ2 LYS 71 HZ2 LYS 71 -14.533 5.998 -13.214 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 4.538 14.926 2.797 2 HA ALA 1 HA ALA 1 6.086 13.064 3.082 3 HB1 ALA 1 HB1 ALA 1 5.991 14.469 4.973 4 HB2 ALA 1 HB2 ALA 1 4.331 13.969 5.376 5 HB3 ALA 1 HB3 ALA 1 5.687 12.847 5.640 6 H ASP 2 H ASP 2 3.957 11.848 5.539 7 HA ASP 2 HA ASP 2 4.213 9.261 4.720 8 HB2 ASP 2 HB2 ASP 2 1.673 9.937 6.135 9 HB3 ASP 2 HB3 ASP 2 2.903 8.764 6.561 10 HD2 ASP 2 HD2 ASP 2 1.610 11.010 8.147 11 H ASP 3 H ASP 3 1.813 11.790 3.908 12 HA ASP 3 HA ASP 3 -0.060 10.032 2.775 13 HB2 ASP 3 HB2 ASP 3 0.077 12.815 1.718 14 HB3 ASP 3 HB3 ASP 3 -1.291 11.946 2.384 15 HD2 ASP 3 HD2 ASP 3 1.247 14.116 3.212 16 H ILE 4 H ILE 4 0.246 8.929 0.835 17 HA ILE 4 HA ILE 4 1.802 10.296 -1.241 18 HB ILE 4 HB ILE 4 2.012 7.386 -0.457 19 HG12 ILE 4 HG12 ILE 4 3.809 9.768 -0.014 20 HG13 ILE 4 HG13 ILE 4 3.220 8.603 1.156 21 HG21 ILE 4 HG21 ILE 4 3.378 7.006 -2.274 22 HG22 ILE 4 HG22 ILE 4 2.166 8.113 -2.963 23 HG23 ILE 4 HG23 ILE 4 3.766 8.730 -2.486 24 HD11 ILE 4 HD11 ILE 4 4.525 6.814 -0.197 25 HD12 ILE 4 HD12 ILE 4 5.321 8.188 -1.002 26 HD13 ILE 4 HD13 ILE 4 5.484 7.970 0.757 27 H VAL 5 H VAL 5 0.751 10.446 -3.160 28 HA VAL 5 HA VAL 5 -1.738 8.922 -3.377 29 HB VAL 5 HB VAL 5 -0.756 11.424 -4.764 30 HG11 VAL 5 HG11 VAL 5 -3.419 11.345 -5.277 31 HG12 VAL 5 HG12 VAL 5 -2.172 10.732 -6.390 32 HG13 VAL 5 HG13 VAL 5 -3.035 9.607 -5.313 33 HG21 VAL 5 HG21 VAL 5 -1.309 12.026 -2.556 34 HG22 VAL 5 HG22 VAL 5 -2.770 12.402 -3.501 35 HG23 VAL 5 HG23 VAL 5 -2.706 10.925 -2.509 36 H LEU 6 H LEU 6 -1.774 7.166 -4.674 37 HA LEU 6 HA LEU 6 0.414 6.891 -6.589 38 HB2 LEU 6 HB2 LEU 6 -1.543 4.846 -5.530 39 HB3 LEU 6 HB3 LEU 6 -0.206 4.525 -6.618 40 HG LEU 6 HG LEU 6 0.211 5.699 -3.864 41 HD11 LEU 6 HD11 LEU 6 0.770 3.379 -3.131 42 HD12 LEU 6 HD12 LEU 6 -0.955 3.641 -3.481 43 HD13 LEU 6 HD13 LEU 6 0.069 2.779 -4.653 44 HD21 LEU 6 HD21 LEU 6 1.925 5.103 -6.087 45 HD22 LEU 6 HD22 LEU 6 2.325 5.836 -4.515 46 HD23 LEU 6 HD23 LEU 6 2.361 4.067 -4.707 47 H LYS 7 H LYS 7 0.003 7.659 -8.589 48 HA LYS 7 HA LYS 7 -2.591 8.187 -9.502 49 HB2 LYS 7 HB2 LYS 7 0.074 7.992 -10.929 50 HB3 LYS 7 HB3 LYS 7 -1.406 8.508 -11.713 51 HG2 LYS 7 HG2 LYS 7 -1.315 10.576 -10.759 52 HG3 LYS 7 HG3 LYS 7 -1.009 9.917 -9.164 53 HD2 LYS 7 HD2 LYS 7 1.213 9.884 -11.221 54 HD3 LYS 7 HD3 LYS 7 0.842 11.382 -10.391 55 HE2 LYS 7 HE2 LYS 7 0.895 9.425 -8.340 56 HE3 LYS 7 HE3 LYS 7 2.239 9.007 -9.384 57 HZ1 LYS 7 HZ1 LYS 7 2.138 11.823 -8.960 58 HZ2 LYS 7 HZ2 LYS 7 2.201 11.046 -7.530 59 H ALA 8 H ALA 8 -4.048 7.024 -10.724 60 HA ALA 8 HA ALA 8 -3.185 4.478 -11.819 61 HB1 ALA 8 HB1 ALA 8 -4.402 4.636 -9.279 62 HB2 ALA 8 HB2 ALA 8 -5.697 4.135 -10.393 63 HB3 ALA 8 HB3 ALA 8 -4.197 3.182 -10.285 64 H LYS 9 H LYS 9 -4.364 3.905 -13.657 65 HA LYS 9 HA LYS 9 -5.935 6.008 -14.777 66 HB2 LYS 9 HB2 LYS 9 -5.995 4.592 -16.756 67 HB3 LYS 9 HB3 LYS 9 -4.363 4.713 -16.129 68 HG2 LYS 9 HG2 LYS 9 -4.439 2.503 -15.184 69 HG3 LYS 9 HG3 LYS 9 -6.184 2.413 -15.323 70 HD2 LYS 9 HD2 LYS 9 -5.687 1.203 -17.217 71 HD3 LYS 9 HD3 LYS 9 -5.591 2.794 -17.946 72 HE2 LYS 9 HE2 LYS 9 -3.203 2.836 -17.844 73 HE3 LYS 9 HE3 LYS 9 -3.138 1.557 -16.647 74 HZ1 LYS 9 HZ1 LYS 9 -3.988 1.208 -19.473 75 HZ2 LYS 9 HZ2 LYS 9 -2.582 0.691 -18.835 76 H ASN 10 H ASN 10 -6.627 3.784 -12.420 77 HA ASN 10 HA ASN 10 -9.394 3.649 -13.327 78 HB2 ASN 10 HB2 ASN 10 -7.756 1.453 -12.910 79 HB3 ASN 10 HB3 ASN 10 -8.476 1.625 -11.322 80 HD21 ASN 10 HD21 ASN 10 -10.019 0.191 -11.138 81 HD22 ASN 10 HD22 ASN 10 -11.291 -0.131 -12.269 82 H GLY 11 H GLY 11 -7.929 5.712 -11.711 83 HA2 GLY 11 HA2 GLY 11 -8.958 6.981 -10.003 84 HA3 GLY 11 HA3 GLY 11 -9.526 5.508 -9.244 85 H ASP 12 H ASP 12 -7.419 7.971 -8.779 86 HA ASP 12 HA ASP 12 -4.998 6.780 -8.271 87 HB2 ASP 12 HB2 ASP 12 -4.501 8.758 -6.952 88 HB3 ASP 12 HB3 ASP 12 -5.488 9.253 -8.312 89 HD2 ASP 12 HD2 ASP 12 -8.167 9.064 -7.212 90 H VAL 13 H VAL 13 -4.021 6.297 -6.058 91 HA VAL 13 HA VAL 13 -6.078 5.352 -4.183 92 HB VAL 13 HB VAL 13 -3.419 4.089 -4.875 93 HG11 VAL 13 HG11 VAL 13 -5.595 3.209 -2.948 94 HG12 VAL 13 HG12 VAL 13 -4.185 2.232 -3.421 95 HG13 VAL 13 HG13 VAL 13 -3.954 3.753 -2.526 96 HG21 VAL 13 HG21 VAL 13 -5.158 3.843 -6.637 97 HG22 VAL 13 HG22 VAL 13 -4.700 2.296 -5.886 98 HG23 VAL 13 HG23 VAL 13 -6.230 3.086 -5.434 99 H LYS 14 H LYS 14 -5.966 6.226 -2.174 100 HA LYS 14 HA LYS 14 -3.662 7.909 -1.614 101 HB2 LYS 14 HB2 LYS 14 -6.088 8.682 -1.421 102 HB3 LYS 14 HB3 LYS 14 -6.210 7.659 -0.004 103 HG2 LYS 14 HG2 LYS 14 -4.096 9.836 -0.358 104 HG3 LYS 14 HG3 LYS 14 -5.602 10.066 0.508 105 HD2 LYS 14 HD2 LYS 14 -4.576 7.713 1.640 106 HD3 LYS 14 HD3 LYS 14 -3.139 8.677 1.365 107 HE2 LYS 14 HE2 LYS 14 -4.992 10.528 2.408 108 HE3 LYS 14 HE3 LYS 14 -5.298 9.070 3.330 109 HZ1 LYS 14 HZ1 LYS 14 -3.403 10.690 4.058 110 HZ2 LYS 14 HZ2 LYS 14 -3.156 9.086 4.185 111 H PHE 15 H PHE 15 -1.943 6.926 -0.690 112 HA PHE 15 HA PHE 15 -2.537 4.812 1.257 113 HB2 PHE 15 HB2 PHE 15 -1.210 4.143 -0.756 114 HB3 PHE 15 HB3 PHE 15 -0.120 5.495 -0.520 115 HD1 PHE 15 HD1 PHE 15 -1.409 2.651 1.545 116 HD2 PHE 15 HD2 PHE 15 1.946 4.935 0.306 117 HE1 PHE 15 HE1 PHE 15 0.094 1.197 2.933 118 HE2 PHE 15 HE2 PHE 15 3.449 3.481 1.694 119 HZ PHE 15 HZ PHE 15 2.505 1.629 2.991 120 HA PRO 16 HA PRO 16 -0.880 7.755 4.160 121 HB2 PRO 16 HB2 PRO 16 -1.742 6.461 6.400 122 HB3 PRO 16 HB3 PRO 16 -2.879 7.289 5.287 123 HG2 PRO 16 HG2 PRO 16 -2.201 4.581 5.547 124 HG3 PRO 16 HG3 PRO 16 -3.885 5.100 5.209 125 HD2 PRO 16 HD2 PRO 16 -2.190 4.035 3.287 126 HD3 PRO 16 HD3 PRO 16 -3.450 5.245 2.898 127 H HIS 17 H HIS 17 1.411 7.423 3.793 128 HA HIS 17 HA HIS 17 2.573 4.967 4.683 129 HB2 HIS 17 HB2 HIS 17 3.398 6.187 2.708 130 HB3 HIS 17 HB3 HIS 17 3.844 7.546 3.721 131 HD1 HIS 17 HD1 HIS 17 5.788 7.042 5.561 132 HD2 HIS 17 HD2 HIS 17 5.311 4.207 2.506 133 HE1 HIS 17 HE1 HIS 17 7.922 5.643 5.544 134 H LYS 18 H LYS 18 1.174 5.876 6.831 135 HA LYS 18 HA LYS 18 3.340 6.641 8.626 136 HB2 LYS 18 HB2 LYS 18 2.487 8.758 8.508 137 HB3 LYS 18 HB3 LYS 18 0.877 8.221 8.074 138 HG2 LYS 18 HG2 LYS 18 0.502 7.418 10.406 139 HG3 LYS 18 HG3 LYS 18 2.124 7.915 10.847 140 HD2 LYS 18 HD2 LYS 18 0.758 9.725 11.562 141 HD3 LYS 18 HD3 LYS 18 1.454 10.292 10.057 142 HE2 LYS 18 HE2 LYS 18 -0.716 10.762 9.491 143 HE3 LYS 18 HE3 LYS 18 -0.805 9.057 9.099 144 HZ1 LYS 18 HZ1 LYS 18 -1.984 10.456 11.337 145 HZ2 LYS 18 HZ2 LYS 18 -2.467 9.075 10.622 146 H ALA 19 H ALA 19 -0.244 6.017 8.697 147 HA ALA 19 HA ALA 19 -0.232 4.679 11.105 148 HB1 ALA 19 HB1 ALA 19 -2.440 3.956 10.480 149 HB2 ALA 19 HB2 ALA 19 -2.198 5.570 9.770 150 HB3 ALA 19 HB3 ALA 19 -2.068 4.119 8.747 151 H HIS 20 H HIS 20 0.897 3.676 7.934 152 HA HIS 20 HA HIS 20 0.729 0.884 8.534 153 HB2 HIS 20 HB2 HIS 20 1.842 2.531 6.274 154 HB3 HIS 20 HB3 HIS 20 2.234 0.828 6.402 155 HD1 HIS 20 HD1 HIS 20 -0.658 3.167 5.748 156 HD2 HIS 20 HD2 HIS 20 0.137 -0.951 5.787 157 HE1 HIS 20 HE1 HIS 20 -2.673 2.040 4.664 158 H GLN 21 H GLN 21 2.515 3.271 9.897 159 HA GLN 21 HA GLN 21 5.002 1.793 9.848 160 HB2 GLN 21 HB2 GLN 21 4.284 4.525 10.995 161 HB3 GLN 21 HB3 GLN 21 5.878 3.808 11.112 162 HG2 GLN 21 HG2 GLN 21 6.194 3.850 8.725 163 HG3 GLN 21 HG3 GLN 21 4.493 4.140 8.423 164 HE21 GLN 21 HE21 GLN 21 6.731 5.658 7.491 165 HE22 GLN 21 HE22 GLN 21 6.583 7.277 8.089 166 H LYS 22 H LYS 22 2.652 3.215 12.229 167 HA LYS 22 HA LYS 22 3.849 1.935 14.442 168 HB2 LYS 22 HB2 LYS 22 1.192 3.306 13.991 169 HB3 LYS 22 HB3 LYS 22 1.613 2.576 15.527 170 HG2 LYS 22 HG2 LYS 22 3.716 4.343 14.347 171 HG3 LYS 22 HG3 LYS 22 2.241 5.161 14.823 172 HD2 LYS 22 HD2 LYS 22 2.852 3.345 16.944 173 HD3 LYS 22 HD3 LYS 22 4.370 4.106 16.509 174 HE2 LYS 22 HE2 LYS 22 3.587 5.713 17.986 175 HE3 LYS 22 HE3 LYS 22 2.862 6.334 16.516 176 HZ1 LYS 22 HZ1 LYS 22 0.819 5.105 17.091 177 HZ2 LYS 22 HZ2 LYS 22 1.494 4.562 18.470 178 H ALA 23 H ALA 23 1.585 0.940 11.936 179 HA ALA 23 HA ALA 23 0.613 -1.298 13.468 180 HB1 ALA 23 HB1 ALA 23 -0.442 0.192 11.466 181 HB2 ALA 23 HB2 ALA 23 0.243 -1.146 10.512 182 HB3 ALA 23 HB3 ALA 23 -0.940 -1.484 11.798 183 H VAL 24 H VAL 24 3.201 -0.520 11.175 184 HA VAL 24 HA VAL 24 4.174 -3.250 11.508 185 HB VAL 24 HB VAL 24 3.925 -1.819 8.855 186 HG11 VAL 24 HG11 VAL 24 5.309 -3.332 7.917 187 HG12 VAL 24 HG12 VAL 24 5.903 -3.569 9.578 188 HG13 VAL 24 HG13 VAL 24 4.679 -4.672 8.904 189 HG21 VAL 24 HG21 VAL 24 2.238 -3.811 10.251 190 HG22 VAL 24 HG22 VAL 24 1.825 -2.646 8.970 191 HG23 VAL 24 HG23 VAL 24 2.614 -4.186 8.551 192 HA PRO 25 HA PRO 25 6.998 0.324 12.696 193 HB2 PRO 25 HB2 PRO 25 7.751 -2.094 14.398 194 HB3 PRO 25 HB3 PRO 25 7.779 -0.344 14.790 195 HG2 PRO 25 HG2 PRO 25 5.409 -1.739 15.638 196 HG3 PRO 25 HG3 PRO 25 5.747 -0.185 14.808 197 HD2 PRO 25 HD2 PRO 25 4.955 -2.897 13.578 198 HD3 PRO 25 HD3 PRO 25 4.077 -1.342 13.448 199 H ASP 26 H ASP 26 7.305 -3.058 11.565 200 HA ASP 26 HA ASP 26 10.098 -2.803 11.147 201 HB2 ASP 26 HB2 ASP 26 8.976 -4.994 11.557 202 HB3 ASP 26 HB3 ASP 26 8.061 -4.812 10.074 203 HD2 ASP 26 HD2 ASP 26 9.269 -6.970 9.949 204 H CYS 27 H CYS 27 10.879 -1.501 9.480 205 HA CYS 27 HA CYS 27 9.148 -0.871 7.276 206 HB2 CYS 27 HB2 CYS 27 12.014 -0.012 7.444 207 HB3 CYS 27 HB3 CYS 27 10.642 0.815 6.733 208 H LYS 28 H LYS 28 11.501 -3.252 8.154 209 HA LYS 28 HA LYS 28 12.547 -3.681 5.529 210 HB2 LYS 28 HB2 LYS 28 12.667 -5.444 7.995 211 HB3 LYS 28 HB3 LYS 28 13.639 -5.617 6.547 212 HG2 LYS 28 HG2 LYS 28 14.068 -2.947 7.205 213 HG3 LYS 28 HG3 LYS 28 13.916 -3.686 8.787 214 HD2 LYS 28 HD2 LYS 28 15.577 -5.310 6.970 215 HD3 LYS 28 HD3 LYS 28 16.213 -3.688 7.162 216 HE2 LYS 28 HE2 LYS 28 15.436 -5.496 9.501 217 HE3 LYS 28 HE3 LYS 28 17.068 -5.354 8.879 218 HZ1 LYS 28 HZ1 LYS 28 16.392 -3.831 10.813 219 HZ2 LYS 28 HZ2 LYS 28 17.196 -3.129 9.583 220 H LYS 29 H LYS 29 9.513 -4.144 6.896 221 HA LYS 29 HA LYS 29 8.904 -6.726 5.938 222 HB2 LYS 29 HB2 LYS 29 7.473 -4.441 7.145 223 HB3 LYS 29 HB3 LYS 29 6.499 -5.425 6.072 224 HG2 LYS 29 HG2 LYS 29 8.236 -6.620 8.277 225 HG3 LYS 29 HG3 LYS 29 6.563 -6.166 8.533 226 HD2 LYS 29 HD2 LYS 29 6.664 -7.724 6.114 227 HD3 LYS 29 HD3 LYS 29 7.608 -8.576 7.320 228 HE2 LYS 29 HE2 LYS 29 5.675 -9.323 8.243 229 HE3 LYS 29 HE3 LYS 29 5.294 -7.676 8.703 230 HZ1 LYS 29 HZ1 LYS 29 3.732 -7.587 7.102 231 HZ2 LYS 29 HZ2 LYS 29 4.733 -8.130 5.938 232 H CYS 30 H CYS 30 8.269 -3.397 4.635 233 HA CYS 30 HA CYS 30 7.520 -4.624 2.115 234 HB2 CYS 30 HB2 CYS 30 7.496 -1.671 2.787 235 HB3 CYS 30 HB3 CYS 30 6.658 -2.484 1.481 236 H HIS 31 H HIS 31 9.787 -2.122 3.475 237 HA HIS 31 HA HIS 31 11.248 -1.957 1.049 238 HB2 HIS 31 HB2 HIS 31 11.903 -0.984 3.844 239 HB3 HIS 31 HB3 HIS 31 12.799 -0.566 2.397 240 HD1 HIS 31 HD1 HIS 31 11.012 0.492 0.403 241 HD2 HIS 31 HD2 HIS 31 10.091 0.945 4.471 242 HE1 HIS 31 HE1 HIS 31 9.362 2.432 0.551 243 H GLU 32 H GLU 32 12.237 -3.809 0.336 244 HA GLU 32 HA GLU 32 13.440 -5.554 2.250 245 HB2 GLU 32 HB2 GLU 32 12.392 -5.804 -0.371 246 HB3 GLU 32 HB3 GLU 32 14.104 -6.140 -0.535 247 HG2 GLU 32 HG2 GLU 32 13.236 -8.260 0.008 248 HG3 GLU 32 HG3 GLU 32 13.792 -7.682 1.566 249 HE2 GLU 32 HE2 GLU 32 11.258 -6.722 2.926 250 H LYS 33 H LYS 33 14.531 -3.453 -0.499 251 HA LYS 33 HA LYS 33 17.285 -3.854 0.340 252 HB2 LYS 33 HB2 LYS 33 16.065 -2.471 -2.066 253 HB3 LYS 33 HB3 LYS 33 17.785 -2.560 -1.745 254 HG2 LYS 33 HG2 LYS 33 16.996 -5.218 -1.447 255 HG3 LYS 33 HG3 LYS 33 15.940 -4.663 -2.730 256 HD2 LYS 33 HD2 LYS 33 17.644 -4.702 -4.227 257 HD3 LYS 33 HD3 LYS 33 18.608 -3.637 -3.223 258 HE2 LYS 33 HE2 LYS 33 19.839 -5.721 -3.513 259 HE3 LYS 33 HE3 LYS 33 19.319 -5.628 -1.843 260 HZ1 LYS 33 HZ1 LYS 33 18.175 -7.307 -3.987 261 HZ2 LYS 33 HZ2 LYS 33 18.716 -7.776 -2.525 262 H GLY 34 H GLY 34 15.390 -2.486 2.131 263 HA2 GLY 34 HA2 GLY 34 15.759 -0.779 3.612 264 HA3 GLY 34 HA3 GLY 34 16.956 -0.079 2.539 265 HA PRO 35 HA PRO 35 12.799 2.281 2.629 266 HB2 PRO 35 HB2 PRO 35 14.100 4.699 3.159 267 HB3 PRO 35 HB3 PRO 35 13.432 3.597 4.407 268 HG2 PRO 35 HG2 PRO 35 16.184 3.692 3.318 269 HG3 PRO 35 HG3 PRO 35 15.998 3.649 5.101 270 HD2 PRO 35 HD2 PRO 35 16.475 1.345 4.033 271 HD3 PRO 35 HD3 PRO 35 14.908 1.414 4.894 272 H GLY 36 H GLY 36 12.072 3.418 0.765 273 HA2 GLY 36 HA2 GLY 36 13.044 5.077 -0.927 274 HA3 GLY 36 HA3 GLY 36 14.127 3.757 -1.319 275 H LYS 37 H LYS 37 12.934 4.248 -3.502 276 HA LYS 37 HA LYS 37 10.258 3.430 -3.770 277 HB2 LYS 37 HB2 LYS 37 12.528 4.056 -5.618 278 HB3 LYS 37 HB3 LYS 37 11.138 3.211 -6.267 279 HG2 LYS 37 HG2 LYS 37 10.146 5.248 -6.463 280 HG3 LYS 37 HG3 LYS 37 9.955 5.217 -4.721 281 HD2 LYS 37 HD2 LYS 37 11.290 7.046 -4.607 282 HD3 LYS 37 HD3 LYS 37 12.632 6.037 -5.109 283 HE2 LYS 37 HE2 LYS 37 10.916 6.844 -7.379 284 HE3 LYS 37 HE3 LYS 37 11.595 8.219 -6.531 285 HZ1 LYS 37 HZ1 LYS 37 13.052 6.027 -7.864 286 HZ2 LYS 37 HZ2 LYS 37 13.250 7.632 -8.055 287 H ILE 38 H ILE 38 9.406 1.486 -4.774 288 HA ILE 38 HA ILE 38 11.155 -0.811 -4.245 289 HB ILE 38 HB ILE 38 8.142 -0.605 -4.212 290 HG12 ILE 38 HG12 ILE 38 10.047 -1.023 -1.893 291 HG13 ILE 38 HG13 ILE 38 9.371 0.534 -2.330 292 HG21 ILE 38 HG21 ILE 38 10.018 -2.937 -3.811 293 HG22 ILE 38 HG22 ILE 38 8.356 -2.919 -3.174 294 HG23 ILE 38 HG23 ILE 38 8.638 -2.793 -4.926 295 HD11 ILE 38 HD11 ILE 38 7.048 -0.522 -2.144 296 HD12 ILE 38 HD12 ILE 38 7.846 -1.955 -1.453 297 HD13 ILE 38 HD13 ILE 38 7.947 -0.389 -0.613 298 H GLU 39 H GLU 39 11.952 -1.818 -6.003 299 HA GLU 39 HA GLU 39 10.833 -1.166 -8.545 300 HB2 GLU 39 HB2 GLU 39 13.171 -2.931 -7.705 301 HB3 GLU 39 HB3 GLU 39 12.720 -2.670 -9.378 302 HG2 GLU 39 HG2 GLU 39 13.182 -0.291 -7.552 303 HG3 GLU 39 HG3 GLU 39 14.551 -1.123 -8.261 304 HE2 GLU 39 HE2 GLU 39 14.210 1.461 -9.982 305 H GLY 40 H GLY 40 9.552 -2.467 -9.854 306 HA2 GLY 40 HA2 GLY 40 8.826 -4.597 -10.583 307 HA3 GLY 40 HA3 GLY 40 9.100 -5.244 -8.978 308 H PHE 41 H PHE 41 7.891 -3.045 -7.465 309 HA PHE 41 HA PHE 41 5.401 -3.886 -7.064 310 HB2 PHE 41 HB2 PHE 41 6.673 -2.062 -5.845 311 HB3 PHE 41 HB3 PHE 41 6.420 -0.984 -7.203 312 HD1 PHE 41 HD1 PHE 41 4.835 -2.610 -4.332 313 HD2 PHE 41 HD2 PHE 41 4.264 0.056 -7.584 314 HE1 PHE 41 HE1 PHE 41 2.688 -1.815 -3.303 315 HE2 PHE 41 HE2 PHE 41 2.117 0.851 -6.556 316 HZ PHE 41 HZ PHE 41 1.355 -0.094 -4.427 317 H GLY 42 H GLY 42 3.222 -2.890 -7.571 318 HA2 GLY 42 HA2 GLY 42 2.572 -1.215 -9.586 319 HA3 GLY 42 HA3 GLY 42 2.929 -2.703 -10.439 320 H LYS 43 H LYS 43 0.701 -2.948 -11.091 321 HA LYS 43 HA LYS 43 -1.425 -2.915 -9.284 322 HB2 LYS 43 HB2 LYS 43 -1.449 -2.754 -11.837 323 HB3 LYS 43 HB3 LYS 43 -1.316 -4.501 -11.856 324 HG2 LYS 43 HG2 LYS 43 -3.354 -4.116 -10.007 325 HG3 LYS 43 HG3 LYS 43 -3.632 -2.791 -11.119 326 HD2 LYS 43 HD2 LYS 43 -3.072 -5.031 -12.773 327 HD3 LYS 43 HD3 LYS 43 -4.108 -5.654 -11.504 328 HE2 LYS 43 HE2 LYS 43 -5.797 -3.912 -11.962 329 HE3 LYS 43 HE3 LYS 43 -4.742 -3.150 -13.136 330 HZ1 LYS 43 HZ1 LYS 43 -6.058 -5.790 -13.368 331 HZ2 LYS 43 HZ2 LYS 43 -6.185 -4.521 -14.380 332 H GLU 44 H GLU 44 -0.305 -5.904 -10.989 333 HA GLU 44 HA GLU 44 -1.389 -7.728 -9.465 334 HB2 GLU 44 HB2 GLU 44 1.378 -7.648 -10.693 335 HB3 GLU 44 HB3 GLU 44 0.855 -9.072 -9.816 336 HG2 GLU 44 HG2 GLU 44 0.383 -8.731 -12.466 337 HG3 GLU 44 HG3 GLU 44 -0.664 -9.686 -11.434 338 HE2 GLU 44 HE2 GLU 44 -0.471 -6.905 -13.292 339 H MET 45 H MET 45 1.402 -5.703 -8.522 340 HA MET 45 HA MET 45 2.005 -7.195 -6.218 341 HB2 MET 45 HB2 MET 45 3.269 -5.244 -7.653 342 HB3 MET 45 HB3 MET 45 2.593 -4.234 -6.391 343 HG2 MET 45 HG2 MET 45 4.643 -4.827 -5.423 344 HG3 MET 45 HG3 MET 45 3.599 -6.063 -4.750 345 HE1 MET 45 HE1 MET 45 6.976 -6.250 -5.287 346 HE2 MET 45 HE2 MET 45 5.868 -7.166 -4.238 347 HE3 MET 45 HE3 MET 45 6.881 -8.022 -5.425 348 H ALA 46 H ALA 46 0.395 -3.959 -6.674 349 HA ALA 46 HA ALA 46 -0.276 -3.511 -4.057 350 HB1 ALA 46 HB1 ALA 46 -1.496 -2.752 -6.715 351 HB2 ALA 46 HB2 ALA 46 -2.263 -2.243 -5.192 352 HB3 ALA 46 HB3 ALA 46 -0.596 -1.740 -5.561 353 H HIS 47 H HIS 47 -2.199 -5.240 -6.606 354 HA HIS 47 HA HIS 47 -4.238 -5.918 -4.760 355 HB2 HIS 47 HB2 HIS 47 -3.623 -7.084 -7.490 356 HB3 HIS 47 HB3 HIS 47 -5.118 -7.280 -6.597 357 HD1 HIS 47 HD1 HIS 47 -4.749 -5.867 -9.472 358 HD2 HIS 47 HD2 HIS 47 -5.287 -3.948 -5.781 359 HE1 HIS 47 HE1 HIS 47 -5.702 -3.559 -9.998 360 H GLY 48 H GLY 48 -1.217 -7.418 -5.925 361 HA2 GLY 48 HA2 GLY 48 -1.781 -10.003 -4.819 362 HA3 GLY 48 HA3 GLY 48 -0.257 -9.416 -5.454 363 H LYS 49 H LYS 49 1.201 -9.906 -3.832 364 HA LYS 49 HA LYS 49 0.469 -9.395 -1.088 365 HB2 LYS 49 HB2 LYS 49 2.515 -10.512 -0.534 366 HB3 LYS 49 HB3 LYS 49 1.704 -11.438 -1.782 367 HG2 LYS 49 HG2 LYS 49 3.291 -10.925 -3.404 368 HG3 LYS 49 HG3 LYS 49 3.637 -9.345 -2.728 369 HD2 LYS 49 HD2 LYS 49 4.652 -10.711 -0.701 370 HD3 LYS 49 HD3 LYS 49 4.682 -12.049 -1.833 371 HE2 LYS 49 HE2 LYS 49 5.939 -9.324 -2.409 372 HE3 LYS 49 HE3 LYS 49 6.830 -10.680 -1.748 373 HZ1 LYS 49 HZ1 LYS 49 7.148 -10.926 -4.023 374 HZ2 LYS 49 HZ2 LYS 49 5.871 -11.915 -3.815 375 H GLY 50 H GLY 50 0.286 -7.034 -2.542 376 HA2 GLY 50 HA2 GLY 50 2.741 -5.583 -1.754 377 HA3 GLY 50 HA3 GLY 50 1.703 -5.144 -3.096 378 H CYS 51 H CYS 51 -0.843 -5.134 -2.238 379 HA CYS 51 HA CYS 51 -0.773 -3.448 0.159 380 HB2 CYS 51 HB2 CYS 51 -2.502 -3.122 -2.302 381 HB3 CYS 51 HB3 CYS 51 -2.678 -2.200 -0.823 382 H LYS 52 H LYS 52 -3.505 -4.666 -1.869 383 HA LYS 52 HA LYS 52 -5.136 -5.400 0.163 384 HB2 LYS 52 HB2 LYS 52 -4.821 -6.405 -2.657 385 HB3 LYS 52 HB3 LYS 52 -6.018 -7.116 -1.594 386 HG2 LYS 52 HG2 LYS 52 -6.362 -4.356 -1.196 387 HG3 LYS 52 HG3 LYS 52 -6.016 -4.474 -2.910 388 HD2 LYS 52 HD2 LYS 52 -8.080 -6.254 -1.544 389 HD3 LYS 52 HD3 LYS 52 -8.495 -4.686 -2.208 390 HE2 LYS 52 HE2 LYS 52 -7.011 -5.978 -4.258 391 HE3 LYS 52 HE3 LYS 52 -8.058 -7.223 -3.605 392 HZ1 LYS 52 HZ1 LYS 52 -9.324 -6.100 -5.241 393 HZ2 LYS 52 HZ2 LYS 52 -9.908 -5.509 -3.840 394 H GLY 53 H GLY 53 -2.587 -7.416 -1.425 395 HA2 GLY 53 HA2 GLY 53 -2.878 -9.846 -0.414 396 HA3 GLY 53 HA3 GLY 53 -1.320 -9.045 -0.454 397 H CYS 54 H CYS 54 -0.912 -7.444 1.477 398 HA CYS 54 HA CYS 54 -0.890 -8.895 3.796 399 HB2 CYS 54 HB2 CYS 54 0.552 -6.927 3.292 400 HB3 CYS 54 HB3 CYS 54 -0.819 -5.869 3.558 401 H HIS 55 H HIS 55 -3.235 -6.432 2.572 402 HA HIS 55 HA HIS 55 -4.768 -6.173 4.835 403 HB2 HIS 55 HB2 HIS 55 -5.468 -6.007 1.898 404 HB3 HIS 55 HB3 HIS 55 -6.620 -5.628 3.162 405 HD1 HIS 55 HD1 HIS 55 -6.249 -3.266 1.578 406 HD2 HIS 55 HD2 HIS 55 -3.396 -4.274 4.483 407 HE1 HIS 55 HE1 HIS 55 -4.971 -1.120 2.099 408 H GLU 56 H GLU 56 -5.700 -8.204 1.965 409 HA GLU 56 HA GLU 56 -7.619 -9.601 3.361 410 HB2 GLU 56 HB2 GLU 56 -7.107 -11.351 1.410 411 HB3 GLU 56 HB3 GLU 56 -7.886 -9.818 1.075 412 HG2 GLU 56 HG2 GLU 56 -5.944 -8.868 0.143 413 HG3 GLU 56 HG3 GLU 56 -4.868 -9.923 1.036 414 HE2 GLU 56 HE2 GLU 56 -7.605 -10.715 -0.979 415 H GLU 57 H GLU 57 -4.141 -9.845 3.404 416 HA GLU 57 HA GLU 57 -3.943 -12.557 4.033 417 HB2 GLU 57 HB2 GLU 57 -2.013 -11.291 3.237 418 HB3 GLU 57 HB3 GLU 57 -2.102 -10.195 4.602 419 HG2 GLU 57 HG2 GLU 57 -1.837 -12.371 6.069 420 HG3 GLU 57 HG3 GLU 57 -1.277 -13.117 4.586 421 HE2 GLU 57 HE2 GLU 57 0.034 -11.627 7.198 422 H MET 58 H MET 58 -3.923 -9.570 6.107 423 HA MET 58 HA MET 58 -4.144 -11.246 8.435 424 HB2 MET 58 HB2 MET 58 -4.025 -8.202 8.050 425 HB3 MET 58 HB3 MET 58 -4.020 -8.986 9.617 426 HG2 MET 58 HG2 MET 58 -1.981 -10.091 7.770 427 HG3 MET 58 HG3 MET 58 -1.753 -8.385 8.098 428 HE1 MET 58 HE1 MET 58 -2.170 -8.096 11.736 429 HE2 MET 58 HE2 MET 58 -0.539 -7.786 11.094 430 HE3 MET 58 HE3 MET 58 -1.972 -7.351 10.132 431 H LYS 59 H LYS 59 -6.268 -10.021 6.134 432 HA LYS 59 HA LYS 59 -8.478 -9.938 6.058 433 HB2 LYS 59 HB2 LYS 59 -8.013 -11.443 8.508 434 HB3 LYS 59 HB3 LYS 59 -9.478 -10.489 8.615 435 HG2 LYS 59 HG2 LYS 59 -8.796 -12.342 6.283 436 HG3 LYS 59 HG3 LYS 59 -9.841 -12.781 7.620 437 HD2 LYS 59 HD2 LYS 59 -10.829 -10.280 6.688 438 HD3 LYS 59 HD3 LYS 59 -10.462 -11.198 5.241 439 HE2 LYS 59 HE2 LYS 59 -12.497 -12.183 5.560 440 HE3 LYS 59 HE3 LYS 59 -11.698 -13.127 6.801 441 HZ1 LYS 59 HZ1 LYS 59 -12.493 -10.564 7.791 442 HZ2 LYS 59 HZ2 LYS 59 -13.774 -11.385 7.214 443 H LYS 60 H LYS 60 -6.477 -7.837 7.339 444 HA LYS 60 HA LYS 60 -8.622 -6.068 8.290 445 HB2 LYS 60 HB2 LYS 60 -5.699 -6.027 9.097 446 HB3 LYS 60 HB3 LYS 60 -6.948 -4.940 9.670 447 HG2 LYS 60 HG2 LYS 60 -7.098 -7.970 10.006 448 HG3 LYS 60 HG3 LYS 60 -6.406 -6.909 11.216 449 HD2 LYS 60 HD2 LYS 60 -8.759 -5.613 10.864 450 HD3 LYS 60 HD3 LYS 60 -9.278 -7.212 10.369 451 HE2 LYS 60 HE2 LYS 60 -7.938 -7.902 12.632 452 HE3 LYS 60 HE3 LYS 60 -8.366 -6.260 13.071 453 HZ1 LYS 60 HZ1 LYS 60 -10.542 -7.773 11.905 454 HZ2 LYS 60 HZ2 LYS 60 -10.028 -8.359 13.335 455 H GLY 61 H GLY 61 -8.642 -3.912 7.498 456 HA2 GLY 61 HA2 GLY 61 -7.766 -2.156 6.227 457 HA3 GLY 61 HA3 GLY 61 -6.683 -3.266 5.411 458 HA PRO 62 HA PRO 62 -10.658 -2.445 2.944 459 HB2 PRO 62 HB2 PRO 62 -9.623 -0.722 1.073 460 HB3 PRO 62 HB3 PRO 62 -10.248 -0.170 2.661 461 HG2 PRO 62 HG2 PRO 62 -7.509 -0.854 1.806 462 HG3 PRO 62 HG3 PRO 62 -7.894 0.683 2.647 463 HD2 PRO 62 HD2 PRO 62 -6.868 -1.369 4.043 464 HD3 PRO 62 HD3 PRO 62 -8.272 -0.489 4.721 465 H THR 63 H THR 63 -10.975 -4.195 1.572 466 HA THR 63 HA THR 63 -8.705 -4.894 -0.172 467 HB THR 63 HB THR 63 -9.243 -7.247 0.236 468 HG1 THR 63 HG1 THR 63 -11.339 -6.115 1.946 469 HG21 THR 63 HG21 THR 63 -8.532 -5.482 2.406 470 HG22 THR 63 HG22 THR 63 -9.690 -6.678 3.037 471 HG23 THR 63 HG23 THR 63 -8.184 -7.221 2.258 472 H LYS 64 H LYS 64 -11.878 -3.728 0.049 473 HA LYS 64 HA LYS 64 -12.692 -4.971 -2.451 474 HB2 LYS 64 HB2 LYS 64 -14.248 -2.997 -0.767 475 HB3 LYS 64 HB3 LYS 64 -14.861 -4.082 -1.999 476 HG2 LYS 64 HG2 LYS 64 -15.309 -5.506 -0.274 477 HG3 LYS 64 HG3 LYS 64 -13.594 -5.865 -0.302 478 HD2 LYS 64 HD2 LYS 64 -13.125 -4.280 1.460 479 HD3 LYS 64 HD3 LYS 64 -14.707 -3.539 1.319 480 HE2 LYS 64 HE2 LYS 64 -14.364 -6.468 2.094 481 HE3 LYS 64 HE3 LYS 64 -14.352 -5.185 3.289 482 HZ1 LYS 64 HZ1 LYS 64 -16.579 -4.967 3.111 483 HZ2 LYS 64 HZ2 LYS 64 -16.577 -4.972 1.483 484 H CYS 65 H CYS 65 -13.443 -3.607 -4.270 485 HA CYS 65 HA CYS 65 -11.504 -1.635 -4.833 486 HB2 CYS 65 HB2 CYS 65 -13.959 -1.811 -6.494 487 HB3 CYS 65 HB3 CYS 65 -12.278 -1.682 -6.971 488 H GLY 66 H GLY 66 -12.083 0.666 -5.465 489 HA2 GLY 66 HA2 GLY 66 -13.341 2.578 -5.284 490 HA3 GLY 66 HA3 GLY 66 -14.556 1.718 -4.359 491 H GLU 67 H GLU 67 -12.655 0.499 -2.433 492 HA GLU 67 HA GLU 67 -12.574 2.677 -0.646 493 HB2 GLU 67 HB2 GLU 67 -12.664 -0.091 -0.417 494 HB3 GLU 67 HB3 GLU 67 -11.028 0.263 0.101 495 HG2 GLU 67 HG2 GLU 67 -11.915 1.955 1.725 496 HG3 GLU 67 HG3 GLU 67 -13.549 1.585 1.213 497 HE2 GLU 67 HE2 GLU 67 -13.145 -0.061 4.134 498 H CYS 68 H CYS 68 -10.408 1.410 -3.044 499 HA CYS 68 HA CYS 68 -8.182 2.829 -1.775 500 HB2 CYS 68 HB2 CYS 68 -8.337 0.250 -3.125 501 HB3 CYS 68 HB3 CYS 68 -7.140 1.289 -3.873 502 H HIS 69 H HIS 69 -9.864 2.064 -4.901 503 HA HIS 69 HA HIS 69 -8.551 4.307 -6.157 504 HB2 HIS 69 HB2 HIS 69 -10.566 2.313 -7.231 505 HB3 HIS 69 HB3 HIS 69 -9.741 3.532 -8.182 506 HD1 HIS 69 HD1 HIS 69 -6.977 3.289 -8.158 507 HD2 HIS 69 HD2 HIS 69 -9.234 -0.079 -7.082 508 HE1 HIS 69 HE1 HIS 69 -5.420 1.281 -8.389 509 H LYS 70 H LYS 70 -9.320 6.263 -5.443 510 HA LYS 70 HA LYS 70 -12.239 6.586 -5.552 511 HB2 LYS 70 HB2 LYS 70 -10.265 7.876 -3.645 512 HB3 LYS 70 HB3 LYS 70 -11.958 8.309 -3.776 513 HG2 LYS 70 HG2 LYS 70 -11.543 5.393 -3.485 514 HG3 LYS 70 HG3 LYS 70 -10.905 6.305 -2.132 515 HD2 LYS 70 HD2 LYS 70 -13.575 7.246 -3.008 516 HD3 LYS 70 HD3 LYS 70 -13.576 5.575 -2.481 517 HE2 LYS 70 HE2 LYS 70 -13.180 6.128 -0.287 518 HE3 LYS 70 HE3 LYS 70 -12.014 7.368 -0.703 519 HZ1 LYS 70 HZ1 LYS 70 -14.893 7.818 -1.194 520 HZ2 LYS 70 HZ2 LYS 70 -14.254 8.111 0.275 521 H LYS 71 H LYS 71 -12.840 7.796 -7.259 522 HA LYS 71 HA LYS 71 -11.193 10.112 -7.901 523 HB2 LYS 71 HB2 LYS 71 -10.328 8.452 -9.403 524 HB3 LYS 71 HB3 LYS 71 -11.935 7.920 -9.852 525 HG2 LYS 71 HG2 LYS 71 -12.390 9.896 -11.093 526 HG3 LYS 71 HG3 LYS 71 -11.147 10.818 -10.270 527 HD2 LYS 71 HD2 LYS 71 -10.009 8.473 -11.630 528 HD3 LYS 71 HD3 LYS 71 -10.897 9.486 -12.750 529 HE2 LYS 71 HE2 LYS 71 -9.339 11.157 -12.653 530 HE3 LYS 71 HE3 LYS 71 -9.234 11.080 -10.906 531 HZ1 LYS 71 HZ1 LYS 71 -8.065 8.769 -12.116 532 HZ2 LYS 71 HZ2 LYS 71 -7.354 10.127 -12.664 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 6.483 13.583 2.058 2 HA ALA 1 HA ALA 1 6.191 12.891 4.138 3 HB1 ALA 1 HB1 ALA 1 4.917 14.284 5.380 4 HB2 ALA 1 HB2 ALA 1 4.483 15.063 3.839 5 HB3 ALA 1 HB3 ALA 1 3.425 13.810 4.532 6 H ASP 2 H ASP 2 4.356 11.636 5.623 7 HA ASP 2 HA ASP 2 4.181 9.180 4.767 8 HB2 ASP 2 HB2 ASP 2 1.579 9.829 5.925 9 HB3 ASP 2 HB3 ASP 2 2.894 8.902 6.621 10 HD2 ASP 2 HD2 ASP 2 3.194 10.925 9.005 11 H ASP 3 H ASP 3 1.665 11.738 4.145 12 HA ASP 3 HA ASP 3 -0.101 10.211 2.752 13 HB2 ASP 3 HB2 ASP 3 0.444 12.995 1.755 14 HB3 ASP 3 HB3 ASP 3 -1.091 12.236 2.125 15 HD2 ASP 3 HD2 ASP 3 -0.409 11.730 5.087 16 H ILE 4 H ILE 4 0.132 9.102 0.804 17 HA ILE 4 HA ILE 4 1.882 10.281 -1.217 18 HB ILE 4 HB ILE 4 2.040 7.480 -0.122 19 HG12 ILE 4 HG12 ILE 4 4.098 9.679 -0.471 20 HG13 ILE 4 HG13 ILE 4 3.383 9.160 1.042 21 HG21 ILE 4 HG21 ILE 4 2.256 8.251 -2.850 22 HG22 ILE 4 HG22 ILE 4 3.893 7.882 -2.256 23 HG23 ILE 4 HG23 ILE 4 2.597 6.670 -2.107 24 HD11 ILE 4 HD11 ILE 4 5.737 8.176 0.097 25 HD12 ILE 4 HD12 ILE 4 4.649 7.238 1.149 26 HD13 ILE 4 HD13 ILE 4 4.613 6.993 -0.614 27 H VAL 5 H VAL 5 0.939 10.336 -3.202 28 HA VAL 5 HA VAL 5 -1.601 8.901 -3.439 29 HB VAL 5 HB VAL 5 -0.465 11.274 -4.930 30 HG11 VAL 5 HG11 VAL 5 -2.461 9.430 -5.749 31 HG12 VAL 5 HG12 VAL 5 -3.299 10.929 -5.278 32 HG13 VAL 5 HG13 VAL 5 -2.012 10.977 -6.508 33 HG21 VAL 5 HG21 VAL 5 -1.063 12.106 -2.841 34 HG22 VAL 5 HG22 VAL 5 -2.546 12.355 -3.793 35 HG23 VAL 5 HG23 VAL 5 -2.432 10.981 -2.668 36 H LEU 6 H LEU 6 -1.673 7.089 -4.657 37 HA LEU 6 HA LEU 6 0.582 6.624 -6.458 38 HB2 LEU 6 HB2 LEU 6 -1.457 4.738 -5.270 39 HB3 LEU 6 HB3 LEU 6 -0.192 4.271 -6.390 40 HG LEU 6 HG LEU 6 0.331 5.516 -3.678 41 HD11 LEU 6 HD11 LEU 6 -0.575 2.884 -4.280 42 HD12 LEU 6 HD12 LEU 6 1.129 2.781 -3.777 43 HD13 LEU 6 HD13 LEU 6 -0.067 3.561 -2.715 44 HD21 LEU 6 HD21 LEU 6 2.156 5.884 -5.209 45 HD22 LEU 6 HD22 LEU 6 2.624 4.638 -4.028 46 HD23 LEU 6 HD23 LEU 6 2.161 4.168 -5.681 47 H LYS 7 H LYS 7 0.009 7.861 -8.269 48 HA LYS 7 HA LYS 7 -2.462 8.176 -9.346 49 HB2 LYS 7 HB2 LYS 7 -1.334 8.699 -11.427 50 HB3 LYS 7 HB3 LYS 7 -0.440 9.359 -10.074 51 HG2 LYS 7 HG2 LYS 7 0.402 6.607 -10.757 52 HG3 LYS 7 HG3 LYS 7 0.608 7.725 -12.091 53 HD2 LYS 7 HD2 LYS 7 2.532 8.408 -11.099 54 HD3 LYS 7 HD3 LYS 7 1.542 9.183 -9.877 55 HE2 LYS 7 HE2 LYS 7 1.950 7.544 -8.302 56 HE3 LYS 7 HE3 LYS 7 1.936 6.250 -9.484 57 HZ1 LYS 7 HZ1 LYS 7 4.161 6.901 -10.179 58 HZ2 LYS 7 HZ2 LYS 7 4.174 8.179 -9.170 59 H ALA 8 H ALA 8 -3.859 7.038 -10.687 60 HA ALA 8 HA ALA 8 -2.988 4.443 -11.656 61 HB1 ALA 8 HB1 ALA 8 -4.018 3.278 -10.037 62 HB2 ALA 8 HB2 ALA 8 -4.530 4.789 -9.248 63 HB3 ALA 8 HB3 ALA 8 -5.561 4.041 -10.491 64 H LYS 9 H LYS 9 -4.049 3.853 -13.558 65 HA LYS 9 HA LYS 9 -5.465 5.958 -14.851 66 HB2 LYS 9 HB2 LYS 9 -5.317 4.623 -16.792 67 HB3 LYS 9 HB3 LYS 9 -3.817 4.369 -15.922 68 HG2 LYS 9 HG2 LYS 9 -4.229 2.146 -15.721 69 HG3 LYS 9 HG3 LYS 9 -5.795 2.448 -14.993 70 HD2 LYS 9 HD2 LYS 9 -6.230 3.092 -17.683 71 HD3 LYS 9 HD3 LYS 9 -5.128 1.733 -17.785 72 HE2 LYS 9 HE2 LYS 9 -6.975 0.421 -17.516 73 HE3 LYS 9 HE3 LYS 9 -6.896 0.868 -15.823 74 HZ1 LYS 9 HZ1 LYS 9 -8.755 1.779 -17.844 75 HZ2 LYS 9 HZ2 LYS 9 -8.959 1.682 -16.231 76 H ASN 10 H ASN 10 -6.396 3.814 -12.481 77 HA ASN 10 HA ASN 10 -9.122 3.872 -13.505 78 HB2 ASN 10 HB2 ASN 10 -9.548 1.669 -12.535 79 HB3 ASN 10 HB3 ASN 10 -8.119 1.534 -13.539 80 HD21 ASN 10 HD21 ASN 10 -9.277 0.299 -10.934 81 HD22 ASN 10 HD22 ASN 10 -7.913 0.199 -9.870 82 H GLY 11 H GLY 11 -7.728 5.823 -11.811 83 HA2 GLY 11 HA2 GLY 11 -8.746 7.029 -10.058 84 HA3 GLY 11 HA3 GLY 11 -9.317 5.530 -9.351 85 H ASP 12 H ASP 12 -7.272 7.963 -8.707 86 HA ASP 12 HA ASP 12 -4.839 6.712 -8.244 87 HB2 ASP 12 HB2 ASP 12 -4.313 8.675 -6.895 88 HB3 ASP 12 HB3 ASP 12 -5.223 9.190 -8.301 89 HD2 ASP 12 HD2 ASP 12 -7.437 10.503 -7.420 90 H VAL 13 H VAL 13 -3.900 6.194 -6.027 91 HA VAL 13 HA VAL 13 -6.004 5.311 -4.173 92 HB VAL 13 HB VAL 13 -3.352 3.993 -4.788 93 HG11 VAL 13 HG11 VAL 13 -3.948 3.612 -2.486 94 HG12 VAL 13 HG12 VAL 13 -5.622 3.205 -2.934 95 HG13 VAL 13 HG13 VAL 13 -4.288 2.125 -3.404 96 HG21 VAL 13 HG21 VAL 13 -6.110 3.599 -5.851 97 HG22 VAL 13 HG22 VAL 13 -4.531 3.357 -6.635 98 HG23 VAL 13 HG23 VAL 13 -5.155 2.140 -5.496 99 H LYS 14 H LYS 14 -5.966 6.397 -2.280 100 HA LYS 14 HA LYS 14 -3.639 7.986 -1.663 101 HB2 LYS 14 HB2 LYS 14 -6.022 8.799 -1.475 102 HB3 LYS 14 HB3 LYS 14 -6.230 7.714 -0.115 103 HG2 LYS 14 HG2 LYS 14 -4.087 9.886 -0.281 104 HG3 LYS 14 HG3 LYS 14 -5.609 10.057 0.572 105 HD2 LYS 14 HD2 LYS 14 -4.872 7.838 1.814 106 HD3 LYS 14 HD3 LYS 14 -3.269 8.243 1.233 107 HE2 LYS 14 HE2 LYS 14 -4.500 10.631 2.345 108 HE3 LYS 14 HE3 LYS 14 -4.635 9.327 3.508 109 HZ1 LYS 14 HZ1 LYS 14 -2.175 10.469 2.354 110 HZ2 LYS 14 HZ2 LYS 14 -2.527 10.198 3.921 111 H PHE 15 H PHE 15 -1.915 7.024 -0.729 112 HA PHE 15 HA PHE 15 -2.494 4.910 1.221 113 HB2 PHE 15 HB2 PHE 15 -1.156 4.259 -0.798 114 HB3 PHE 15 HB3 PHE 15 -0.070 5.609 -0.540 115 HD1 PHE 15 HD1 PHE 15 -1.356 2.676 1.392 116 HD2 PHE 15 HD2 PHE 15 1.970 5.116 0.397 117 HE1 PHE 15 HE1 PHE 15 0.134 1.211 2.783 118 HE2 PHE 15 HE2 PHE 15 3.460 3.651 1.787 119 HZ PHE 15 HZ PHE 15 2.525 1.717 2.964 120 HA PRO 16 HA PRO 16 -0.873 7.901 4.102 121 HB2 PRO 16 HB2 PRO 16 -1.805 6.667 6.346 122 HB3 PRO 16 HB3 PRO 16 -2.905 7.488 5.191 123 HG2 PRO 16 HG2 PRO 16 -2.253 4.795 5.518 124 HG3 PRO 16 HG3 PRO 16 -3.937 5.283 5.140 125 HD2 PRO 16 HD2 PRO 16 -2.225 4.187 3.267 126 HD3 PRO 16 HD3 PRO 16 -3.457 5.409 2.831 127 H HIS 17 H HIS 17 1.418 7.470 3.721 128 HA HIS 17 HA HIS 17 2.514 5.031 4.710 129 HB2 HIS 17 HB2 HIS 17 3.397 6.193 2.724 130 HB3 HIS 17 HB3 HIS 17 3.856 7.561 3.718 131 HD1 HIS 17 HD1 HIS 17 5.688 6.947 5.701 132 HD2 HIS 17 HD2 HIS 17 5.338 4.268 2.491 133 HE1 HIS 17 HE1 HIS 17 7.809 5.528 5.719 134 H LYS 18 H LYS 18 1.140 5.909 6.836 135 HA LYS 18 HA LYS 18 3.277 6.744 8.631 136 HB2 LYS 18 HB2 LYS 18 2.398 8.842 8.520 137 HB3 LYS 18 HB3 LYS 18 0.812 8.288 8.025 138 HG2 LYS 18 HG2 LYS 18 0.275 7.567 10.304 139 HG3 LYS 18 HG3 LYS 18 1.917 7.867 10.839 140 HD2 LYS 18 HD2 LYS 18 0.718 10.244 9.569 141 HD3 LYS 18 HD3 LYS 18 -0.222 9.688 10.939 142 HE2 LYS 18 HE2 LYS 18 2.556 9.550 11.693 143 HE3 LYS 18 HE3 LYS 18 2.295 11.114 10.948 144 HZ1 LYS 18 HZ1 LYS 18 1.342 11.729 12.872 145 HZ2 LYS 18 HZ2 LYS 18 0.114 10.692 12.610 146 H ALA 19 H ALA 19 -0.301 6.109 8.751 147 HA ALA 19 HA ALA 19 -0.236 4.756 11.153 148 HB1 ALA 19 HB1 ALA 19 -2.278 3.687 9.413 149 HB2 ALA 19 HB2 ALA 19 -2.446 4.834 10.764 150 HB3 ALA 19 HB3 ALA 19 -2.109 5.435 9.122 151 H HIS 20 H HIS 20 0.873 3.791 7.981 152 HA HIS 20 HA HIS 20 0.673 0.986 8.546 153 HB2 HIS 20 HB2 HIS 20 1.718 2.657 6.277 154 HB3 HIS 20 HB3 HIS 20 2.160 0.965 6.383 155 HD1 HIS 20 HD1 HIS 20 -0.856 3.214 5.915 156 HD2 HIS 20 HD2 HIS 20 0.148 -0.853 5.696 157 HE1 HIS 20 HE1 HIS 20 -2.850 2.042 4.837 158 H GLN 21 H GLN 21 2.464 3.307 9.957 159 HA GLN 21 HA GLN 21 4.966 1.862 9.806 160 HB2 GLN 21 HB2 GLN 21 4.200 4.557 10.998 161 HB3 GLN 21 HB3 GLN 21 5.786 3.846 11.219 162 HG2 GLN 21 HG2 GLN 21 6.135 3.773 8.767 163 HG3 GLN 21 HG3 GLN 21 4.514 4.377 8.493 164 HE21 GLN 21 HE21 GLN 21 7.078 5.250 10.805 165 HE22 GLN 21 HE22 GLN 21 7.187 6.928 10.391 166 H LYS 22 H LYS 22 2.675 3.187 12.302 167 HA LYS 22 HA LYS 22 3.909 1.791 14.421 168 HB2 LYS 22 HB2 LYS 22 2.360 2.820 15.760 169 HB3 LYS 22 HB3 LYS 22 2.353 3.905 14.385 170 HG2 LYS 22 HG2 LYS 22 0.086 3.578 14.433 171 HG3 LYS 22 HG3 LYS 22 0.458 2.104 13.562 172 HD2 LYS 22 HD2 LYS 22 0.015 0.751 15.376 173 HD3 LYS 22 HD3 LYS 22 0.705 1.880 16.524 174 HE2 LYS 22 HE2 LYS 22 -1.712 2.998 15.294 175 HE3 LYS 22 HE3 LYS 22 -2.049 1.438 16.017 176 HZ1 LYS 22 HZ1 LYS 22 -0.632 2.510 17.973 177 HZ2 LYS 22 HZ2 LYS 22 -1.188 3.900 17.332 178 H ALA 23 H ALA 23 1.524 0.960 11.955 179 HA ALA 23 HA ALA 23 0.525 -1.311 13.385 180 HB1 ALA 23 HB1 ALA 23 -0.929 -1.525 11.593 181 HB2 ALA 23 HB2 ALA 23 -0.533 0.207 11.477 182 HB3 ALA 23 HB3 ALA 23 0.275 -0.965 10.409 183 H VAL 24 H VAL 24 3.139 -0.567 11.084 184 HA VAL 24 HA VAL 24 4.069 -3.315 11.432 185 HB VAL 24 HB VAL 24 3.892 -1.857 8.788 186 HG11 VAL 24 HG11 VAL 24 4.500 -4.455 8.198 187 HG12 VAL 24 HG12 VAL 24 5.690 -3.136 8.313 188 HG13 VAL 24 HG13 VAL 24 5.420 -4.215 9.702 189 HG21 VAL 24 HG21 VAL 24 1.800 -2.660 8.736 190 HG22 VAL 24 HG22 VAL 24 2.540 -4.269 8.554 191 HG23 VAL 24 HG23 VAL 24 2.068 -3.684 10.167 192 HA PRO 25 HA PRO 25 6.887 0.283 12.685 193 HB2 PRO 25 HB2 PRO 25 7.581 -2.173 14.364 194 HB3 PRO 25 HB3 PRO 25 7.668 -0.428 14.772 195 HG2 PRO 25 HG2 PRO 25 5.290 -1.805 15.566 196 HG3 PRO 25 HG3 PRO 25 5.519 -0.182 14.836 197 HD2 PRO 25 HD2 PRO 25 4.682 -2.825 13.528 198 HD3 PRO 25 HD3 PRO 25 3.941 -1.206 13.351 199 H ASP 26 H ASP 26 7.220 -3.123 11.593 200 HA ASP 26 HA ASP 26 10.005 -2.867 11.179 201 HB2 ASP 26 HB2 ASP 26 8.901 -5.058 11.557 202 HB3 ASP 26 HB3 ASP 26 7.952 -4.855 10.098 203 HD2 ASP 26 HD2 ASP 26 9.081 -6.962 10.038 204 H CYS 27 H CYS 27 10.843 -1.605 9.511 205 HA CYS 27 HA CYS 27 9.134 -0.920 7.301 206 HB2 CYS 27 HB2 CYS 27 12.012 -0.109 7.501 207 HB3 CYS 27 HB3 CYS 27 10.661 0.744 6.781 208 H LYS 28 H LYS 28 11.505 -3.305 8.184 209 HA LYS 28 HA LYS 28 12.534 -3.747 5.561 210 HB2 LYS 28 HB2 LYS 28 12.660 -5.383 8.111 211 HB3 LYS 28 HB3 LYS 28 13.498 -5.798 6.630 212 HG2 LYS 28 HG2 LYS 28 14.187 -3.112 6.977 213 HG3 LYS 28 HG3 LYS 28 14.131 -3.703 8.626 214 HD2 LYS 28 HD2 LYS 28 16.072 -4.854 8.362 215 HD3 LYS 28 HD3 LYS 28 15.468 -5.663 6.930 216 HE2 LYS 28 HE2 LYS 28 16.581 -4.250 5.518 217 HE3 LYS 28 HE3 LYS 28 16.099 -2.825 6.417 218 HZ1 LYS 28 HZ1 LYS 28 18.510 -3.208 6.533 219 HZ2 LYS 28 HZ2 LYS 28 17.861 -3.297 8.024 220 H LYS 29 H LYS 29 9.491 -4.185 6.912 221 HA LYS 29 HA LYS 29 8.866 -6.763 5.952 222 HB2 LYS 29 HB2 LYS 29 7.454 -4.471 7.163 223 HB3 LYS 29 HB3 LYS 29 6.472 -5.431 6.075 224 HG2 LYS 29 HG2 LYS 29 8.174 -6.662 8.288 225 HG3 LYS 29 HG3 LYS 29 6.499 -6.202 8.522 226 HD2 LYS 29 HD2 LYS 29 6.338 -7.682 6.181 227 HD3 LYS 29 HD3 LYS 29 7.635 -8.507 7.023 228 HE2 LYS 29 HE2 LYS 29 5.594 -7.967 8.971 229 HE3 LYS 29 HE3 LYS 29 4.785 -8.606 7.554 230 HZ1 LYS 29 HZ1 LYS 29 7.212 -9.957 8.535 231 HZ2 LYS 29 HZ2 LYS 29 5.794 -10.241 9.283 232 H CYS 30 H CYS 30 8.259 -3.429 4.647 233 HA CYS 30 HA CYS 30 7.528 -4.655 2.121 234 HB2 CYS 30 HB2 CYS 30 7.484 -1.701 2.775 235 HB3 CYS 30 HB3 CYS 30 6.635 -2.537 1.490 236 H HIS 31 H HIS 31 9.759 -2.132 3.499 237 HA HIS 31 HA HIS 31 11.235 -1.932 1.093 238 HB2 HIS 31 HB2 HIS 31 11.866 -1.013 3.911 239 HB3 HIS 31 HB3 HIS 31 12.790 -0.579 2.487 240 HD1 HIS 31 HD1 HIS 31 11.073 0.545 0.484 241 HD2 HIS 31 HD2 HIS 31 10.030 0.897 4.532 242 HE1 HIS 31 HE1 HIS 31 9.427 2.490 0.632 243 H GLU 32 H GLU 32 12.306 -3.701 0.324 244 HA GLU 32 HA GLU 32 13.505 -5.491 2.221 245 HB2 GLU 32 HB2 GLU 32 12.681 -5.578 -0.611 246 HB3 GLU 32 HB3 GLU 32 14.226 -6.359 -0.337 247 HG2 GLU 32 HG2 GLU 32 13.275 -8.102 0.791 248 HG3 GLU 32 HG3 GLU 32 12.265 -7.044 1.755 249 HE2 GLU 32 HE2 GLU 32 10.284 -6.455 0.861 250 H LYS 33 H LYS 33 14.519 -3.351 -0.525 251 HA LYS 33 HA LYS 33 17.296 -3.757 0.230 252 HB2 LYS 33 HB2 LYS 33 15.999 -2.333 -2.111 253 HB3 LYS 33 HB3 LYS 33 17.728 -2.409 -1.840 254 HG2 LYS 33 HG2 LYS 33 16.996 -5.080 -1.578 255 HG3 LYS 33 HG3 LYS 33 15.873 -4.520 -2.801 256 HD2 LYS 33 HD2 LYS 33 18.729 -3.658 -3.131 257 HD3 LYS 33 HD3 LYS 33 18.402 -5.362 -3.373 258 HE2 LYS 33 HE2 LYS 33 16.817 -4.918 -5.139 259 HE3 LYS 33 HE3 LYS 33 16.723 -3.216 -4.733 260 HZ1 LYS 33 HZ1 LYS 33 18.178 -3.684 -6.672 261 HZ2 LYS 33 HZ2 LYS 33 18.991 -2.925 -5.482 262 H GLY 34 H GLY 34 15.442 -2.433 2.099 263 HA2 GLY 34 HA2 GLY 34 15.869 -0.761 3.611 264 HA3 GLY 34 HA3 GLY 34 17.008 -0.021 2.503 265 HA PRO 35 HA PRO 35 12.848 2.283 2.753 266 HB2 PRO 35 HB2 PRO 35 14.011 4.693 3.443 267 HB3 PRO 35 HB3 PRO 35 13.518 3.451 4.640 268 HG2 PRO 35 HG2 PRO 35 16.117 3.776 3.333 269 HG3 PRO 35 HG3 PRO 35 16.190 3.672 5.122 270 HD2 PRO 35 HD2 PRO 35 16.622 1.419 3.993 271 HD3 PRO 35 HD3 PRO 35 15.114 1.396 4.956 272 H GLY 36 H GLY 36 12.093 3.499 0.953 273 HA2 GLY 36 HA2 GLY 36 13.015 5.274 -0.642 274 HA3 GLY 36 HA3 GLY 36 14.143 4.015 -1.103 275 H LYS 37 H LYS 37 12.997 4.512 -3.274 276 HA LYS 37 HA LYS 37 10.330 3.685 -3.620 277 HB2 LYS 37 HB2 LYS 37 12.636 4.369 -5.405 278 HB3 LYS 37 HB3 LYS 37 11.262 3.536 -6.103 279 HG2 LYS 37 HG2 LYS 37 10.264 5.572 -6.265 280 HG3 LYS 37 HG3 LYS 37 10.043 5.498 -4.528 281 HD2 LYS 37 HD2 LYS 37 11.401 7.297 -4.307 282 HD3 LYS 37 HD3 LYS 37 12.737 6.334 -4.907 283 HE2 LYS 37 HE2 LYS 37 11.973 6.899 -7.281 284 HE3 LYS 37 HE3 LYS 37 10.805 8.003 -6.583 285 HZ1 LYS 37 HZ1 LYS 37 13.751 8.175 -6.236 286 HZ2 LYS 37 HZ2 LYS 37 12.833 9.189 -7.120 287 H ILE 38 H ILE 38 9.509 1.760 -4.676 288 HA ILE 38 HA ILE 38 11.265 -0.538 -4.176 289 HB ILE 38 HB ILE 38 8.250 -0.349 -4.190 290 HG12 ILE 38 HG12 ILE 38 10.104 -0.839 -1.846 291 HG13 ILE 38 HG13 ILE 38 9.466 0.741 -2.258 292 HG21 ILE 38 HG21 ILE 38 8.492 -2.693 -3.185 293 HG22 ILE 38 HG22 ILE 38 8.732 -2.515 -4.939 294 HG23 ILE 38 HG23 ILE 38 10.138 -2.677 -3.861 295 HD11 ILE 38 HD11 ILE 38 8.003 -0.234 -0.584 296 HD12 ILE 38 HD12 ILE 38 7.124 -0.242 -2.132 297 HD13 ILE 38 HD13 ILE 38 7.858 -1.743 -1.518 298 H GLU 39 H GLU 39 12.084 -1.523 -5.936 299 HA GLU 39 HA GLU 39 11.000 -0.813 -8.484 300 HB2 GLU 39 HB2 GLU 39 12.938 -2.032 -9.392 301 HB3 GLU 39 HB3 GLU 39 13.448 -0.926 -8.132 302 HG2 GLU 39 HG2 GLU 39 12.854 -3.308 -6.742 303 HG3 GLU 39 HG3 GLU 39 13.623 -3.862 -8.216 304 HE2 GLU 39 HE2 GLU 39 15.582 -1.065 -6.173 305 H GLY 40 H GLY 40 9.728 -2.090 -9.815 306 HA2 GLY 40 HA2 GLY 40 9.060 -4.222 -10.610 307 HA3 GLY 40 HA3 GLY 40 9.325 -4.899 -9.015 308 H PHE 41 H PHE 41 8.061 -2.770 -7.461 309 HA PHE 41 HA PHE 41 5.586 -3.650 -7.102 310 HB2 PHE 41 HB2 PHE 41 6.821 -1.807 -5.861 311 HB3 PHE 41 HB3 PHE 41 6.530 -0.721 -7.206 312 HD1 PHE 41 HD1 PHE 41 4.156 -0.055 -7.738 313 HD2 PHE 41 HD2 PHE 41 5.193 -2.118 -4.177 314 HE1 PHE 41 HE1 PHE 41 1.989 0.661 -6.691 315 HE2 PHE 41 HE2 PHE 41 3.027 -1.403 -3.131 316 HZ PHE 41 HZ PHE 41 1.451 -0.022 -4.401 317 H GLY 42 H GLY 42 3.391 -2.767 -7.643 318 HA2 GLY 42 HA2 GLY 42 2.736 -1.060 -9.655 319 HA3 GLY 42 HA3 GLY 42 3.113 -2.549 -10.498 320 H LYS 43 H LYS 43 0.910 -2.865 -11.163 321 HA LYS 43 HA LYS 43 -1.235 -2.830 -9.366 322 HB2 LYS 43 HB2 LYS 43 -1.240 -2.685 -11.924 323 HB3 LYS 43 HB3 LYS 43 -1.099 -4.432 -11.927 324 HG2 LYS 43 HG2 LYS 43 -3.149 -4.031 -10.090 325 HG3 LYS 43 HG3 LYS 43 -3.428 -2.727 -11.227 326 HD2 LYS 43 HD2 LYS 43 -2.818 -5.080 -12.767 327 HD3 LYS 43 HD3 LYS 43 -3.988 -5.548 -11.550 328 HE2 LYS 43 HE2 LYS 43 -5.630 -4.049 -12.345 329 HE3 LYS 43 HE3 LYS 43 -4.452 -2.983 -13.085 330 HZ1 LYS 43 HZ1 LYS 43 -4.003 -5.080 -14.571 331 HZ2 LYS 43 HZ2 LYS 43 -5.505 -5.521 -14.122 332 H GLU 44 H GLU 44 -0.078 -5.814 -11.055 333 HA GLU 44 HA GLU 44 -1.145 -7.643 -9.525 334 HB2 GLU 44 HB2 GLU 44 1.618 -7.535 -10.756 335 HB3 GLU 44 HB3 GLU 44 1.124 -8.958 -9.861 336 HG2 GLU 44 HG2 GLU 44 0.641 -8.681 -12.506 337 HG3 GLU 44 HG3 GLU 44 -0.414 -9.605 -11.456 338 HE2 GLU 44 HE2 GLU 44 0.046 -6.538 -12.859 339 H MET 45 H MET 45 1.623 -5.585 -8.585 340 HA MET 45 HA MET 45 2.232 -7.061 -6.270 341 HB2 MET 45 HB2 MET 45 3.469 -5.087 -7.719 342 HB3 MET 45 HB3 MET 45 2.805 -4.101 -6.432 343 HG2 MET 45 HG2 MET 45 4.869 -4.697 -5.498 344 HG3 MET 45 HG3 MET 45 3.843 -5.954 -4.836 345 HE1 MET 45 HE1 MET 45 6.190 -7.052 -4.400 346 HE2 MET 45 HE2 MET 45 7.217 -7.778 -5.660 347 HE3 MET 45 HE3 MET 45 7.192 -6.011 -5.440 348 H ALA 46 H ALA 46 0.579 -3.853 -6.764 349 HA ALA 46 HA ALA 46 -0.097 -3.388 -4.147 350 HB1 ALA 46 HB1 ALA 46 -0.640 -2.310 -6.713 351 HB2 ALA 46 HB2 ALA 46 -2.220 -2.556 -5.931 352 HB3 ALA 46 HB3 ALA 46 -0.974 -1.569 -5.130 353 H HIS 47 H HIS 47 -2.000 -5.147 -6.690 354 HA HIS 47 HA HIS 47 -4.035 -5.834 -4.844 355 HB2 HIS 47 HB2 HIS 47 -3.408 -7.012 -7.566 356 HB3 HIS 47 HB3 HIS 47 -4.904 -7.209 -6.675 357 HD1 HIS 47 HD1 HIS 47 -4.549 -5.819 -9.558 358 HD2 HIS 47 HD2 HIS 47 -5.076 -3.867 -5.883 359 HE1 HIS 47 HE1 HIS 47 -5.508 -3.518 -10.102 360 H GLY 48 H GLY 48 -0.995 -7.308 -5.988 361 HA2 GLY 48 HA2 GLY 48 -1.524 -9.904 -4.920 362 HA3 GLY 48 HA3 GLY 48 0.009 -9.268 -5.481 363 H LYS 49 H LYS 49 1.429 -9.708 -3.818 364 HA LYS 49 HA LYS 49 0.564 -9.273 -1.095 365 HB2 LYS 49 HB2 LYS 49 1.899 -11.274 -1.835 366 HB3 LYS 49 HB3 LYS 49 3.255 -10.205 -2.130 367 HG2 LYS 49 HG2 LYS 49 3.089 -9.421 0.282 368 HG3 LYS 49 HG3 LYS 49 1.839 -10.622 0.544 369 HD2 LYS 49 HD2 LYS 49 3.483 -12.407 -0.227 370 HD3 LYS 49 HD3 LYS 49 4.723 -11.171 -0.299 371 HE2 LYS 49 HE2 LYS 49 3.121 -11.836 2.217 372 HE3 LYS 49 HE3 LYS 49 4.708 -12.490 1.867 373 HZ1 LYS 49 HZ1 LYS 49 5.251 -10.618 3.079 374 HZ2 LYS 49 HZ2 LYS 49 5.291 -9.953 1.593 375 H GLY 50 H GLY 50 0.446 -6.909 -2.629 376 HA2 GLY 50 HA2 GLY 50 2.824 -5.416 -1.707 377 HA3 GLY 50 HA3 GLY 50 1.807 -4.977 -3.065 378 H CYS 51 H CYS 51 -0.763 -5.057 -2.242 379 HA CYS 51 HA CYS 51 -0.775 -3.392 0.170 380 HB2 CYS 51 HB2 CYS 51 -2.477 -3.073 -2.310 381 HB3 CYS 51 HB3 CYS 51 -2.676 -2.163 -0.826 382 H LYS 52 H LYS 52 -3.486 -4.574 -1.889 383 HA LYS 52 HA LYS 52 -5.120 -5.390 0.087 384 HB2 LYS 52 HB2 LYS 52 -4.732 -6.421 -2.722 385 HB3 LYS 52 HB3 LYS 52 -5.981 -7.070 -1.679 386 HG2 LYS 52 HG2 LYS 52 -6.323 -4.334 -1.329 387 HG3 LYS 52 HG3 LYS 52 -5.819 -4.417 -3.005 388 HD2 LYS 52 HD2 LYS 52 -7.925 -6.359 -2.044 389 HD3 LYS 52 HD3 LYS 52 -8.393 -4.692 -2.315 390 HE2 LYS 52 HE2 LYS 52 -7.886 -4.782 -4.633 391 HE3 LYS 52 HE3 LYS 52 -6.808 -6.152 -4.448 392 HZ1 LYS 52 HZ1 LYS 52 -9.065 -7.265 -3.624 393 HZ2 LYS 52 HZ2 LYS 52 -9.724 -6.143 -4.604 394 H GLY 53 H GLY 53 -2.533 -7.369 -1.494 395 HA2 GLY 53 HA2 GLY 53 -2.789 -9.803 -0.504 396 HA3 GLY 53 HA3 GLY 53 -1.244 -8.975 -0.504 397 H CYS 54 H CYS 54 -0.928 -7.367 1.451 398 HA CYS 54 HA CYS 54 -0.927 -8.855 3.756 399 HB2 CYS 54 HB2 CYS 54 0.510 -6.871 3.303 400 HB3 CYS 54 HB3 CYS 54 -0.875 -5.826 3.547 401 H HIS 55 H HIS 55 -3.241 -6.348 2.545 402 HA HIS 55 HA HIS 55 -4.830 -6.139 4.762 403 HB2 HIS 55 HB2 HIS 55 -5.474 -5.950 1.814 404 HB3 HIS 55 HB3 HIS 55 -6.651 -5.586 3.060 405 HD1 HIS 55 HD1 HIS 55 -6.283 -3.202 1.528 406 HD2 HIS 55 HD2 HIS 55 -3.434 -4.238 4.427 407 HE1 HIS 55 HE1 HIS 55 -5.017 -1.058 2.084 408 H GLU 56 H GLU 56 -5.771 -8.104 1.853 409 HA GLU 56 HA GLU 56 -7.699 -9.523 3.160 410 HB2 GLU 56 HB2 GLU 56 -7.020 -11.302 1.255 411 HB3 GLU 56 HB3 GLU 56 -7.869 -9.814 0.885 412 HG2 GLU 56 HG2 GLU 56 -5.959 -8.770 0.005 413 HG3 GLU 56 HG3 GLU 56 -4.854 -9.731 0.967 414 HE2 GLU 56 HE2 GLU 56 -4.550 -11.872 0.296 415 H GLU 57 H GLU 57 -4.219 -9.792 3.357 416 HA GLU 57 HA GLU 57 -4.069 -12.488 4.047 417 HB2 GLU 57 HB2 GLU 57 -2.298 -10.130 4.036 418 HB3 GLU 57 HB3 GLU 57 -1.932 -11.232 5.348 419 HG2 GLU 57 HG2 GLU 57 -2.049 -11.894 2.373 420 HG3 GLU 57 HG3 GLU 57 -0.631 -11.911 3.403 421 HE2 GLU 57 HE2 GLU 57 -2.996 -13.886 2.186 422 H MET 58 H MET 58 -4.117 -9.473 6.081 423 HA MET 58 HA MET 58 -4.501 -11.127 8.408 424 HB2 MET 58 HB2 MET 58 -4.252 -8.090 8.028 425 HB3 MET 58 HB3 MET 58 -4.335 -8.878 9.592 426 HG2 MET 58 HG2 MET 58 -2.265 -10.054 7.829 427 HG3 MET 58 HG3 MET 58 -1.993 -8.353 8.152 428 HE1 MET 58 HE1 MET 58 -1.965 -8.196 12.038 429 HE2 MET 58 HE2 MET 58 -1.409 -7.359 10.568 430 HE3 MET 58 HE3 MET 58 -3.138 -7.718 10.788 431 H LYS 59 H LYS 59 -6.462 -9.891 5.995 432 HA LYS 59 HA LYS 59 -8.657 -9.699 5.806 433 HB2 LYS 59 HB2 LYS 59 -8.388 -11.162 8.330 434 HB3 LYS 59 HB3 LYS 59 -9.854 -10.205 8.258 435 HG2 LYS 59 HG2 LYS 59 -8.962 -12.097 6.032 436 HG3 LYS 59 HG3 LYS 59 -10.073 -12.556 7.307 437 HD2 LYS 59 HD2 LYS 59 -10.995 -10.055 6.197 438 HD3 LYS 59 HD3 LYS 59 -10.647 -11.135 4.862 439 HE2 LYS 59 HE2 LYS 59 -12.296 -12.664 5.472 440 HE3 LYS 59 HE3 LYS 59 -12.137 -12.323 7.184 441 HZ1 LYS 59 HZ1 LYS 59 -13.880 -10.945 6.977 442 HZ2 LYS 59 HZ2 LYS 59 -13.047 -9.980 5.963 443 H LYS 60 H LYS 60 -6.645 -7.672 7.196 444 HA LYS 60 HA LYS 60 -8.759 -5.836 8.085 445 HB2 LYS 60 HB2 LYS 60 -5.829 -5.832 8.868 446 HB3 LYS 60 HB3 LYS 60 -7.062 -4.731 9.448 447 HG2 LYS 60 HG2 LYS 60 -8.340 -6.718 10.366 448 HG3 LYS 60 HG3 LYS 60 -7.016 -7.755 9.875 449 HD2 LYS 60 HD2 LYS 60 -6.620 -7.259 12.190 450 HD3 LYS 60 HD3 LYS 60 -5.465 -6.290 11.298 451 HE2 LYS 60 HE2 LYS 60 -8.040 -4.891 11.680 452 HE3 LYS 60 HE3 LYS 60 -7.295 -5.339 13.202 453 HZ1 LYS 60 HZ1 LYS 60 -6.198 -3.383 12.785 454 HZ2 LYS 60 HZ2 LYS 60 -5.175 -4.355 11.973 455 H GLY 61 H GLY 61 -8.727 -3.678 7.286 456 HA2 GLY 61 HA2 GLY 61 -7.885 -1.954 5.976 457 HA3 GLY 61 HA3 GLY 61 -6.759 -3.057 5.211 458 HA PRO 62 HA PRO 62 -10.703 -2.318 2.642 459 HB2 PRO 62 HB2 PRO 62 -9.601 -0.645 0.750 460 HB3 PRO 62 HB3 PRO 62 -10.307 -0.055 2.290 461 HG2 PRO 62 HG2 PRO 62 -7.535 -0.714 1.580 462 HG3 PRO 62 HG3 PRO 62 -7.972 0.838 2.366 463 HD2 PRO 62 HD2 PRO 62 -6.983 -1.144 3.867 464 HD3 PRO 62 HD3 PRO 62 -8.451 -0.299 4.447 465 H THR 63 H THR 63 -10.974 -4.120 1.330 466 HA THR 63 HA THR 63 -8.661 -4.854 -0.344 467 HB THR 63 HB THR 63 -9.213 -7.197 0.111 468 HG1 THR 63 HG1 THR 63 -11.149 -7.566 1.444 469 HG21 THR 63 HG21 THR 63 -9.735 -6.463 2.888 470 HG22 THR 63 HG22 THR 63 -8.261 -7.175 2.188 471 HG23 THR 63 HG23 THR 63 -8.471 -5.407 2.211 472 H LYS 64 H LYS 64 -11.854 -3.709 -0.229 473 HA LYS 64 HA LYS 64 -12.569 -4.997 -2.740 474 HB2 LYS 64 HB2 LYS 64 -14.230 -3.062 -1.112 475 HB3 LYS 64 HB3 LYS 64 -14.775 -4.170 -2.355 476 HG2 LYS 64 HG2 LYS 64 -15.295 -5.466 -0.514 477 HG3 LYS 64 HG3 LYS 64 -13.636 -5.991 -0.722 478 HD2 LYS 64 HD2 LYS 64 -12.854 -4.738 1.098 479 HD3 LYS 64 HD3 LYS 64 -14.118 -3.533 0.954 480 HE2 LYS 64 HE2 LYS 64 -15.046 -6.305 1.606 481 HE3 LYS 64 HE3 LYS 64 -14.113 -5.505 2.856 482 HZ1 LYS 64 HZ1 LYS 64 -16.383 -4.131 1.544 483 HZ2 LYS 64 HZ2 LYS 64 -16.615 -5.088 2.841 484 H CYS 65 H CYS 65 -13.307 -3.658 -4.584 485 HA CYS 65 HA CYS 65 -11.406 -1.638 -5.101 486 HB2 CYS 65 HB2 CYS 65 -13.809 -1.870 -6.827 487 HB3 CYS 65 HB3 CYS 65 -12.117 -1.715 -7.258 488 H GLY 66 H GLY 66 -12.006 0.649 -5.727 489 HA2 GLY 66 HA2 GLY 66 -13.322 2.530 -5.592 490 HA3 GLY 66 HA3 GLY 66 -14.539 1.642 -4.697 491 H GLU 67 H GLU 67 -12.649 0.470 -2.726 492 HA GLU 67 HA GLU 67 -12.658 2.661 -0.946 493 HB2 GLU 67 HB2 GLU 67 -12.744 -0.096 -0.690 494 HB3 GLU 67 HB3 GLU 67 -11.111 0.254 -0.157 495 HG2 GLU 67 HG2 GLU 67 -12.021 1.975 1.437 496 HG3 GLU 67 HG3 GLU 67 -13.648 1.572 0.925 497 HE2 GLU 67 HE2 GLU 67 -12.630 -1.862 2.089 498 H CYS 68 H CYS 68 -10.384 1.336 -3.234 499 HA CYS 68 HA CYS 68 -8.218 2.805 -1.923 500 HB2 CYS 68 HB2 CYS 68 -8.317 0.219 -3.257 501 HB3 CYS 68 HB3 CYS 68 -7.118 1.261 -3.995 502 H HIS 69 H HIS 69 -9.864 2.057 -5.067 503 HA HIS 69 HA HIS 69 -8.519 4.312 -6.288 504 HB2 HIS 69 HB2 HIS 69 -10.442 2.271 -7.440 505 HB3 HIS 69 HB3 HIS 69 -9.613 3.513 -8.357 506 HD1 HIS 69 HD1 HIS 69 -6.832 3.345 -8.174 507 HD2 HIS 69 HD2 HIS 69 -9.072 -0.093 -7.301 508 HE1 HIS 69 HE1 HIS 69 -5.222 1.375 -8.364 509 H LYS 70 H LYS 70 -9.371 6.221 -5.504 510 HA LYS 70 HA LYS 70 -12.291 6.472 -5.722 511 HB2 LYS 70 HB2 LYS 70 -12.091 8.224 -3.968 512 HB3 LYS 70 HB3 LYS 70 -11.657 6.619 -3.417 513 HG2 LYS 70 HG2 LYS 70 -9.510 8.481 -4.479 514 HG3 LYS 70 HG3 LYS 70 -10.089 8.666 -2.835 515 HD2 LYS 70 HD2 LYS 70 -9.474 5.853 -3.563 516 HD3 LYS 70 HD3 LYS 70 -8.082 6.916 -3.646 517 HE2 LYS 70 HE2 LYS 70 -8.692 7.749 -1.300 518 HE3 LYS 70 HE3 LYS 70 -9.909 6.490 -1.236 519 HZ1 LYS 70 HZ1 LYS 70 -8.293 5.068 -0.651 520 HZ2 LYS 70 HZ2 LYS 70 -7.510 5.301 -2.060 521 H LYS 71 H LYS 71 -13.012 7.805 -7.292 522 HA LYS 71 HA LYS 71 -11.135 9.206 -8.891 523 HB2 LYS 71 HB2 LYS 71 -13.052 9.826 -10.220 524 HB3 LYS 71 HB3 LYS 71 -13.168 8.133 -9.785 525 HG2 LYS 71 HG2 LYS 71 -14.460 9.497 -7.667 526 HG3 LYS 71 HG3 LYS 71 -14.971 10.348 -9.111 527 HD2 LYS 71 HD2 LYS 71 -15.166 7.685 -9.908 528 HD3 LYS 71 HD3 LYS 71 -15.618 7.594 -8.217 529 HE2 LYS 71 HE2 LYS 71 -17.700 8.157 -9.015 530 HE3 LYS 71 HE3 LYS 71 -17.071 9.790 -8.935 531 HZ1 LYS 71 HZ1 LYS 71 -16.201 9.103 -11.342 532 HZ2 LYS 71 HZ2 LYS 71 -17.502 8.125 -11.291 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 6.756 13.960 3.142 2 HA ALA 1 HA ALA 1 6.766 13.105 5.379 3 HB1 ALA 1 HB1 ALA 1 4.132 13.660 5.789 4 HB2 ALA 1 HB2 ALA 1 5.374 14.908 5.523 5 HB3 ALA 1 HB3 ALA 1 4.355 14.362 4.169 6 H ASP 2 H ASP 2 3.575 12.042 4.027 7 HA ASP 2 HA ASP 2 4.265 9.322 4.573 8 HB2 ASP 2 HB2 ASP 2 1.676 9.954 5.827 9 HB3 ASP 2 HB3 ASP 2 2.998 8.982 6.443 10 HD2 ASP 2 HD2 ASP 2 2.145 12.377 6.063 11 H ASP 3 H ASP 3 1.718 11.804 3.863 12 HA ASP 3 HA ASP 3 -0.035 10.090 2.587 13 HB2 ASP 3 HB2 ASP 3 0.195 12.900 1.573 14 HB3 ASP 3 HB3 ASP 3 -1.232 12.018 2.080 15 HD2 ASP 3 HD2 ASP 3 0.552 14.592 3.018 16 H ILE 4 H ILE 4 0.310 8.982 0.656 17 HA ILE 4 HA ILE 4 1.915 10.337 -1.388 18 HB ILE 4 HB ILE 4 2.149 7.458 -0.510 19 HG12 ILE 4 HG12 ILE 4 4.078 9.792 -0.376 20 HG13 ILE 4 HG13 ILE 4 3.324 8.972 0.976 21 HG21 ILE 4 HG21 ILE 4 3.787 8.746 -2.684 22 HG22 ILE 4 HG22 ILE 4 3.557 7.020 -2.314 23 HG23 ILE 4 HG23 ILE 4 2.230 7.959 -3.039 24 HD11 ILE 4 HD11 ILE 4 5.211 7.692 1.003 25 HD12 ILE 4 HD12 ILE 4 4.479 6.848 -0.382 26 HD13 ILE 4 HD13 ILE 4 5.653 8.156 -0.657 27 H VAL 5 H VAL 5 0.933 10.430 -3.351 28 HA VAL 5 HA VAL 5 -1.571 8.942 -3.592 29 HB VAL 5 HB VAL 5 -0.469 11.344 -5.061 30 HG11 VAL 5 HG11 VAL 5 -2.019 9.693 -6.343 31 HG12 VAL 5 HG12 VAL 5 -3.303 10.345 -5.297 32 HG13 VAL 5 HG13 VAL 5 -2.394 11.433 -6.374 33 HG21 VAL 5 HG21 VAL 5 -2.955 11.384 -3.385 34 HG22 VAL 5 HG22 VAL 5 -1.370 11.427 -2.576 35 HG23 VAL 5 HG23 VAL 5 -1.803 12.690 -3.753 36 H LEU 6 H LEU 6 -1.604 7.115 -4.788 37 HA LEU 6 HA LEU 6 0.635 6.685 -6.611 38 HB2 LEU 6 HB2 LEU 6 -1.395 4.791 -5.420 39 HB3 LEU 6 HB3 LEU 6 -0.152 4.327 -6.566 40 HG LEU 6 HG LEU 6 0.526 5.625 -3.925 41 HD11 LEU 6 HD11 LEU 6 -0.286 2.812 -4.485 42 HD12 LEU 6 HD12 LEU 6 1.082 3.080 -3.379 43 HD13 LEU 6 HD13 LEU 6 -0.503 3.806 -3.025 44 HD21 LEU 6 HD21 LEU 6 2.524 3.840 -4.673 45 HD22 LEU 6 HD22 LEU 6 2.029 4.610 -6.199 46 HD23 LEU 6 HD23 LEU 6 2.559 5.613 -4.827 47 H LYS 7 H LYS 7 0.167 7.742 -8.514 48 HA LYS 7 HA LYS 7 -2.327 8.152 -9.573 49 HB2 LYS 7 HB2 LYS 7 -1.173 8.580 -11.677 50 HB3 LYS 7 HB3 LYS 7 -0.304 9.290 -10.331 51 HG2 LYS 7 HG2 LYS 7 0.562 6.521 -10.858 52 HG3 LYS 7 HG3 LYS 7 0.760 7.546 -12.265 53 HD2 LYS 7 HD2 LYS 7 2.669 8.330 -11.324 54 HD3 LYS 7 HD3 LYS 7 1.673 9.152 -10.139 55 HE2 LYS 7 HE2 LYS 7 2.834 7.881 -8.624 56 HE3 LYS 7 HE3 LYS 7 1.689 6.629 -9.063 57 HZ1 LYS 7 HZ1 LYS 7 3.288 5.493 -10.178 58 HZ2 LYS 7 HZ2 LYS 7 3.963 6.818 -10.844 59 H ALA 8 H ALA 8 -3.814 6.966 -10.708 60 HA ALA 8 HA ALA 8 -2.984 4.363 -11.718 61 HB1 ALA 8 HB1 ALA 8 -5.421 3.775 -10.569 62 HB2 ALA 8 HB2 ALA 8 -3.836 3.377 -9.864 63 HB3 ALA 8 HB3 ALA 8 -4.690 4.854 -9.356 64 H LYS 9 H LYS 9 -4.156 3.720 -13.550 65 HA LYS 9 HA LYS 9 -5.624 5.842 -14.803 66 HB2 LYS 9 HB2 LYS 9 -5.549 4.464 -16.765 67 HB3 LYS 9 HB3 LYS 9 -3.970 4.434 -16.005 68 HG2 LYS 9 HG2 LYS 9 -4.122 2.201 -15.455 69 HG3 LYS 9 HG3 LYS 9 -5.827 2.301 -15.065 70 HD2 LYS 9 HD2 LYS 9 -6.471 2.179 -17.393 71 HD3 LYS 9 HD3 LYS 9 -4.831 2.464 -17.939 72 HE2 LYS 9 HE2 LYS 9 -4.241 0.264 -17.704 73 HE3 LYS 9 HE3 LYS 9 -5.031 0.120 -16.147 74 HZ1 LYS 9 HZ1 LYS 9 -5.992 -1.098 -18.253 75 HZ2 LYS 9 HZ2 LYS 9 -7.010 -0.491 -17.136 76 H ASN 10 H ASN 10 -6.471 3.842 -12.371 77 HA ASN 10 HA ASN 10 -9.192 3.693 -13.387 78 HB2 ASN 10 HB2 ASN 10 -7.661 1.436 -13.021 79 HB3 ASN 10 HB3 ASN 10 -8.328 1.603 -11.409 80 HD21 ASN 10 HD21 ASN 10 -9.937 0.252 -11.189 81 HD22 ASN 10 HD22 ASN 10 -11.244 -0.012 -12.294 82 H GLY 11 H GLY 11 -7.742 5.699 -11.715 83 HA2 GLY 11 HA2 GLY 11 -8.805 6.947 -10.004 84 HA3 GLY 11 HA3 GLY 11 -9.359 5.459 -9.262 85 H ASP 12 H ASP 12 -7.253 7.940 -8.802 86 HA ASP 12 HA ASP 12 -4.837 6.740 -8.278 87 HB2 ASP 12 HB2 ASP 12 -4.343 8.728 -6.952 88 HB3 ASP 12 HB3 ASP 12 -5.273 9.208 -8.358 89 HD2 ASP 12 HD2 ASP 12 -7.168 10.203 -7.978 90 H VAL 13 H VAL 13 -3.869 6.247 -6.075 91 HA VAL 13 HA VAL 13 -5.938 5.351 -4.187 92 HB VAL 13 HB VAL 13 -3.275 4.067 -4.830 93 HG11 VAL 13 HG11 VAL 13 -3.609 3.473 -2.624 94 HG12 VAL 13 HG12 VAL 13 -5.383 3.532 -2.761 95 HG13 VAL 13 HG13 VAL 13 -4.482 2.165 -3.459 96 HG21 VAL 13 HG21 VAL 13 -4.340 3.125 -6.554 97 HG22 VAL 13 HG22 VAL 13 -5.341 2.260 -5.365 98 HG23 VAL 13 HG23 VAL 13 -5.905 3.804 -6.046 99 H LYS 14 H LYS 14 -5.888 6.436 -2.293 100 HA LYS 14 HA LYS 14 -3.553 8.042 -1.713 101 HB2 LYS 14 HB2 LYS 14 -6.014 8.793 -1.559 102 HB3 LYS 14 HB3 LYS 14 -6.085 7.864 -0.075 103 HG2 LYS 14 HG2 LYS 14 -3.880 9.908 -0.541 104 HG3 LYS 14 HG3 LYS 14 -5.444 10.393 0.083 105 HD2 LYS 14 HD2 LYS 14 -5.194 8.771 1.973 106 HD3 LYS 14 HD3 LYS 14 -3.631 8.283 1.348 107 HE2 LYS 14 HE2 LYS 14 -3.016 9.884 2.956 108 HE3 LYS 14 HE3 LYS 14 -3.029 10.847 1.492 109 HZ1 LYS 14 HZ1 LYS 14 -5.182 10.716 3.528 110 HZ2 LYS 14 HZ2 LYS 14 -4.284 12.017 3.136 111 H PHE 15 H PHE 15 -1.850 6.967 -0.839 112 HA PHE 15 HA PHE 15 -2.478 4.938 1.179 113 HB2 PHE 15 HB2 PHE 15 -1.131 4.237 -0.812 114 HB3 PHE 15 HB3 PHE 15 -0.032 5.581 -0.572 115 HD1 PHE 15 HD1 PHE 15 -1.372 2.737 1.458 116 HD2 PHE 15 HD2 PHE 15 2.007 5.044 0.334 117 HE1 PHE 15 HE1 PHE 15 0.094 1.283 2.885 118 HE2 PHE 15 HE2 PHE 15 3.474 3.590 1.761 119 HZ PHE 15 HZ PHE 15 2.500 1.727 3.020 120 HA PRO 16 HA PRO 16 -0.835 7.918 4.052 121 HB2 PRO 16 HB2 PRO 16 -1.745 6.679 6.302 122 HB3 PRO 16 HB3 PRO 16 -2.858 7.493 5.155 123 HG2 PRO 16 HG2 PRO 16 -2.197 4.797 5.481 124 HG3 PRO 16 HG3 PRO 16 -3.880 5.293 5.105 125 HD2 PRO 16 HD2 PRO 16 -2.158 4.192 3.234 126 HD3 PRO 16 HD3 PRO 16 -3.406 5.398 2.797 127 H HIS 17 H HIS 17 1.458 7.543 3.711 128 HA HIS 17 HA HIS 17 2.578 5.096 4.671 129 HB2 HIS 17 HB2 HIS 17 3.444 6.271 2.684 130 HB3 HIS 17 HB3 HIS 17 3.895 7.640 3.681 131 HD1 HIS 17 HD1 HIS 17 5.779 7.094 5.599 132 HD2 HIS 17 HD2 HIS 17 5.359 4.303 2.496 133 HE1 HIS 17 HE1 HIS 17 7.900 5.676 5.622 134 H LYS 18 H LYS 18 1.179 6.014 6.791 135 HA LYS 18 HA LYS 18 3.322 6.826 8.592 136 HB2 LYS 18 HB2 LYS 18 2.382 8.937 8.272 137 HB3 LYS 18 HB3 LYS 18 0.751 8.315 8.129 138 HG2 LYS 18 HG2 LYS 18 0.810 9.274 10.304 139 HG3 LYS 18 HG3 LYS 18 0.978 7.555 10.597 140 HD2 LYS 18 HD2 LYS 18 3.625 8.317 10.257 141 HD3 LYS 18 HD3 LYS 18 2.946 9.745 11.014 142 HE2 LYS 18 HE2 LYS 18 2.050 8.368 12.876 143 HE3 LYS 18 HE3 LYS 18 2.629 6.906 12.103 144 HZ1 LYS 18 HZ1 LYS 18 4.573 9.041 12.642 145 HZ2 LYS 18 HZ2 LYS 18 4.089 8.114 13.891 146 H ALA 19 H ALA 19 -0.262 6.217 8.689 147 HA ALA 19 HA ALA 19 -0.242 4.891 11.100 148 HB1 ALA 19 HB1 ALA 19 -2.201 5.781 9.717 149 HB2 ALA 19 HB2 ALA 19 -2.100 4.273 8.778 150 HB3 ALA 19 HB3 ALA 19 -2.458 4.214 10.521 151 H HIS 20 H HIS 20 0.910 3.872 7.953 152 HA HIS 20 HA HIS 20 0.725 1.079 8.574 153 HB2 HIS 20 HB2 HIS 20 1.792 2.709 6.283 154 HB3 HIS 20 HB3 HIS 20 2.227 1.017 6.428 155 HD1 HIS 20 HD1 HIS 20 -0.777 3.266 5.883 156 HD2 HIS 20 HD2 HIS 20 0.216 -0.808 5.755 157 HE1 HIS 20 HE1 HIS 20 -2.763 2.079 4.807 158 H GLN 21 H GLN 21 2.481 3.433 9.966 159 HA GLN 21 HA GLN 21 4.999 2.012 9.860 160 HB2 GLN 21 HB2 GLN 21 4.202 4.704 11.043 161 HB3 GLN 21 HB3 GLN 21 5.802 4.015 11.235 162 HG2 GLN 21 HG2 GLN 21 6.254 4.106 8.881 163 HG3 GLN 21 HG3 GLN 21 4.563 4.319 8.475 164 HE21 GLN 21 HE21 GLN 21 6.131 6.027 7.323 165 HE22 GLN 21 HE22 GLN 21 6.100 7.606 8.035 166 H LYS 22 H LYS 22 2.656 3.329 12.310 167 HA LYS 22 HA LYS 22 3.885 1.978 14.462 168 HB2 LYS 22 HB2 LYS 22 2.305 2.999 15.769 169 HB3 LYS 22 HB3 LYS 22 2.295 4.066 14.379 170 HG2 LYS 22 HG2 LYS 22 0.033 3.702 14.407 171 HG3 LYS 22 HG3 LYS 22 0.440 2.222 13.560 172 HD2 LYS 22 HD2 LYS 22 0.009 0.885 15.391 173 HD3 LYS 22 HD3 LYS 22 0.652 2.051 16.531 174 HE2 LYS 22 HE2 LYS 22 -1.695 2.002 16.976 175 HE3 LYS 22 HE3 LYS 22 -1.449 3.479 16.066 176 HZ1 LYS 22 HZ1 LYS 22 -2.793 2.687 14.467 177 HZ2 LYS 22 HZ2 LYS 22 -1.918 1.327 14.280 178 H ALA 23 H ALA 23 1.532 1.087 11.981 179 HA ALA 23 HA ALA 23 0.561 -1.188 13.425 180 HB1 ALA 23 HB1 ALA 23 -0.509 0.298 11.498 181 HB2 ALA 23 HB2 ALA 23 0.323 -0.871 10.444 182 HB3 ALA 23 HB3 ALA 23 -0.879 -1.438 11.627 183 H VAL 24 H VAL 24 3.183 -0.418 11.144 184 HA VAL 24 HA VAL 24 4.144 -3.154 11.509 185 HB VAL 24 HB VAL 24 4.015 -1.702 8.858 186 HG11 VAL 24 HG11 VAL 24 5.768 -3.022 8.371 187 HG12 VAL 24 HG12 VAL 24 5.530 -4.031 9.817 188 HG13 VAL 24 HG13 VAL 24 4.583 -4.350 8.344 189 HG21 VAL 24 HG21 VAL 24 2.355 -3.301 8.176 190 HG22 VAL 24 HG22 VAL 24 2.510 -4.196 9.707 191 HG23 VAL 24 HG23 VAL 24 1.810 -2.560 9.699 192 HA PRO 25 HA PRO 25 6.902 0.477 12.797 193 HB2 PRO 25 HB2 PRO 25 7.603 -1.969 14.488 194 HB3 PRO 25 HB3 PRO 25 7.662 -0.223 14.896 195 HG2 PRO 25 HG2 PRO 25 5.290 -1.626 15.659 196 HG3 PRO 25 HG3 PRO 25 5.510 -0.002 14.928 197 HD2 PRO 25 HD2 PRO 25 4.728 -2.659 13.614 198 HD3 PRO 25 HD3 PRO 25 3.965 -1.051 13.425 199 H ASP 26 H ASP 26 7.291 -2.925 11.713 200 HA ASP 26 HA ASP 26 10.080 -2.599 11.313 201 HB2 ASP 26 HB2 ASP 26 9.042 -4.813 11.763 202 HB3 ASP 26 HB3 ASP 26 8.101 -4.689 10.290 203 HD2 ASP 26 HD2 ASP 26 10.671 -6.942 9.976 204 H CYS 27 H CYS 27 10.920 -1.448 9.569 205 HA CYS 27 HA CYS 27 9.173 -0.813 7.375 206 HB2 CYS 27 HB2 CYS 27 12.062 -0.035 7.468 207 HB3 CYS 27 HB3 CYS 27 10.697 0.819 6.776 208 H LYS 28 H LYS 28 11.511 -3.212 8.288 209 HA LYS 28 HA LYS 28 12.497 -3.751 5.668 210 HB2 LYS 28 HB2 LYS 28 12.595 -5.388 8.219 211 HB3 LYS 28 HB3 LYS 28 13.482 -5.747 6.751 212 HG2 LYS 28 HG2 LYS 28 14.211 -3.131 7.092 213 HG3 LYS 28 HG3 LYS 28 13.937 -3.575 8.765 214 HD2 LYS 28 HD2 LYS 28 16.274 -4.019 8.229 215 HD3 LYS 28 HD3 LYS 28 15.465 -5.556 8.466 216 HE2 LYS 28 HE2 LYS 28 15.086 -5.093 5.735 217 HE3 LYS 28 HE3 LYS 28 16.686 -4.432 6.011 218 HZ1 LYS 28 HZ1 LYS 28 15.805 -7.186 6.688 219 HZ2 LYS 28 HZ2 LYS 28 16.884 -6.772 5.541 220 H LYS 29 H LYS 29 9.454 -4.051 7.022 221 HA LYS 29 HA LYS 29 8.754 -6.649 6.160 222 HB2 LYS 29 HB2 LYS 29 7.407 -4.275 7.288 223 HB3 LYS 29 HB3 LYS 29 6.398 -5.256 6.245 224 HG2 LYS 29 HG2 LYS 29 8.096 -6.478 8.461 225 HG3 LYS 29 HG3 LYS 29 6.467 -5.900 8.751 226 HD2 LYS 29 HD2 LYS 29 6.219 -7.473 6.424 227 HD3 LYS 29 HD3 LYS 29 7.359 -8.365 7.412 228 HE2 LYS 29 HE2 LYS 29 5.730 -8.137 9.365 229 HE3 LYS 29 HE3 LYS 29 4.575 -7.430 8.253 230 HZ1 LYS 29 HZ1 LYS 29 4.487 -9.956 8.625 231 HZ2 LYS 29 HZ2 LYS 29 4.394 -9.444 7.082 232 H CYS 30 H CYS 30 8.201 -3.347 4.750 233 HA CYS 30 HA CYS 30 7.461 -4.644 2.261 234 HB2 CYS 30 HB2 CYS 30 7.443 -1.668 2.792 235 HB3 CYS 30 HB3 CYS 30 6.555 -2.562 1.574 236 H HIS 31 H HIS 31 9.701 -2.084 3.559 237 HA HIS 31 HA HIS 31 11.176 -1.945 1.156 238 HB2 HIS 31 HB2 HIS 31 11.824 -1.010 3.966 239 HB3 HIS 31 HB3 HIS 31 12.765 -0.612 2.542 240 HD1 HIS 31 HD1 HIS 31 11.087 0.527 0.516 241 HD2 HIS 31 HD2 HIS 31 10.021 0.942 4.552 242 HE1 HIS 31 HE1 HIS 31 9.481 2.506 0.631 243 H GLU 32 H GLU 32 12.480 -3.511 0.365 244 HA GLU 32 HA GLU 32 13.609 -5.362 2.290 245 HB2 GLU 32 HB2 GLU 32 12.354 -5.765 -0.162 246 HB3 GLU 32 HB3 GLU 32 14.048 -5.917 -0.583 247 HG2 GLU 32 HG2 GLU 32 13.369 -7.312 1.937 248 HG3 GLU 32 HG3 GLU 32 12.462 -7.916 0.564 249 HE2 GLU 32 HE2 GLU 32 15.196 -9.733 -0.461 250 H LYS 33 H LYS 33 14.515 -3.261 -0.519 251 HA LYS 33 HA LYS 33 17.321 -3.666 0.118 252 HB2 LYS 33 HB2 LYS 33 15.923 -2.246 -2.167 253 HB3 LYS 33 HB3 LYS 33 17.663 -2.319 -1.971 254 HG2 LYS 33 HG2 LYS 33 16.787 -4.999 -1.656 255 HG3 LYS 33 HG3 LYS 33 15.830 -4.369 -2.982 256 HD2 LYS 33 HD2 LYS 33 17.736 -3.882 -4.308 257 HD3 LYS 33 HD3 LYS 33 18.814 -3.846 -2.927 258 HE2 LYS 33 HE2 LYS 33 18.542 -6.311 -2.637 259 HE3 LYS 33 HE3 LYS 33 17.434 -6.358 -3.994 260 HZ1 LYS 33 HZ1 LYS 33 19.147 -6.205 -5.454 261 HZ2 LYS 33 HZ2 LYS 33 19.967 -5.093 -4.593 262 H GLY 34 H GLY 34 15.520 -2.322 2.046 263 HA2 GLY 34 HA2 GLY 34 16.115 -0.659 3.545 264 HA3 GLY 34 HA3 GLY 34 17.081 0.134 2.316 265 HA PRO 35 HA PRO 35 12.832 2.168 2.901 266 HB2 PRO 35 HB2 PRO 35 14.484 4.462 3.860 267 HB3 PRO 35 HB3 PRO 35 13.061 3.662 4.603 268 HG2 PRO 35 HG2 PRO 35 15.592 3.184 5.806 269 HG3 PRO 35 HG3 PRO 35 14.114 2.203 5.538 270 HD2 PRO 35 HD2 PRO 35 16.646 2.383 3.789 271 HD3 PRO 35 HD3 PRO 35 15.989 0.931 4.604 272 H GLY 36 H GLY 36 12.026 3.299 1.111 273 HA2 GLY 36 HA2 GLY 36 12.844 5.419 -0.191 274 HA3 GLY 36 HA3 GLY 36 14.025 4.274 -0.795 275 H LYS 37 H LYS 37 13.032 4.705 -2.949 276 HA LYS 37 HA LYS 37 10.339 3.968 -3.414 277 HB2 LYS 37 HB2 LYS 37 12.704 4.732 -5.084 278 HB3 LYS 37 HB3 LYS 37 11.353 3.941 -5.870 279 HG2 LYS 37 HG2 LYS 37 10.363 5.985 -5.960 280 HG3 LYS 37 HG3 LYS 37 10.085 5.825 -4.238 281 HD2 LYS 37 HD2 LYS 37 11.453 7.591 -3.867 282 HD3 LYS 37 HD3 LYS 37 12.798 6.669 -4.508 283 HE2 LYS 37 HE2 LYS 37 12.875 8.338 -6.083 284 HE3 LYS 37 HE3 LYS 37 11.604 7.411 -6.856 285 HZ1 LYS 37 HZ1 LYS 37 10.369 9.264 -6.613 286 HZ2 LYS 37 HZ2 LYS 37 10.277 8.949 -5.018 287 H ILE 38 H ILE 38 9.531 2.102 -4.566 288 HA ILE 38 HA ILE 38 11.268 -0.227 -4.153 289 HB ILE 38 HB ILE 38 8.256 -0.014 -4.202 290 HG12 ILE 38 HG12 ILE 38 10.082 -0.651 -1.870 291 HG13 ILE 38 HG13 ILE 38 9.443 0.948 -2.193 292 HG21 ILE 38 HG21 ILE 38 10.125 -2.364 -4.072 293 HG22 ILE 38 HG22 ILE 38 8.530 -2.427 -3.286 294 HG23 ILE 38 HG23 ILE 38 8.647 -2.139 -5.038 295 HD11 ILE 38 HD11 ILE 38 7.103 -0.297 -2.285 296 HD12 ILE 38 HD12 ILE 38 7.965 -1.554 -1.365 297 HD13 ILE 38 HD13 ILE 38 7.838 0.098 -0.713 298 H GLU 39 H GLU 39 12.111 -1.132 -5.946 299 HA GLU 39 HA GLU 39 11.050 -0.297 -8.472 300 HB2 GLU 39 HB2 GLU 39 13.014 -1.594 -9.384 301 HB3 GLU 39 HB3 GLU 39 13.458 -0.328 -8.257 302 HG2 GLU 39 HG2 GLU 39 12.935 -3.038 -7.076 303 HG3 GLU 39 HG3 GLU 39 14.378 -2.884 -8.058 304 HE2 GLU 39 HE2 GLU 39 13.384 -2.069 -4.753 305 H GLY 40 H GLY 40 9.819 -1.534 -9.878 306 HA2 GLY 40 HA2 GLY 40 9.205 -3.640 -10.782 307 HA3 GLY 40 HA3 GLY 40 9.466 -4.386 -9.219 308 H PHE 41 H PHE 41 8.140 -2.384 -7.568 309 HA PHE 41 HA PHE 41 5.708 -3.299 -7.222 310 HB2 PHE 41 HB2 PHE 41 6.905 -1.361 -6.050 311 HB3 PHE 41 HB3 PHE 41 6.468 -0.321 -7.391 312 HD1 PHE 41 HD1 PHE 41 4.925 -2.509 -4.800 313 HD2 PHE 41 HD2 PHE 41 4.488 0.889 -7.304 314 HE1 PHE 41 HE1 PHE 41 2.761 -1.948 -3.660 315 HE2 PHE 41 HE2 PHE 41 2.323 1.450 -6.164 316 HZ PHE 41 HZ PHE 41 1.486 0.025 -4.356 317 H GLY 42 H GLY 42 3.518 -2.858 -7.895 318 HA2 GLY 42 HA2 GLY 42 2.795 -1.106 -9.942 319 HA3 GLY 42 HA3 GLY 42 3.193 -2.641 -10.689 320 H LYS 43 H LYS 43 0.874 -2.743 -11.303 321 HA LYS 43 HA LYS 43 -1.180 -2.757 -9.436 322 HB2 LYS 43 HB2 LYS 43 -1.279 -2.605 -11.989 323 HB3 LYS 43 HB3 LYS 43 -1.145 -4.352 -12.005 324 HG2 LYS 43 HG2 LYS 43 -3.127 -3.943 -10.091 325 HG3 LYS 43 HG3 LYS 43 -3.443 -2.644 -11.224 326 HD2 LYS 43 HD2 LYS 43 -2.901 -4.975 -12.798 327 HD3 LYS 43 HD3 LYS 43 -3.983 -5.485 -11.518 328 HE2 LYS 43 HE2 LYS 43 -5.649 -3.843 -12.129 329 HE3 LYS 43 HE3 LYS 43 -4.526 -2.976 -13.159 330 HZ1 LYS 43 HZ1 LYS 43 -5.413 -4.245 -14.788 331 HZ2 LYS 43 HZ2 LYS 43 -4.505 -5.473 -14.224 332 H GLU 44 H GLU 44 -0.098 -5.747 -11.165 333 HA GLU 44 HA GLU 44 -1.131 -7.571 -9.605 334 HB2 GLU 44 HB2 GLU 44 1.598 -7.484 -10.914 335 HB3 GLU 44 HB3 GLU 44 1.106 -8.908 -10.017 336 HG2 GLU 44 HG2 GLU 44 0.554 -8.571 -12.655 337 HG3 GLU 44 HG3 GLU 44 -0.454 -9.533 -11.591 338 HE2 GLU 44 HE2 GLU 44 -0.908 -6.912 -13.765 339 H MET 45 H MET 45 1.708 -5.559 -8.762 340 HA MET 45 HA MET 45 2.372 -7.034 -6.469 341 HB2 MET 45 HB2 MET 45 3.495 -4.968 -7.967 342 HB3 MET 45 HB3 MET 45 2.995 -4.106 -6.525 343 HG2 MET 45 HG2 MET 45 4.617 -6.689 -6.402 344 HG3 MET 45 HG3 MET 45 5.372 -5.110 -6.488 345 HE1 MET 45 HE1 MET 45 6.325 -6.577 -4.652 346 HE2 MET 45 HE2 MET 45 6.390 -5.354 -3.361 347 HE3 MET 45 HE3 MET 45 5.568 -6.906 -3.076 348 H ALA 46 H ALA 46 0.692 -3.835 -6.917 349 HA ALA 46 HA ALA 46 0.119 -3.361 -4.271 350 HB1 ALA 46 HB1 ALA 46 -1.158 -2.619 -6.903 351 HB2 ALA 46 HB2 ALA 46 -1.928 -2.134 -5.373 352 HB3 ALA 46 HB3 ALA 46 -0.274 -1.594 -5.747 353 H HIS 47 H HIS 47 -1.904 -5.084 -6.750 354 HA HIS 47 HA HIS 47 -3.875 -5.768 -4.848 355 HB2 HIS 47 HB2 HIS 47 -3.309 -6.965 -7.575 356 HB3 HIS 47 HB3 HIS 47 -4.779 -7.176 -6.644 357 HD1 HIS 47 HD1 HIS 47 -4.500 -5.787 -9.542 358 HD2 HIS 47 HD2 HIS 47 -4.985 -3.839 -5.859 359 HE1 HIS 47 HE1 HIS 47 -5.504 -3.501 -10.069 360 H GLY 48 H GLY 48 -0.859 -7.253 -6.030 361 HA2 GLY 48 HA2 GLY 48 -1.363 -9.844 -4.945 362 HA3 GLY 48 HA3 GLY 48 0.164 -9.200 -5.514 363 H LYS 49 H LYS 49 1.638 -9.508 -3.886 364 HA LYS 49 HA LYS 49 0.773 -9.134 -1.147 365 HB2 LYS 49 HB2 LYS 49 3.119 -10.384 -2.521 366 HB3 LYS 49 HB3 LYS 49 3.337 -9.805 -0.881 367 HG2 LYS 49 HG2 LYS 49 1.470 -11.182 -0.079 368 HG3 LYS 49 HG3 LYS 49 1.047 -11.645 -1.715 369 HD2 LYS 49 HD2 LYS 49 3.355 -12.703 -1.939 370 HD3 LYS 49 HD3 LYS 49 3.625 -12.361 -0.242 371 HE2 LYS 49 HE2 LYS 49 1.077 -13.630 -0.357 372 HE3 LYS 49 HE3 LYS 49 2.097 -14.537 -1.457 373 HZ1 LYS 49 HZ1 LYS 49 2.102 -14.958 1.165 374 HZ2 LYS 49 HZ2 LYS 49 3.423 -15.234 0.253 375 H GLY 50 H GLY 50 0.656 -6.792 -2.815 376 HA2 GLY 50 HA2 GLY 50 2.976 -5.229 -1.882 377 HA3 GLY 50 HA3 GLY 50 1.915 -4.817 -3.214 378 H CYS 51 H CYS 51 -0.643 -5.062 -2.252 379 HA CYS 51 HA CYS 51 -0.636 -3.384 0.148 380 HB2 CYS 51 HB2 CYS 51 -2.378 -3.038 -2.301 381 HB3 CYS 51 HB3 CYS 51 -2.569 -2.162 -0.795 382 H LYS 52 H LYS 52 -3.347 -4.579 -1.909 383 HA LYS 52 HA LYS 52 -4.970 -5.439 0.045 384 HB2 LYS 52 HB2 LYS 52 -4.527 -6.374 -2.776 385 HB3 LYS 52 HB3 LYS 52 -5.682 -7.215 -1.761 386 HG2 LYS 52 HG2 LYS 52 -6.267 -4.509 -1.289 387 HG3 LYS 52 HG3 LYS 52 -5.874 -4.540 -2.997 388 HD2 LYS 52 HD2 LYS 52 -7.792 -6.561 -1.766 389 HD3 LYS 52 HD3 LYS 52 -8.345 -4.994 -2.325 390 HE2 LYS 52 HE2 LYS 52 -6.775 -5.931 -4.464 391 HE3 LYS 52 HE3 LYS 52 -7.585 -7.376 -3.892 392 HZ1 LYS 52 HZ1 LYS 52 -9.169 -4.922 -4.267 393 HZ2 LYS 52 HZ2 LYS 52 -8.790 -5.819 -5.572 394 H GLY 53 H GLY 53 -2.358 -7.404 -1.521 395 HA2 GLY 53 HA2 GLY 53 -2.547 -9.820 -0.511 396 HA3 GLY 53 HA3 GLY 53 -1.024 -8.953 -0.484 397 H CYS 54 H CYS 54 -0.736 -7.373 1.472 398 HA CYS 54 HA CYS 54 -0.773 -8.848 3.780 399 HB2 CYS 54 HB2 CYS 54 0.660 -6.863 3.363 400 HB3 CYS 54 HB3 CYS 54 -0.736 -5.821 3.550 401 H HIS 55 H HIS 55 -3.062 -6.307 2.575 402 HA HIS 55 HA HIS 55 -4.696 -6.131 4.746 403 HB2 HIS 55 HB2 HIS 55 -5.284 -5.939 1.788 404 HB3 HIS 55 HB3 HIS 55 -6.497 -5.600 3.007 405 HD1 HIS 55 HD1 HIS 55 -6.171 -3.190 1.545 406 HD2 HIS 55 HD2 HIS 55 -3.291 -4.226 4.413 407 HE1 HIS 55 HE1 HIS 55 -4.939 -1.034 2.132 408 H GLU 56 H GLU 56 -5.517 -8.139 1.827 409 HA GLU 56 HA GLU 56 -7.474 -9.563 3.118 410 HB2 GLU 56 HB2 GLU 56 -6.763 -11.324 1.201 411 HB3 GLU 56 HB3 GLU 56 -7.640 -9.849 0.843 412 HG2 GLU 56 HG2 GLU 56 -5.737 -8.750 -0.005 413 HG3 GLU 56 HG3 GLU 56 -4.622 -9.738 0.919 414 HE2 GLU 56 HE2 GLU 56 -6.581 -9.664 -1.873 415 H GLU 57 H GLU 57 -3.983 -9.823 3.283 416 HA GLU 57 HA GLU 57 -3.877 -12.524 4.024 417 HB2 GLU 57 HB2 GLU 57 -1.913 -11.339 3.150 418 HB3 GLU 57 HB3 GLU 57 -1.939 -10.219 4.498 419 HG2 GLU 57 HG2 GLU 57 -1.797 -12.457 5.956 420 HG3 GLU 57 HG3 GLU 57 -1.158 -13.139 4.474 421 HE2 GLU 57 HE2 GLU 57 0.820 -12.669 3.978 422 H MET 58 H MET 58 -3.620 -9.453 5.962 423 HA MET 58 HA MET 58 -3.846 -10.945 8.378 424 HB2 MET 58 HB2 MET 58 -3.862 -7.941 7.749 425 HB3 MET 58 HB3 MET 58 -3.842 -8.583 9.379 426 HG2 MET 58 HG2 MET 58 -1.744 -9.705 7.574 427 HG3 MET 58 HG3 MET 58 -1.579 -7.994 7.914 428 HE1 MET 58 HE1 MET 58 -1.177 -7.773 11.710 429 HE2 MET 58 HE2 MET 58 -1.204 -6.942 10.136 430 HE3 MET 58 HE3 MET 58 -2.713 -7.582 10.830 431 H LYS 59 H LYS 59 -6.056 -9.835 6.040 432 HA LYS 59 HA LYS 59 -8.269 -9.840 5.991 433 HB2 LYS 59 HB2 LYS 59 -7.715 -11.339 8.425 434 HB3 LYS 59 HB3 LYS 59 -9.212 -10.438 8.561 435 HG2 LYS 59 HG2 LYS 59 -8.495 -12.270 6.222 436 HG3 LYS 59 HG3 LYS 59 -9.529 -12.725 7.561 437 HD2 LYS 59 HD2 LYS 59 -10.386 -10.177 6.371 438 HD3 LYS 59 HD3 LYS 59 -10.329 -11.452 5.170 439 HE2 LYS 59 HE2 LYS 59 -12.200 -12.429 6.013 440 HE3 LYS 59 HE3 LYS 59 -11.513 -12.486 7.624 441 HZ1 LYS 59 HZ1 LYS 59 -13.429 -11.080 7.700 442 HZ2 LYS 59 HZ2 LYS 59 -12.153 -10.076 7.824 443 H LYS 60 H LYS 60 -6.375 -7.626 7.113 444 HA LYS 60 HA LYS 60 -8.572 -5.948 8.103 445 HB2 LYS 60 HB2 LYS 60 -5.677 -5.873 9.004 446 HB3 LYS 60 HB3 LYS 60 -6.933 -4.760 9.506 447 HG2 LYS 60 HG2 LYS 60 -8.174 -7.135 10.073 448 HG3 LYS 60 HG3 LYS 60 -6.503 -7.620 10.287 449 HD2 LYS 60 HD2 LYS 60 -6.388 -6.543 12.280 450 HD3 LYS 60 HD3 LYS 60 -6.877 -5.031 11.539 451 HE2 LYS 60 HE2 LYS 60 -9.272 -6.479 11.611 452 HE3 LYS 60 HE3 LYS 60 -8.486 -6.966 13.099 453 HZ1 LYS 60 HZ1 LYS 60 -9.837 -4.624 12.732 454 HZ2 LYS 60 HZ2 LYS 60 -8.820 -4.924 13.968 455 H GLY 61 H GLY 61 -8.666 -3.819 7.279 456 HA2 GLY 61 HA2 GLY 61 -7.788 -2.026 6.047 457 HA3 GLY 61 HA3 GLY 61 -6.656 -3.107 5.257 458 HA PRO 62 HA PRO 62 -10.608 -2.325 2.710 459 HB2 PRO 62 HB2 PRO 62 -9.455 -0.697 0.800 460 HB3 PRO 62 HB3 PRO 62 -10.168 -0.080 2.326 461 HG2 PRO 62 HG2 PRO 62 -7.431 -0.751 1.646 462 HG3 PRO 62 HG3 PRO 62 -7.863 0.796 2.445 463 HD2 PRO 62 HD2 PRO 62 -6.876 -1.201 3.928 464 HD3 PRO 62 HD3 PRO 62 -8.337 -0.354 4.519 465 H THR 63 H THR 63 -10.937 -4.111 1.388 466 HA THR 63 HA THR 63 -8.649 -4.918 -0.283 467 HB THR 63 HB THR 63 -9.362 -7.267 0.154 468 HG1 THR 63 HG1 THR 63 -11.097 -7.383 1.881 469 HG21 THR 63 HG21 THR 63 -9.471 -6.633 2.957 470 HG22 THR 63 HG22 THR 63 -8.068 -7.226 2.035 471 HG23 THR 63 HG23 THR 63 -8.348 -5.476 2.203 472 H LYS 64 H LYS 64 -11.786 -3.667 -0.173 473 HA LYS 64 HA LYS 64 -12.549 -4.969 -2.668 474 HB2 LYS 64 HB2 LYS 64 -14.187 -3.015 -1.042 475 HB3 LYS 64 HB3 LYS 64 -14.743 -4.139 -2.266 476 HG2 LYS 64 HG2 LYS 64 -15.115 -5.652 -0.619 477 HG3 LYS 64 HG3 LYS 64 -13.380 -5.766 -0.399 478 HD2 LYS 64 HD2 LYS 64 -13.880 -5.076 1.737 479 HD3 LYS 64 HD3 LYS 64 -13.828 -3.482 1.011 480 HE2 LYS 64 HE2 LYS 64 -16.446 -4.341 0.471 481 HE3 LYS 64 HE3 LYS 64 -16.141 -4.981 2.073 482 HZ1 LYS 64 HZ1 LYS 64 -16.984 -2.723 2.223 483 HZ2 LYS 64 HZ2 LYS 64 -15.444 -2.722 2.753 484 H CYS 65 H CYS 65 -13.272 -3.624 -4.508 485 HA CYS 65 HA CYS 65 -11.355 -1.626 -5.035 486 HB2 CYS 65 HB2 CYS 65 -13.790 -1.835 -6.727 487 HB3 CYS 65 HB3 CYS 65 -12.107 -1.664 -7.185 488 H GLY 66 H GLY 66 -11.908 0.674 -5.622 489 HA2 GLY 66 HA2 GLY 66 -13.189 2.579 -5.468 490 HA3 GLY 66 HA3 GLY 66 -14.420 1.706 -4.577 491 H GLU 67 H GLU 67 -12.548 0.478 -2.623 492 HA GLU 67 HA GLU 67 -12.525 2.636 -0.811 493 HB2 GLU 67 HB2 GLU 67 -12.599 -0.129 -0.610 494 HB3 GLU 67 HB3 GLU 67 -10.968 0.222 -0.074 495 HG2 GLU 67 HG2 GLU 67 -11.877 1.899 1.559 496 HG3 GLU 67 HG3 GLU 67 -13.505 1.516 1.035 497 HE2 GLU 67 HE2 GLU 67 -11.685 -0.383 3.790 498 H CYS 68 H CYS 68 -10.278 1.374 -3.154 499 HA CYS 68 HA CYS 68 -8.100 2.819 -1.833 500 HB2 CYS 68 HB2 CYS 68 -8.203 0.253 -3.206 501 HB3 CYS 68 HB3 CYS 68 -7.010 1.310 -3.934 502 H HIS 69 H HIS 69 -9.722 2.085 -4.997 503 HA HIS 69 HA HIS 69 -8.401 4.355 -6.198 504 HB2 HIS 69 HB2 HIS 69 -10.372 2.357 -7.345 505 HB3 HIS 69 HB3 HIS 69 -9.532 3.593 -8.259 506 HD1 HIS 69 HD1 HIS 69 -6.763 3.370 -8.151 507 HD2 HIS 69 HD2 HIS 69 -9.033 -0.030 -7.211 508 HE1 HIS 69 HE1 HIS 69 -5.188 1.375 -8.372 509 H LYS 70 H LYS 70 -9.208 6.289 -5.463 510 HA LYS 70 HA LYS 70 -12.132 6.539 -5.434 511 HB2 LYS 70 HB2 LYS 70 -9.959 7.952 -3.878 512 HB3 LYS 70 HB3 LYS 70 -11.588 8.586 -3.990 513 HG2 LYS 70 HG2 LYS 70 -11.951 5.852 -3.369 514 HG3 LYS 70 HG3 LYS 70 -10.576 6.335 -2.396 515 HD2 LYS 70 HD2 LYS 70 -11.984 7.343 -0.937 516 HD3 LYS 70 HD3 LYS 70 -12.453 8.474 -2.192 517 HE2 LYS 70 HE2 LYS 70 -14.541 7.576 -2.003 518 HE3 LYS 70 HE3 LYS 70 -13.906 6.212 -2.903 519 HZ1 LYS 70 HZ1 LYS 70 -13.652 6.339 0.043 520 HZ2 LYS 70 HZ2 LYS 70 -14.979 5.711 -0.662 521 H LYS 71 H LYS 71 -12.990 7.518 -7.179 522 HA LYS 71 HA LYS 71 -11.265 9.007 -8.929 523 HB2 LYS 71 HB2 LYS 71 -13.146 9.031 -10.427 524 HB3 LYS 71 HB3 LYS 71 -12.968 7.418 -9.766 525 HG2 LYS 71 HG2 LYS 71 -15.061 7.486 -8.895 526 HG3 LYS 71 HG3 LYS 71 -14.685 8.945 -8.000 527 HD2 LYS 71 HD2 LYS 71 -15.749 10.292 -9.512 528 HD3 LYS 71 HD3 LYS 71 -15.046 9.462 -10.887 529 HE2 LYS 71 HE2 LYS 71 -16.883 8.127 -11.172 530 HE3 LYS 71 HE3 LYS 71 -17.017 7.786 -9.459 531 HZ1 LYS 71 HZ1 LYS 71 -18.321 9.870 -10.994 532 HZ2 LYS 71 HZ2 LYS 71 -18.828 9.123 -9.639 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 7.541 12.972 4.059 2 HA ALA 1 HA ALA 1 6.554 13.011 6.037 3 HB1 ALA 1 HB1 ALA 1 3.791 13.499 5.265 4 HB2 ALA 1 HB2 ALA 1 4.934 14.569 6.112 5 HB3 ALA 1 HB3 ALA 1 4.901 14.532 4.333 6 H ASP 2 H ASP 2 3.708 11.851 4.117 7 HA ASP 2 HA ASP 2 4.193 9.167 4.786 8 HB2 ASP 2 HB2 ASP 2 1.607 9.804 6.005 9 HB3 ASP 2 HB3 ASP 2 2.932 8.862 6.658 10 HD2 ASP 2 HD2 ASP 2 4.124 9.763 8.128 11 H ASP 3 H ASP 3 1.731 11.743 4.102 12 HA ASP 3 HA ASP 3 -0.064 10.134 2.769 13 HB2 ASP 3 HB2 ASP 3 0.312 12.933 1.774 14 HB3 ASP 3 HB3 ASP 3 -1.160 12.120 2.265 15 HD2 ASP 3 HD2 ASP 3 -0.338 14.888 3.638 16 H ILE 4 H ILE 4 0.260 9.020 0.839 17 HA ILE 4 HA ILE 4 1.918 10.323 -1.192 18 HB ILE 4 HB ILE 4 2.140 7.469 -0.238 19 HG12 ILE 4 HG12 ILE 4 4.103 9.779 -0.270 20 HG13 ILE 4 HG13 ILE 4 3.364 9.052 1.143 21 HG21 ILE 4 HG21 ILE 4 3.746 8.630 -2.502 22 HG22 ILE 4 HG22 ILE 4 3.476 6.927 -2.059 23 HG23 ILE 4 HG23 ILE 4 2.160 7.875 -2.793 24 HD11 ILE 4 HD11 ILE 4 5.742 8.222 -0.261 25 HD12 ILE 4 HD12 ILE 4 5.039 7.537 1.224 26 HD13 ILE 4 HD13 ILE 4 4.538 6.915 -0.367 27 H VAL 5 H VAL 5 0.958 10.392 -3.169 28 HA VAL 5 HA VAL 5 -1.554 8.913 -3.411 29 HB VAL 5 HB VAL 5 -0.443 11.307 -4.887 30 HG11 VAL 5 HG11 VAL 5 -2.242 11.314 -6.301 31 HG12 VAL 5 HG12 VAL 5 -2.088 9.558 -6.055 32 HG13 VAL 5 HG13 VAL 5 -3.303 10.482 -5.140 33 HG21 VAL 5 HG21 VAL 5 -2.955 11.696 -3.486 34 HG22 VAL 5 HG22 VAL 5 -1.683 11.132 -2.375 35 HG23 VAL 5 HG23 VAL 5 -1.427 12.598 -3.352 36 H LEU 6 H LEU 6 -1.621 7.110 -4.644 37 HA LEU 6 HA LEU 6 0.636 6.672 -6.452 38 HB2 LEU 6 HB2 LEU 6 -1.374 4.746 -5.278 39 HB3 LEU 6 HB3 LEU 6 -0.078 4.312 -6.374 40 HG LEU 6 HG LEU 6 0.430 5.618 -3.694 41 HD11 LEU 6 HD11 LEU 6 1.088 3.189 -3.054 42 HD12 LEU 6 HD12 LEU 6 -0.623 3.676 -2.997 43 HD13 LEU 6 HD13 LEU 6 -0.014 2.724 -4.372 44 HD21 LEU 6 HD21 LEU 6 2.093 4.775 -5.923 45 HD22 LEU 6 HD22 LEU 6 2.498 5.760 -4.497 46 HD23 LEU 6 HD23 LEU 6 2.570 3.984 -4.402 47 H LYS 7 H LYS 7 0.177 7.638 -8.391 48 HA LYS 7 HA LYS 7 -2.324 8.067 -9.432 49 HB2 LYS 7 HB2 LYS 7 0.350 7.680 -10.801 50 HB3 LYS 7 HB3 LYS 7 -1.095 8.212 -11.637 51 HG2 LYS 7 HG2 LYS 7 -0.912 10.327 -10.814 52 HG3 LYS 7 HG3 LYS 7 -0.696 9.752 -9.173 53 HD2 LYS 7 HD2 LYS 7 1.557 9.620 -11.218 54 HD3 LYS 7 HD3 LYS 7 1.275 11.057 -10.255 55 HE2 LYS 7 HE2 LYS 7 1.273 9.294 -8.229 56 HE3 LYS 7 HE3 LYS 7 2.193 8.322 -9.360 57 HZ1 LYS 7 HZ1 LYS 7 3.342 10.803 -9.533 58 HZ2 LYS 7 HZ2 LYS 7 3.028 10.664 -7.941 59 H ALA 8 H ALA 8 -3.801 6.907 -10.642 60 HA ALA 8 HA ALA 8 -3.038 4.277 -11.588 61 HB1 ALA 8 HB1 ALA 8 -3.704 3.585 -9.439 62 HB2 ALA 8 HB2 ALA 8 -5.004 4.798 -9.348 63 HB3 ALA 8 HB3 ALA 8 -5.181 3.381 -10.411 64 H LYS 9 H LYS 9 -4.236 3.665 -13.400 65 HA LYS 9 HA LYS 9 -5.769 5.769 -14.588 66 HB2 LYS 9 HB2 LYS 9 -5.719 4.443 -16.556 67 HB3 LYS 9 HB3 LYS 9 -4.141 4.298 -15.809 68 HG2 LYS 9 HG2 LYS 9 -4.379 2.053 -15.536 69 HG3 LYS 9 HG3 LYS 9 -5.940 2.243 -14.764 70 HD2 LYS 9 HD2 LYS 9 -6.838 1.311 -16.633 71 HD3 LYS 9 HD3 LYS 9 -6.515 2.836 -17.433 72 HE2 LYS 9 HE2 LYS 9 -4.115 1.881 -17.866 73 HE3 LYS 9 HE3 LYS 9 -4.795 0.326 -17.430 74 HZ1 LYS 9 HZ1 LYS 9 -6.559 1.506 -19.245 75 HZ2 LYS 9 HZ2 LYS 9 -5.070 1.698 -19.876 76 H ASN 10 H ASN 10 -6.500 3.671 -12.157 77 HA ASN 10 HA ASN 10 -9.250 3.467 -13.103 78 HB2 ASN 10 HB2 ASN 10 -8.046 1.228 -12.879 79 HB3 ASN 10 HB3 ASN 10 -7.826 1.560 -11.173 80 HD21 ASN 10 HD21 ASN 10 -9.973 0.571 -13.661 81 HD22 ASN 10 HD22 ASN 10 -11.369 0.219 -12.698 82 H GLY 11 H GLY 11 -7.675 5.561 -11.512 83 HA2 GLY 11 HA2 GLY 11 -8.748 6.970 -9.928 84 HA3 GLY 11 HA3 GLY 11 -9.396 5.559 -9.117 85 H ASP 12 H ASP 12 -7.075 7.951 -8.891 86 HA ASP 12 HA ASP 12 -4.766 6.742 -8.195 87 HB2 ASP 12 HB2 ASP 12 -4.265 8.742 -6.909 88 HB3 ASP 12 HB3 ASP 12 -5.210 9.220 -8.305 89 HD2 ASP 12 HD2 ASP 12 -5.457 10.674 -5.306 90 H VAL 13 H VAL 13 -3.844 6.242 -5.981 91 HA VAL 13 HA VAL 13 -5.954 5.386 -4.120 92 HB VAL 13 HB VAL 13 -3.292 4.081 -4.723 93 HG11 VAL 13 HG11 VAL 13 -4.426 2.208 -3.310 94 HG12 VAL 13 HG12 VAL 13 -3.664 3.586 -2.478 95 HG13 VAL 13 HG13 VAL 13 -5.432 3.532 -2.675 96 HG21 VAL 13 HG21 VAL 13 -4.580 2.273 -5.715 97 HG22 VAL 13 HG22 VAL 13 -6.104 3.113 -5.338 98 HG23 VAL 13 HG23 VAL 13 -4.974 3.808 -6.525 99 H LYS 14 H LYS 14 -5.906 6.382 -2.173 100 HA LYS 14 HA LYS 14 -3.606 8.041 -1.585 101 HB2 LYS 14 HB2 LYS 14 -6.029 8.810 -1.434 102 HB3 LYS 14 HB3 LYS 14 -6.181 7.792 -0.016 103 HG2 LYS 14 HG2 LYS 14 -3.930 9.824 -0.239 104 HG3 LYS 14 HG3 LYS 14 -5.520 10.304 0.319 105 HD2 LYS 14 HD2 LYS 14 -5.384 8.469 2.080 106 HD3 LYS 14 HD3 LYS 14 -3.733 8.168 1.574 107 HE2 LYS 14 HE2 LYS 14 -3.235 9.706 3.212 108 HE3 LYS 14 HE3 LYS 14 -3.578 10.865 1.943 109 HZ1 LYS 14 HZ1 LYS 14 -5.607 11.380 2.874 110 HZ2 LYS 14 HZ2 LYS 14 -5.847 9.910 3.533 111 H PHE 15 H PHE 15 -1.889 6.914 -0.782 112 HA PHE 15 HA PHE 15 -2.481 4.860 1.213 113 HB2 PHE 15 HB2 PHE 15 -1.075 4.282 -0.789 114 HB3 PHE 15 HB3 PHE 15 -0.013 5.635 -0.454 115 HD1 PHE 15 HD1 PHE 15 -1.355 2.690 1.426 116 HD2 PHE 15 HD2 PHE 15 2.016 5.080 0.462 117 HE1 PHE 15 HE1 PHE 15 0.100 1.201 2.828 118 HE2 PHE 15 HE2 PHE 15 3.472 3.591 1.864 119 HZ PHE 15 HZ PHE 15 2.497 1.669 3.030 120 HA PRO 16 HA PRO 16 -0.912 7.747 4.210 121 HB2 PRO 16 HB2 PRO 16 -1.813 6.415 6.406 122 HB3 PRO 16 HB3 PRO 16 -2.939 7.221 5.267 123 HG2 PRO 16 HG2 PRO 16 -2.529 4.088 5.411 124 HG3 PRO 16 HG3 PRO 16 -3.712 5.415 5.169 125 HD2 PRO 16 HD2 PRO 16 -2.017 3.986 3.193 126 HD3 PRO 16 HD3 PRO 16 -3.369 5.121 2.898 127 H HIS 17 H HIS 17 1.394 7.406 3.824 128 HA HIS 17 HA HIS 17 2.558 4.973 4.775 129 HB2 HIS 17 HB2 HIS 17 3.389 6.168 2.781 130 HB3 HIS 17 HB3 HIS 17 3.836 7.536 3.781 131 HD1 HIS 17 HD1 HIS 17 5.725 6.975 5.703 132 HD2 HIS 17 HD2 HIS 17 5.337 4.244 2.543 133 HE1 HIS 17 HE1 HIS 17 7.864 5.584 5.694 134 H LYS 18 H LYS 18 1.156 5.876 6.902 135 HA LYS 18 HA LYS 18 3.299 6.715 8.691 136 HB2 LYS 18 HB2 LYS 18 2.418 8.814 8.553 137 HB3 LYS 18 HB3 LYS 18 0.824 8.252 8.091 138 HG2 LYS 18 HG2 LYS 18 0.383 7.494 10.411 139 HG3 LYS 18 HG3 LYS 18 2.005 7.950 10.892 140 HD2 LYS 18 HD2 LYS 18 -0.068 9.901 9.782 141 HD3 LYS 18 HD3 LYS 18 0.247 9.666 11.490 142 HE2 LYS 18 HE2 LYS 18 2.742 10.137 10.008 143 HE3 LYS 18 HE3 LYS 18 1.599 11.441 9.753 144 HZ1 LYS 18 HZ1 LYS 18 3.131 10.971 12.040 145 HZ2 LYS 18 HZ2 LYS 18 2.045 12.164 11.816 146 H ALA 19 H ALA 19 -0.277 6.051 8.779 147 HA ALA 19 HA ALA 19 -0.233 4.735 11.202 148 HB1 ALA 19 HB1 ALA 19 -2.063 4.427 8.789 149 HB2 ALA 19 HB2 ALA 19 -2.417 3.788 10.413 150 HB3 ALA 19 HB3 ALA 19 -2.275 5.544 10.158 151 H HIS 20 H HIS 20 0.890 3.723 8.038 152 HA HIS 20 HA HIS 20 0.720 0.932 8.634 153 HB2 HIS 20 HB2 HIS 20 1.847 2.585 6.387 154 HB3 HIS 20 HB3 HIS 20 2.252 0.885 6.516 155 HD1 HIS 20 HD1 HIS 20 -0.663 3.201 5.861 156 HD2 HIS 20 HD2 HIS 20 0.185 -0.907 5.858 157 HE1 HIS 20 HE1 HIS 20 -2.657 2.061 4.751 158 H GLN 21 H GLN 21 2.510 3.329 9.995 159 HA GLN 21 HA GLN 21 4.990 1.842 9.975 160 HB2 GLN 21 HB2 GLN 21 4.248 4.585 11.076 161 HB3 GLN 21 HB3 GLN 21 5.832 3.865 11.284 162 HG2 GLN 21 HG2 GLN 21 6.299 3.906 8.941 163 HG3 GLN 21 HG3 GLN 21 4.611 4.099 8.513 164 HE21 GLN 21 HE21 GLN 21 6.723 5.713 7.601 165 HE22 GLN 21 HE22 GLN 21 6.493 7.335 8.160 166 H LYS 22 H LYS 22 2.615 3.260 12.334 167 HA LYS 22 HA LYS 22 3.794 1.986 14.559 168 HB2 LYS 22 HB2 LYS 22 1.135 3.342 14.081 169 HB3 LYS 22 HB3 LYS 22 1.546 2.618 15.622 170 HG2 LYS 22 HG2 LYS 22 3.651 4.392 14.460 171 HG3 LYS 22 HG3 LYS 22 2.167 5.205 14.916 172 HD2 LYS 22 HD2 LYS 22 2.717 3.432 17.065 173 HD3 LYS 22 HD3 LYS 22 4.273 4.110 16.631 174 HE2 LYS 22 HE2 LYS 22 3.712 5.993 17.765 175 HE3 LYS 22 HE3 LYS 22 2.486 6.311 16.555 176 HZ1 LYS 22 HZ1 LYS 22 1.366 4.407 18.197 177 HZ2 LYS 22 HZ2 LYS 22 2.126 5.405 19.236 178 H ALA 23 H ALA 23 1.553 0.982 12.034 179 HA ALA 23 HA ALA 23 0.577 -1.260 13.556 180 HB1 ALA 23 HB1 ALA 23 -1.020 -0.429 12.071 181 HB2 ALA 23 HB2 ALA 23 0.178 -0.123 10.790 182 HB3 ALA 23 HB3 ALA 23 -0.339 -1.789 11.145 183 H VAL 24 H VAL 24 3.188 -0.474 11.291 184 HA VAL 24 HA VAL 24 4.160 -3.205 11.628 185 HB VAL 24 HB VAL 24 3.986 -1.755 8.979 186 HG11 VAL 24 HG11 VAL 24 4.632 -4.604 8.923 187 HG12 VAL 24 HG12 VAL 24 5.435 -3.232 8.122 188 HG13 VAL 24 HG13 VAL 24 5.849 -3.648 9.802 189 HG21 VAL 24 HG21 VAL 24 2.616 -4.068 8.614 190 HG22 VAL 24 HG22 VAL 24 2.225 -3.730 10.318 191 HG23 VAL 24 HG23 VAL 24 1.856 -2.523 9.063 192 HA PRO 25 HA PRO 25 6.926 0.406 12.902 193 HB2 PRO 25 HB2 PRO 25 7.665 -2.037 14.576 194 HB3 PRO 25 HB3 PRO 25 7.695 -0.293 14.993 195 HG2 PRO 25 HG2 PRO 25 5.314 -1.708 15.783 196 HG3 PRO 25 HG3 PRO 25 5.659 -0.126 15.010 197 HD2 PRO 25 HD2 PRO 25 4.806 -2.781 13.709 198 HD3 PRO 25 HD3 PRO 25 4.010 -1.183 13.576 199 H ASP 26 H ASP 26 7.307 -2.983 11.781 200 HA ASP 26 HA ASP 26 10.094 -2.641 11.357 201 HB2 ASP 26 HB2 ASP 26 9.017 -4.859 11.825 202 HB3 ASP 26 HB3 ASP 26 8.147 -4.749 10.307 203 HD2 ASP 26 HD2 ASP 26 11.374 -3.679 10.232 204 H CYS 27 H CYS 27 10.863 -1.419 9.628 205 HA CYS 27 HA CYS 27 9.092 -0.840 7.443 206 HB2 CYS 27 HB2 CYS 27 11.962 0.007 7.513 207 HB3 CYS 27 HB3 CYS 27 10.571 0.829 6.834 208 H LYS 28 H LYS 28 11.391 -3.247 8.336 209 HA LYS 28 HA LYS 28 12.411 -3.739 5.709 210 HB2 LYS 28 HB2 LYS 28 12.552 -5.344 8.278 211 HB3 LYS 28 HB3 LYS 28 13.394 -5.755 6.798 212 HG2 LYS 28 HG2 LYS 28 14.139 -3.122 7.063 213 HG3 LYS 28 HG3 LYS 28 13.944 -3.558 8.749 214 HD2 LYS 28 HD2 LYS 28 15.368 -5.657 7.262 215 HD3 LYS 28 HD3 LYS 28 16.179 -4.111 7.112 216 HE2 LYS 28 HE2 LYS 28 17.133 -4.839 9.103 217 HE3 LYS 28 HE3 LYS 28 15.747 -3.987 9.753 218 HZ1 LYS 28 HZ1 LYS 28 15.424 -6.000 10.753 219 HZ2 LYS 28 HZ2 LYS 28 14.670 -6.388 9.362 220 H LYS 29 H LYS 29 9.376 -4.075 7.059 221 HA LYS 29 HA LYS 29 8.707 -6.683 6.199 222 HB2 LYS 29 HB2 LYS 29 7.329 -4.324 7.327 223 HB3 LYS 29 HB3 LYS 29 6.333 -5.328 6.292 224 HG2 LYS 29 HG2 LYS 29 8.066 -6.530 8.490 225 HG3 LYS 29 HG3 LYS 29 6.446 -5.945 8.816 226 HD2 LYS 29 HD2 LYS 29 6.390 -7.608 6.431 227 HD3 LYS 29 HD3 LYS 29 7.209 -8.477 7.713 228 HE2 LYS 29 HE2 LYS 29 5.322 -8.363 9.172 229 HE3 LYS 29 HE3 LYS 29 4.590 -7.047 8.277 230 HZ1 LYS 29 HZ1 LYS 29 3.399 -8.807 7.445 231 HZ2 LYS 29 HZ2 LYS 29 4.623 -8.872 6.372 232 H CYS 30 H CYS 30 8.259 -3.381 4.772 233 HA CYS 30 HA CYS 30 7.470 -4.680 2.290 234 HB2 CYS 30 HB2 CYS 30 7.443 -1.706 2.852 235 HB3 CYS 30 HB3 CYS 30 6.591 -2.577 1.593 236 H HIS 31 H HIS 31 9.704 -2.115 3.590 237 HA HIS 31 HA HIS 31 11.188 -1.984 1.191 238 HB2 HIS 31 HB2 HIS 31 11.831 -1.033 3.997 239 HB3 HIS 31 HB3 HIS 31 12.764 -0.633 2.568 240 HD1 HIS 31 HD1 HIS 31 11.074 0.492 0.547 241 HD2 HIS 31 HD2 HIS 31 10.011 0.904 4.583 242 HE1 HIS 31 HE1 HIS 31 9.452 2.459 0.662 243 H GLU 32 H GLU 32 12.390 -3.647 0.421 244 HA GLU 32 HA GLU 32 13.523 -5.472 2.348 245 HB2 GLU 32 HB2 GLU 32 12.764 -5.573 -0.522 246 HB3 GLU 32 HB3 GLU 32 14.242 -6.435 -0.143 247 HG2 GLU 32 HG2 GLU 32 12.912 -7.504 1.827 248 HG3 GLU 32 HG3 GLU 32 11.475 -6.870 1.049 249 HE2 GLU 32 HE2 GLU 32 11.219 -9.295 0.979 250 H LYS 33 H LYS 33 14.529 -3.348 -0.410 251 HA LYS 33 HA LYS 33 17.309 -3.753 0.342 252 HB2 LYS 33 HB2 LYS 33 16.012 -2.367 -2.022 253 HB3 LYS 33 HB3 LYS 33 17.741 -2.436 -1.749 254 HG2 LYS 33 HG2 LYS 33 17.059 -5.099 -1.451 255 HG3 LYS 33 HG3 LYS 33 15.876 -4.584 -2.638 256 HD2 LYS 33 HD2 LYS 33 17.617 -3.788 -4.148 257 HD3 LYS 33 HD3 LYS 33 18.854 -3.990 -2.924 258 HE2 LYS 33 HE2 LYS 33 19.003 -6.272 -3.246 259 HE3 LYS 33 HE3 LYS 33 17.281 -6.455 -3.518 260 HZ1 LYS 33 HZ1 LYS 33 18.015 -5.061 -5.697 261 HZ2 LYS 33 HZ2 LYS 33 19.370 -5.932 -5.455 262 H GLY 34 H GLY 34 15.388 -2.370 2.147 263 HA2 GLY 34 HA2 GLY 34 15.845 -0.683 3.648 264 HA3 GLY 34 HA3 GLY 34 16.973 0.045 2.522 265 HA PRO 35 HA PRO 35 12.839 2.357 2.698 266 HB2 PRO 35 HB2 PRO 35 13.965 4.779 3.367 267 HB3 PRO 35 HB3 PRO 35 13.513 3.539 4.582 268 HG2 PRO 35 HG2 PRO 35 16.004 3.954 3.279 269 HG3 PRO 35 HG3 PRO 35 16.082 3.836 5.067 270 HD2 PRO 35 HD2 PRO 35 16.680 1.641 3.857 271 HD3 PRO 35 HD3 PRO 35 15.234 1.487 4.902 272 H GLY 36 H GLY 36 12.090 3.478 0.848 273 HA2 GLY 36 HA2 GLY 36 13.001 5.255 -0.762 274 HA3 GLY 36 HA3 GLY 36 14.156 4.007 -1.186 275 H LYS 37 H LYS 37 12.958 4.535 -3.365 276 HA LYS 37 HA LYS 37 10.337 3.641 -3.734 277 HB2 LYS 37 HB2 LYS 37 12.064 5.065 -5.210 278 HB3 LYS 37 HB3 LYS 37 12.297 3.508 -5.980 279 HG2 LYS 37 HG2 LYS 37 10.218 3.530 -6.940 280 HG3 LYS 37 HG3 LYS 37 9.444 4.122 -5.484 281 HD2 LYS 37 HD2 LYS 37 9.301 6.178 -6.422 282 HD3 LYS 37 HD3 LYS 37 11.051 6.280 -6.423 283 HE2 LYS 37 HE2 LYS 37 11.152 5.185 -8.642 284 HE3 LYS 37 HE3 LYS 37 9.415 4.948 -8.635 285 HZ1 LYS 37 HZ1 LYS 37 9.866 7.661 -8.160 286 HZ2 LYS 37 HZ2 LYS 37 10.833 7.258 -9.407 287 H ILE 38 H ILE 38 9.494 1.679 -4.606 288 HA ILE 38 HA ILE 38 11.266 -0.595 -4.080 289 HB ILE 38 HB ILE 38 8.252 -0.392 -4.111 290 HG12 ILE 38 HG12 ILE 38 10.109 -0.865 -1.765 291 HG13 ILE 38 HG13 ILE 38 9.470 0.709 -2.193 292 HG21 ILE 38 HG21 ILE 38 9.165 -2.586 -4.910 293 HG22 ILE 38 HG22 ILE 38 9.949 -2.771 -3.323 294 HG23 ILE 38 HG23 ILE 38 8.175 -2.680 -3.433 295 HD11 ILE 38 HD11 ILE 38 7.762 -1.749 -1.587 296 HD12 ILE 38 HD12 ILE 38 8.088 -0.422 -0.448 297 HD13 ILE 38 HD13 ILE 38 7.155 -0.111 -1.931 298 H GLU 39 H GLU 39 12.093 -1.650 -5.796 299 HA GLU 39 HA GLU 39 11.053 -1.008 -8.378 300 HB2 GLU 39 HB2 GLU 39 13.406 -2.653 -7.386 301 HB3 GLU 39 HB3 GLU 39 12.962 -2.634 -9.081 302 HG2 GLU 39 HG2 GLU 39 13.031 0.089 -7.994 303 HG3 GLU 39 HG3 GLU 39 14.556 -0.729 -7.716 304 HE2 GLU 39 HE2 GLU 39 12.703 0.256 -10.876 305 H GLY 40 H GLY 40 9.824 -2.329 -9.720 306 HA2 GLY 40 HA2 GLY 40 9.109 -4.457 -10.450 307 HA3 GLY 40 HA3 GLY 40 9.355 -5.099 -8.838 308 H PHE 41 H PHE 41 8.107 -2.878 -7.370 309 HA PHE 41 HA PHE 41 5.623 -3.727 -6.983 310 HB2 PHE 41 HB2 PHE 41 6.885 -1.836 -5.829 311 HB3 PHE 41 HB3 PHE 41 6.569 -0.806 -7.211 312 HD1 PHE 41 HD1 PHE 41 4.328 0.079 -7.618 313 HD2 PHE 41 HD2 PHE 41 5.137 -2.343 -4.229 314 HE1 PHE 41 HE1 PHE 41 2.172 0.824 -6.571 315 HE2 PHE 41 HE2 PHE 41 2.981 -1.598 -3.182 316 HZ PHE 41 HZ PHE 41 1.524 -0.024 -4.366 317 H GLY 42 H GLY 42 3.438 -2.840 -7.566 318 HA2 GLY 42 HA2 GLY 42 2.801 -1.218 -9.648 319 HA3 GLY 42 HA3 GLY 42 3.175 -2.740 -10.432 320 H LYS 43 H LYS 43 0.920 -2.932 -11.093 321 HA LYS 43 HA LYS 43 -1.199 -2.880 -9.282 322 HB2 LYS 43 HB2 LYS 43 -1.230 -2.746 -11.835 323 HB3 LYS 43 HB3 LYS 43 -1.099 -4.493 -11.839 324 HG2 LYS 43 HG2 LYS 43 -3.133 -4.048 -9.976 325 HG3 LYS 43 HG3 LYS 43 -3.418 -2.783 -11.155 326 HD2 LYS 43 HD2 LYS 43 -2.799 -5.279 -12.529 327 HD3 LYS 43 HD3 LYS 43 -4.090 -5.549 -11.375 328 HE2 LYS 43 HE2 LYS 43 -5.591 -4.314 -12.584 329 HE3 LYS 43 HE3 LYS 43 -4.438 -3.027 -12.877 330 HZ1 LYS 43 HZ1 LYS 43 -3.738 -4.011 -14.816 331 HZ2 LYS 43 HZ2 LYS 43 -3.990 -5.538 -14.309 332 H GLU 44 H GLU 44 -0.101 -5.894 -10.959 333 HA GLU 44 HA GLU 44 -1.189 -7.693 -9.405 334 HB2 GLU 44 HB2 GLU 44 1.539 -7.632 -10.701 335 HB3 GLU 44 HB3 GLU 44 1.085 -9.030 -9.747 336 HG2 GLU 44 HG2 GLU 44 0.534 -8.975 -12.334 337 HG3 GLU 44 HG3 GLU 44 -0.626 -9.663 -11.214 338 HE2 GLU 44 HE2 GLU 44 -0.580 -6.149 -12.819 339 H MET 45 H MET 45 1.638 -5.689 -8.515 340 HA MET 45 HA MET 45 2.250 -7.156 -6.200 341 HB2 MET 45 HB2 MET 45 3.501 -5.214 -7.670 342 HB3 MET 45 HB3 MET 45 2.853 -4.202 -6.395 343 HG2 MET 45 HG2 MET 45 4.907 -4.803 -5.450 344 HG3 MET 45 HG3 MET 45 3.878 -6.054 -4.781 345 HE1 MET 45 HE1 MET 45 6.835 -8.052 -5.119 346 HE2 MET 45 HE2 MET 45 7.532 -6.570 -5.814 347 HE3 MET 45 HE3 MET 45 6.389 -6.462 -4.454 348 H ALA 46 H ALA 46 0.637 -3.926 -6.680 349 HA ALA 46 HA ALA 46 -0.002 -3.449 -4.056 350 HB1 ALA 46 HB1 ALA 46 -1.636 -2.774 -6.535 351 HB2 ALA 46 HB2 ALA 46 -1.697 -1.935 -4.967 352 HB3 ALA 46 HB3 ALA 46 -0.222 -1.860 -5.960 353 H HIS 47 H HIS 47 -1.984 -5.155 -6.578 354 HA HIS 47 HA HIS 47 -4.002 -5.815 -4.712 355 HB2 HIS 47 HB2 HIS 47 -3.412 -7.008 -7.435 356 HB3 HIS 47 HB3 HIS 47 -4.902 -7.192 -6.530 357 HD1 HIS 47 HD1 HIS 47 -4.531 -5.795 -9.420 358 HD2 HIS 47 HD2 HIS 47 -5.068 -3.860 -5.737 359 HE1 HIS 47 HE1 HIS 47 -5.483 -3.489 -9.956 360 H GLY 48 H GLY 48 -0.988 -7.332 -5.856 361 HA2 GLY 48 HA2 GLY 48 -1.556 -9.916 -4.763 362 HA3 GLY 48 HA3 GLY 48 -0.021 -9.318 -5.359 363 H LYS 49 H LYS 49 1.442 -9.713 -3.732 364 HA LYS 49 HA LYS 49 0.633 -9.266 -0.992 365 HB2 LYS 49 HB2 LYS 49 2.680 -10.353 -0.402 366 HB3 LYS 49 HB3 LYS 49 1.925 -11.279 -1.684 367 HG2 LYS 49 HG2 LYS 49 3.875 -9.128 -2.492 368 HG3 LYS 49 HG3 LYS 49 4.532 -10.580 -1.763 369 HD2 LYS 49 HD2 LYS 49 2.659 -11.578 -3.604 370 HD3 LYS 49 HD3 LYS 49 3.349 -10.201 -4.440 371 HE2 LYS 49 HE2 LYS 49 4.876 -11.870 -5.035 372 HE3 LYS 49 HE3 LYS 49 5.668 -11.203 -3.621 373 HZ1 LYS 49 HZ1 LYS 49 5.209 -13.775 -3.821 374 HZ2 LYS 49 HZ2 LYS 49 5.125 -13.044 -2.368 375 H GLY 50 H GLY 50 0.501 -6.917 -2.570 376 HA2 GLY 50 HA2 GLY 50 2.891 -5.419 -1.686 377 HA3 GLY 50 HA3 GLY 50 1.862 -4.994 -3.039 378 H CYS 51 H CYS 51 -0.709 -5.110 -2.151 379 HA CYS 51 HA CYS 51 -0.688 -3.389 0.221 380 HB2 CYS 51 HB2 CYS 51 -2.420 -3.118 -2.244 381 HB3 CYS 51 HB3 CYS 51 -2.622 -2.195 -0.769 382 H LYS 52 H LYS 52 -3.439 -4.598 -1.764 383 HA LYS 52 HA LYS 52 -5.029 -5.396 0.252 384 HB2 LYS 52 HB2 LYS 52 -4.692 -6.415 -2.562 385 HB3 LYS 52 HB3 LYS 52 -5.882 -7.132 -1.495 386 HG2 LYS 52 HG2 LYS 52 -6.336 -4.424 -1.088 387 HG3 LYS 52 HG3 LYS 52 -5.864 -4.448 -2.776 388 HD2 LYS 52 HD2 LYS 52 -7.897 -6.454 -1.753 389 HD3 LYS 52 HD3 LYS 52 -8.401 -4.816 -2.119 390 HE2 LYS 52 HE2 LYS 52 -8.101 -5.076 -4.402 391 HE3 LYS 52 HE3 LYS 52 -6.717 -6.134 -4.213 392 HZ1 LYS 52 HZ1 LYS 52 -8.740 -7.627 -3.198 393 HZ2 LYS 52 HZ2 LYS 52 -9.504 -6.841 -4.403 394 H GLY 53 H GLY 53 -2.464 -7.387 -1.349 395 HA2 GLY 53 HA2 GLY 53 -2.692 -9.809 -0.327 396 HA3 GLY 53 HA3 GLY 53 -1.152 -8.975 -0.360 397 H CYS 54 H CYS 54 -0.838 -7.323 1.573 398 HA CYS 54 HA CYS 54 -0.778 -8.786 3.895 399 HB2 CYS 54 HB2 CYS 54 0.575 -6.721 3.316 400 HB3 CYS 54 HB3 CYS 54 -0.822 -5.757 3.755 401 H HIS 55 H HIS 55 -3.162 -6.362 2.662 402 HA HIS 55 HA HIS 55 -4.719 -6.150 4.915 403 HB2 HIS 55 HB2 HIS 55 -5.413 -5.981 1.975 404 HB3 HIS 55 HB3 HIS 55 -6.563 -5.609 3.244 405 HD1 HIS 55 HD1 HIS 55 -6.232 -3.239 1.679 406 HD2 HIS 55 HD2 HIS 55 -3.324 -4.240 4.532 407 HE1 HIS 55 HE1 HIS 55 -4.962 -1.087 2.190 408 H GLU 56 H GLU 56 -5.641 -8.143 2.018 409 HA GLU 56 HA GLU 56 -7.549 -9.581 3.336 410 HB2 GLU 56 HB2 GLU 56 -6.875 -11.359 1.444 411 HB3 GLU 56 HB3 GLU 56 -7.706 -9.866 1.054 412 HG2 GLU 56 HG2 GLU 56 -5.819 -8.887 0.108 413 HG3 GLU 56 HG3 GLU 56 -4.709 -9.729 1.171 414 HE2 GLU 56 HE2 GLU 56 -4.174 -10.633 -1.979 415 H GLU 57 H GLU 57 -4.071 -9.784 3.552 416 HA GLU 57 HA GLU 57 -3.844 -12.471 4.222 417 HB2 GLU 57 HB2 GLU 57 -2.159 -10.073 4.226 418 HB3 GLU 57 HB3 GLU 57 -1.806 -11.092 5.608 419 HG2 GLU 57 HG2 GLU 57 -1.750 -11.888 2.665 420 HG3 GLU 57 HG3 GLU 57 -0.394 -11.829 3.774 421 HE2 GLU 57 HE2 GLU 57 -2.281 -13.946 2.353 422 H MET 58 H MET 58 -4.125 -9.490 6.279 423 HA MET 58 HA MET 58 -4.538 -11.222 8.562 424 HB2 MET 58 HB2 MET 58 -4.234 -8.176 8.308 425 HB3 MET 58 HB3 MET 58 -4.353 -9.031 9.833 426 HG2 MET 58 HG2 MET 58 -2.272 -10.203 8.112 427 HG3 MET 58 HG3 MET 58 -1.985 -8.496 8.388 428 HE1 MET 58 HE1 MET 58 -2.878 -7.599 10.852 429 HE2 MET 58 HE2 MET 58 -1.901 -8.173 12.224 430 HE3 MET 58 HE3 MET 58 -1.102 -7.526 10.771 431 H LYS 59 H LYS 59 -6.405 -9.945 6.125 432 HA LYS 59 HA LYS 59 -8.590 -9.715 5.875 433 HB2 LYS 59 HB2 LYS 59 -8.417 -11.167 8.415 434 HB3 LYS 59 HB3 LYS 59 -9.864 -10.186 8.295 435 HG2 LYS 59 HG2 LYS 59 -8.939 -12.113 6.113 436 HG3 LYS 59 HG3 LYS 59 -10.103 -12.535 7.353 437 HD2 LYS 59 HD2 LYS 59 -10.850 -10.004 6.099 438 HD3 LYS 59 HD3 LYS 59 -10.619 -11.235 4.874 439 HE2 LYS 59 HE2 LYS 59 -12.049 -12.721 6.617 440 HE3 LYS 59 HE3 LYS 59 -12.623 -11.145 7.124 441 HZ1 LYS 59 HZ1 LYS 59 -14.061 -11.543 5.402 442 HZ2 LYS 59 HZ2 LYS 59 -12.879 -10.873 4.504 443 H LYS 60 H LYS 60 -6.574 -7.741 7.394 444 HA LYS 60 HA LYS 60 -8.674 -5.864 8.221 445 HB2 LYS 60 HB2 LYS 60 -5.741 -5.872 8.988 446 HB3 LYS 60 HB3 LYS 60 -6.971 -4.773 9.578 447 HG2 LYS 60 HG2 LYS 60 -7.673 -7.648 9.885 448 HG3 LYS 60 HG3 LYS 60 -6.258 -7.160 10.796 449 HD2 LYS 60 HD2 LYS 60 -7.720 -6.409 12.373 450 HD3 LYS 60 HD3 LYS 60 -8.000 -5.054 11.299 451 HE2 LYS 60 HE2 LYS 60 -10.179 -5.712 11.253 452 HE3 LYS 60 HE3 LYS 60 -9.657 -7.022 10.213 453 HZ1 LYS 60 HZ1 LYS 60 -10.313 -8.395 11.849 454 HZ2 LYS 60 HZ2 LYS 60 -9.095 -7.860 12.788 455 H GLY 61 H GLY 61 -8.607 -3.697 7.429 456 HA2 GLY 61 HA2 GLY 61 -7.765 -1.990 6.105 457 HA3 GLY 61 HA3 GLY 61 -6.650 -3.105 5.340 458 HA PRO 62 HA PRO 62 -10.606 -2.295 2.789 459 HB2 PRO 62 HB2 PRO 62 -9.414 -0.728 0.846 460 HB3 PRO 62 HB3 PRO 62 -10.136 -0.069 2.351 461 HG2 PRO 62 HG2 PRO 62 -7.399 -0.770 1.717 462 HG3 PRO 62 HG3 PRO 62 -7.837 0.791 2.485 463 HD2 PRO 62 HD2 PRO 62 -6.875 -1.183 4.014 464 HD3 PRO 62 HD3 PRO 62 -8.345 -0.326 4.570 465 H THR 63 H THR 63 -10.974 -4.090 1.490 466 HA THR 63 HA THR 63 -8.694 -4.984 -0.149 467 HB THR 63 HB THR 63 -9.492 -7.305 0.312 468 HG1 THR 63 HG1 THR 63 -11.754 -6.444 0.669 469 HG21 THR 63 HG21 THR 63 -9.590 -6.528 3.109 470 HG22 THR 63 HG22 THR 63 -8.266 -7.339 2.238 471 HG23 THR 63 HG23 THR 63 -8.343 -5.562 2.286 472 H LYS 64 H LYS 64 -11.806 -3.654 -0.085 473 HA LYS 64 HA LYS 64 -12.545 -4.949 -2.596 474 HB2 LYS 64 HB2 LYS 64 -14.189 -3.042 -0.912 475 HB3 LYS 64 HB3 LYS 64 -14.747 -4.060 -2.224 476 HG2 LYS 64 HG2 LYS 64 -13.384 -5.755 -0.331 477 HG3 LYS 64 HG3 LYS 64 -14.478 -4.728 0.574 478 HD2 LYS 64 HD2 LYS 64 -15.687 -5.804 -1.908 479 HD3 LYS 64 HD3 LYS 64 -15.191 -7.058 -0.788 480 HE2 LYS 64 HE2 LYS 64 -16.719 -4.675 0.283 481 HE3 LYS 64 HE3 LYS 64 -17.599 -5.918 -0.585 482 HZ1 LYS 64 HZ1 LYS 64 -17.611 -6.653 1.623 483 HZ2 LYS 64 HZ2 LYS 64 -16.381 -7.522 1.005 484 H CYS 65 H CYS 65 -13.281 -3.561 -4.416 485 HA CYS 65 HA CYS 65 -11.344 -1.576 -4.914 486 HB2 CYS 65 HB2 CYS 65 -13.783 -1.716 -6.603 487 HB3 CYS 65 HB3 CYS 65 -12.097 -1.575 -7.061 488 H GLY 66 H GLY 66 -11.895 0.740 -5.488 489 HA2 GLY 66 HA2 GLY 66 -13.145 2.656 -5.285 490 HA3 GLY 66 HA3 GLY 66 -14.383 1.781 -4.406 491 H GLU 67 H GLU 67 -12.557 0.503 -2.461 492 HA GLU 67 HA GLU 67 -12.490 2.634 -0.624 493 HB2 GLU 67 HB2 GLU 67 -12.618 -0.128 -0.456 494 HB3 GLU 67 HB3 GLU 67 -10.976 0.178 0.072 495 HG2 GLU 67 HG2 GLU 67 -11.844 1.864 1.728 496 HG3 GLU 67 HG3 GLU 67 -13.481 1.497 1.222 497 HE2 GLU 67 HE2 GLU 67 -12.839 -0.557 4.106 498 H CYS 68 H CYS 68 -10.272 1.396 -2.997 499 HA CYS 68 HA CYS 68 -8.069 2.779 -1.649 500 HB2 CYS 68 HB2 CYS 68 -8.209 0.235 -3.065 501 HB3 CYS 68 HB3 CYS 68 -6.992 1.285 -3.763 502 H HIS 69 H HIS 69 -9.672 2.095 -4.837 503 HA HIS 69 HA HIS 69 -8.323 4.359 -6.006 504 HB2 HIS 69 HB2 HIS 69 -10.334 2.409 -7.166 505 HB3 HIS 69 HB3 HIS 69 -9.485 3.646 -8.072 506 HD1 HIS 69 HD1 HIS 69 -6.725 3.384 -8.013 507 HD2 HIS 69 HD2 HIS 69 -9.018 0.007 -7.047 508 HE1 HIS 69 HE1 HIS 69 -5.176 1.372 -8.265 509 H LYS 70 H LYS 70 -9.079 6.348 -5.443 510 HA LYS 70 HA LYS 70 -11.990 6.632 -5.219 511 HB2 LYS 70 HB2 LYS 70 -9.672 7.898 -3.822 512 HB3 LYS 70 HB3 LYS 70 -11.096 8.883 -4.091 513 HG2 LYS 70 HG2 LYS 70 -12.013 6.312 -3.190 514 HG3 LYS 70 HG3 LYS 70 -10.696 6.783 -2.135 515 HD2 LYS 70 HD2 LYS 70 -12.037 9.162 -2.265 516 HD3 LYS 70 HD3 LYS 70 -13.379 8.063 -2.515 517 HE2 LYS 70 HE2 LYS 70 -12.688 6.801 -0.436 518 HE3 LYS 70 HE3 LYS 70 -11.415 7.977 -0.174 519 HZ1 LYS 70 HZ1 LYS 70 -14.075 8.213 0.595 520 HZ2 LYS 70 HZ2 LYS 70 -12.917 9.348 0.747 521 H LYS 71 H LYS 71 -12.970 7.460 -6.977 522 HA LYS 71 HA LYS 71 -11.424 8.722 -9.010 523 HB2 LYS 71 HB2 LYS 71 -13.356 7.227 -9.452 524 HB3 LYS 71 HB3 LYS 71 -14.429 8.414 -8.738 525 HG2 LYS 71 HG2 LYS 71 -13.943 10.041 -10.456 526 HG3 LYS 71 HG3 LYS 71 -12.560 9.133 -11.033 527 HD2 LYS 71 HD2 LYS 71 -15.146 7.638 -11.057 528 HD3 LYS 71 HD3 LYS 71 -15.073 9.005 -12.152 529 HE2 LYS 71 HE2 LYS 71 -12.789 8.048 -12.945 530 HE3 LYS 71 HE3 LYS 71 -13.216 6.590 -12.073 531 HZ1 LYS 71 HZ1 LYS 71 -14.420 6.016 -13.863 532 HZ2 LYS 71 HZ2 LYS 71 -15.441 7.256 -13.595 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 7.195 12.368 6.192 2 HA ALA 1 HA ALA 1 4.988 13.619 5.807 3 HB1 ALA 1 HB1 ALA 1 5.786 14.320 3.522 4 HB2 ALA 1 HB2 ALA 1 5.640 12.623 3.006 5 HB3 ALA 1 HB3 ALA 1 4.194 13.524 3.520 6 H ASP 2 H ASP 2 3.352 11.845 4.136 7 HA ASP 2 HA ASP 2 4.024 9.193 4.825 8 HB2 ASP 2 HB2 ASP 2 1.419 9.765 6.068 9 HB3 ASP 2 HB3 ASP 2 2.767 8.838 6.698 10 HD2 ASP 2 HD2 ASP 2 3.725 10.243 8.737 11 H ASP 3 H ASP 3 1.502 11.656 4.021 12 HA ASP 3 HA ASP 3 -0.215 9.866 2.746 13 HB2 ASP 3 HB2 ASP 3 -0.136 12.689 1.774 14 HB3 ASP 3 HB3 ASP 3 -1.505 11.741 2.319 15 HD2 ASP 3 HD2 ASP 3 0.559 13.892 4.995 16 H ILE 4 H ILE 4 0.167 8.838 0.778 17 HA ILE 4 HA ILE 4 1.739 10.308 -1.211 18 HB ILE 4 HB ILE 4 2.083 7.424 -0.390 19 HG12 ILE 4 HG12 ILE 4 3.779 9.900 -0.107 20 HG13 ILE 4 HG13 ILE 4 3.283 8.761 1.128 21 HG21 ILE 4 HG21 ILE 4 3.351 6.994 -2.245 22 HG22 ILE 4 HG22 ILE 4 2.147 8.105 -2.941 23 HG23 ILE 4 HG23 ILE 4 3.764 8.706 -2.504 24 HD11 ILE 4 HD11 ILE 4 4.715 7.010 0.178 25 HD12 ILE 4 HD12 ILE 4 5.129 8.059 -1.199 26 HD13 ILE 4 HD13 ILE 4 5.683 8.481 0.439 27 H VAL 5 H VAL 5 0.765 10.424 -3.177 28 HA VAL 5 HA VAL 5 -1.691 8.873 -3.474 29 HB VAL 5 HB VAL 5 -0.613 11.315 -4.893 30 HG11 VAL 5 HG11 VAL 5 -2.603 11.414 -6.177 31 HG12 VAL 5 HG12 VAL 5 -2.028 9.735 -6.312 32 HG13 VAL 5 HG13 VAL 5 -3.379 10.129 -5.222 33 HG21 VAL 5 HG21 VAL 5 -2.675 10.884 -2.733 34 HG22 VAL 5 HG22 VAL 5 -1.314 12.030 -2.779 35 HG23 VAL 5 HG23 VAL 5 -2.744 12.305 -3.802 36 H LEU 6 H LEU 6 -1.670 7.054 -4.681 37 HA LEU 6 HA LEU 6 0.607 6.666 -6.462 38 HB2 LEU 6 HB2 LEU 6 -1.454 4.758 -5.351 39 HB3 LEU 6 HB3 LEU 6 -0.197 4.306 -6.485 40 HG LEU 6 HG LEU 6 0.420 5.536 -3.792 41 HD11 LEU 6 HD11 LEU 6 -0.300 3.679 -2.807 42 HD12 LEU 6 HD12 LEU 6 -0.601 2.881 -4.370 43 HD13 LEU 6 HD13 LEU 6 1.019 2.817 -3.635 44 HD21 LEU 6 HD21 LEU 6 2.619 4.452 -4.145 45 HD22 LEU 6 HD22 LEU 6 2.083 3.950 -5.766 46 HD23 LEU 6 HD23 LEU 6 2.235 5.680 -5.376 47 H LYS 7 H LYS 7 0.375 7.265 -8.543 48 HA LYS 7 HA LYS 7 -2.152 7.863 -9.633 49 HB2 LYS 7 HB2 LYS 7 -0.948 8.382 -11.636 50 HB3 LYS 7 HB3 LYS 7 -0.008 8.949 -10.271 51 HG2 LYS 7 HG2 LYS 7 0.811 6.247 -10.728 52 HG3 LYS 7 HG3 LYS 7 0.725 7.001 -12.307 53 HD2 LYS 7 HD2 LYS 7 2.745 7.941 -11.879 54 HD3 LYS 7 HD3 LYS 7 1.947 8.966 -10.702 55 HE2 LYS 7 HE2 LYS 7 2.277 7.119 -8.974 56 HE3 LYS 7 HE3 LYS 7 3.220 6.242 -10.162 57 HZ1 LYS 7 HZ1 LYS 7 4.975 7.559 -9.730 58 HZ2 LYS 7 HZ2 LYS 7 4.130 8.934 -9.950 59 H ALA 8 H ALA 8 -3.594 6.651 -10.791 60 HA ALA 8 HA ALA 8 -2.719 4.098 -11.850 61 HB1 ALA 8 HB1 ALA 8 -4.843 3.094 -10.687 62 HB2 ALA 8 HB2 ALA 8 -3.336 3.261 -9.753 63 HB3 ALA 8 HB3 ALA 8 -4.645 4.450 -9.551 64 H LYS 9 H LYS 9 -3.810 3.596 -13.733 65 HA LYS 9 HA LYS 9 -5.438 5.636 -14.838 66 HB2 LYS 9 HB2 LYS 9 -5.433 4.297 -16.816 67 HB3 LYS 9 HB3 LYS 9 -3.829 4.222 -16.115 68 HG2 LYS 9 HG2 LYS 9 -4.076 1.994 -15.417 69 HG3 LYS 9 HG3 LYS 9 -5.821 2.109 -15.296 70 HD2 LYS 9 HD2 LYS 9 -5.617 2.511 -17.956 71 HD3 LYS 9 HD3 LYS 9 -4.110 1.643 -17.734 72 HE2 LYS 9 HE2 LYS 9 -6.061 0.196 -16.234 73 HE3 LYS 9 HE3 LYS 9 -6.837 0.603 -17.752 74 HZ1 LYS 9 HZ1 LYS 9 -5.098 -1.449 -17.418 75 HZ2 LYS 9 HZ2 LYS 9 -5.475 -0.800 -18.864 76 H ASN 10 H ASN 10 -6.080 3.270 -12.532 77 HA ASN 10 HA ASN 10 -8.844 3.085 -13.438 78 HB2 ASN 10 HB2 ASN 10 -7.091 1.034 -12.683 79 HB3 ASN 10 HB3 ASN 10 -7.999 1.306 -11.208 80 HD21 ASN 10 HD21 ASN 10 -9.806 0.244 -10.984 81 HD22 ASN 10 HD22 ASN 10 -10.806 -0.411 -12.238 82 H GLY 11 H GLY 11 -7.410 5.312 -11.927 83 HA2 GLY 11 HA2 GLY 11 -8.498 6.738 -10.400 84 HA3 GLY 11 HA3 GLY 11 -9.176 5.349 -9.574 85 H ASP 12 H ASP 12 -7.022 7.775 -9.138 86 HA ASP 12 HA ASP 12 -4.675 6.611 -8.382 87 HB2 ASP 12 HB2 ASP 12 -4.247 8.636 -7.154 88 HB3 ASP 12 HB3 ASP 12 -5.234 9.091 -8.529 89 HD2 ASP 12 HD2 ASP 12 -7.173 9.909 -8.130 90 H VAL 13 H VAL 13 -3.855 6.184 -6.100 91 HA VAL 13 HA VAL 13 -6.036 5.323 -4.327 92 HB VAL 13 HB VAL 13 -3.380 3.971 -4.845 93 HG11 VAL 13 HG11 VAL 13 -4.289 3.853 -2.477 94 HG12 VAL 13 HG12 VAL 13 -5.672 2.952 -3.146 95 HG13 VAL 13 HG13 VAL 13 -4.025 2.291 -3.289 96 HG21 VAL 13 HG21 VAL 13 -6.206 3.138 -5.584 97 HG22 VAL 13 HG22 VAL 13 -4.925 3.656 -6.707 98 HG23 VAL 13 HG23 VAL 13 -4.746 2.141 -5.789 99 H LYS 14 H LYS 14 -5.959 6.116 -2.269 100 HA LYS 14 HA LYS 14 -3.707 7.852 -1.663 101 HB2 LYS 14 HB2 LYS 14 -6.153 8.564 -1.498 102 HB3 LYS 14 HB3 LYS 14 -6.271 7.525 -0.093 103 HG2 LYS 14 HG2 LYS 14 -4.274 9.815 -0.422 104 HG3 LYS 14 HG3 LYS 14 -5.746 9.890 0.527 105 HD2 LYS 14 HD2 LYS 14 -4.753 7.744 1.738 106 HD3 LYS 14 HD3 LYS 14 -3.229 8.290 1.066 107 HE2 LYS 14 HE2 LYS 14 -3.314 10.373 2.257 108 HE3 LYS 14 HE3 LYS 14 -5.023 10.203 2.608 109 HZ1 LYS 14 HZ1 LYS 14 -4.231 9.406 4.569 110 HZ2 LYS 14 HZ2 LYS 14 -4.029 7.998 3.775 111 H PHE 15 H PHE 15 -1.992 7.008 -0.618 112 HA PHE 15 HA PHE 15 -2.554 4.827 1.266 113 HB2 PHE 15 HB2 PHE 15 -1.167 4.232 -0.744 114 HB3 PHE 15 HB3 PHE 15 -0.104 5.590 -0.433 115 HD1 PHE 15 HD1 PHE 15 -1.450 2.785 1.648 116 HD2 PHE 15 HD2 PHE 15 1.963 4.922 0.309 117 HE1 PHE 15 HE1 PHE 15 0.022 1.311 3.048 118 HE2 PHE 15 HE2 PHE 15 3.435 3.448 1.709 119 HZ PHE 15 HZ PHE 15 2.447 1.660 3.062 120 HA PRO 16 HA PRO 16 -0.963 7.746 4.220 121 HB2 PRO 16 HB2 PRO 16 -1.845 6.433 6.437 122 HB3 PRO 16 HB3 PRO 16 -2.978 7.236 5.302 123 HG2 PRO 16 HG2 PRO 16 -2.577 4.111 5.474 124 HG3 PRO 16 HG3 PRO 16 -3.766 5.430 5.221 125 HD2 PRO 16 HD2 PRO 16 -2.083 3.978 3.255 126 HD3 PRO 16 HD3 PRO 16 -3.433 5.112 2.952 127 H HIS 17 H HIS 17 1.340 7.397 3.814 128 HA HIS 17 HA HIS 17 2.516 4.975 4.759 129 HB2 HIS 17 HB2 HIS 17 3.341 6.191 2.776 130 HB3 HIS 17 HB3 HIS 17 3.780 7.553 3.787 131 HD1 HIS 17 HD1 HIS 17 5.709 7.044 5.650 132 HD2 HIS 17 HD2 HIS 17 5.265 4.225 2.576 133 HE1 HIS 17 HE1 HIS 17 7.847 5.651 5.643 134 H LYS 18 H LYS 18 1.130 5.810 6.903 135 HA LYS 18 HA LYS 18 3.263 6.649 8.697 136 HB2 LYS 18 HB2 LYS 18 2.402 8.748 8.636 137 HB3 LYS 18 HB3 LYS 18 0.829 8.220 8.075 138 HG2 LYS 18 HG2 LYS 18 0.058 7.726 10.244 139 HG3 LYS 18 HG3 LYS 18 1.672 7.466 10.876 140 HD2 LYS 18 HD2 LYS 18 1.628 10.173 9.984 141 HD3 LYS 18 HD3 LYS 18 0.102 9.926 10.808 142 HE2 LYS 18 HE2 LYS 18 1.295 10.326 12.718 143 HE3 LYS 18 HE3 LYS 18 1.829 8.665 12.553 144 HZ1 LYS 18 HZ1 LYS 18 3.394 10.990 12.347 145 HZ2 LYS 18 HZ2 LYS 18 3.898 9.444 12.255 146 H ALA 19 H ALA 19 -0.317 6.012 8.801 147 HA ALA 19 HA ALA 19 -0.271 4.662 11.202 148 HB1 ALA 19 HB1 ALA 19 -2.370 3.517 9.870 149 HB2 ALA 19 HB2 ALA 19 -2.421 5.129 10.622 150 HB3 ALA 19 HB3 ALA 19 -2.093 4.970 8.880 151 H HIS 20 H HIS 20 0.780 3.662 7.996 152 HA HIS 20 HA HIS 20 0.606 0.875 8.552 153 HB2 HIS 20 HB2 HIS 20 1.777 2.561 6.354 154 HB3 HIS 20 HB3 HIS 20 2.172 0.856 6.454 155 HD1 HIS 20 HD1 HIS 20 -0.708 3.203 5.779 156 HD2 HIS 20 HD2 HIS 20 0.089 -0.916 5.765 157 HE1 HIS 20 HE1 HIS 20 -2.698 2.093 4.629 158 H GLN 21 H GLN 21 2.462 3.272 9.903 159 HA GLN 21 HA GLN 21 4.893 1.713 9.924 160 HB2 GLN 21 HB2 GLN 21 4.219 4.473 11.030 161 HB3 GLN 21 HB3 GLN 21 5.789 3.714 11.212 162 HG2 GLN 21 HG2 GLN 21 5.982 3.538 8.715 163 HG3 GLN 21 HG3 GLN 21 4.425 4.325 8.546 164 HE21 GLN 21 HE21 GLN 21 4.939 6.194 7.628 165 HE22 GLN 21 HE22 GLN 21 6.005 7.395 8.279 166 H LYS 22 H LYS 22 2.511 3.174 12.245 167 HA LYS 22 HA LYS 22 3.647 1.915 14.498 168 HB2 LYS 22 HB2 LYS 22 1.000 3.271 13.960 169 HB3 LYS 22 HB3 LYS 22 1.376 2.553 15.514 170 HG2 LYS 22 HG2 LYS 22 3.508 4.318 14.386 171 HG3 LYS 22 HG3 LYS 22 2.017 5.134 14.813 172 HD2 LYS 22 HD2 LYS 22 2.560 3.341 16.965 173 HD3 LYS 22 HD3 LYS 22 4.096 4.084 16.567 174 HE2 LYS 22 HE2 LYS 22 2.379 6.268 16.473 175 HE3 LYS 22 HE3 LYS 22 1.658 5.307 17.749 176 HZ1 LYS 22 HZ1 LYS 22 3.647 6.943 18.245 177 HZ2 LYS 22 HZ2 LYS 22 3.519 5.542 19.065 178 H ALA 23 H ALA 23 1.434 0.895 11.951 179 HA ALA 23 HA ALA 23 0.454 -1.345 13.478 180 HB1 ALA 23 HB1 ALA 23 -1.181 -0.677 12.012 181 HB2 ALA 23 HB2 ALA 23 -0.013 -0.098 10.801 182 HB3 ALA 23 HB3 ALA 23 -0.348 -1.839 10.953 183 H VAL 24 H VAL 24 3.072 -0.555 11.226 184 HA VAL 24 HA VAL 24 4.049 -3.283 11.569 185 HB VAL 24 HB VAL 24 3.838 -1.841 8.918 186 HG11 VAL 24 HG11 VAL 24 5.662 -3.854 9.807 187 HG12 VAL 24 HG12 VAL 24 4.542 -4.594 8.639 188 HG13 VAL 24 HG13 VAL 24 5.482 -3.153 8.181 189 HG21 VAL 24 HG21 VAL 24 2.325 -4.173 10.108 190 HG22 VAL 24 HG22 VAL 24 1.684 -2.676 9.390 191 HG23 VAL 24 HG23 VAL 24 2.433 -3.912 8.351 192 HA PRO 25 HA PRO 25 6.801 0.348 12.824 193 HB2 PRO 25 HB2 PRO 25 7.546 -2.080 14.518 194 HB3 PRO 25 HB3 PRO 25 7.566 -0.333 14.923 195 HG2 PRO 25 HG2 PRO 25 5.181 -1.746 15.719 196 HG3 PRO 25 HG3 PRO 25 5.551 -0.177 14.930 197 HD2 PRO 25 HD2 PRO 25 4.683 -2.838 13.648 198 HD3 PRO 25 HD3 PRO 25 3.890 -1.240 13.507 199 H ASP 26 H ASP 26 7.197 -3.050 11.735 200 HA ASP 26 HA ASP 26 9.982 -2.725 11.326 201 HB2 ASP 26 HB2 ASP 26 8.930 -4.940 11.755 202 HB3 ASP 26 HB3 ASP 26 7.998 -4.799 10.278 203 HD2 ASP 26 HD2 ASP 26 10.937 -5.980 11.467 204 H CYS 27 H CYS 27 10.776 -1.476 9.628 205 HA CYS 27 HA CYS 27 9.040 -0.861 7.425 206 HB2 CYS 27 HB2 CYS 27 11.917 -0.036 7.558 207 HB3 CYS 27 HB3 CYS 27 10.550 0.799 6.848 208 H LYS 28 H LYS 28 11.340 -3.277 8.319 209 HA LYS 28 HA LYS 28 12.371 -3.750 5.692 210 HB2 LYS 28 HB2 LYS 28 12.521 -5.307 8.287 211 HB3 LYS 28 HB3 LYS 28 13.300 -5.816 6.802 212 HG2 LYS 28 HG2 LYS 28 14.108 -3.166 6.967 213 HG3 LYS 28 HG3 LYS 28 14.029 -3.612 8.660 214 HD2 LYS 28 HD2 LYS 28 15.442 -5.381 6.626 215 HD3 LYS 28 HD3 LYS 28 16.267 -4.037 7.390 216 HE2 LYS 28 HE2 LYS 28 15.076 -5.316 9.568 217 HE3 LYS 28 HE3 LYS 28 15.495 -6.663 8.529 218 HZ1 LYS 28 HZ1 LYS 28 17.625 -6.395 9.136 219 HZ2 LYS 28 HZ2 LYS 28 17.663 -4.869 8.569 220 H LYS 29 H LYS 29 9.331 -4.105 7.031 221 HA LYS 29 HA LYS 29 8.671 -6.707 6.150 222 HB2 LYS 29 HB2 LYS 29 7.285 -4.359 7.289 223 HB3 LYS 29 HB3 LYS 29 6.294 -5.350 6.238 224 HG2 LYS 29 HG2 LYS 29 8.008 -6.563 8.447 225 HG3 LYS 29 HG3 LYS 29 6.375 -6.002 8.746 226 HD2 LYS 29 HD2 LYS 29 6.457 -7.672 6.342 227 HD3 LYS 29 HD3 LYS 29 7.155 -8.526 7.703 228 HE2 LYS 29 HE2 LYS 29 4.861 -7.284 8.784 229 HE3 LYS 29 HE3 LYS 29 4.345 -7.816 7.197 230 HZ1 LYS 29 HZ1 LYS 29 5.897 -9.813 8.557 231 HZ2 LYS 29 HZ2 LYS 29 4.557 -9.417 9.394 232 H CYS 30 H CYS 30 8.159 -3.399 4.749 233 HA CYS 30 HA CYS 30 7.404 -4.685 2.255 234 HB2 CYS 30 HB2 CYS 30 7.382 -1.712 2.809 235 HB3 CYS 30 HB3 CYS 30 6.508 -2.594 1.572 236 H HIS 31 H HIS 31 9.631 -2.118 3.564 237 HA HIS 31 HA HIS 31 11.120 -1.979 1.170 238 HB2 HIS 31 HB2 HIS 31 11.761 -1.040 3.980 239 HB3 HIS 31 HB3 HIS 31 12.692 -0.632 2.552 240 HD1 HIS 31 HD1 HIS 31 10.968 0.476 0.533 241 HD2 HIS 31 HD2 HIS 31 9.969 0.914 4.583 242 HE1 HIS 31 HE1 HIS 31 9.352 2.446 0.661 243 H GLU 32 H GLU 32 12.447 -3.532 0.389 244 HA GLU 32 HA GLU 32 13.584 -5.363 2.332 245 HB2 GLU 32 HB2 GLU 32 12.365 -5.740 -0.196 246 HB3 GLU 32 HB3 GLU 32 14.067 -6.058 -0.467 247 HG2 GLU 32 HG2 GLU 32 14.028 -7.986 0.764 248 HG3 GLU 32 HG3 GLU 32 13.084 -7.258 2.049 249 HE2 GLU 32 HE2 GLU 32 12.960 -9.130 -0.707 250 H LYS 33 H LYS 33 14.448 -3.309 -0.524 251 HA LYS 33 HA LYS 33 17.263 -3.689 0.092 252 HB2 LYS 33 HB2 LYS 33 15.844 -2.317 -2.209 253 HB3 LYS 33 HB3 LYS 33 17.585 -2.399 -2.030 254 HG2 LYS 33 HG2 LYS 33 16.744 -5.064 -1.653 255 HG3 LYS 33 HG3 LYS 33 15.705 -4.475 -2.935 256 HD2 LYS 33 HD2 LYS 33 18.213 -3.466 -3.661 257 HD3 LYS 33 HD3 LYS 33 18.610 -5.030 -2.978 258 HE2 LYS 33 HE2 LYS 33 17.903 -6.044 -4.878 259 HE3 LYS 33 HE3 LYS 33 16.287 -5.422 -4.614 260 HZ1 LYS 33 HZ1 LYS 33 17.222 -4.665 -6.741 261 HZ2 LYS 33 HZ2 LYS 33 16.928 -3.385 -5.778 262 H GLY 34 H GLY 34 15.476 -2.313 2.008 263 HA2 GLY 34 HA2 GLY 34 16.105 -0.614 3.463 264 HA3 GLY 34 HA3 GLY 34 17.012 0.171 2.186 265 HA PRO 35 HA PRO 35 12.743 2.127 2.846 266 HB2 PRO 35 HB2 PRO 35 14.337 4.468 3.773 267 HB3 PRO 35 HB3 PRO 35 12.967 3.612 4.553 268 HG2 PRO 35 HG2 PRO 35 15.558 3.239 5.680 269 HG3 PRO 35 HG3 PRO 35 14.112 2.197 5.478 270 HD2 PRO 35 HD2 PRO 35 16.567 2.459 3.633 271 HD3 PRO 35 HD3 PRO 35 15.995 0.990 4.480 272 H GLY 36 H GLY 36 11.862 3.369 1.145 273 HA2 GLY 36 HA2 GLY 36 12.610 5.452 -0.198 274 HA3 GLY 36 HA3 GLY 36 13.819 4.346 -0.819 275 H LYS 37 H LYS 37 12.770 4.780 -2.956 276 HA LYS 37 HA LYS 37 10.103 3.951 -3.392 277 HB2 LYS 37 HB2 LYS 37 12.421 4.798 -5.088 278 HB3 LYS 37 HB3 LYS 37 11.085 3.970 -5.861 279 HG2 LYS 37 HG2 LYS 37 10.034 5.985 -5.927 280 HG3 LYS 37 HG3 LYS 37 9.779 5.803 -4.203 281 HD2 LYS 37 HD2 LYS 37 11.098 7.606 -3.831 282 HD3 LYS 37 HD3 LYS 37 12.463 6.733 -4.500 283 HE2 LYS 37 HE2 LYS 37 11.245 7.455 -6.828 284 HE3 LYS 37 HE3 LYS 37 10.676 8.762 -5.809 285 HZ1 LYS 37 HZ1 LYS 37 12.702 9.688 -5.941 286 HZ2 LYS 37 HZ2 LYS 37 13.430 8.366 -5.330 287 H ILE 38 H ILE 38 9.360 2.078 -4.607 288 HA ILE 38 HA ILE 38 11.167 -0.202 -4.210 289 HB ILE 38 HB ILE 38 8.150 -0.078 -4.211 290 HG12 ILE 38 HG12 ILE 38 10.018 -0.725 -1.918 291 HG13 ILE 38 HG13 ILE 38 9.371 0.877 -2.207 292 HG21 ILE 38 HG21 ILE 38 9.748 -2.503 -3.450 293 HG22 ILE 38 HG22 ILE 38 8.053 -2.372 -3.978 294 HG23 ILE 38 HG23 ILE 38 9.370 -2.179 -5.159 295 HD11 ILE 38 HD11 ILE 38 7.121 -0.822 -2.379 296 HD12 ILE 38 HD12 ILE 38 8.068 -1.447 -1.008 297 HD13 ILE 38 HD13 ILE 38 7.542 0.253 -1.025 298 H GLU 39 H GLU 39 12.027 -1.041 -6.026 299 HA GLU 39 HA GLU 39 10.914 -0.221 -8.529 300 HB2 GLU 39 HB2 GLU 39 13.426 -1.583 -7.604 301 HB3 GLU 39 HB3 GLU 39 12.927 -1.871 -9.259 302 HG2 GLU 39 HG2 GLU 39 12.608 0.937 -8.805 303 HG3 GLU 39 HG3 GLU 39 14.159 0.503 -8.115 304 HE2 GLU 39 HE2 GLU 39 12.544 0.470 -11.371 305 H GLY 40 H GLY 40 9.601 -1.431 -9.857 306 HA2 GLY 40 HA2 GLY 40 9.061 -3.563 -10.805 307 HA3 GLY 40 HA3 GLY 40 9.339 -4.309 -9.244 308 H PHE 41 H PHE 41 7.992 -2.394 -7.552 309 HA PHE 41 HA PHE 41 5.567 -3.332 -7.235 310 HB2 PHE 41 HB2 PHE 41 6.709 -1.446 -5.972 311 HB3 PHE 41 HB3 PHE 41 6.360 -0.358 -7.301 312 HD1 PHE 41 HD1 PHE 41 4.811 -2.366 -4.615 313 HD2 PHE 41 HD2 PHE 41 4.246 0.699 -7.495 314 HE1 PHE 41 HE1 PHE 41 2.614 -1.775 -3.555 315 HE2 PHE 41 HE2 PHE 41 2.049 1.290 -6.436 316 HZ PHE 41 HZ PHE 41 1.259 0.046 -4.478 317 H GLY 42 H GLY 42 3.377 -2.904 -7.901 318 HA2 GLY 42 HA2 GLY 42 2.617 -1.091 -9.871 319 HA3 GLY 42 HA3 GLY 42 3.061 -2.575 -10.691 320 H LYS 43 H LYS 43 0.711 -2.619 -11.303 321 HA LYS 43 HA LYS 43 -1.351 -2.783 -9.497 322 HB2 LYS 43 HB2 LYS 43 -1.450 -2.599 -12.021 323 HB3 LYS 43 HB3 LYS 43 -1.165 -4.326 -12.096 324 HG2 LYS 43 HG2 LYS 43 -3.210 -4.157 -10.211 325 HG3 LYS 43 HG3 LYS 43 -3.616 -2.853 -11.308 326 HD2 LYS 43 HD2 LYS 43 -2.920 -4.922 -13.056 327 HD3 LYS 43 HD3 LYS 43 -3.712 -5.779 -11.749 328 HE2 LYS 43 HE2 LYS 43 -5.508 -3.787 -11.998 329 HE3 LYS 43 HE3 LYS 43 -4.846 -3.700 -13.618 330 HZ1 LYS 43 HZ1 LYS 43 -5.939 -6.171 -12.381 331 HZ2 LYS 43 HZ2 LYS 43 -6.709 -5.266 -13.494 332 H GLU 44 H GLU 44 -0.100 -5.725 -11.201 333 HA GLU 44 HA GLU 44 -1.123 -7.593 -9.679 334 HB2 GLU 44 HB2 GLU 44 1.639 -7.405 -10.907 335 HB3 GLU 44 HB3 GLU 44 1.171 -8.849 -10.031 336 HG2 GLU 44 HG2 GLU 44 0.689 -8.531 -12.679 337 HG3 GLU 44 HG3 GLU 44 -0.331 -9.515 -11.648 338 HE2 GLU 44 HE2 GLU 44 -0.351 -6.896 -13.679 339 H MET 45 H MET 45 1.658 -5.519 -8.762 340 HA MET 45 HA MET 45 2.248 -6.976 -6.430 341 HB2 MET 45 HB2 MET 45 3.388 -4.879 -7.927 342 HB3 MET 45 HB3 MET 45 2.923 -4.077 -6.439 343 HG2 MET 45 HG2 MET 45 4.476 -6.700 -6.420 344 HG3 MET 45 HG3 MET 45 5.289 -5.152 -6.524 345 HE1 MET 45 HE1 MET 45 5.810 -7.215 -4.237 346 HE2 MET 45 HE2 MET 45 6.600 -5.620 -4.275 347 HE3 MET 45 HE3 MET 45 5.808 -6.186 -2.785 348 H ALA 46 H ALA 46 0.562 -3.805 -7.011 349 HA ALA 46 HA ALA 46 -0.066 -3.221 -4.409 350 HB1 ALA 46 HB1 ALA 46 -0.446 -2.002 -6.747 351 HB2 ALA 46 HB2 ALA 46 -2.075 -2.702 -6.582 352 HB3 ALA 46 HB3 ALA 46 -1.446 -1.606 -5.328 353 H HIS 47 H HIS 47 -2.022 -5.122 -6.811 354 HA HIS 47 HA HIS 47 -3.962 -5.780 -4.853 355 HB2 HIS 47 HB2 HIS 47 -3.434 -7.009 -7.573 356 HB3 HIS 47 HB3 HIS 47 -4.875 -7.243 -6.604 357 HD1 HIS 47 HD1 HIS 47 -4.805 -5.936 -9.512 358 HD2 HIS 47 HD2 HIS 47 -5.043 -3.857 -5.876 359 HE1 HIS 47 HE1 HIS 47 -5.852 -3.672 -10.050 360 H GLY 48 H GLY 48 -0.971 -7.264 -6.124 361 HA2 GLY 48 HA2 GLY 48 -1.380 -9.837 -5.001 362 HA3 GLY 48 HA3 GLY 48 0.130 -9.147 -5.562 363 H LYS 49 H LYS 49 1.551 -9.569 -3.890 364 HA LYS 49 HA LYS 49 0.671 -9.127 -1.171 365 HB2 LYS 49 HB2 LYS 49 2.041 -11.114 -1.908 366 HB3 LYS 49 HB3 LYS 49 3.385 -10.022 -2.178 367 HG2 LYS 49 HG2 LYS 49 2.842 -9.221 0.311 368 HG3 LYS 49 HG3 LYS 49 2.053 -10.781 0.431 369 HD2 LYS 49 HD2 LYS 49 4.768 -10.849 -0.806 370 HD3 LYS 49 HD3 LYS 49 4.741 -10.357 0.876 371 HE2 LYS 49 HE2 LYS 49 4.533 -12.533 1.478 372 HE3 LYS 49 HE3 LYS 49 2.958 -12.572 0.711 373 HZ1 LYS 49 HZ1 LYS 49 5.522 -13.091 -0.699 374 HZ2 LYS 49 HZ2 LYS 49 4.466 -14.240 -0.235 375 H GLY 50 H GLY 50 0.543 -6.782 -2.756 376 HA2 GLY 50 HA2 GLY 50 2.898 -5.251 -1.842 377 HA3 GLY 50 HA3 GLY 50 1.862 -4.832 -3.192 378 H CYS 51 H CYS 51 -0.715 -5.060 -2.254 379 HA CYS 51 HA CYS 51 -0.717 -3.335 0.114 380 HB2 CYS 51 HB2 CYS 51 -2.466 -3.071 -2.341 381 HB3 CYS 51 HB3 CYS 51 -2.667 -2.160 -0.857 382 H LYS 52 H LYS 52 -3.459 -4.557 -1.870 383 HA LYS 52 HA LYS 52 -5.017 -5.415 0.150 384 HB2 LYS 52 HB2 LYS 52 -4.701 -6.386 -2.687 385 HB3 LYS 52 HB3 LYS 52 -5.882 -7.115 -1.617 386 HG2 LYS 52 HG2 LYS 52 -6.307 -4.394 -1.186 387 HG3 LYS 52 HG3 LYS 52 -5.890 -4.434 -2.887 388 HD2 LYS 52 HD2 LYS 52 -7.951 -6.336 -1.697 389 HD3 LYS 52 HD3 LYS 52 -8.392 -4.739 -2.268 390 HE2 LYS 52 HE2 LYS 52 -8.540 -5.578 -4.371 391 HE3 LYS 52 HE3 LYS 52 -6.809 -5.849 -4.351 392 HZ1 LYS 52 HZ1 LYS 52 -7.098 -8.060 -3.769 393 HZ2 LYS 52 HZ2 LYS 52 -8.540 -7.835 -3.046 394 H GLY 53 H GLY 53 -2.527 -7.405 -1.583 395 HA2 GLY 53 HA2 GLY 53 -2.685 -9.825 -0.598 396 HA3 GLY 53 HA3 GLY 53 -1.153 -8.975 -0.620 397 H CYS 54 H CYS 54 -0.945 -7.294 1.360 398 HA CYS 54 HA CYS 54 -0.815 -8.844 3.644 399 HB2 CYS 54 HB2 CYS 54 0.548 -6.801 3.171 400 HB3 CYS 54 HB3 CYS 54 -0.862 -5.813 3.496 401 H HIS 55 H HIS 55 -3.156 -6.260 2.621 402 HA HIS 55 HA HIS 55 -4.723 -6.153 4.820 403 HB2 HIS 55 HB2 HIS 55 -5.472 -6.002 1.892 404 HB3 HIS 55 HB3 HIS 55 -6.597 -5.630 3.183 405 HD1 HIS 55 HD1 HIS 55 -6.278 -3.279 1.555 406 HD2 HIS 55 HD2 HIS 55 -3.378 -4.220 4.436 407 HE1 HIS 55 HE1 HIS 55 -5.020 -1.112 2.038 408 H GLU 56 H GLU 56 -5.611 -8.190 1.940 409 HA GLU 56 HA GLU 56 -7.508 -9.637 3.268 410 HB2 GLU 56 HB2 GLU 56 -6.811 -11.427 1.401 411 HB3 GLU 56 HB3 GLU 56 -7.644 -9.943 0.984 412 HG2 GLU 56 HG2 GLU 56 -5.795 -9.024 -0.041 413 HG3 GLU 56 HG3 GLU 56 -4.678 -9.691 1.133 414 HE2 GLU 56 HE2 GLU 56 -3.997 -11.324 -1.913 415 H GLU 57 H GLU 57 -4.038 -9.764 3.536 416 HA GLU 57 HA GLU 57 -3.703 -12.428 4.180 417 HB2 GLU 57 HB2 GLU 57 -2.057 -10.248 3.898 418 HB3 GLU 57 HB3 GLU 57 -2.009 -10.453 5.637 419 HG2 GLU 57 HG2 GLU 57 -0.213 -11.759 4.488 420 HG3 GLU 57 HG3 GLU 57 -1.293 -12.791 5.406 421 HE2 GLU 57 HE2 GLU 57 -2.270 -14.472 4.086 422 H MET 58 H MET 58 -4.255 -9.541 6.318 423 HA MET 58 HA MET 58 -4.774 -11.402 8.486 424 HB2 MET 58 HB2 MET 58 -4.414 -8.352 8.452 425 HB3 MET 58 HB3 MET 58 -4.606 -9.313 9.905 426 HG2 MET 58 HG2 MET 58 -2.475 -10.442 8.261 427 HG3 MET 58 HG3 MET 58 -2.178 -8.734 8.517 428 HE1 MET 58 HE1 MET 58 -1.781 -8.271 12.226 429 HE2 MET 58 HE2 MET 58 -0.868 -7.961 10.729 430 HE3 MET 58 HE3 MET 58 -2.612 -7.611 10.797 431 H LYS 59 H LYS 59 -6.499 -10.096 6.021 432 HA LYS 59 HA LYS 59 -8.668 -9.841 5.672 433 HB2 LYS 59 HB2 LYS 59 -8.627 -11.240 8.241 434 HB3 LYS 59 HB3 LYS 59 -10.037 -10.215 8.066 435 HG2 LYS 59 HG2 LYS 59 -9.113 -12.227 5.961 436 HG3 LYS 59 HG3 LYS 59 -10.351 -12.557 7.156 437 HD2 LYS 59 HD2 LYS 59 -10.873 -10.026 5.756 438 HD3 LYS 59 HD3 LYS 59 -10.726 -11.357 4.625 439 HE2 LYS 59 HE2 LYS 59 -12.318 -12.625 6.339 440 HE3 LYS 59 HE3 LYS 59 -12.714 -11.008 6.885 441 HZ1 LYS 59 HZ1 LYS 59 -12.763 -11.395 4.000 442 HZ2 LYS 59 HZ2 LYS 59 -13.934 -12.172 4.823 443 H LYS 60 H LYS 60 -6.683 -7.910 7.381 444 HA LYS 60 HA LYS 60 -8.763 -5.971 8.071 445 HB2 LYS 60 HB2 LYS 60 -5.818 -5.935 8.788 446 HB3 LYS 60 HB3 LYS 60 -7.065 -4.866 9.399 447 HG2 LYS 60 HG2 LYS 60 -8.183 -7.306 9.998 448 HG3 LYS 60 HG3 LYS 60 -6.482 -7.709 10.116 449 HD2 LYS 60 HD2 LYS 60 -6.743 -5.201 11.429 450 HD3 LYS 60 HD3 LYS 60 -8.133 -6.134 11.946 451 HE2 LYS 60 HE2 LYS 60 -6.850 -7.681 13.091 452 HE3 LYS 60 HE3 LYS 60 -5.550 -7.636 11.917 453 HZ1 LYS 60 HZ1 LYS 60 -4.488 -6.333 13.393 454 HZ2 LYS 60 HZ2 LYS 60 -5.538 -5.134 13.059 455 H GLY 61 H GLY 61 -8.481 -3.714 7.373 456 HA2 GLY 61 HA2 GLY 61 -7.700 -2.084 5.959 457 HA3 GLY 61 HA3 GLY 61 -6.632 -3.237 5.184 458 HA PRO 62 HA PRO 62 -10.659 -2.383 2.746 459 HB2 PRO 62 HB2 PRO 62 -9.568 -0.720 0.827 460 HB3 PRO 62 HB3 PRO 62 -10.250 -0.130 2.378 461 HG2 PRO 62 HG2 PRO 62 -7.494 -0.791 1.626 462 HG3 PRO 62 HG3 PRO 62 -7.921 0.753 2.433 463 HD2 PRO 62 HD2 PRO 62 -6.911 -1.238 3.904 464 HD3 PRO 62 HD3 PRO 62 -8.377 -0.408 4.508 465 H THR 63 H THR 63 -11.002 -4.168 1.427 466 HA THR 63 HA THR 63 -8.747 -4.940 -0.307 467 HB THR 63 HB THR 63 -9.435 -7.287 0.107 468 HG1 THR 63 HG1 THR 63 -11.318 -7.603 1.393 469 HG21 THR 63 HG21 THR 63 -9.377 -7.220 2.769 470 HG22 THR 63 HG22 THR 63 -7.920 -6.767 1.852 471 HG23 THR 63 HG23 THR 63 -8.981 -5.503 2.520 472 H LYS 64 H LYS 64 -11.906 -3.714 -0.117 473 HA LYS 64 HA LYS 64 -12.709 -4.962 -2.620 474 HB2 LYS 64 HB2 LYS 64 -14.272 -2.994 -0.934 475 HB3 LYS 64 HB3 LYS 64 -14.880 -4.059 -2.186 476 HG2 LYS 64 HG2 LYS 64 -15.427 -5.286 -0.272 477 HG3 LYS 64 HG3 LYS 64 -13.873 -5.989 -0.674 478 HD2 LYS 64 HD2 LYS 64 -12.885 -5.175 1.217 479 HD3 LYS 64 HD3 LYS 64 -13.584 -3.583 1.004 480 HE2 LYS 64 HE2 LYS 64 -15.271 -4.012 2.477 481 HE3 LYS 64 HE3 LYS 64 -15.643 -5.552 1.728 482 HZ1 LYS 64 HZ1 LYS 64 -13.495 -5.062 3.720 483 HZ2 LYS 64 HZ2 LYS 64 -14.843 -5.946 3.950 484 H CYS 65 H CYS 65 -13.446 -3.591 -4.441 485 HA CYS 65 HA CYS 65 -11.497 -1.621 -4.983 486 HB2 CYS 65 HB2 CYS 65 -13.939 -1.792 -6.666 487 HB3 CYS 65 HB3 CYS 65 -12.253 -1.661 -7.128 488 H GLY 66 H GLY 66 -12.052 0.684 -5.592 489 HA2 GLY 66 HA2 GLY 66 -13.313 2.598 -5.424 490 HA3 GLY 66 HA3 GLY 66 -14.540 1.737 -4.516 491 H GLU 67 H GLU 67 -12.651 0.503 -2.580 492 HA GLU 67 HA GLU 67 -12.585 2.676 -0.782 493 HB2 GLU 67 HB2 GLU 67 -12.703 -0.087 -0.558 494 HB3 GLU 67 HB3 GLU 67 -11.063 0.244 -0.035 495 HG2 GLU 67 HG2 GLU 67 -11.941 1.954 1.586 496 HG3 GLU 67 HG3 GLU 67 -13.576 1.580 1.079 497 HE2 GLU 67 HE2 GLU 67 -13.559 -1.627 2.342 498 H CYS 68 H CYS 68 -10.389 1.377 -3.145 499 HA CYS 68 HA CYS 68 -8.172 2.787 -1.852 500 HB2 CYS 68 HB2 CYS 68 -8.330 0.209 -3.191 501 HB3 CYS 68 HB3 CYS 68 -7.137 1.237 -3.957 502 H HIS 69 H HIS 69 -9.844 2.058 -4.991 503 HA HIS 69 HA HIS 69 -8.494 4.293 -6.226 504 HB2 HIS 69 HB2 HIS 69 -10.509 2.315 -7.330 505 HB3 HIS 69 HB3 HIS 69 -9.671 3.536 -8.266 506 HD1 HIS 69 HD1 HIS 69 -6.905 3.284 -8.208 507 HD2 HIS 69 HD2 HIS 69 -9.191 -0.083 -7.194 508 HE1 HIS 69 HE1 HIS 69 -5.354 1.272 -8.439 509 H LYS 70 H LYS 70 -9.255 6.313 -5.849 510 HA LYS 70 HA LYS 70 -12.168 6.638 -5.893 511 HB2 LYS 70 HB2 LYS 70 -10.215 7.735 -3.862 512 HB3 LYS 70 HB3 LYS 70 -11.788 8.458 -4.133 513 HG2 LYS 70 HG2 LYS 70 -12.293 5.672 -3.926 514 HG3 LYS 70 HG3 LYS 70 -11.106 6.007 -2.681 515 HD2 LYS 70 HD2 LYS 70 -13.399 7.939 -2.938 516 HD3 LYS 70 HD3 LYS 70 -13.764 6.354 -2.286 517 HE2 LYS 70 HE2 LYS 70 -12.162 6.626 -0.479 518 HE3 LYS 70 HE3 LYS 70 -11.469 8.056 -1.219 519 HZ1 LYS 70 HZ1 LYS 70 -14.044 7.801 0.170 520 HZ2 LYS 70 HZ2 LYS 70 -12.924 8.975 0.307 521 H LYS 71 H LYS 71 -12.715 7.882 -7.593 522 HA LYS 71 HA LYS 71 -10.925 9.137 -9.235 523 HB2 LYS 71 HB2 LYS 71 -13.257 8.569 -9.807 524 HB3 LYS 71 HB3 LYS 71 -13.836 9.847 -8.757 525 HG2 LYS 71 HG2 LYS 71 -12.113 11.318 -10.240 526 HG3 LYS 71 HG3 LYS 71 -12.431 10.054 -11.411 527 HD2 LYS 71 HD2 LYS 71 -14.810 10.500 -11.396 528 HD3 LYS 71 HD3 LYS 71 -14.687 11.507 -9.967 529 HE2 LYS 71 HE2 LYS 71 -13.109 13.024 -11.398 530 HE3 LYS 71 HE3 LYS 71 -13.713 12.134 -12.781 531 HZ1 LYS 71 HZ1 LYS 71 -15.241 13.845 -12.626 532 HZ2 LYS 71 HZ2 LYS 71 -16.020 12.740 -11.719 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 3.133 14.260 3.449 2 HA ALA 1 HA ALA 1 5.796 13.368 2.580 3 HB1 ALA 1 HB1 ALA 1 4.731 14.078 5.315 4 HB2 ALA 1 HB2 ALA 1 6.031 12.874 5.144 5 HB3 ALA 1 HB3 ALA 1 6.273 14.535 4.552 6 H ASP 2 H ASP 2 4.366 11.892 5.379 7 HA ASP 2 HA ASP 2 4.444 9.397 4.541 8 HB2 ASP 2 HB2 ASP 2 1.922 10.084 6.008 9 HB3 ASP 2 HB3 ASP 2 3.126 8.869 6.385 10 HD2 ASP 2 HD2 ASP 2 4.721 9.581 8.000 11 H ASP 3 H ASP 3 2.048 11.883 3.665 12 HA ASP 3 HA ASP 3 0.164 10.068 2.610 13 HB2 ASP 3 HB2 ASP 3 0.216 12.827 1.502 14 HB3 ASP 3 HB3 ASP 3 -1.110 11.951 2.240 15 HD2 ASP 3 HD2 ASP 3 1.311 14.184 2.748 16 H ILE 4 H ILE 4 0.471 8.945 0.682 17 HA ILE 4 HA ILE 4 1.986 10.312 -1.425 18 HB ILE 4 HB ILE 4 2.221 7.405 -0.638 19 HG12 ILE 4 HG12 ILE 4 4.052 9.776 -0.228 20 HG13 ILE 4 HG13 ILE 4 3.387 8.700 0.984 21 HG21 ILE 4 HG21 ILE 4 4.261 8.247 -2.435 22 HG22 ILE 4 HG22 ILE 4 2.999 7.016 -2.675 23 HG23 ILE 4 HG23 ILE 4 2.690 8.708 -3.131 24 HD11 ILE 4 HD11 ILE 4 5.809 8.392 -0.601 25 HD12 ILE 4 HD12 ILE 4 5.256 7.437 0.795 26 HD13 ILE 4 HD13 ILE 4 4.730 6.998 -0.848 27 H VAL 5 H VAL 5 0.935 10.415 -3.350 28 HA VAL 5 HA VAL 5 -1.575 8.925 -3.512 29 HB VAL 5 HB VAL 5 -0.525 11.337 -5.005 30 HG11 VAL 5 HG11 VAL 5 -2.835 11.495 -5.931 31 HG12 VAL 5 HG12 VAL 5 -1.943 10.060 -6.493 32 HG13 VAL 5 HG13 VAL 5 -3.189 9.897 -5.232 33 HG21 VAL 5 HG21 VAL 5 -2.867 11.203 -3.091 34 HG22 VAL 5 HG22 VAL 5 -1.212 11.593 -2.563 35 HG23 VAL 5 HG23 VAL 5 -2.043 12.643 -3.735 36 H LEU 6 H LEU 6 -1.657 7.110 -4.723 37 HA LEU 6 HA LEU 6 0.530 6.674 -6.606 38 HB2 LEU 6 HB2 LEU 6 -1.506 4.789 -5.410 39 HB3 LEU 6 HB3 LEU 6 -0.272 4.329 -6.566 40 HG LEU 6 HG LEU 6 0.429 5.593 -3.914 41 HD11 LEU 6 HD11 LEU 6 -0.197 3.778 -2.808 42 HD12 LEU 6 HD12 LEU 6 -0.776 3.026 -4.314 43 HD13 LEU 6 HD13 LEU 6 0.914 2.803 -3.800 44 HD21 LEU 6 HD21 LEU 6 2.368 3.736 -4.788 45 HD22 LEU 6 HD22 LEU 6 1.918 4.710 -6.208 46 HD23 LEU 6 HD23 LEU 6 2.491 5.511 -4.725 47 H LYS 7 H LYS 7 0.041 7.755 -8.488 48 HA LYS 7 HA LYS 7 -2.484 8.191 -9.486 49 HB2 LYS 7 HB2 LYS 7 0.178 7.921 -10.909 50 HB3 LYS 7 HB3 LYS 7 -1.285 8.498 -11.679 51 HG2 LYS 7 HG2 LYS 7 -1.058 10.561 -10.755 52 HG3 LYS 7 HG3 LYS 7 -0.887 9.890 -9.145 53 HD2 LYS 7 HD2 LYS 7 1.449 9.693 -11.056 54 HD3 LYS 7 HD3 LYS 7 1.120 11.232 -10.286 55 HE2 LYS 7 HE2 LYS 7 0.927 9.488 -8.134 56 HE3 LYS 7 HE3 LYS 7 2.164 8.711 -9.101 57 HZ1 LYS 7 HZ1 LYS 7 2.398 11.604 -8.690 58 HZ2 LYS 7 HZ2 LYS 7 2.772 10.638 -7.434 59 H ALA 8 H ALA 8 -3.963 7.040 -10.683 60 HA ALA 8 HA ALA 8 -3.142 4.488 -11.793 61 HB1 ALA 8 HB1 ALA 8 -4.128 4.501 -9.240 62 HB2 ALA 8 HB2 ALA 8 -5.630 4.344 -10.182 63 HB3 ALA 8 HB3 ALA 8 -4.325 3.150 -10.382 64 H LYS 9 H LYS 9 -4.345 3.945 -13.620 65 HA LYS 9 HA LYS 9 -5.952 6.063 -14.675 66 HB2 LYS 9 HB2 LYS 9 -6.019 4.678 -16.689 67 HB3 LYS 9 HB3 LYS 9 -4.382 4.862 -16.094 68 HG2 LYS 9 HG2 LYS 9 -5.573 2.538 -14.829 69 HG3 LYS 9 HG3 LYS 9 -5.826 2.425 -16.559 70 HD2 LYS 9 HD2 LYS 9 -3.097 3.139 -15.421 71 HD3 LYS 9 HD3 LYS 9 -3.603 1.468 -15.568 72 HE2 LYS 9 HE2 LYS 9 -2.574 1.746 -17.639 73 HE3 LYS 9 HE3 LYS 9 -4.214 2.188 -18.068 74 HZ1 LYS 9 HZ1 LYS 9 -2.177 3.780 -18.577 75 HZ2 LYS 9 HZ2 LYS 9 -3.645 4.395 -18.229 76 H ASN 10 H ASN 10 -6.592 3.828 -12.345 77 HA ASN 10 HA ASN 10 -9.355 3.618 -13.252 78 HB2 ASN 10 HB2 ASN 10 -7.656 1.462 -12.843 79 HB3 ASN 10 HB3 ASN 10 -8.391 1.606 -11.258 80 HD21 ASN 10 HD21 ASN 10 -9.962 0.217 -11.051 81 HD22 ASN 10 HD22 ASN 10 -11.195 -0.161 -12.208 82 H GLY 11 H GLY 11 -7.881 5.681 -11.600 83 HA2 GLY 11 HA2 GLY 11 -8.944 6.928 -9.890 84 HA3 GLY 11 HA3 GLY 11 -9.495 5.440 -9.146 85 H ASP 12 H ASP 12 -7.354 7.929 -8.748 86 HA ASP 12 HA ASP 12 -4.949 6.742 -8.210 87 HB2 ASP 12 HB2 ASP 12 -4.452 8.730 -6.901 88 HB3 ASP 12 HB3 ASP 12 -5.430 9.213 -8.274 89 HD2 ASP 12 HD2 ASP 12 -8.025 8.563 -7.033 90 H VAL 13 H VAL 13 -3.967 6.273 -5.998 91 HA VAL 13 HA VAL 13 -6.019 5.364 -4.099 92 HB VAL 13 HB VAL 13 -3.382 4.052 -4.788 93 HG11 VAL 13 HG11 VAL 13 -3.576 3.194 -2.720 94 HG12 VAL 13 HG12 VAL 13 -5.262 3.738 -2.552 95 HG13 VAL 13 HG13 VAL 13 -4.898 2.216 -3.399 96 HG21 VAL 13 HG21 VAL 13 -5.109 2.177 -5.471 97 HG22 VAL 13 HG22 VAL 13 -6.205 3.563 -5.681 98 HG23 VAL 13 HG23 VAL 13 -4.686 3.483 -6.604 99 H LYS 14 H LYS 14 -5.928 6.433 -2.197 100 HA LYS 14 HA LYS 14 -3.576 8.023 -1.649 101 HB2 LYS 14 HB2 LYS 14 -5.964 8.853 -1.440 102 HB3 LYS 14 HB3 LYS 14 -6.132 7.814 -0.039 103 HG2 LYS 14 HG2 LYS 14 -3.963 9.946 -0.336 104 HG3 LYS 14 HG3 LYS 14 -5.472 10.196 0.519 105 HD2 LYS 14 HD2 LYS 14 -4.762 8.000 1.843 106 HD3 LYS 14 HD3 LYS 14 -3.157 8.389 1.258 107 HE2 LYS 14 HE2 LYS 14 -3.128 10.506 2.391 108 HE3 LYS 14 HE3 LYS 14 -4.864 10.498 2.635 109 HZ1 LYS 14 HZ1 LYS 14 -3.740 9.869 4.674 110 HZ2 LYS 14 HZ2 LYS 14 -4.557 8.568 4.134 111 H PHE 15 H PHE 15 -1.854 7.026 -0.743 112 HA PHE 15 HA PHE 15 -2.439 4.943 1.237 113 HB2 PHE 15 HB2 PHE 15 -1.118 4.277 -0.790 114 HB3 PHE 15 HB3 PHE 15 -0.016 5.615 -0.536 115 HD1 PHE 15 HD1 PHE 15 -1.336 2.722 1.435 116 HD2 PHE 15 HD2 PHE 15 2.027 5.076 0.362 117 HE1 PHE 15 HE1 PHE 15 0.142 1.242 2.822 118 HE2 PHE 15 HE2 PHE 15 3.506 3.596 1.749 119 HZ PHE 15 HZ PHE 15 2.546 1.697 2.963 120 HA PRO 16 HA PRO 16 -0.706 7.849 4.122 121 HB2 PRO 16 HB2 PRO 16 -1.553 6.562 6.372 122 HB3 PRO 16 HB3 PRO 16 -2.696 7.396 5.269 123 HG2 PRO 16 HG2 PRO 16 -2.378 4.268 5.450 124 HG3 PRO 16 HG3 PRO 16 -3.535 5.619 5.217 125 HD2 PRO 16 HD2 PRO 16 -1.948 4.102 3.219 126 HD3 PRO 16 HD3 PRO 16 -3.272 5.275 2.942 127 H HIS 17 H HIS 17 1.581 7.512 3.745 128 HA HIS 17 HA HIS 17 2.736 5.049 4.634 129 HB2 HIS 17 HB2 HIS 17 3.547 6.242 2.638 130 HB3 HIS 17 HB3 HIS 17 4.011 7.610 3.631 131 HD1 HIS 17 HD1 HIS 17 5.992 7.146 5.423 132 HD2 HIS 17 HD2 HIS 17 5.429 4.221 2.470 133 HE1 HIS 17 HE1 HIS 17 8.114 5.729 5.407 134 H LYS 18 H LYS 18 1.352 6.036 6.780 135 HA LYS 18 HA LYS 18 3.550 6.787 8.546 136 HB2 LYS 18 HB2 LYS 18 2.669 8.912 8.313 137 HB3 LYS 18 HB3 LYS 18 1.030 8.340 8.080 138 HG2 LYS 18 HG2 LYS 18 0.590 8.295 10.326 139 HG3 LYS 18 HG3 LYS 18 2.141 7.580 10.715 140 HD2 LYS 18 HD2 LYS 18 3.082 9.994 10.083 141 HD3 LYS 18 HD3 LYS 18 1.433 10.503 10.386 142 HE2 LYS 18 HE2 LYS 18 2.841 8.751 12.420 143 HE3 LYS 18 HE3 LYS 18 3.200 10.465 12.369 144 HZ1 LYS 18 HZ1 LYS 18 1.161 10.964 13.200 145 HZ2 LYS 18 HZ2 LYS 18 0.370 9.848 12.316 146 H ALA 19 H ALA 19 -0.038 6.206 8.682 147 HA ALA 19 HA ALA 19 -0.002 4.888 11.100 148 HB1 ALA 19 HB1 ALA 19 -2.157 3.799 10.014 149 HB2 ALA 19 HB2 ALA 19 -2.107 5.543 10.363 150 HB3 ALA 19 HB3 ALA 19 -1.827 4.959 8.706 151 H HIS 20 H HIS 20 1.096 3.852 7.936 152 HA HIS 20 HA HIS 20 0.898 1.063 8.566 153 HB2 HIS 20 HB2 HIS 20 1.978 2.672 6.263 154 HB3 HIS 20 HB3 HIS 20 2.358 0.967 6.404 155 HD1 HIS 20 HD1 HIS 20 -0.549 3.321 5.832 156 HD2 HIS 20 HD2 HIS 20 0.255 -0.795 5.804 157 HE1 HIS 20 HE1 HIS 20 -2.591 2.201 4.790 158 H GLN 21 H GLN 21 2.707 3.423 9.906 159 HA GLN 21 HA GLN 21 5.202 1.965 9.788 160 HB2 GLN 21 HB2 GLN 21 4.465 4.674 10.976 161 HB3 GLN 21 HB3 GLN 21 6.063 3.967 11.108 162 HG2 GLN 21 HG2 GLN 21 6.415 4.034 8.729 163 HG3 GLN 21 HG3 GLN 21 4.715 4.304 8.401 164 HE21 GLN 21 HE21 GLN 21 6.562 5.922 7.287 165 HE22 GLN 21 HE22 GLN 21 6.518 7.512 7.971 166 H LYS 22 H LYS 22 2.911 3.342 12.255 167 HA LYS 22 HA LYS 22 4.150 1.998 14.406 168 HB2 LYS 22 HB2 LYS 22 2.594 3.048 15.723 169 HB3 LYS 22 HB3 LYS 22 2.593 4.107 14.326 170 HG2 LYS 22 HG2 LYS 22 0.322 3.783 14.398 171 HG3 LYS 22 HG3 LYS 22 0.697 2.314 13.519 172 HD2 LYS 22 HD2 LYS 22 0.279 0.948 15.334 173 HD3 LYS 22 HD3 LYS 22 0.935 2.092 16.487 174 HE2 LYS 22 HE2 LYS 22 -1.127 2.934 16.950 175 HE3 LYS 22 HE3 LYS 22 -1.472 3.196 15.252 176 HZ1 LYS 22 HZ1 LYS 22 -3.018 1.583 15.847 177 HZ2 LYS 22 HZ2 LYS 22 -1.839 0.633 15.246 178 H ALA 23 H ALA 23 1.727 1.122 11.981 179 HA ALA 23 HA ALA 23 0.771 -1.136 13.463 180 HB1 ALA 23 HB1 ALA 23 -0.087 -1.593 10.961 181 HB2 ALA 23 HB2 ALA 23 -0.854 -0.384 12.018 182 HB3 ALA 23 HB3 ALA 23 0.323 0.130 10.786 183 H VAL 24 H VAL 24 3.356 -0.398 11.141 184 HA VAL 24 HA VAL 24 4.285 -3.147 11.471 185 HB VAL 24 HB VAL 24 4.078 -1.693 8.826 186 HG11 VAL 24 HG11 VAL 24 6.054 -2.997 8.751 187 HG12 VAL 24 HG12 VAL 24 5.287 -4.356 9.607 188 HG13 VAL 24 HG13 VAL 24 4.807 -3.971 7.937 189 HG21 VAL 24 HG21 VAL 24 1.964 -2.466 8.875 190 HG22 VAL 24 HG22 VAL 24 2.702 -4.052 8.549 191 HG23 VAL 24 HG23 VAL 24 2.298 -3.584 10.219 192 HA PRO 25 HA PRO 25 7.127 0.442 12.677 193 HB2 PRO 25 HB2 PRO 25 7.831 -2.001 14.369 194 HB3 PRO 25 HB3 PRO 25 7.921 -0.253 14.763 195 HG2 PRO 25 HG2 PRO 25 5.549 -1.615 15.592 196 HG3 PRO 25 HG3 PRO 25 5.772 -0.005 14.834 197 HD2 PRO 25 HD2 PRO 25 4.955 -2.676 13.566 198 HD3 PRO 25 HD3 PRO 25 4.180 -1.073 13.386 199 H ASP 26 H ASP 26 7.432 -2.968 11.596 200 HA ASP 26 HA ASP 26 10.217 -2.710 11.149 201 HB2 ASP 26 HB2 ASP 26 9.182 -4.904 11.590 202 HB3 ASP 26 HB3 ASP 26 8.145 -4.735 10.188 203 HD2 ASP 26 HD2 ASP 26 9.714 -6.859 10.514 204 H CYS 27 H CYS 27 11.005 -1.455 9.450 205 HA CYS 27 HA CYS 27 9.259 -0.831 7.256 206 HB2 CYS 27 HB2 CYS 27 12.139 -0.015 7.384 207 HB3 CYS 27 HB3 CYS 27 10.776 0.822 6.669 208 H LYS 28 H LYS 28 11.546 -3.259 8.141 209 HA LYS 28 HA LYS 28 12.562 -3.735 5.507 210 HB2 LYS 28 HB2 LYS 28 12.693 -5.496 7.971 211 HB3 LYS 28 HB3 LYS 28 13.674 -5.636 6.526 212 HG2 LYS 28 HG2 LYS 28 14.027 -2.954 7.276 213 HG3 LYS 28 HG3 LYS 28 13.961 -3.790 8.814 214 HD2 LYS 28 HD2 LYS 28 15.586 -5.395 7.077 215 HD3 LYS 28 HD3 LYS 28 16.118 -3.737 6.872 216 HE2 LYS 28 HE2 LYS 28 17.016 -3.638 8.976 217 HE3 LYS 28 HE3 LYS 28 15.630 -4.421 9.707 218 HZ1 LYS 28 HZ1 LYS 28 17.719 -5.884 8.183 219 HZ2 LYS 28 HZ2 LYS 28 17.687 -5.780 9.808 220 H LYS 29 H LYS 29 9.535 -4.092 6.884 221 HA LYS 29 HA LYS 29 8.874 -6.694 5.996 222 HB2 LYS 29 HB2 LYS 29 7.491 -4.360 7.175 223 HB3 LYS 29 HB3 LYS 29 6.491 -5.365 6.145 224 HG2 LYS 29 HG2 LYS 29 8.259 -6.523 8.345 225 HG3 LYS 29 HG3 LYS 29 6.600 -6.034 8.630 226 HD2 LYS 29 HD2 LYS 29 6.621 -7.658 6.251 227 HD3 LYS 29 HD3 LYS 29 7.571 -8.494 7.463 228 HE2 LYS 29 HE2 LYS 29 4.766 -7.386 7.959 229 HE3 LYS 29 HE3 LYS 29 5.098 -9.052 7.525 230 HZ1 LYS 29 HZ1 LYS 29 6.612 -9.066 9.559 231 HZ2 LYS 29 HZ2 LYS 29 5.924 -7.657 10.002 232 H CYS 30 H CYS 30 8.358 -3.373 4.634 233 HA CYS 30 HA CYS 30 7.530 -4.629 2.147 234 HB2 CYS 30 HB2 CYS 30 7.556 -1.664 2.758 235 HB3 CYS 30 HB3 CYS 30 6.678 -2.497 1.492 236 H HIS 31 H HIS 31 9.835 -2.125 3.439 237 HA HIS 31 HA HIS 31 11.276 -2.011 1.003 238 HB2 HIS 31 HB2 HIS 31 11.972 -1.030 3.785 239 HB3 HIS 31 HB3 HIS 31 12.870 -0.643 2.331 240 HD1 HIS 31 HD1 HIS 31 11.108 0.444 0.337 241 HD2 HIS 31 HD2 HIS 31 10.190 0.931 4.401 242 HE1 HIS 31 HE1 HIS 31 9.495 2.416 0.474 243 H GLU 32 H GLU 32 12.337 -3.793 0.260 244 HA GLU 32 HA GLU 32 13.487 -5.591 2.172 245 HB2 GLU 32 HB2 GLU 32 12.817 -5.630 -0.726 246 HB3 GLU 32 HB3 GLU 32 14.255 -6.537 -0.302 247 HG2 GLU 32 HG2 GLU 32 12.057 -7.002 1.608 248 HG3 GLU 32 HG3 GLU 32 11.596 -7.413 -0.032 249 HE2 GLU 32 HE2 GLU 32 13.685 -9.672 2.194 250 H LYS 33 H LYS 33 14.594 -3.460 -0.545 251 HA LYS 33 HA LYS 33 17.346 -3.900 0.284 252 HB2 LYS 33 HB2 LYS 33 16.149 -2.455 -2.098 253 HB3 LYS 33 HB3 LYS 33 17.866 -2.601 -1.783 254 HG2 LYS 33 HG2 LYS 33 16.934 -5.241 -1.528 255 HG3 LYS 33 HG3 LYS 33 15.984 -4.604 -2.856 256 HD2 LYS 33 HD2 LYS 33 17.804 -4.424 -4.254 257 HD3 LYS 33 HD3 LYS 33 18.868 -3.879 -2.973 258 HE2 LYS 33 HE2 LYS 33 19.679 -5.979 -2.635 259 HE3 LYS 33 HE3 LYS 33 18.067 -6.653 -2.503 260 HZ1 LYS 33 HZ1 LYS 33 19.557 -7.350 -4.488 261 HZ2 LYS 33 HZ2 LYS 33 17.984 -7.054 -4.786 262 H GLY 34 H GLY 34 15.456 -2.538 2.090 263 HA2 GLY 34 HA2 GLY 34 15.859 -0.858 3.599 264 HA3 GLY 34 HA3 GLY 34 17.041 -0.143 2.521 265 HA PRO 35 HA PRO 35 12.824 2.146 2.700 266 HB2 PRO 35 HB2 PRO 35 14.113 4.556 3.364 267 HB3 PRO 35 HB3 PRO 35 13.371 3.415 4.531 268 HG2 PRO 35 HG2 PRO 35 16.143 3.587 3.564 269 HG3 PRO 35 HG3 PRO 35 15.906 3.427 5.335 270 HD2 PRO 35 HD2 PRO 35 16.481 1.209 4.140 271 HD3 PRO 35 HD3 PRO 35 14.890 1.180 4.958 272 H GLY 36 H GLY 36 12.108 3.330 0.867 273 HA2 GLY 36 HA2 GLY 36 13.091 5.099 -0.718 274 HA3 GLY 36 HA3 GLY 36 14.191 3.808 -1.159 275 H LYS 37 H LYS 37 12.876 4.587 -3.281 276 HA LYS 37 HA LYS 37 10.266 3.705 -3.638 277 HB2 LYS 37 HB2 LYS 37 12.555 4.418 -5.434 278 HB3 LYS 37 HB3 LYS 37 11.163 3.618 -6.136 279 HG2 LYS 37 HG2 LYS 37 10.182 5.667 -6.227 280 HG3 LYS 37 HG3 LYS 37 9.986 5.548 -4.490 281 HD2 LYS 37 HD2 LYS 37 11.384 7.309 -4.223 282 HD3 LYS 37 HD3 LYS 37 12.689 6.367 -4.917 283 HE2 LYS 37 HE2 LYS 37 12.385 7.262 -7.073 284 HE3 LYS 37 HE3 LYS 37 10.694 7.632 -6.799 285 HZ1 LYS 37 HZ1 LYS 37 12.124 9.631 -6.769 286 HZ2 LYS 37 HZ2 LYS 37 11.353 9.448 -5.346 287 H ILE 38 H ILE 38 9.414 1.818 -4.736 288 HA ILE 38 HA ILE 38 11.152 -0.509 -4.316 289 HB ILE 38 HB ILE 38 8.141 -0.278 -4.293 290 HG12 ILE 38 HG12 ILE 38 10.026 -0.879 -2.000 291 HG13 ILE 38 HG13 ILE 38 9.380 0.715 -2.336 292 HG21 ILE 38 HG21 ILE 38 8.358 -2.666 -3.380 293 HG22 ILE 38 HG22 ILE 38 8.565 -2.421 -5.131 294 HG23 ILE 38 HG23 ILE 38 9.990 -2.651 -4.090 295 HD11 ILE 38 HD11 ILE 38 7.269 -1.337 -2.333 296 HD12 ILE 38 HD12 ILE 38 8.148 -1.262 -0.787 297 HD13 ILE 38 HD13 ILE 38 7.359 0.197 -1.433 298 H GLU 39 H GLU 39 11.962 -1.435 -6.112 299 HA GLU 39 HA GLU 39 10.855 -0.655 -8.629 300 HB2 GLU 39 HB2 GLU 39 13.277 -2.249 -7.751 301 HB3 GLU 39 HB3 GLU 39 12.777 -2.269 -9.430 302 HG2 GLU 39 HG2 GLU 39 14.459 -0.494 -9.042 303 HG3 GLU 39 HG3 GLU 39 12.930 0.203 -9.541 304 HE2 GLU 39 HE2 GLU 39 12.024 1.657 -6.862 305 H GLY 40 H GLY 40 9.571 -1.896 -9.984 306 HA2 GLY 40 HA2 GLY 40 8.901 -4.009 -10.831 307 HA3 GLY 40 HA3 GLY 40 9.174 -4.725 -9.255 308 H PHE 41 H PHE 41 7.918 -2.671 -7.622 309 HA PHE 41 HA PHE 41 5.471 -3.528 -7.225 310 HB2 PHE 41 HB2 PHE 41 6.721 -1.610 -6.087 311 HB3 PHE 41 HB3 PHE 41 6.313 -0.574 -7.440 312 HD1 PHE 41 HD1 PHE 41 4.752 -2.631 -4.762 313 HD2 PHE 41 HD2 PHE 41 4.331 0.654 -7.415 314 HE1 PHE 41 HE1 PHE 41 2.611 -1.985 -3.622 315 HE2 PHE 41 HE2 PHE 41 2.191 1.301 -6.275 316 HZ PHE 41 HZ PHE 41 1.356 -0.026 -4.392 317 H GLY 42 H GLY 42 3.281 -3.041 -7.868 318 HA2 GLY 42 HA2 GLY 42 2.563 -1.298 -9.921 319 HA3 GLY 42 HA3 GLY 42 2.921 -2.845 -10.662 320 H LYS 43 H LYS 43 0.601 -2.934 -11.243 321 HA LYS 43 HA LYS 43 -1.432 -2.883 -9.350 322 HB2 LYS 43 HB2 LYS 43 -1.567 -2.759 -11.899 323 HB3 LYS 43 HB3 LYS 43 -1.451 -4.507 -11.902 324 HG2 LYS 43 HG2 LYS 43 -3.404 -4.078 -9.971 325 HG3 LYS 43 HG3 LYS 43 -3.717 -2.765 -11.089 326 HD2 LYS 43 HD2 LYS 43 -3.243 -5.049 -12.722 327 HD3 LYS 43 HD3 LYS 43 -4.255 -5.619 -11.409 328 HE2 LYS 43 HE2 LYS 43 -5.954 -3.934 -11.874 329 HE3 LYS 43 HE3 LYS 43 -4.902 -3.096 -12.998 330 HZ1 LYS 43 HZ1 LYS 43 -6.681 -4.898 -13.791 331 HZ2 LYS 43 HZ2 LYS 43 -5.302 -4.641 -14.618 332 H GLU 44 H GLU 44 -0.413 -5.911 -11.053 333 HA GLU 44 HA GLU 44 -1.459 -7.700 -9.459 334 HB2 GLU 44 HB2 GLU 44 1.257 -7.672 -10.799 335 HB3 GLU 44 HB3 GLU 44 0.754 -9.076 -9.878 336 HG2 GLU 44 HG2 GLU 44 0.178 -8.768 -12.513 337 HG3 GLU 44 HG3 GLU 44 -0.836 -9.696 -11.426 338 HE2 GLU 44 HE2 GLU 44 -2.698 -8.686 -10.679 339 H MET 45 H MET 45 1.411 -5.713 -8.668 340 HA MET 45 HA MET 45 2.080 -7.172 -6.364 341 HB2 MET 45 HB2 MET 45 3.215 -5.138 -7.901 342 HB3 MET 45 HB3 MET 45 2.750 -4.257 -6.459 343 HG2 MET 45 HG2 MET 45 4.315 -6.871 -6.317 344 HG3 MET 45 HG3 MET 45 5.113 -5.319 -6.468 345 HE1 MET 45 HE1 MET 45 6.263 -5.509 -3.510 346 HE2 MET 45 HE2 MET 45 5.346 -6.907 -2.900 347 HE3 MET 45 HE3 MET 45 5.974 -6.913 -4.565 348 H ALA 46 H ALA 46 0.456 -3.947 -6.831 349 HA ALA 46 HA ALA 46 -0.086 -3.432 -4.189 350 HB1 ALA 46 HB1 ALA 46 -2.263 -2.609 -5.939 351 HB2 ALA 46 HB2 ALA 46 -1.026 -1.618 -5.128 352 HB3 ALA 46 HB3 ALA 46 -0.684 -2.344 -6.717 353 H HIS 47 H HIS 47 -2.144 -5.177 -6.621 354 HA HIS 47 HA HIS 47 -4.110 -5.799 -4.688 355 HB2 HIS 47 HB2 HIS 47 -3.593 -7.038 -7.406 356 HB3 HIS 47 HB3 HIS 47 -5.055 -7.216 -6.456 357 HD1 HIS 47 HD1 HIS 47 -4.793 -5.870 -9.374 358 HD2 HIS 47 HD2 HIS 47 -5.201 -3.866 -5.711 359 HE1 HIS 47 HE1 HIS 47 -5.770 -3.576 -9.919 360 H GLY 48 H GLY 48 -1.137 -7.352 -5.899 361 HA2 GLY 48 HA2 GLY 48 -1.667 -9.915 -4.761 362 HA3 GLY 48 HA3 GLY 48 -0.140 -9.309 -5.372 363 H LYS 49 H LYS 49 1.348 -9.654 -3.760 364 HA LYS 49 HA LYS 49 0.551 -9.196 -1.014 365 HB2 LYS 49 HB2 LYS 49 3.078 -10.297 -2.274 366 HB3 LYS 49 HB3 LYS 49 2.862 -10.080 -0.549 367 HG2 LYS 49 HG2 LYS 49 0.955 -11.618 -0.523 368 HG3 LYS 49 HG3 LYS 49 0.944 -11.712 -2.273 369 HD2 LYS 49 HD2 LYS 49 3.467 -12.527 -1.942 370 HD3 LYS 49 HD3 LYS 49 2.919 -12.913 -0.322 371 HE2 LYS 49 HE2 LYS 49 2.361 -14.913 -1.347 372 HE3 LYS 49 HE3 LYS 49 0.873 -14.044 -1.667 373 HZ1 LYS 49 HZ1 LYS 49 1.319 -14.091 -3.860 374 HZ2 LYS 49 HZ2 LYS 49 2.824 -13.497 -3.677 375 H GLY 50 H GLY 50 0.440 -6.876 -2.686 376 HA2 GLY 50 HA2 GLY 50 2.827 -5.362 -1.840 377 HA3 GLY 50 HA3 GLY 50 1.752 -4.945 -3.159 378 H CYS 51 H CYS 51 -0.790 -5.088 -2.162 379 HA CYS 51 HA CYS 51 -0.697 -3.378 0.215 380 HB2 CYS 51 HB2 CYS 51 -2.468 -3.026 -2.213 381 HB3 CYS 51 HB3 CYS 51 -2.616 -2.124 -0.718 382 H LYS 52 H LYS 52 -3.469 -4.544 -1.779 383 HA LYS 52 HA LYS 52 -5.077 -5.326 0.226 384 HB2 LYS 52 HB2 LYS 52 -4.725 -6.298 -2.594 385 HB3 LYS 52 HB3 LYS 52 -5.874 -7.103 -1.546 386 HG2 LYS 52 HG2 LYS 52 -6.372 -4.371 -1.089 387 HG3 LYS 52 HG3 LYS 52 -6.043 -4.445 -2.809 388 HD2 LYS 52 HD2 LYS 52 -7.972 -6.380 -1.459 389 HD3 LYS 52 HD3 LYS 52 -8.498 -4.817 -2.054 390 HE2 LYS 52 HE2 LYS 52 -8.544 -5.560 -4.203 391 HE3 LYS 52 HE3 LYS 52 -6.903 -6.167 -4.095 392 HZ1 LYS 52 HZ1 LYS 52 -9.112 -7.731 -4.251 393 HZ2 LYS 52 HZ2 LYS 52 -7.662 -8.251 -3.722 394 H GLY 53 H GLY 53 -2.539 -7.365 -1.362 395 HA2 GLY 53 HA2 GLY 53 -2.782 -9.770 -0.319 396 HA3 GLY 53 HA3 GLY 53 -1.235 -8.948 -0.346 397 H CYS 54 H CYS 54 -0.860 -7.339 1.579 398 HA CYS 54 HA CYS 54 -0.863 -8.779 3.908 399 HB2 CYS 54 HB2 CYS 54 0.587 -6.816 3.408 400 HB3 CYS 54 HB3 CYS 54 -0.787 -5.755 3.651 401 H HIS 55 H HIS 55 -3.160 -6.256 2.691 402 HA HIS 55 HA HIS 55 -4.726 -6.008 4.917 403 HB2 HIS 55 HB2 HIS 55 -5.381 -5.837 1.971 404 HB3 HIS 55 HB3 HIS 55 -6.560 -5.468 3.213 405 HD1 HIS 55 HD1 HIS 55 -6.245 -3.073 1.735 406 HD2 HIS 55 HD2 HIS 55 -3.290 -4.132 4.518 407 HE1 HIS 55 HE1 HIS 55 -4.965 -0.932 2.269 408 H GLU 56 H GLU 56 -5.648 -8.037 2.042 409 HA GLU 56 HA GLU 56 -7.594 -9.415 3.405 410 HB2 GLU 56 HB2 GLU 56 -6.999 -11.197 1.484 411 HB3 GLU 56 HB3 GLU 56 -7.825 -9.693 1.130 412 HG2 GLU 56 HG2 GLU 56 -5.900 -8.679 0.225 413 HG3 GLU 56 HG3 GLU 56 -4.803 -9.703 1.131 414 HE2 GLU 56 HE2 GLU 56 -5.023 -12.347 -1.150 415 H GLU 57 H GLU 57 -4.109 -9.713 3.489 416 HA GLU 57 HA GLU 57 -3.995 -12.413 4.211 417 HB2 GLU 57 HB2 GLU 57 -2.035 -11.242 3.338 418 HB3 GLU 57 HB3 GLU 57 -2.062 -10.101 4.668 419 HG2 GLU 57 HG2 GLU 57 -1.899 -12.310 6.165 420 HG3 GLU 57 HG3 GLU 57 -1.271 -13.020 4.691 421 HE2 GLU 57 HE2 GLU 57 -0.346 -11.297 7.354 422 H MET 58 H MET 58 -3.792 -9.352 6.167 423 HA MET 58 HA MET 58 -4.008 -10.894 8.569 424 HB2 MET 58 HB2 MET 58 -3.929 -7.878 8.005 425 HB3 MET 58 HB3 MET 58 -3.914 -8.559 9.619 426 HG2 MET 58 HG2 MET 58 -1.870 -9.734 7.802 427 HG3 MET 58 HG3 MET 58 -1.651 -8.021 8.100 428 HE1 MET 58 HE1 MET 58 -1.595 -6.917 10.082 429 HE2 MET 58 HE2 MET 58 -2.441 -7.622 11.480 430 HE3 MET 58 HE3 MET 58 -0.665 -7.508 11.480 431 H LYS 59 H LYS 59 -6.184 -9.718 6.252 432 HA LYS 59 HA LYS 59 -8.397 -9.657 6.209 433 HB2 LYS 59 HB2 LYS 59 -7.881 -11.150 8.654 434 HB3 LYS 59 HB3 LYS 59 -9.349 -10.202 8.787 435 HG2 LYS 59 HG2 LYS 59 -8.705 -12.057 6.446 436 HG3 LYS 59 HG3 LYS 59 -9.720 -12.498 7.805 437 HD2 LYS 59 HD2 LYS 59 -10.728 -9.997 6.875 438 HD3 LYS 59 HD3 LYS 59 -10.405 -10.940 5.434 439 HE2 LYS 59 HE2 LYS 59 -12.464 -11.859 5.842 440 HE3 LYS 59 HE3 LYS 59 -11.604 -12.855 6.999 441 HZ1 LYS 59 HZ1 LYS 59 -12.315 -11.519 8.763 442 HZ2 LYS 59 HZ2 LYS 59 -12.625 -10.217 7.836 443 H LYS 60 H LYS 60 -6.419 -7.505 7.348 444 HA LYS 60 HA LYS 60 -8.559 -5.754 8.341 445 HB2 LYS 60 HB2 LYS 60 -5.637 -5.723 9.152 446 HB3 LYS 60 HB3 LYS 60 -6.864 -4.594 9.690 447 HG2 LYS 60 HG2 LYS 60 -7.330 -7.565 10.056 448 HG3 LYS 60 HG3 LYS 60 -6.261 -6.726 11.163 449 HD2 LYS 60 HD2 LYS 60 -8.129 -6.147 12.324 450 HD3 LYS 60 HD3 LYS 60 -8.454 -5.003 11.037 451 HE2 LYS 60 HE2 LYS 60 -9.881 -6.586 9.866 452 HE3 LYS 60 HE3 LYS 60 -9.371 -7.909 10.897 453 HZ1 LYS 60 HZ1 LYS 60 -10.632 -7.100 12.660 454 HZ2 LYS 60 HZ2 LYS 60 -10.644 -5.559 12.135 455 H GLY 61 H GLY 61 -8.612 -3.620 7.512 456 HA2 GLY 61 HA2 GLY 61 -7.756 -1.865 6.226 457 HA3 GLY 61 HA3 GLY 61 -6.647 -2.966 5.433 458 HA PRO 62 HA PRO 62 -10.645 -2.178 2.951 459 HB2 PRO 62 HB2 PRO 62 -9.514 -0.571 1.008 460 HB3 PRO 62 HB3 PRO 62 -10.205 0.061 2.538 461 HG2 PRO 62 HG2 PRO 62 -7.479 -0.637 1.827 462 HG3 PRO 62 HG3 PRO 62 -7.876 0.927 2.611 463 HD2 PRO 62 HD2 PRO 62 -6.897 -1.048 4.116 464 HD3 PRO 62 HD3 PRO 62 -8.358 -0.197 4.704 465 H THR 63 H THR 63 -11.005 -3.972 1.648 466 HA THR 63 HA THR 63 -8.750 -4.801 -0.057 467 HB THR 63 HB THR 63 -9.429 -7.139 0.423 468 HG1 THR 63 HG1 THR 63 -11.283 -5.807 2.262 469 HG21 THR 63 HG21 THR 63 -7.903 -6.585 2.141 470 HG22 THR 63 HG22 THR 63 -8.943 -5.288 2.776 471 HG23 THR 63 HG23 THR 63 -9.355 -6.992 3.087 472 H LYS 64 H LYS 64 -11.885 -3.544 0.104 473 HA LYS 64 HA LYS 64 -12.700 -4.865 -2.363 474 HB2 LYS 64 HB2 LYS 64 -14.231 -2.950 -0.578 475 HB3 LYS 64 HB3 LYS 64 -14.876 -3.836 -1.945 476 HG2 LYS 64 HG2 LYS 64 -13.497 -5.637 -0.080 477 HG3 LYS 64 HG3 LYS 64 -14.745 -4.721 0.740 478 HD2 LYS 64 HD2 LYS 64 -16.376 -5.971 -0.220 479 HD3 LYS 64 HD3 LYS 64 -15.776 -5.604 -1.825 480 HE2 LYS 64 HE2 LYS 64 -14.537 -7.746 -0.037 481 HE3 LYS 64 HE3 LYS 64 -15.798 -8.089 -1.205 482 HZ1 LYS 64 HZ1 LYS 64 -13.786 -6.604 -2.493 483 HZ2 LYS 64 HZ2 LYS 64 -13.057 -7.829 -1.705 484 H CYS 65 H CYS 65 -13.423 -3.552 -4.216 485 HA CYS 65 HA CYS 65 -11.511 -1.571 -4.799 486 HB2 CYS 65 HB2 CYS 65 -13.978 -1.782 -6.444 487 HB3 CYS 65 HB3 CYS 65 -12.302 -1.631 -6.935 488 H GLY 66 H GLY 66 -12.063 0.726 -5.415 489 HA2 GLY 66 HA2 GLY 66 -13.326 2.641 -5.261 490 HA3 GLY 66 HA3 GLY 66 -14.546 1.790 -4.334 491 H GLU 67 H GLU 67 -12.650 0.578 -2.397 492 HA GLU 67 HA GLU 67 -12.572 2.764 -0.621 493 HB2 GLU 67 HB2 GLU 67 -12.669 0.001 -0.375 494 HB3 GLU 67 HB3 GLU 67 -11.028 0.348 0.133 495 HG2 GLU 67 HG2 GLU 67 -11.899 2.057 1.752 496 HG3 GLU 67 HG3 GLU 67 -13.538 1.685 1.254 497 HE2 GLU 67 HE2 GLU 67 -12.359 -1.425 1.306 498 H CYS 68 H CYS 68 -10.380 1.436 -2.981 499 HA CYS 68 HA CYS 68 -8.163 2.877 -1.723 500 HB2 CYS 68 HB2 CYS 68 -8.321 0.290 -3.048 501 HB3 CYS 68 HB3 CYS 68 -7.134 1.321 -3.823 502 H HIS 69 H HIS 69 -9.859 2.120 -4.841 503 HA HIS 69 HA HIS 69 -8.532 4.355 -6.101 504 HB2 HIS 69 HB2 HIS 69 -10.542 2.359 -7.181 505 HB3 HIS 69 HB3 HIS 69 -9.712 3.576 -8.129 506 HD1 HIS 69 HD1 HIS 69 -6.942 3.333 -8.071 507 HD2 HIS 69 HD2 HIS 69 -9.220 -0.036 -7.041 508 HE1 HIS 69 HE1 HIS 69 -5.387 1.322 -8.296 509 H LYS 70 H LYS 70 -9.305 6.310 -5.386 510 HA LYS 70 HA LYS 70 -12.212 6.582 -5.193 511 HB2 LYS 70 HB2 LYS 70 -9.919 8.158 -4.005 512 HB3 LYS 70 HB3 LYS 70 -11.573 8.735 -3.985 513 HG2 LYS 70 HG2 LYS 70 -11.239 5.915 -3.076 514 HG3 LYS 70 HG3 LYS 70 -10.460 7.105 -2.053 515 HD2 LYS 70 HD2 LYS 70 -12.595 8.364 -1.849 516 HD3 LYS 70 HD3 LYS 70 -13.385 7.231 -2.927 517 HE2 LYS 70 HE2 LYS 70 -13.415 5.508 -1.337 518 HE3 LYS 70 HE3 LYS 70 -11.993 6.102 -0.502 519 HZ1 LYS 70 HZ1 LYS 70 -14.700 6.686 0.062 520 HZ2 LYS 70 HZ2 LYS 70 -13.384 7.116 0.920 521 H LYS 71 H LYS 71 -13.229 7.364 -6.952 522 HA LYS 71 HA LYS 71 -11.689 8.726 -8.962 523 HB2 LYS 71 HB2 LYS 71 -13.571 6.973 -9.287 524 HB3 LYS 71 HB3 LYS 71 -14.675 8.302 -8.993 525 HG2 LYS 71 HG2 LYS 71 -14.390 8.281 -11.360 526 HG3 LYS 71 HG3 LYS 71 -13.382 9.606 -10.812 527 HD2 LYS 71 HD2 LYS 71 -11.414 8.524 -11.355 528 HD3 LYS 71 HD3 LYS 71 -12.024 6.948 -10.889 529 HE2 LYS 71 HE2 LYS 71 -13.600 7.296 -13.039 530 HE3 LYS 71 HE3 LYS 71 -12.326 8.399 -13.520 531 HZ1 LYS 71 HZ1 LYS 71 -12.259 5.532 -13.420 532 HZ2 LYS 71 HZ2 LYS 71 -11.281 6.547 -14.235 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 5.281 14.564 2.414 2 HA ALA 1 HA ALA 1 5.951 13.150 4.018 3 HB1 ALA 1 HB1 ALA 1 4.917 13.643 6.121 4 HB2 ALA 1 HB2 ALA 1 4.749 15.109 5.125 5 HB3 ALA 1 HB3 ALA 1 3.359 14.019 5.346 6 H ASP 2 H ASP 2 4.183 11.762 5.987 7 HA ASP 2 HA ASP 2 4.155 9.314 5.109 8 HB2 ASP 2 HB2 ASP 2 1.536 9.880 6.352 9 HB3 ASP 2 HB3 ASP 2 2.845 8.869 6.933 10 HD2 ASP 2 HD2 ASP 2 4.089 10.185 8.911 11 H ASP 3 H ASP 3 1.745 11.854 4.275 12 HA ASP 3 HA ASP 3 -0.060 10.163 3.003 13 HB2 ASP 3 HB2 ASP 3 0.268 12.953 1.970 14 HB3 ASP 3 HB3 ASP 3 -1.191 12.118 2.461 15 HD2 ASP 3 HD2 ASP 3 1.566 13.779 3.725 16 H ILE 4 H ILE 4 0.234 9.079 1.049 17 HA ILE 4 HA ILE 4 1.938 10.363 -0.953 18 HB ILE 4 HB ILE 4 2.126 7.502 -0.009 19 HG12 ILE 4 HG12 ILE 4 3.998 9.872 0.122 20 HG13 ILE 4 HG13 ILE 4 3.364 8.916 1.447 21 HG21 ILE 4 HG21 ILE 4 3.913 8.564 -2.146 22 HG22 ILE 4 HG22 ILE 4 3.331 6.909 -1.846 23 HG23 ILE 4 HG23 ILE 4 2.252 8.109 -2.597 24 HD11 ILE 4 HD11 ILE 4 5.751 8.462 -0.117 25 HD12 ILE 4 HD12 ILE 4 5.170 7.563 1.305 26 HD13 ILE 4 HD13 ILE 4 4.653 7.077 -0.328 27 H VAL 5 H VAL 5 0.995 10.448 -2.936 28 HA VAL 5 HA VAL 5 -1.506 8.954 -3.219 29 HB VAL 5 HB VAL 5 -0.420 11.389 -4.647 30 HG11 VAL 5 HG11 VAL 5 -3.053 11.343 -5.279 31 HG12 VAL 5 HG12 VAL 5 -1.777 10.647 -6.306 32 HG13 VAL 5 HG13 VAL 5 -2.716 9.596 -5.218 33 HG21 VAL 5 HG21 VAL 5 -2.224 10.980 -2.310 34 HG22 VAL 5 HG22 VAL 5 -1.091 12.306 -2.671 35 HG23 VAL 5 HG23 VAL 5 -2.679 12.247 -3.475 36 H LEU 6 H LEU 6 -1.600 7.226 -4.560 37 HA LEU 6 HA LEU 6 0.701 6.829 -6.327 38 HB2 LEU 6 HB2 LEU 6 -1.326 4.860 -5.257 39 HB3 LEU 6 HB3 LEU 6 0.008 4.469 -6.325 40 HG LEU 6 HG LEU 6 0.414 5.694 -3.589 41 HD11 LEU 6 HD11 LEU 6 0.905 3.424 -2.770 42 HD12 LEU 6 HD12 LEU 6 -0.790 3.609 -3.279 43 HD13 LEU 6 HD13 LEU 6 0.366 2.755 -4.329 44 HD21 LEU 6 HD21 LEU 6 2.635 5.456 -3.908 45 HD22 LEU 6 HD22 LEU 6 2.455 3.957 -4.851 46 HD23 LEU 6 HD23 LEU 6 2.176 5.535 -5.626 47 H LYS 7 H LYS 7 0.266 7.861 -8.238 48 HA LYS 7 HA LYS 7 -2.226 8.307 -9.301 49 HB2 LYS 7 HB2 LYS 7 -1.101 8.908 -11.301 50 HB3 LYS 7 HB3 LYS 7 -0.038 9.343 -9.979 51 HG2 LYS 7 HG2 LYS 7 1.459 8.248 -11.406 52 HG3 LYS 7 HG3 LYS 7 0.994 6.933 -10.345 53 HD2 LYS 7 HD2 LYS 7 -0.989 6.851 -12.314 54 HD3 LYS 7 HD3 LYS 7 0.433 7.311 -13.228 55 HE2 LYS 7 HE2 LYS 7 1.375 5.282 -11.515 56 HE3 LYS 7 HE3 LYS 7 -0.221 4.726 -11.974 57 HZ1 LYS 7 HZ1 LYS 7 1.486 5.770 -14.112 58 HZ2 LYS 7 HZ2 LYS 7 1.867 4.305 -13.513 59 H ALA 8 H ALA 8 -3.613 7.215 -10.714 60 HA ALA 8 HA ALA 8 -2.824 4.605 -11.670 61 HB1 ALA 8 HB1 ALA 8 -3.579 4.021 -9.444 62 HB2 ALA 8 HB2 ALA 8 -5.046 5.013 -9.631 63 HB3 ALA 8 HB3 ALA 8 -4.840 3.537 -10.603 64 H LYS 9 H LYS 9 -4.051 3.967 -13.486 65 HA LYS 9 HA LYS 9 -5.505 6.133 -14.695 66 HB2 LYS 9 HB2 LYS 9 -5.456 4.775 -16.687 67 HB3 LYS 9 HB3 LYS 9 -3.864 4.785 -15.956 68 HG2 LYS 9 HG2 LYS 9 -4.065 2.557 -15.162 69 HG3 LYS 9 HG3 LYS 9 -5.815 2.578 -15.241 70 HD2 LYS 9 HD2 LYS 9 -5.719 2.625 -17.731 71 HD3 LYS 9 HD3 LYS 9 -3.968 2.655 -17.674 72 HE2 LYS 9 HE2 LYS 9 -3.806 0.411 -17.180 73 HE3 LYS 9 HE3 LYS 9 -5.191 0.438 -16.108 74 HZ1 LYS 9 HZ1 LYS 9 -6.134 -0.663 -17.851 75 HZ2 LYS 9 HZ2 LYS 9 -6.397 0.827 -18.454 76 H ASN 10 H ASN 10 -6.352 4.123 -12.293 77 HA ASN 10 HA ASN 10 -9.066 3.945 -13.327 78 HB2 ASN 10 HB2 ASN 10 -7.515 1.707 -12.928 79 HB3 ASN 10 HB3 ASN 10 -8.196 1.881 -11.323 80 HD21 ASN 10 HD21 ASN 10 -9.808 0.540 -11.092 81 HD22 ASN 10 HD22 ASN 10 -11.099 0.244 -12.209 82 H GLY 11 H GLY 11 -7.604 5.957 -11.639 83 HA2 GLY 11 HA2 GLY 11 -8.649 7.233 -9.950 84 HA3 GLY 11 HA3 GLY 11 -9.290 5.768 -9.233 85 H ASP 12 H ASP 12 -6.917 8.142 -8.935 86 HA ASP 12 HA ASP 12 -4.646 6.842 -8.259 87 HB2 ASP 12 HB2 ASP 12 -4.106 8.806 -6.891 88 HB3 ASP 12 HB3 ASP 12 -4.930 9.317 -8.351 89 HD2 ASP 12 HD2 ASP 12 -7.179 9.870 -8.062 90 H VAL 13 H VAL 13 -3.747 6.296 -6.043 91 HA VAL 13 HA VAL 13 -5.892 5.475 -4.208 92 HB VAL 13 HB VAL 13 -3.235 4.143 -4.769 93 HG11 VAL 13 HG11 VAL 13 -4.166 2.306 -3.347 94 HG12 VAL 13 HG12 VAL 13 -3.842 3.815 -2.459 95 HG13 VAL 13 HG13 VAL 13 -5.510 3.387 -2.908 96 HG21 VAL 13 HG21 VAL 13 -6.048 3.580 -5.697 97 HG22 VAL 13 HG22 VAL 13 -4.537 3.632 -6.637 98 HG23 VAL 13 HG23 VAL 13 -4.858 2.265 -5.543 99 H LYS 14 H LYS 14 -5.807 6.293 -2.167 100 HA LYS 14 HA LYS 14 -3.533 8.002 -1.566 101 HB2 LYS 14 HB2 LYS 14 -5.967 8.744 -1.393 102 HB3 LYS 14 HB3 LYS 14 -6.098 7.700 0.008 103 HG2 LYS 14 HG2 LYS 14 -5.549 10.028 0.676 104 HG3 LYS 14 HG3 LYS 14 -4.274 8.920 1.143 105 HD2 LYS 14 HD2 LYS 14 -2.745 9.887 -0.260 106 HD3 LYS 14 HD3 LYS 14 -3.891 10.015 -1.579 107 HE2 LYS 14 HE2 LYS 14 -4.550 11.835 0.652 108 HE3 LYS 14 HE3 LYS 14 -2.950 12.135 0.002 109 HZ1 LYS 14 HZ1 LYS 14 -4.168 13.327 -1.499 110 HZ2 LYS 14 HZ2 LYS 14 -4.334 11.896 -2.259 111 H PHE 15 H PHE 15 -1.809 7.021 -0.648 112 HA PHE 15 HA PHE 15 -2.385 4.864 1.252 113 HB2 PHE 15 HB2 PHE 15 -0.973 4.252 -0.695 114 HB3 PHE 15 HB3 PHE 15 0.021 5.679 -0.478 115 HD1 PHE 15 HD1 PHE 15 1.465 5.829 1.612 116 HD2 PHE 15 HD2 PHE 15 -0.426 2.235 0.381 117 HE1 PHE 15 HE1 PHE 15 3.059 4.505 3.029 118 HE2 PHE 15 HE2 PHE 15 1.167 0.911 1.798 119 HZ PHE 15 HZ PHE 15 2.891 2.062 3.105 120 HA PRO 16 HA PRO 16 -0.893 7.757 4.287 121 HB2 PRO 16 HB2 PRO 16 -1.782 6.360 6.460 122 HB3 PRO 16 HB3 PRO 16 -2.904 7.209 5.347 123 HG2 PRO 16 HG2 PRO 16 -2.489 4.107 5.439 124 HG3 PRO 16 HG3 PRO 16 -3.705 5.405 5.207 125 HD2 PRO 16 HD2 PRO 16 -2.023 4.014 3.214 126 HD3 PRO 16 HD3 PRO 16 -3.345 5.187 2.932 127 H HIS 17 H HIS 17 1.416 7.526 4.020 128 HA HIS 17 HA HIS 17 2.623 5.072 4.872 129 HB2 HIS 17 HB2 HIS 17 3.446 6.411 2.946 130 HB3 HIS 17 HB3 HIS 17 3.885 7.701 4.048 131 HD1 HIS 17 HD1 HIS 17 5.823 7.108 5.846 132 HD2 HIS 17 HD2 HIS 17 5.324 4.394 2.687 133 HE1 HIS 17 HE1 HIS 17 7.941 5.687 5.784 134 H LYS 18 H LYS 18 1.139 5.878 6.997 135 HA LYS 18 HA LYS 18 3.225 6.660 8.876 136 HB2 LYS 18 HB2 LYS 18 2.353 8.754 8.851 137 HB3 LYS 18 HB3 LYS 18 0.800 8.235 8.229 138 HG2 LYS 18 HG2 LYS 18 -0.049 7.731 10.349 139 HG3 LYS 18 HG3 LYS 18 1.528 7.361 11.017 140 HD2 LYS 18 HD2 LYS 18 1.718 10.084 10.308 141 HD3 LYS 18 HD3 LYS 18 0.092 9.929 10.942 142 HE2 LYS 18 HE2 LYS 18 0.860 9.134 13.064 143 HE3 LYS 18 HE3 LYS 18 2.445 8.721 12.439 144 HZ1 LYS 18 HZ1 LYS 18 1.395 11.482 12.761 145 HZ2 LYS 18 HZ2 LYS 18 2.555 10.792 13.672 146 H ALA 19 H ALA 19 -0.350 5.990 8.850 147 HA ALA 19 HA ALA 19 -0.366 4.578 11.217 148 HB1 ALA 19 HB1 ALA 19 -2.161 4.091 8.811 149 HB2 ALA 19 HB2 ALA 19 -2.557 3.853 10.530 150 HB3 ALA 19 HB3 ALA 19 -2.320 5.497 9.891 151 H HIS 20 H HIS 20 0.813 3.683 8.031 152 HA HIS 20 HA HIS 20 0.651 0.873 8.530 153 HB2 HIS 20 HB2 HIS 20 1.801 2.609 6.358 154 HB3 HIS 20 HB3 HIS 20 2.215 0.907 6.434 155 HD1 HIS 20 HD1 HIS 20 -0.617 3.242 5.651 156 HD2 HIS 20 HD2 HIS 20 0.083 -0.889 5.850 157 HE1 HIS 20 HE1 HIS 20 -2.611 2.124 4.518 158 H GLN 21 H GLN 21 2.419 3.241 9.983 159 HA GLN 21 HA GLN 21 4.897 1.748 9.963 160 HB2 GLN 21 HB2 GLN 21 4.158 4.469 11.123 161 HB3 GLN 21 HB3 GLN 21 5.741 3.739 11.304 162 HG2 GLN 21 HG2 GLN 21 6.201 3.849 8.964 163 HG3 GLN 21 HG3 GLN 21 4.510 4.043 8.545 164 HE21 GLN 21 HE21 GLN 21 6.477 5.707 7.577 165 HE22 GLN 21 HE22 GLN 21 6.285 7.308 8.208 166 H LYS 22 H LYS 22 2.534 3.166 12.337 167 HA LYS 22 HA LYS 22 3.668 1.821 14.540 168 HB2 LYS 22 HB2 LYS 22 1.041 3.239 14.070 169 HB3 LYS 22 HB3 LYS 22 1.419 2.469 15.597 170 HG2 LYS 22 HG2 LYS 22 3.572 4.227 14.499 171 HG3 LYS 22 HG3 LYS 22 2.100 5.058 14.963 172 HD2 LYS 22 HD2 LYS 22 2.617 3.205 17.063 173 HD3 LYS 22 HD3 LYS 22 4.174 3.904 16.667 174 HE2 LYS 22 HE2 LYS 22 3.589 5.734 17.874 175 HE3 LYS 22 HE3 LYS 22 2.397 6.105 16.644 176 HZ1 LYS 22 HZ1 LYS 22 1.411 4.077 18.372 177 HZ2 LYS 22 HZ2 LYS 22 1.876 5.362 19.258 178 H ALA 23 H ALA 23 1.483 0.883 11.957 179 HA ALA 23 HA ALA 23 0.440 -1.366 13.436 180 HB1 ALA 23 HB1 ALA 23 -1.150 -0.527 11.967 181 HB2 ALA 23 HB2 ALA 23 0.056 -0.128 10.720 182 HB3 ALA 23 HB3 ALA 23 -0.435 -1.820 10.974 183 H VAL 24 H VAL 24 3.080 -0.568 11.212 184 HA VAL 24 HA VAL 24 4.010 -3.319 11.495 185 HB VAL 24 HB VAL 24 3.837 -1.810 8.879 186 HG11 VAL 24 HG11 VAL 24 5.868 -3.088 8.901 187 HG12 VAL 24 HG12 VAL 24 5.034 -4.511 9.571 188 HG13 VAL 24 HG13 VAL 24 4.683 -3.973 7.911 189 HG21 VAL 24 HG21 VAL 24 2.401 -4.330 9.782 190 HG22 VAL 24 HG22 VAL 24 1.667 -2.716 9.620 191 HG23 VAL 24 HG23 VAL 24 2.282 -3.563 8.180 192 HA PRO 25 HA PRO 25 6.810 0.241 12.852 193 HB2 PRO 25 HB2 PRO 25 7.508 -2.241 14.488 194 HB3 PRO 25 HB3 PRO 25 7.558 -0.504 14.936 195 HG2 PRO 25 HG2 PRO 25 5.154 -1.906 15.683 196 HG3 PRO 25 HG3 PRO 25 5.524 -0.311 14.949 197 HD2 PRO 25 HD2 PRO 25 4.628 -2.921 13.589 198 HD3 PRO 25 HD3 PRO 25 3.872 -1.302 13.479 199 H ASP 26 H ASP 26 7.163 -3.138 11.687 200 HA ASP 26 HA ASP 26 9.954 -2.836 11.292 201 HB2 ASP 26 HB2 ASP 26 8.886 -5.048 11.679 202 HB3 ASP 26 HB3 ASP 26 7.946 -4.869 10.210 203 HD2 ASP 26 HD2 ASP 26 10.831 -5.973 11.446 204 H CYS 27 H CYS 27 10.712 -1.483 9.653 205 HA CYS 27 HA CYS 27 9.002 -0.848 7.447 206 HB2 CYS 27 HB2 CYS 27 11.879 -0.026 7.613 207 HB3 CYS 27 HB3 CYS 27 10.516 0.823 6.910 208 H LYS 28 H LYS 28 11.240 -3.317 8.293 209 HA LYS 28 HA LYS 28 12.311 -3.721 5.666 210 HB2 LYS 28 HB2 LYS 28 12.430 -5.303 8.244 211 HB3 LYS 28 HB3 LYS 28 13.168 -5.854 6.753 212 HG2 LYS 28 HG2 LYS 28 14.011 -3.171 6.971 213 HG3 LYS 28 HG3 LYS 28 14.073 -3.765 8.618 214 HD2 LYS 28 HD2 LYS 28 15.645 -5.460 8.095 215 HD3 LYS 28 HD3 LYS 28 15.228 -5.464 6.393 216 HE2 LYS 28 HE2 LYS 28 16.102 -2.841 6.780 217 HE3 LYS 28 HE3 LYS 28 17.150 -3.744 7.856 218 HZ1 LYS 28 HZ1 LYS 28 17.337 -3.588 5.079 219 HZ2 LYS 28 HZ2 LYS 28 18.277 -4.471 6.073 220 H LYS 29 H LYS 29 9.254 -4.088 6.971 221 HA LYS 29 HA LYS 29 8.581 -6.655 6.003 222 HB2 LYS 29 HB2 LYS 29 7.194 -4.326 7.190 223 HB3 LYS 29 HB3 LYS 29 6.211 -5.309 6.123 224 HG2 LYS 29 HG2 LYS 29 7.930 -6.551 8.310 225 HG3 LYS 29 HG3 LYS 29 6.301 -5.989 8.628 226 HD2 LYS 29 HD2 LYS 29 6.072 -7.524 6.258 227 HD3 LYS 29 HD3 LYS 29 7.184 -8.432 7.264 228 HE2 LYS 29 HE2 LYS 29 5.163 -7.598 9.055 229 HE3 LYS 29 HE3 LYS 29 4.291 -8.020 7.595 230 HZ1 LYS 29 HZ1 LYS 29 5.247 -10.199 7.635 231 HZ2 LYS 29 HZ2 LYS 29 6.318 -9.819 8.801 232 H CYS 30 H CYS 30 8.183 -3.299 4.696 233 HA CYS 30 HA CYS 30 7.400 -4.494 2.160 234 HB2 CYS 30 HB2 CYS 30 7.409 -1.546 2.855 235 HB3 CYS 30 HB3 CYS 30 6.583 -2.338 1.527 236 H HIS 31 H HIS 31 9.673 -2.034 3.586 237 HA HIS 31 HA HIS 31 11.187 -1.865 1.196 238 HB2 HIS 31 HB2 HIS 31 11.804 -0.947 4.018 239 HB3 HIS 31 HB3 HIS 31 12.737 -0.525 2.597 240 HD1 HIS 31 HD1 HIS 31 11.010 0.594 0.582 241 HD2 HIS 31 HD2 HIS 31 10.017 1.008 4.637 242 HE1 HIS 31 HE1 HIS 31 9.395 2.564 0.726 243 H GLU 32 H GLU 32 12.115 -3.757 0.484 244 HA GLU 32 HA GLU 32 13.273 -5.533 2.394 245 HB2 GLU 32 HB2 GLU 32 12.324 -5.683 -0.316 246 HB3 GLU 32 HB3 GLU 32 13.996 -6.208 -0.317 247 HG2 GLU 32 HG2 GLU 32 12.251 -7.265 1.891 248 HG3 GLU 32 HG3 GLU 32 11.934 -7.873 0.279 249 HE2 GLU 32 HE2 GLU 32 14.643 -7.411 2.473 250 H LYS 33 H LYS 33 14.429 -3.427 -0.323 251 HA LYS 33 HA LYS 33 17.168 -3.901 0.523 252 HB2 LYS 33 HB2 LYS 33 15.982 -2.454 -1.862 253 HB3 LYS 33 HB3 LYS 33 17.700 -2.566 -1.535 254 HG2 LYS 33 HG2 LYS 33 16.939 -5.217 -1.293 255 HG3 LYS 33 HG3 LYS 33 15.820 -4.656 -2.519 256 HD2 LYS 33 HD2 LYS 33 18.503 -3.621 -3.052 257 HD3 LYS 33 HD3 LYS 33 18.552 -5.364 -2.876 258 HE2 LYS 33 HE2 LYS 33 16.264 -4.382 -4.507 259 HE3 LYS 33 HE3 LYS 33 17.834 -4.021 -5.197 260 HZ1 LYS 33 HZ1 LYS 33 17.309 -6.169 -5.964 261 HZ2 LYS 33 HZ2 LYS 33 18.344 -6.476 -4.745 262 H GLY 34 H GLY 34 15.300 -2.528 2.335 263 HA2 GLY 34 HA2 GLY 34 15.700 -0.859 3.851 264 HA3 GLY 34 HA3 GLY 34 16.919 -0.167 2.799 265 HA PRO 35 HA PRO 35 12.759 2.234 2.943 266 HB2 PRO 35 HB2 PRO 35 14.143 4.611 3.562 267 HB3 PRO 35 HB3 PRO 35 13.342 3.524 4.743 268 HG2 PRO 35 HG2 PRO 35 16.049 3.578 3.768 269 HG3 PRO 35 HG3 PRO 35 15.945 3.422 5.552 270 HD2 PRO 35 HD2 PRO 35 16.361 1.178 4.415 271 HD3 PRO 35 HD3 PRO 35 14.756 1.218 5.204 272 H GLY 36 H GLY 36 12.073 3.465 1.119 273 HA2 GLY 36 HA2 GLY 36 13.111 5.161 -0.501 274 HA3 GLY 36 HA3 GLY 36 14.155 3.823 -0.936 275 H LYS 37 H LYS 37 13.135 4.196 -3.134 276 HA LYS 37 HA LYS 37 10.383 3.552 -3.448 277 HB2 LYS 37 HB2 LYS 37 12.694 4.172 -5.248 278 HB3 LYS 37 HB3 LYS 37 11.293 3.377 -5.939 279 HG2 LYS 37 HG2 LYS 37 10.355 5.443 -6.096 280 HG3 LYS 37 HG3 LYS 37 10.133 5.368 -4.359 281 HD2 LYS 37 HD2 LYS 37 11.545 7.124 -4.128 282 HD3 LYS 37 HD3 LYS 37 12.851 6.131 -4.744 283 HE2 LYS 37 HE2 LYS 37 10.929 7.400 -6.709 284 HE3 LYS 37 HE3 LYS 37 12.170 8.397 -5.977 285 HZ1 LYS 37 HZ1 LYS 37 13.408 6.036 -6.805 286 HZ2 LYS 37 HZ2 LYS 37 12.476 6.514 -8.052 287 H ILE 38 H ILE 38 9.501 1.658 -4.526 288 HA ILE 38 HA ILE 38 11.172 -0.697 -4.010 289 HB ILE 38 HB ILE 38 8.166 -0.417 -4.091 290 HG12 ILE 38 HG12 ILE 38 9.965 -0.918 -1.705 291 HG13 ILE 38 HG13 ILE 38 9.336 0.659 -2.138 292 HG21 ILE 38 HG21 ILE 38 8.559 -2.600 -4.794 293 HG22 ILE 38 HG22 ILE 38 9.988 -2.789 -3.750 294 HG23 ILE 38 HG23 ILE 38 8.360 -2.765 -3.033 295 HD11 ILE 38 HD11 ILE 38 7.874 -1.750 -1.084 296 HD12 ILE 38 HD12 ILE 38 7.675 -0.031 -0.667 297 HD13 ILE 38 HD13 ILE 38 6.998 -0.662 -2.188 298 H GLU 39 H GLU 39 11.993 -1.707 -5.755 299 HA GLU 39 HA GLU 39 10.979 -0.959 -8.322 300 HB2 GLU 39 HB2 GLU 39 13.294 -2.707 -7.406 301 HB3 GLU 39 HB3 GLU 39 12.875 -2.530 -9.098 302 HG2 GLU 39 HG2 GLU 39 13.212 -0.093 -8.982 303 HG3 GLU 39 HG3 GLU 39 13.468 -0.172 -7.250 304 HE2 GLU 39 HE2 GLU 39 16.830 -0.569 -7.798 305 H GLY 40 H GLY 40 9.794 -2.251 -9.747 306 HA2 GLY 40 HA2 GLY 40 9.044 -4.335 -10.537 307 HA3 GLY 40 HA3 GLY 40 9.276 -5.033 -8.946 308 H PHE 41 H PHE 41 8.037 -2.827 -7.427 309 HA PHE 41 HA PHE 41 5.549 -3.672 -7.064 310 HB2 PHE 41 HB2 PHE 41 6.807 -1.815 -5.861 311 HB3 PHE 41 HB3 PHE 41 6.520 -0.755 -7.227 312 HD1 PHE 41 HD1 PHE 41 4.955 -2.452 -4.372 313 HD2 PHE 41 HD2 PHE 41 4.373 0.283 -7.564 314 HE1 PHE 41 HE1 PHE 41 2.795 -1.703 -3.337 315 HE2 PHE 41 HE2 PHE 41 2.213 1.032 -6.529 316 HZ PHE 41 HZ PHE 41 1.449 0.030 -4.428 317 H GLY 42 H GLY 42 3.369 -2.763 -7.636 318 HA2 GLY 42 HA2 GLY 42 2.756 -1.096 -9.695 319 HA3 GLY 42 HA3 GLY 42 3.109 -2.613 -10.498 320 H LYS 43 H LYS 43 0.844 -2.742 -11.161 321 HA LYS 43 HA LYS 43 -1.267 -2.698 -9.340 322 HB2 LYS 43 HB2 LYS 43 -1.307 -2.502 -11.888 323 HB3 LYS 43 HB3 LYS 43 -1.202 -4.250 -11.936 324 HG2 LYS 43 HG2 LYS 43 -3.222 -3.850 -10.064 325 HG3 LYS 43 HG3 LYS 43 -3.487 -2.516 -11.168 326 HD2 LYS 43 HD2 LYS 43 -2.965 -4.768 -12.828 327 HD3 LYS 43 HD3 LYS 43 -4.020 -5.364 -11.561 328 HE2 LYS 43 HE2 LYS 43 -5.688 -3.635 -12.039 329 HE3 LYS 43 HE3 LYS 43 -4.603 -2.821 -13.148 330 HZ1 LYS 43 HZ1 LYS 43 -5.881 -4.106 -14.572 331 HZ2 LYS 43 HZ2 LYS 43 -4.632 -5.127 -14.350 332 H GLU 44 H GLU 44 -0.231 -5.690 -11.093 333 HA GLU 44 HA GLU 44 -1.341 -7.509 -9.583 334 HB2 GLU 44 HB2 GLU 44 1.415 -7.472 -10.836 335 HB3 GLU 44 HB3 GLU 44 0.874 -8.894 -9.967 336 HG2 GLU 44 HG2 GLU 44 0.383 -8.530 -12.606 337 HG3 GLU 44 HG3 GLU 44 -0.684 -9.458 -11.571 338 HE2 GLU 44 HE2 GLU 44 -0.903 -6.961 -13.771 339 H MET 45 H MET 45 1.523 -5.577 -8.645 340 HA MET 45 HA MET 45 2.107 -7.105 -6.365 341 HB2 MET 45 HB2 MET 45 3.405 -5.169 -7.778 342 HB3 MET 45 HB3 MET 45 2.743 -4.150 -6.515 343 HG2 MET 45 HG2 MET 45 4.768 -4.775 -5.527 344 HG3 MET 45 HG3 MET 45 3.715 -6.019 -4.885 345 HE1 MET 45 HE1 MET 45 7.377 -6.540 -5.828 346 HE2 MET 45 HE2 MET 45 6.201 -6.478 -4.494 347 HE3 MET 45 HE3 MET 45 6.677 -8.046 -5.188 348 H ALA 46 H ALA 46 0.525 -3.850 -6.772 349 HA ALA 46 HA ALA 46 -0.105 -3.425 -4.136 350 HB1 ALA 46 HB1 ALA 46 -0.333 -1.705 -5.819 351 HB2 ALA 46 HB2 ALA 46 -1.554 -2.656 -6.698 352 HB3 ALA 46 HB3 ALA 46 -1.937 -1.978 -5.098 353 H HIS 47 H HIS 47 -2.105 -5.052 -6.696 354 HA HIS 47 HA HIS 47 -4.136 -5.727 -4.855 355 HB2 HIS 47 HB2 HIS 47 -3.535 -6.886 -7.590 356 HB3 HIS 47 HB3 HIS 47 -5.032 -7.073 -6.700 357 HD1 HIS 47 HD1 HIS 47 -4.647 -5.642 -9.564 358 HD2 HIS 47 HD2 HIS 47 -5.165 -3.745 -5.858 359 HE1 HIS 47 HE1 HIS 47 -5.575 -3.320 -10.073 360 H GLY 48 H GLY 48 -1.132 -7.263 -6.006 361 HA2 GLY 48 HA2 GLY 48 -1.733 -9.853 -4.948 362 HA3 GLY 48 HA3 GLY 48 -0.188 -9.263 -5.528 363 H LYS 49 H LYS 49 1.264 -9.690 -3.900 364 HA LYS 49 HA LYS 49 0.443 -9.261 -1.158 365 HB2 LYS 49 HB2 LYS 49 2.725 -10.615 -2.545 366 HB3 LYS 49 HB3 LYS 49 2.964 -10.062 -0.900 367 HG2 LYS 49 HG2 LYS 49 1.010 -11.348 -0.126 368 HG3 LYS 49 HG3 LYS 49 0.609 -11.800 -1.771 369 HD2 LYS 49 HD2 LYS 49 1.812 -13.691 -1.276 370 HD3 LYS 49 HD3 LYS 49 3.189 -12.690 -1.690 371 HE2 LYS 49 HE2 LYS 49 3.936 -12.613 0.471 372 HE3 LYS 49 HE3 LYS 49 2.333 -12.306 1.111 373 HZ1 LYS 49 HZ1 LYS 49 1.977 -14.813 0.506 374 HZ2 LYS 49 HZ2 LYS 49 3.602 -14.901 0.571 375 H GLY 50 H GLY 50 0.380 -6.900 -2.741 376 HA2 GLY 50 HA2 GLY 50 2.789 -5.456 -1.821 377 HA3 GLY 50 HA3 GLY 50 1.777 -5.000 -3.178 378 H CYS 51 H CYS 51 -0.809 -5.113 -2.274 379 HA CYS 51 HA CYS 51 -0.766 -3.401 0.104 380 HB2 CYS 51 HB2 CYS 51 -2.473 -3.061 -2.372 381 HB3 CYS 51 HB3 CYS 51 -2.664 -2.151 -0.886 382 H LYS 52 H LYS 52 -3.524 -4.528 -1.921 383 HA LYS 52 HA LYS 52 -5.157 -5.310 0.060 384 HB2 LYS 52 HB2 LYS 52 -4.790 -6.316 -2.753 385 HB3 LYS 52 HB3 LYS 52 -6.002 -7.033 -1.710 386 HG2 LYS 52 HG2 LYS 52 -6.457 -4.338 -1.277 387 HG3 LYS 52 HG3 LYS 52 -5.933 -4.325 -2.949 388 HD2 LYS 52 HD2 LYS 52 -7.935 -6.429 -2.159 389 HD3 LYS 52 HD3 LYS 52 -8.507 -4.774 -2.237 390 HE2 LYS 52 HE2 LYS 52 -8.870 -5.506 -4.443 391 HE3 LYS 52 HE3 LYS 52 -7.316 -4.710 -4.587 392 HZ1 LYS 52 HZ1 LYS 52 -7.420 -6.997 -5.579 393 HZ2 LYS 52 HZ2 LYS 52 -6.214 -6.823 -4.498 394 H GLY 53 H GLY 53 -2.619 -7.358 -1.516 395 HA2 GLY 53 HA2 GLY 53 -2.908 -9.772 -0.493 396 HA3 GLY 53 HA3 GLY 53 -1.349 -8.972 -0.511 397 H CYS 54 H CYS 54 -0.969 -7.368 1.424 398 HA CYS 54 HA CYS 54 -0.988 -8.820 3.745 399 HB2 CYS 54 HB2 CYS 54 0.457 -6.835 3.224 400 HB3 CYS 54 HB3 CYS 54 -0.914 -5.793 3.549 401 H HIS 55 H HIS 55 -3.291 -6.331 2.492 402 HA HIS 55 HA HIS 55 -4.858 -6.069 4.732 403 HB2 HIS 55 HB2 HIS 55 -5.502 -5.873 1.785 404 HB3 HIS 55 HB3 HIS 55 -6.677 -5.497 3.029 405 HD1 HIS 55 HD1 HIS 55 -6.301 -3.110 1.522 406 HD2 HIS 55 HD2 HIS 55 -3.426 -4.193 4.378 407 HE1 HIS 55 HE1 HIS 55 -5.006 -0.983 2.075 408 H GLU 56 H GLU 56 -5.761 -8.072 1.833 409 HA GLU 56 HA GLU 56 -7.723 -9.454 3.176 410 HB2 GLU 56 HB2 GLU 56 -7.187 -11.208 1.240 411 HB3 GLU 56 HB3 GLU 56 -7.924 -9.660 0.879 412 HG2 GLU 56 HG2 GLU 56 -6.032 -8.839 -0.156 413 HG3 GLU 56 HG3 GLU 56 -4.942 -9.626 0.968 414 HE2 GLU 56 HE2 GLU 56 -6.024 -11.168 -2.472 415 H GLU 57 H GLU 57 -4.248 -9.743 3.302 416 HA GLU 57 HA GLU 57 -4.104 -12.455 3.945 417 HB2 GLU 57 HB2 GLU 57 -2.138 -11.229 3.187 418 HB3 GLU 57 HB3 GLU 57 -2.242 -10.117 4.538 419 HG2 GLU 57 HG2 GLU 57 -2.084 -12.357 5.992 420 HG3 GLU 57 HG3 GLU 57 -1.380 -13.015 4.529 421 HE2 GLU 57 HE2 GLU 57 0.444 -11.889 3.723 422 H MET 58 H MET 58 -4.119 -9.456 5.997 423 HA MET 58 HA MET 58 -4.427 -11.129 8.325 424 HB2 MET 58 HB2 MET 58 -4.193 -8.089 7.958 425 HB3 MET 58 HB3 MET 58 -4.237 -8.886 9.519 426 HG2 MET 58 HG2 MET 58 -2.211 -10.067 7.721 427 HG3 MET 58 HG3 MET 58 -1.934 -8.359 8.000 428 HE1 MET 58 HE1 MET 58 -1.239 -7.297 9.948 429 HE2 MET 58 HE2 MET 58 -2.661 -7.612 10.971 430 HE3 MET 58 HE3 MET 58 -1.029 -7.975 11.581 431 H LYS 59 H LYS 59 -6.468 -9.979 5.973 432 HA LYS 59 HA LYS 59 -8.660 -9.750 5.840 433 HB2 LYS 59 HB2 LYS 59 -8.394 -11.082 8.496 434 HB3 LYS 59 HB3 LYS 59 -9.941 -10.350 8.119 435 HG2 LYS 59 HG2 LYS 59 -10.242 -12.476 7.199 436 HG3 LYS 59 HG3 LYS 59 -9.668 -11.599 5.794 437 HD2 LYS 59 HD2 LYS 59 -7.858 -12.953 5.633 438 HD3 LYS 59 HD3 LYS 59 -7.362 -12.539 7.262 439 HE2 LYS 59 HE2 LYS 59 -8.691 -14.321 8.227 440 HE3 LYS 59 HE3 LYS 59 -9.547 -14.595 6.723 441 HZ1 LYS 59 HZ1 LYS 59 -7.923 -15.994 6.097 442 HZ2 LYS 59 HZ2 LYS 59 -6.769 -14.858 6.267 443 H LYS 60 H LYS 60 -6.634 -7.722 7.188 444 HA LYS 60 HA LYS 60 -8.744 -5.910 8.138 445 HB2 LYS 60 HB2 LYS 60 -5.818 -5.911 8.933 446 HB3 LYS 60 HB3 LYS 60 -7.064 -4.837 9.537 447 HG2 LYS 60 HG2 LYS 60 -7.973 -7.579 9.832 448 HG3 LYS 60 HG3 LYS 60 -6.362 -7.443 10.510 449 HD2 LYS 60 HD2 LYS 60 -7.172 -5.370 11.781 450 HD3 LYS 60 HD3 LYS 60 -8.793 -5.744 11.230 451 HE2 LYS 60 HE2 LYS 60 -8.230 -8.167 12.228 452 HE3 LYS 60 HE3 LYS 60 -7.047 -7.276 13.165 453 HZ1 LYS 60 HZ1 LYS 60 -9.240 -5.742 13.464 454 HZ2 LYS 60 HZ2 LYS 60 -9.933 -7.212 13.372 455 H GLY 61 H GLY 61 -8.702 -3.736 7.380 456 HA2 GLY 61 HA2 GLY 61 -7.830 -1.991 6.110 457 HA3 GLY 61 HA3 GLY 61 -6.731 -3.097 5.310 458 HA PRO 62 HA PRO 62 -10.670 -2.217 2.784 459 HB2 PRO 62 HB2 PRO 62 -9.511 -0.582 0.889 460 HB3 PRO 62 HB3 PRO 62 -10.192 0.028 2.432 461 HG2 PRO 62 HG2 PRO 62 -7.486 -0.688 1.708 462 HG3 PRO 62 HG3 PRO 62 -7.868 0.858 2.534 463 HD2 PRO 62 HD2 PRO 62 -6.903 -1.183 3.973 464 HD3 PRO 62 HD3 PRO 62 -8.332 -0.307 4.601 465 H THR 63 H THR 63 -11.040 -3.963 1.420 466 HA THR 63 HA THR 63 -8.769 -4.790 -0.264 467 HB THR 63 HB THR 63 -9.466 -7.127 0.162 468 HG1 THR 63 HG1 THR 63 -11.423 -7.436 1.254 469 HG21 THR 63 HG21 THR 63 -9.092 -5.345 2.598 470 HG22 THR 63 HG22 THR 63 -9.426 -7.081 2.806 471 HG23 THR 63 HG23 THR 63 -7.972 -6.553 1.924 472 H LYS 64 H LYS 64 -11.866 -3.467 -0.135 473 HA LYS 64 HA LYS 64 -12.673 -4.737 -2.635 474 HB2 LYS 64 HB2 LYS 64 -14.223 -2.813 -0.879 475 HB3 LYS 64 HB3 LYS 64 -14.845 -3.746 -2.226 476 HG2 LYS 64 HG2 LYS 64 -13.494 -5.532 -0.366 477 HG3 LYS 64 HG3 LYS 64 -14.648 -4.548 0.513 478 HD2 LYS 64 HD2 LYS 64 -15.847 -6.502 -0.240 479 HD3 LYS 64 HD3 LYS 64 -16.400 -5.166 -1.230 480 HE2 LYS 64 HE2 LYS 64 -15.534 -6.067 -3.149 481 HE3 LYS 64 HE3 LYS 64 -14.028 -6.513 -2.373 482 HZ1 LYS 64 HZ1 LYS 64 -14.903 -8.545 -1.704 483 HZ2 LYS 64 HZ2 LYS 64 -16.454 -8.050 -1.729 484 H CYS 65 H CYS 65 -13.369 -3.364 -4.462 485 HA CYS 65 HA CYS 65 -11.416 -1.401 -4.978 486 HB2 CYS 65 HB2 CYS 65 -13.865 -1.543 -6.658 487 HB3 CYS 65 HB3 CYS 65 -12.182 -1.399 -7.124 488 H GLY 66 H GLY 66 -11.934 0.917 -5.555 489 HA2 GLY 66 HA2 GLY 66 -13.169 2.846 -5.371 490 HA3 GLY 66 HA3 GLY 66 -14.414 1.991 -4.482 491 H GLU 67 H GLU 67 -12.561 0.708 -2.547 492 HA GLU 67 HA GLU 67 -12.481 2.850 -0.719 493 HB2 GLU 67 HB2 GLU 67 -12.610 0.081 -0.543 494 HB3 GLU 67 HB3 GLU 67 -10.976 0.402 0.003 495 HG2 GLU 67 HG2 GLU 67 -11.868 2.085 1.642 496 HG3 GLU 67 HG3 GLU 67 -13.498 1.726 1.110 497 HE2 GLU 67 HE2 GLU 67 -13.307 0.951 3.736 498 H CYS 68 H CYS 68 -10.292 1.602 -3.106 499 HA CYS 68 HA CYS 68 -8.070 2.971 -1.776 500 HB2 CYS 68 HB2 CYS 68 -8.233 0.416 -3.166 501 HB3 CYS 68 HB3 CYS 68 -7.017 1.452 -3.887 502 H HIS 69 H HIS 69 -9.719 2.285 -4.937 503 HA HIS 69 HA HIS 69 -8.358 4.533 -6.133 504 HB2 HIS 69 HB2 HIS 69 -10.374 2.579 -7.278 505 HB3 HIS 69 HB3 HIS 69 -9.519 3.806 -8.191 506 HD1 HIS 69 HD1 HIS 69 -6.754 3.534 -8.108 507 HD2 HIS 69 HD2 HIS 69 -9.075 0.170 -7.162 508 HE1 HIS 69 HE1 HIS 69 -5.216 1.513 -8.350 509 H LYS 70 H LYS 70 -9.117 6.496 -5.446 510 HA LYS 70 HA LYS 70 -12.036 6.802 -5.380 511 HB2 LYS 70 HB2 LYS 70 -9.824 8.143 -3.821 512 HB3 LYS 70 HB3 LYS 70 -11.422 8.848 -3.945 513 HG2 LYS 70 HG2 LYS 70 -11.950 6.159 -3.320 514 HG3 LYS 70 HG3 LYS 70 -10.522 6.520 -2.371 515 HD2 LYS 70 HD2 LYS 70 -11.814 8.721 -1.697 516 HD3 LYS 70 HD3 LYS 70 -13.236 7.875 -2.276 517 HE2 LYS 70 HE2 LYS 70 -13.354 6.955 -0.193 518 HE3 LYS 70 HE3 LYS 70 -12.020 5.933 -0.692 519 HZ1 LYS 70 HZ1 LYS 70 -11.987 8.161 1.133 520 HZ2 LYS 70 HZ2 LYS 70 -10.942 6.918 1.018 521 H LYS 71 H LYS 71 -12.884 7.810 -7.113 522 HA LYS 71 HA LYS 71 -11.137 9.251 -8.879 523 HB2 LYS 71 HB2 LYS 71 -13.011 9.312 -10.366 524 HB3 LYS 71 HB3 LYS 71 -12.922 7.707 -9.671 525 HG2 LYS 71 HG2 LYS 71 -14.839 8.001 -8.365 526 HG3 LYS 71 HG3 LYS 71 -14.618 9.734 -8.230 527 HD2 LYS 71 HD2 LYS 71 -16.382 9.710 -9.737 528 HD3 LYS 71 HD3 LYS 71 -15.049 9.670 -10.875 529 HE2 LYS 71 HE2 LYS 71 -16.263 7.867 -11.687 530 HE3 LYS 71 HE3 LYS 71 -15.267 7.015 -10.524 531 HZ1 LYS 71 HZ1 LYS 71 -17.037 6.896 -9.015 532 HZ2 LYS 71 HZ2 LYS 71 -17.871 8.123 -9.685
Contact the webmaster for help, if required. Thursday, May 23, 2024 1:58:41 PM GMT (wattos1)