NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598512 | 2n8i | 25850 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -16.151 -14.489 8.623 2 H2 GLY 1 H2 GLY 1 -15.092 -15.248 9.692 3 H3 GLY 1 H3 GLY 1 -15.980 -16.168 8.588 4 HA2 GLY 1 HA2 GLY 1 -13.722 -15.988 7.833 5 HA3 GLY 1 HA3 GLY 1 -14.816 -15.143 6.744 6 H GLY 2 H GLY 2 -12.656 -14.177 6.185 7 HA2 GLY 2 HA2 GLY 2 -12.361 -11.573 6.494 8 HA3 GLY 2 HA3 GLY 2 -11.614 -12.111 7.999 9 H SER 3 H SER 3 -11.567 -13.517 4.733 10 HA SER 3 HA SER 3 -8.821 -14.197 4.761 11 HB2 SER 3 HB2 SER 3 -10.697 -13.854 2.377 12 HB3 SER 3 HB3 SER 3 -9.148 -14.699 2.354 13 HG SER 3 HG SER 3 -11.537 -15.658 2.992 14 HA PRO 4 HA PRO 4 -6.790 -10.361 4.085 15 HB2 PRO 4 HB2 PRO 4 -4.938 -11.664 2.100 16 HB3 PRO 4 HB3 PRO 4 -4.562 -10.821 3.620 17 HG2 PRO 4 HG2 PRO 4 -4.389 -13.460 3.529 18 HG3 PRO 4 HG3 PRO 4 -5.106 -12.668 4.953 19 HD2 PRO 4 HD2 PRO 4 -6.525 -13.995 2.633 20 HD3 PRO 4 HD3 PRO 4 -6.834 -14.154 4.381 21 H ASP 5 H ASP 5 -7.410 -12.058 0.994 22 HA ASP 5 HA ASP 5 -7.310 -9.695 -0.624 23 HB2 ASP 5 HB2 ASP 5 -6.926 -12.139 -1.379 24 HB3 ASP 5 HB3 ASP 5 -8.674 -12.294 -1.422 25 H GLU 6 H GLU 6 -9.817 -11.383 1.110 26 HA GLU 6 HA GLU 6 -12.079 -9.945 0.078 27 HB2 GLU 6 HB2 GLU 6 -12.226 -12.207 1.110 28 HB3 GLU 6 HB3 GLU 6 -11.692 -11.547 2.653 29 HG2 GLU 6 HG2 GLU 6 -13.785 -10.109 2.650 30 HG3 GLU 6 HG3 GLU 6 -14.318 -11.016 1.229 31 H ASN 7 H ASN 7 -9.770 -9.506 2.726 32 HA ASN 7 HA ASN 7 -11.019 -7.328 4.081 33 HB2 ASN 7 HB2 ASN 7 -8.066 -8.112 3.928 34 HB3 ASN 7 HB3 ASN 7 -8.705 -6.888 5.020 35 HD21 ASN 7 HD21 ASN 7 -7.277 -9.378 5.600 36 HD22 ASN 7 HD22 ASN 7 -8.308 -10.288 6.654 37 H ILE 8 H ILE 8 -8.791 -7.608 1.364 38 HA ILE 8 HA ILE 8 -8.111 -4.947 0.887 39 HB ILE 8 HB ILE 8 -8.454 -7.295 -1.025 40 HG12 ILE 8 HG12 ILE 8 -5.950 -5.952 0.085 41 HG13 ILE 8 HG13 ILE 8 -6.655 -7.436 0.705 42 HG21 ILE 8 HG21 ILE 8 -7.295 -4.574 -1.721 43 HG22 ILE 8 HG22 ILE 8 -8.762 -5.289 -2.393 44 HG23 ILE 8 HG23 ILE 8 -7.189 -6.010 -2.743 45 HD11 ILE 8 HD11 ILE 8 -4.753 -7.931 -0.657 46 HD12 ILE 8 HD12 ILE 8 -5.431 -7.036 -2.014 47 HD13 ILE 8 HD13 ILE 8 -6.208 -8.522 -1.459 48 H ALA 9 H ALA 9 -11.000 -6.771 -0.118 49 HA ALA 9 HA ALA 9 -12.187 -4.899 -1.831 50 HB1 ALA 9 HB1 ALA 9 -12.990 -7.224 -1.607 51 HB2 ALA 9 HB2 ALA 9 -14.313 -6.080 -1.376 52 HB3 ALA 9 HB3 ALA 9 -13.581 -6.877 0.018 53 H LYS 10 H LYS 10 -12.260 -5.123 1.710 54 HA LYS 10 HA LYS 10 -14.001 -2.868 2.107 55 HB2 LYS 10 HB2 LYS 10 -13.838 -4.597 3.837 56 HB3 LYS 10 HB3 LYS 10 -12.112 -4.294 4.021 57 HG2 LYS 10 HG2 LYS 10 -12.581 -2.027 4.863 58 HG3 LYS 10 HG3 LYS 10 -14.315 -2.297 4.652 59 HD2 LYS 10 HD2 LYS 10 -14.267 -4.067 6.366 60 HD3 LYS 10 HD3 LYS 10 -12.514 -3.889 6.527 61 HE2 LYS 10 HE2 LYS 10 -12.824 -1.566 7.306 62 HE3 LYS 10 HE3 LYS 10 -14.573 -1.746 7.156 63 HZ1 LYS 10 HZ1 LYS 10 -12.807 -3.285 8.977 64 HZ2 LYS 10 HZ2 LYS 10 -14.473 -3.499 8.825 65 HZ3 LYS 10 HZ3 LYS 10 -13.862 -2.042 9.423 66 H PHE 11 H PHE 11 -10.467 -3.357 2.038 67 HA PHE 11 HA PHE 11 -9.722 -0.783 3.002 68 HB2 PHE 11 HB2 PHE 11 -8.115 -2.811 1.396 69 HB3 PHE 11 HB3 PHE 11 -7.427 -1.360 2.116 70 HD1 PHE 11 HD2 PHE 11 -9.107 -1.586 4.783 71 HD2 PHE 11 HD1 PHE 11 -6.683 -4.359 2.584 72 HE1 PHE 11 HE2 PHE 11 -8.638 -2.837 6.849 73 HE2 PHE 11 HE1 PHE 11 -6.224 -5.590 4.664 74 HZ PHE 11 HZ PHE 11 -7.195 -4.833 6.791 75 H GLU 12 H GLU 12 -10.558 -1.938 -0.181 76 HA GLU 12 HA GLU 12 -9.546 0.284 -1.705 77 HB2 GLU 12 HB2 GLU 12 -11.654 -1.831 -2.351 78 HB3 GLU 12 HB3 GLU 12 -11.078 -0.629 -3.507 79 HG2 GLU 12 HG2 GLU 12 -8.822 -1.543 -3.413 80 HG3 GLU 12 HG3 GLU 12 -9.297 -2.679 -2.153 81 H LYS 13 H LYS 13 -12.645 -0.543 -0.177 82 HA LYS 13 HA LYS 13 -14.118 1.753 -0.963 83 HB2 LYS 13 HB2 LYS 13 -15.221 -0.242 -0.006 84 HB3 LYS 13 HB3 LYS 13 -14.377 0.001 1.523 85 HG2 LYS 13 HG2 LYS 13 -15.573 2.228 1.725 86 HG3 LYS 13 HG3 LYS 13 -16.525 1.779 0.312 87 HD2 LYS 13 HD2 LYS 13 -16.442 0.273 2.953 88 HD3 LYS 13 HD3 LYS 13 -17.730 1.356 2.431 89 HE2 LYS 13 HE2 LYS 13 -18.238 -0.174 0.548 90 HE3 LYS 13 HE3 LYS 13 -16.955 -1.261 1.095 91 HZ1 LYS 13 HZ1 LYS 13 -19.135 -1.981 1.859 92 HZ2 LYS 13 HZ2 LYS 13 -19.367 -0.520 2.665 93 HZ3 LYS 13 HZ3 LYS 13 -18.150 -1.574 3.171 94 H ALA 14 H ALA 14 -12.104 0.994 1.855 95 HA ALA 14 HA ALA 14 -12.346 3.443 3.256 96 HB1 ALA 14 HB1 ALA 14 -10.409 2.641 4.559 97 HB2 ALA 14 HB2 ALA 14 -10.126 1.364 3.370 98 HB3 ALA 14 HB3 ALA 14 -11.604 1.364 4.336 99 H TYR 15 H TYR 15 -10.224 2.358 0.657 100 HA TYR 15 HA TYR 15 -8.392 4.525 0.680 101 HB2 TYR 15 HB2 TYR 15 -7.798 2.499 -0.541 102 HB3 TYR 15 HB3 TYR 15 -9.219 2.638 -1.576 103 HD1 TYR 15 HD2 TYR 15 -6.237 4.739 -0.585 104 HD2 TYR 15 HD1 TYR 15 -8.826 3.498 -3.747 105 HE1 TYR 15 HE2 TYR 15 -4.965 6.110 -2.169 106 HE2 TYR 15 HE1 TYR 15 -7.557 4.872 -5.325 107 HH TYR 15 HH TYR 15 -6.102 6.911 -5.220 108 H LYS 16 H LYS 16 -11.445 3.937 -1.033 109 HA LYS 16 HA LYS 16 -11.505 6.343 -2.529 110 HB2 LYS 16 HB2 LYS 16 -13.627 4.336 -1.682 111 HB3 LYS 16 HB3 LYS 16 -14.066 5.779 -2.593 112 HG2 LYS 16 HG2 LYS 16 -11.959 3.821 -3.568 113 HG3 LYS 16 HG3 LYS 16 -13.675 3.646 -3.952 114 HD2 LYS 16 HD2 LYS 16 -13.722 5.652 -5.232 115 HD3 LYS 16 HD3 LYS 16 -12.202 6.237 -4.555 116 HE2 LYS 16 HE2 LYS 16 -12.368 3.782 -6.337 117 HE3 LYS 16 HE3 LYS 16 -12.101 5.414 -6.952 118 HZ1 LYS 16 HZ1 LYS 16 -10.358 4.012 -4.998 119 HZ2 LYS 16 HZ2 LYS 16 -10.101 5.571 -5.607 120 HZ3 LYS 16 HZ3 LYS 16 -10.023 4.234 -6.641 121 H LYS 17 H LYS 17 -12.469 5.575 0.762 122 HA LYS 17 HA LYS 17 -13.843 8.029 1.317 123 HB2 LYS 17 HB2 LYS 17 -14.124 5.885 2.621 124 HB3 LYS 17 HB3 LYS 17 -12.517 6.132 3.301 125 HG2 LYS 17 HG2 LYS 17 -13.233 8.163 4.419 126 HG3 LYS 17 HG3 LYS 17 -14.793 8.122 3.590 127 HD2 LYS 17 HD2 LYS 17 -15.245 5.910 4.768 128 HD3 LYS 17 HD3 LYS 17 -13.785 6.205 5.724 129 HE2 LYS 17 HE2 LYS 17 -15.820 6.921 6.930 130 HE3 LYS 17 HE3 LYS 17 -14.761 8.290 6.588 131 HZ1 LYS 17 HZ1 LYS 17 -16.156 8.874 4.714 132 HZ2 LYS 17 HZ2 LYS 17 -17.077 8.806 6.121 133 HZ3 LYS 17 HZ3 LYS 17 -17.162 7.550 4.997 134 H ALA 18 H ALA 18 -10.544 6.837 1.799 135 HA ALA 18 HA ALA 18 -9.375 9.107 3.013 136 HB1 ALA 18 HB1 ALA 18 -8.139 7.004 1.199 137 HB2 ALA 18 HB2 ALA 18 -8.342 6.876 2.947 138 HB3 ALA 18 HB3 ALA 18 -7.257 8.097 2.276 139 H GLU 19 H GLU 19 -10.054 8.239 -0.331 140 HA GLU 19 HA GLU 19 -8.265 10.077 -1.633 141 HB2 GLU 19 HB2 GLU 19 -8.839 7.825 -2.542 142 HB3 GLU 19 HB3 GLU 19 -10.509 8.339 -2.755 143 HG2 GLU 19 HG2 GLU 19 -9.737 10.056 -4.391 144 HG3 GLU 19 HG3 GLU 19 -8.087 9.450 -4.213 145 H GLU 20 H GLU 20 -11.785 9.921 -1.044 146 HA GLU 20 HA GLU 20 -12.487 12.258 -2.532 147 HB2 GLU 20 HB2 GLU 20 -14.656 12.159 -1.353 148 HB3 GLU 20 HB3 GLU 20 -14.185 10.564 -1.930 149 HG2 GLU 20 HG2 GLU 20 -13.416 9.972 0.345 150 HG3 GLU 20 HG3 GLU 20 -13.905 11.563 0.919 151 H LEU 21 H LEU 21 -11.412 11.682 0.760 152 HA LEU 21 HA LEU 21 -11.727 14.422 1.648 153 HB2 LEU 21 HB2 LEU 21 -10.330 12.032 2.907 154 HB3 LEU 21 HB3 LEU 21 -10.570 13.579 3.708 155 HG LEU 21 HG LEU 21 -12.781 11.670 2.834 156 HD11 LEU 21 HD11 LEU 21 -13.180 11.298 5.224 157 HD12 LEU 21 HD12 LEU 21 -11.795 12.321 5.629 158 HD13 LEU 21 HD13 LEU 21 -11.553 10.807 4.754 159 HD21 LEU 21 HD21 LEU 21 -13.022 14.309 4.314 160 HD22 LEU 21 HD22 LEU 21 -14.334 13.167 4.007 161 HD23 LEU 21 HD23 LEU 21 -13.547 13.980 2.659 162 H ASN 22 H ASN 22 -9.427 12.709 -0.179 163 HA ASN 22 HA ASN 22 -7.511 13.269 -1.225 164 HB2 ASN 22 HB2 ASN 22 -8.123 16.073 -0.199 165 HB3 ASN 22 HB3 ASN 22 -6.891 15.706 -1.399 166 HD21 ASN 22 HD21 ASN 22 -8.350 13.767 -2.907 167 HD22 ASN 22 HD22 ASN 22 -9.632 14.597 -3.708 168 H GLN 23 H GLN 23 -7.484 12.424 1.591 169 HA GLN 23 HA GLN 23 -5.165 13.796 2.782 170 HB2 GLN 23 HB2 GLN 23 -6.989 11.643 3.969 171 HB3 GLN 23 HB3 GLN 23 -5.717 12.518 4.831 172 HG2 GLN 23 HG2 GLN 23 -6.966 14.647 4.391 173 HG3 GLN 23 HG3 GLN 23 -8.273 13.693 3.693 174 HE21 GLN 23 HE21 GLN 23 -9.487 12.328 5.099 175 HE22 GLN 23 HE22 GLN 23 -9.532 12.609 6.799 176 H GLY 24 H GLY 24 -3.491 13.071 1.559 177 HA2 GLY 24 HA2 GLY 24 -3.242 10.532 0.398 178 HA3 GLY 24 HA3 GLY 24 -1.978 11.730 0.539 179 H GLU 25 H GLU 25 -2.292 11.596 3.584 180 HA GLU 25 HA GLU 25 -0.453 9.547 4.199 181 HB2 GLU 25 HB2 GLU 25 -1.032 9.960 6.577 182 HB3 GLU 25 HB3 GLU 25 -0.717 11.451 5.702 183 HG2 GLU 25 HG2 GLU 25 -3.109 11.943 5.578 184 HG3 GLU 25 HG3 GLU 25 -3.493 10.392 6.331 185 H LEU 26 H LEU 26 -3.999 9.692 4.441 186 HA LEU 26 HA LEU 26 -4.434 7.034 5.415 187 HB2 LEU 26 HB2 LEU 26 -6.245 9.087 4.085 188 HB3 LEU 26 HB3 LEU 26 -6.840 7.546 4.675 189 HG LEU 26 HG LEU 26 -5.550 9.650 6.464 190 HD11 LEU 26 HD11 LEU 26 -7.635 10.512 5.496 191 HD12 LEU 26 HD12 LEU 26 -7.833 10.177 7.214 192 HD13 LEU 26 HD13 LEU 26 -8.497 9.062 6.015 193 HD21 LEU 26 HD21 LEU 26 -7.133 7.144 7.115 194 HD22 LEU 26 HD22 LEU 26 -6.539 8.323 8.291 195 HD23 LEU 26 HD23 LEU 26 -5.394 7.367 7.352 196 H MET 27 H MET 27 -4.487 8.586 2.226 197 HA MET 27 HA MET 27 -5.555 6.482 0.672 198 HB2 MET 27 HB2 MET 27 -3.693 8.761 -0.140 199 HB3 MET 27 HB3 MET 27 -4.586 7.749 -1.272 200 HG2 MET 27 HG2 MET 27 -6.668 8.653 -0.594 201 HG3 MET 27 HG3 MET 27 -5.976 9.377 0.855 202 HE1 MET 27 HE1 MET 27 -5.297 11.005 -3.407 203 HE2 MET 27 HE2 MET 27 -6.396 9.677 -3.041 204 HE3 MET 27 HE3 MET 27 -4.650 9.447 -2.895 205 H GLY 28 H GLY 28 -2.242 7.378 1.498 206 HA2 GLY 28 HA2 GLY 28 -0.850 5.394 0.045 207 HA3 GLY 28 HA3 GLY 28 -0.256 6.279 1.443 208 H ARG 29 H ARG 29 -1.879 5.550 3.492 209 HA ARG 29 HA ARG 29 -0.869 3.040 4.296 210 HB2 ARG 29 HB2 ARG 29 -3.188 4.642 5.459 211 HB3 ARG 29 HB3 ARG 29 -2.476 3.231 6.240 212 HG2 ARG 29 HG2 ARG 29 -0.358 4.385 6.532 213 HG3 ARG 29 HG3 ARG 29 -0.932 5.760 5.588 214 HD2 ARG 29 HD2 ARG 29 -2.810 5.941 7.387 215 HD3 ARG 29 HD3 ARG 29 -1.768 4.899 8.361 216 HE ARG 29 HE ARG 29 -0.011 6.738 7.890 217 HH11 ARG 29 HH11 ARG 29 -3.450 7.386 8.337 218 HH12 ARG 29 HH12 ARG 29 -3.184 8.991 8.945 219 HH21 ARG 29 HH21 ARG 29 0.302 8.857 8.685 220 HH22 ARG 29 HH22 ARG 29 -1.075 9.818 9.141 221 H ALA 30 H ALA 30 -3.882 3.907 2.718 222 HA ALA 30 HA ALA 30 -5.388 1.563 3.249 223 HB1 ALA 30 HB1 ALA 30 -6.855 2.342 1.428 224 HB2 ALA 30 HB2 ALA 30 -5.628 3.516 0.932 225 HB3 ALA 30 HB3 ALA 30 -6.415 3.672 2.504 226 H LEU 31 H LEU 31 -3.505 2.560 0.367 227 HA LEU 31 HA LEU 31 -3.734 0.081 -1.031 228 HB2 LEU 31 HB2 LEU 31 -1.704 2.329 -1.352 229 HB3 LEU 31 HB3 LEU 31 -1.923 1.010 -2.493 230 HG LEU 31 HG LEU 31 -4.004 3.143 -1.847 231 HD11 LEU 31 HD11 LEU 31 -3.573 4.003 -4.102 232 HD12 LEU 31 HD12 LEU 31 -2.299 2.801 -4.334 233 HD13 LEU 31 HD13 LEU 31 -2.115 4.061 -3.110 234 HD21 LEU 31 HD21 LEU 31 -5.294 2.204 -3.723 235 HD22 LEU 31 HD22 LEU 31 -5.086 1.026 -2.430 236 HD23 LEU 31 HD23 LEU 31 -4.112 0.901 -3.899 237 H TYR 32 H TYR 32 -1.482 1.354 1.324 238 HA TYR 32 HA TYR 32 0.648 -0.485 1.041 239 HB2 TYR 32 HB2 TYR 32 0.944 1.627 2.250 240 HB3 TYR 32 HB3 TYR 32 -0.274 1.173 3.436 241 HD1 TYR 32 HD2 TYR 32 2.960 -0.161 2.043 242 HD2 TYR 32 HD1 TYR 32 0.536 0.400 5.519 243 HE1 TYR 32 HE2 TYR 32 4.724 -1.146 3.434 244 HE2 TYR 32 HE1 TYR 32 2.306 -0.586 6.912 245 HH TYR 32 HH TYR 32 5.477 -1.220 5.698 246 H ASN 33 H ASN 33 -2.247 -0.460 3.147 247 HA ASN 33 HA ASN 33 -1.786 -2.875 4.540 248 HB2 ASN 33 HB2 ASN 33 -4.405 -1.435 3.916 249 HB3 ASN 33 HB3 ASN 33 -4.306 -2.842 4.973 250 HD21 ASN 33 HD21 ASN 33 -5.177 -0.119 5.567 251 HD22 ASN 33 HD22 ASN 33 -4.185 0.435 6.868 252 H ILE 34 H ILE 34 -3.609 -2.162 1.566 253 HA ILE 34 HA ILE 34 -4.545 -4.698 0.885 254 HB ILE 34 HB ILE 34 -3.635 -2.408 -0.919 255 HG12 ILE 34 HG12 ILE 34 -6.448 -3.260 -0.089 256 HG13 ILE 34 HG13 ILE 34 -5.559 -1.906 0.597 257 HG21 ILE 34 HG21 ILE 34 -5.187 -4.887 -1.732 258 HG22 ILE 34 HG22 ILE 34 -3.556 -4.460 -2.244 259 HG23 ILE 34 HG23 ILE 34 -4.923 -3.475 -2.755 260 HD11 ILE 34 HD11 ILE 34 -6.506 -2.147 -2.257 261 HD12 ILE 34 HD12 ILE 34 -5.571 -0.801 -1.596 262 HD13 ILE 34 HD13 ILE 34 -7.193 -1.130 -0.991 263 H GLY 35 H GLY 35 -1.416 -3.160 0.195 264 HA2 GLY 35 HA2 GLY 35 -0.255 -5.175 -1.399 265 HA3 GLY 35 HA3 GLY 35 0.606 -3.938 -0.496 266 H LEU 36 H LEU 36 -0.251 -4.633 2.126 267 HA LEU 36 HA LEU 36 1.582 -6.671 2.854 268 HB2 LEU 36 HB2 LEU 36 -0.719 -5.446 4.438 269 HB3 LEU 36 HB3 LEU 36 0.499 -6.503 5.139 270 HG LEU 36 HG LEU 36 1.053 -3.769 3.910 271 HD11 LEU 36 HD11 LEU 36 1.450 -3.003 6.202 272 HD12 LEU 36 HD12 LEU 36 0.970 -4.583 6.831 273 HD13 LEU 36 HD13 LEU 36 -0.206 -3.569 5.990 274 HD21 LEU 36 HD21 LEU 36 2.942 -5.635 5.388 275 HD22 LEU 36 HD22 LEU 36 3.314 -3.995 4.846 276 HD23 LEU 36 HD23 LEU 36 2.982 -5.256 3.663 277 H GLU 37 H GLU 37 -1.937 -6.629 2.435 278 HA GLU 37 HA GLU 37 -2.505 -9.271 3.257 279 HB2 GLU 37 HB2 GLU 37 -4.037 -7.618 1.208 280 HB3 GLU 37 HB3 GLU 37 -4.653 -9.013 2.083 281 HG2 GLU 37 HG2 GLU 37 -4.000 -6.280 3.189 282 HG3 GLU 37 HG3 GLU 37 -5.585 -7.021 3.043 283 H LYS 38 H LYS 38 -1.756 -7.878 0.057 284 HA LYS 38 HA LYS 38 -1.968 -10.201 -1.514 285 HB2 LYS 38 HB2 LYS 38 -0.192 -7.742 -1.838 286 HB3 LYS 38 HB3 LYS 38 -0.331 -8.988 -3.069 287 HG2 LYS 38 HG2 LYS 38 -2.614 -7.258 -2.074 288 HG3 LYS 38 HG3 LYS 38 -1.694 -6.982 -3.557 289 HD2 LYS 38 HD2 LYS 38 -2.465 -9.242 -4.381 290 HD3 LYS 38 HD3 LYS 38 -3.480 -9.374 -2.940 291 HE2 LYS 38 HE2 LYS 38 -4.700 -7.323 -3.646 292 HE3 LYS 38 HE3 LYS 38 -3.707 -7.252 -5.104 293 HZ1 LYS 38 HZ1 LYS 38 -5.441 -9.552 -4.389 294 HZ2 LYS 38 HZ2 LYS 38 -4.628 -9.309 -5.851 295 HZ3 LYS 38 HZ3 LYS 38 -5.913 -8.297 -5.418 296 H ASN 39 H ASN 39 0.780 -8.809 0.218 297 HA ASN 39 HA ASN 39 2.828 -10.487 -0.709 298 HB2 ASN 39 HB2 ASN 39 3.167 -8.267 0.381 299 HB3 ASN 39 HB3 ASN 39 2.651 -8.944 1.922 300 HD21 ASN 39 HD21 ASN 39 4.610 -8.346 2.859 301 HD22 ASN 39 HD22 ASN 39 6.087 -9.180 2.550 302 H LYS 40 H LYS 40 0.721 -10.773 2.168 303 HA LYS 40 HA LYS 40 2.081 -13.078 3.238 304 HB2 LYS 40 HB2 LYS 40 0.347 -13.138 4.944 305 HB3 LYS 40 HB3 LYS 40 0.844 -11.471 4.686 306 HG2 LYS 40 HG2 LYS 40 -1.189 -11.144 3.248 307 HG3 LYS 40 HG3 LYS 40 -1.701 -12.776 3.675 308 HD2 LYS 40 HD2 LYS 40 -2.886 -11.140 5.048 309 HD3 LYS 40 HD3 LYS 40 -1.820 -12.107 6.066 310 HE2 LYS 40 HE2 LYS 40 -0.240 -10.288 6.256 311 HE3 LYS 40 HE3 LYS 40 -1.077 -9.358 5.008 312 HZ1 LYS 40 HZ1 LYS 40 -2.948 -9.076 6.447 313 HZ2 LYS 40 HZ2 LYS 40 -1.557 -8.600 7.287 314 HZ3 LYS 40 HZ3 LYS 40 -2.279 -10.094 7.620 315 H MET 41 H MET 41 -0.473 -12.638 0.895 316 HA MET 41 HA MET 41 -1.390 -15.412 0.947 317 HB2 MET 41 HB2 MET 41 -2.029 -13.121 -0.959 318 HB3 MET 41 HB3 MET 41 -2.755 -14.722 -1.065 319 HG2 MET 41 HG2 MET 41 -3.719 -14.410 1.187 320 HG3 MET 41 HG3 MET 41 -3.037 -12.792 1.247 321 HE1 MET 41 HE1 MET 41 -5.065 -11.025 -1.654 322 HE2 MET 41 HE2 MET 41 -3.496 -11.814 -1.805 323 HE3 MET 41 HE3 MET 41 -3.843 -10.796 -0.407 324 H GLY 42 H GLY 42 1.298 -13.850 -0.337 325 HA2 GLY 42 HA2 GLY 42 3.017 -14.897 -1.553 326 HA3 GLY 42 HA3 GLY 42 1.875 -16.068 -2.192 327 H LYS 43 H LYS 43 0.382 -13.161 -2.504 328 HA LYS 43 HA LYS 43 1.029 -12.821 -5.311 329 HB2 LYS 43 HB2 LYS 43 -0.871 -11.313 -3.462 330 HB3 LYS 43 HB3 LYS 43 -0.715 -11.005 -5.190 331 HG2 LYS 43 HG2 LYS 43 -1.460 -13.309 -5.671 332 HG3 LYS 43 HG3 LYS 43 -1.626 -13.616 -3.937 333 HD2 LYS 43 HD2 LYS 43 -3.444 -12.045 -3.740 334 HD3 LYS 43 HD3 LYS 43 -3.149 -11.390 -5.355 335 HE2 LYS 43 HE2 LYS 43 -4.128 -14.207 -4.758 336 HE3 LYS 43 HE3 LYS 43 -5.130 -12.862 -5.313 337 HZ1 LYS 43 HZ1 LYS 43 -3.677 -12.761 -7.315 338 HZ2 LYS 43 HZ2 LYS 43 -4.577 -14.181 -7.179 339 HZ3 LYS 43 HZ3 LYS 43 -2.934 -14.192 -6.801 340 H VAL 44 H VAL 44 3.265 -12.428 -4.759 341 HA VAL 44 HA VAL 44 4.226 -10.260 -3.210 342 HB VAL 44 HB VAL 44 5.600 -11.989 -5.323 343 HG11 VAL 44 HG11 VAL 44 7.745 -11.315 -4.310 344 HG12 VAL 44 HG12 VAL 44 6.895 -10.194 -3.244 345 HG13 VAL 44 HG13 VAL 44 6.890 -9.927 -4.989 346 HG21 VAL 44 HG21 VAL 44 6.467 -13.300 -3.413 347 HG22 VAL 44 HG22 VAL 44 4.701 -13.299 -3.431 348 HG23 VAL 44 HG23 VAL 44 5.571 -12.270 -2.291 349 H LYS 45 H LYS 45 3.824 -10.746 -6.707 350 HA LYS 45 HA LYS 45 5.091 -8.321 -7.544 351 HB2 LYS 45 HB2 LYS 45 3.366 -10.368 -8.993 352 HB3 LYS 45 HB3 LYS 45 3.900 -8.895 -9.794 353 HG2 LYS 45 HG2 LYS 45 5.380 -10.751 -10.364 354 HG3 LYS 45 HG3 LYS 45 6.254 -9.523 -9.448 355 HD2 LYS 45 HD2 LYS 45 6.101 -10.914 -7.411 356 HD3 LYS 45 HD3 LYS 45 5.167 -12.125 -8.291 357 HE2 LYS 45 HE2 LYS 45 8.044 -11.340 -8.867 358 HE3 LYS 45 HE3 LYS 45 7.520 -12.809 -8.042 359 HZ1 LYS 45 HZ1 LYS 45 6.356 -13.463 -10.081 360 HZ2 LYS 45 HZ2 LYS 45 8.010 -13.266 -10.340 361 HZ3 LYS 45 HZ3 LYS 45 6.933 -12.077 -10.862 362 H GLU 46 H GLU 46 1.781 -9.278 -6.846 363 HA GLU 46 HA GLU 46 0.487 -6.860 -7.674 364 HB2 GLU 46 HB2 GLU 46 -0.409 -9.071 -5.770 365 HB3 GLU 46 HB3 GLU 46 -1.450 -7.759 -6.324 366 HG2 GLU 46 HG2 GLU 46 -1.225 -8.515 -8.640 367 HG3 GLU 46 HG3 GLU 46 -0.111 -9.786 -8.139 368 H ALA 47 H ALA 47 1.897 -8.045 -4.651 369 HA ALA 47 HA ALA 47 1.150 -5.991 -2.888 370 HB1 ALA 47 HB1 ALA 47 3.699 -7.650 -2.867 371 HB2 ALA 47 HB2 ALA 47 2.159 -8.118 -2.145 372 HB3 ALA 47 HB3 ALA 47 3.041 -6.732 -1.503 373 H ILE 48 H ILE 48 3.956 -6.328 -5.056 374 HA ILE 48 HA ILE 48 5.450 -4.061 -4.478 375 HB ILE 48 HB ILE 48 5.014 -5.423 -7.179 376 HG12 ILE 48 HG12 ILE 48 7.324 -5.716 -5.206 377 HG13 ILE 48 HG13 ILE 48 5.993 -6.854 -5.363 378 HG21 ILE 48 HG21 ILE 48 7.212 -3.449 -6.454 379 HG22 ILE 48 HG22 ILE 48 5.880 -3.148 -7.574 380 HG23 ILE 48 HG23 ILE 48 7.103 -4.358 -7.963 381 HD11 ILE 48 HD11 ILE 48 8.034 -6.205 -7.481 382 HD12 ILE 48 HD12 ILE 48 6.669 -7.310 -7.676 383 HD13 ILE 48 HD13 ILE 48 7.932 -7.668 -6.507 384 H GLU 49 H GLU 49 2.796 -4.408 -6.852 385 HA GLU 49 HA GLU 49 2.769 -1.854 -7.931 386 HB2 GLU 49 HB2 GLU 49 0.431 -3.744 -7.437 387 HB3 GLU 49 HB3 GLU 49 0.327 -2.301 -8.443 388 HG2 GLU 49 HG2 GLU 49 2.084 -4.721 -8.952 389 HG3 GLU 49 HG3 GLU 49 0.600 -4.304 -9.811 390 H TYR 50 H TYR 50 0.971 -3.093 -5.134 391 HA TYR 50 HA TYR 50 -0.397 -0.646 -4.621 392 HB2 TYR 50 HB2 TYR 50 -0.156 -3.265 -3.117 393 HB3 TYR 50 HB3 TYR 50 -1.022 -1.885 -2.449 394 HD1 TYR 50 HD2 TYR 50 -2.867 -0.806 -3.951 395 HD2 TYR 50 HD1 TYR 50 -1.327 -4.749 -4.599 396 HE1 TYR 50 HE2 TYR 50 -4.857 -1.369 -5.273 397 HE2 TYR 50 HE1 TYR 50 -3.315 -5.306 -5.925 398 HH TYR 50 HH TYR 50 -5.563 -2.919 -6.955 399 H PHE 51 H PHE 51 2.607 -2.026 -3.347 400 HA PHE 51 HA PHE 51 2.901 -0.078 -1.235 401 HB2 PHE 51 HB2 PHE 51 5.007 -1.814 -2.578 402 HB3 PHE 51 HB3 PHE 51 5.294 -0.818 -1.160 403 HD1 PHE 51 HD1 PHE 51 2.768 -1.485 0.412 404 HD2 PHE 51 HD2 PHE 51 5.536 -3.936 -1.752 405 HE1 PHE 51 HE1 PHE 51 2.257 -3.386 1.887 406 HE2 PHE 51 HE2 PHE 51 4.999 -5.835 -0.281 407 HZ PHE 51 HZ PHE 51 3.367 -5.561 1.537 408 H LEU 52 H LEU 52 3.709 -0.246 -4.648 409 HA LEU 52 HA LEU 52 5.613 1.935 -4.700 410 HB2 LEU 52 HB2 LEU 52 4.095 0.429 -6.855 411 HB3 LEU 52 HB3 LEU 52 4.991 1.878 -7.273 412 HG LEU 52 HG LEU 52 6.230 -0.631 -6.062 413 HD11 LEU 52 HD11 LEU 52 6.335 0.372 -8.929 414 HD12 LEU 52 HD12 LEU 52 5.429 -1.030 -8.352 415 HD13 LEU 52 HD13 LEU 52 7.188 -1.034 -8.280 416 HD21 LEU 52 HD21 LEU 52 8.389 0.408 -6.591 417 HD22 LEU 52 HD22 LEU 52 7.474 1.411 -5.469 418 HD23 LEU 52 HD23 LEU 52 7.571 1.861 -7.174 419 H ARG 53 H ARG 53 2.185 1.549 -5.418 420 HA ARG 53 HA ARG 53 1.662 4.248 -6.188 421 HB2 ARG 53 HB2 ARG 53 -0.238 2.041 -5.259 422 HB3 ARG 53 HB3 ARG 53 -0.736 3.549 -6.033 423 HG2 ARG 53 HG2 ARG 53 0.294 2.940 -8.108 424 HG3 ARG 53 HG3 ARG 53 1.158 1.596 -7.365 425 HD2 ARG 53 HD2 ARG 53 -1.150 0.563 -6.906 426 HD3 ARG 53 HD3 ARG 53 -1.796 1.793 -8.003 427 HE ARG 53 HE ARG 53 0.410 0.268 -9.091 428 HH11 ARG 53 HH11 ARG 53 -3.097 0.343 -8.731 429 HH12 ARG 53 HH12 ARG 53 -3.376 -0.702 -10.087 430 HH21 ARG 53 HH21 ARG 53 0.028 -1.129 -10.840 431 HH22 ARG 53 HH22 ARG 53 -1.600 -1.534 -11.280 432 H ALA 54 H ALA 54 1.274 2.390 -3.160 433 HA ALA 54 HA ALA 54 0.159 4.355 -1.502 434 HB1 ALA 54 HB1 ALA 54 1.107 3.059 0.377 435 HB2 ALA 54 HB2 ALA 54 2.128 2.161 -0.753 436 HB3 ALA 54 HB3 ALA 54 0.372 1.999 -0.826 437 H LYS 55 H LYS 55 3.552 3.511 -2.091 438 HA LYS 55 HA LYS 55 4.816 5.367 -0.416 439 HB2 LYS 55 HB2 LYS 55 5.967 3.393 -1.363 440 HB3 LYS 55 HB3 LYS 55 5.821 4.060 -2.988 441 HG2 LYS 55 HG2 LYS 55 7.267 5.969 -2.296 442 HG3 LYS 55 HG3 LYS 55 7.454 5.217 -0.710 443 HD2 LYS 55 HD2 LYS 55 8.560 3.265 -1.757 444 HD3 LYS 55 HD3 LYS 55 8.340 3.996 -3.354 445 HE2 LYS 55 HE2 LYS 55 10.012 5.122 -1.080 446 HE3 LYS 55 HE3 LYS 55 10.619 4.388 -2.566 447 HZ1 LYS 55 HZ1 LYS 55 9.595 6.188 -3.824 448 HZ2 LYS 55 HZ2 LYS 55 10.674 6.797 -2.681 449 HZ3 LYS 55 HZ3 LYS 55 9.010 6.891 -2.400 450 H LYS 56 H LYS 56 3.908 5.506 -3.824 451 HA LYS 56 HA LYS 56 5.038 7.924 -4.627 452 HB2 LYS 56 HB2 LYS 56 4.103 6.273 -6.183 453 HB3 LYS 56 HB3 LYS 56 2.486 6.528 -5.545 454 HG2 LYS 56 HG2 LYS 56 2.520 8.850 -6.458 455 HG3 LYS 56 HG3 LYS 56 4.131 8.543 -7.116 456 HD2 LYS 56 HD2 LYS 56 2.408 8.278 -8.866 457 HD3 LYS 56 HD3 LYS 56 3.224 6.746 -8.555 458 HE2 LYS 56 HE2 LYS 56 1.286 6.045 -7.131 459 HE3 LYS 56 HE3 LYS 56 0.473 7.560 -7.535 460 HZ1 LYS 56 HZ1 LYS 56 -0.300 5.735 -8.923 461 HZ2 LYS 56 HZ2 LYS 56 1.271 5.455 -9.483 462 HZ3 LYS 56 HZ3 LYS 56 0.486 6.898 -9.867 463 H VAL 57 H VAL 57 1.901 7.263 -3.101 464 HA VAL 57 HA VAL 57 0.942 9.961 -3.187 465 HB VAL 57 HB VAL 57 -0.011 7.670 -1.397 466 HG11 VAL 57 HG11 VAL 57 -1.439 10.225 -2.227 467 HG12 VAL 57 HG12 VAL 57 -0.783 9.889 -0.623 468 HG13 VAL 57 HG13 VAL 57 -2.124 8.927 -1.245 469 HG21 VAL 57 HG21 VAL 57 -1.091 8.532 -4.112 470 HG22 VAL 57 HG22 VAL 57 -1.735 7.238 -3.097 471 HG23 VAL 57 HG23 VAL 57 -0.133 7.086 -3.810 472 H PHE 58 H PHE 58 2.638 7.982 -0.716 473 HA PHE 58 HA PHE 58 2.703 9.881 1.384 474 HB2 PHE 58 HB2 PHE 58 4.608 7.607 0.703 475 HB3 PHE 58 HB3 PHE 58 4.831 8.615 2.126 476 HD1 PHE 58 HD2 PHE 58 2.397 8.891 3.482 477 HD2 PHE 58 HD1 PHE 58 3.704 5.507 1.205 478 HE1 PHE 58 HE2 PHE 58 0.968 7.410 4.835 479 HE2 PHE 58 HE1 PHE 58 2.278 4.042 2.566 480 HZ PHE 58 HZ PHE 58 0.917 4.991 4.383 481 H ASP 59 H ASP 59 4.802 9.421 -1.422 482 HA ASP 59 HA ASP 59 6.857 11.260 -0.733 483 HB2 ASP 59 HB2 ASP 59 5.981 10.167 -3.449 484 HB3 ASP 59 HB3 ASP 59 7.380 11.215 -3.245 485 H ALA 60 H ALA 60 3.765 11.569 -2.399 486 HA ALA 60 HA ALA 60 3.987 14.267 -3.273 487 HB1 ALA 60 HB1 ALA 60 1.534 14.166 -3.533 488 HB2 ALA 60 HB2 ALA 60 1.489 12.664 -2.603 489 HB3 ALA 60 HB3 ALA 60 2.298 12.709 -4.170 490 H GLU 61 H GLU 61 2.801 12.761 -0.304 491 HA GLU 61 HA GLU 61 1.964 15.199 0.989 492 HB2 GLU 61 HB2 GLU 61 2.463 12.409 2.128 493 HB3 GLU 61 HB3 GLU 61 1.628 13.718 2.961 494 HG2 GLU 61 HG2 GLU 61 0.689 12.387 0.409 495 HG3 GLU 61 HG3 GLU 61 0.088 12.035 2.024 496 H HIS 62 H HIS 62 4.942 13.705 0.441 497 HA HIS 62 HA HIS 62 7.060 13.984 1.065 498 HB2 HIS 62 HB2 HIS 62 6.086 16.445 2.573 499 HB3 HIS 62 HB3 HIS 62 7.774 16.077 2.217 500 HD1 HIS 62 HD1 HIS 62 5.292 18.227 1.035 501 HD2 HIS 62 HD2 HIS 62 7.888 15.613 -0.883 502 HE1 HIS 62 HE1 HIS 62 5.397 19.008 -1.347 503 HE2 HIS 62 HE2 HIS 62 7.131 17.535 -2.419 504 H ASP 63 H ASP 63 5.001 12.539 2.724 505 HA ASP 63 HA ASP 63 6.247 12.331 5.338 506 HB2 ASP 63 HB2 ASP 63 3.814 11.915 5.131 507 HB3 ASP 63 HB3 ASP 63 4.119 10.596 4.004 508 H THR 64 H THR 64 8.342 11.915 4.753 509 HA THR 64 HA THR 64 9.264 9.919 2.994 510 HB THR 64 HB THR 64 10.680 11.793 3.575 511 HG1 THR 64 HG1 THR 64 12.607 10.597 4.212 512 HG21 THR 64 HG21 THR 64 9.961 12.211 5.889 513 HG22 THR 64 HG22 THR 64 11.718 12.063 5.799 514 HG23 THR 64 HG23 THR 64 10.752 10.723 6.419 515 H ASP 65 H ASP 65 8.195 9.761 6.291 516 HA ASP 65 HA ASP 65 9.484 7.407 7.175 517 HB2 ASP 65 HB2 ASP 65 8.341 9.003 8.707 518 HB3 ASP 65 HB3 ASP 65 6.779 8.568 8.016 519 H GLY 66 H GLY 66 6.176 7.926 5.898 520 HA2 GLY 66 HA2 GLY 66 5.471 5.172 5.711 521 HA3 GLY 66 HA3 GLY 66 4.625 6.523 4.970 522 H ALA 67 H ALA 67 6.943 7.457 3.463 523 HA ALA 67 HA ALA 67 6.787 5.938 1.094 524 HB1 ALA 67 HB1 ALA 67 8.649 7.343 0.298 525 HB2 ALA 67 HB2 ALA 67 8.938 7.906 1.949 526 HB3 ALA 67 HB3 ALA 67 7.429 8.312 1.127 527 H ARG 68 H ARG 68 9.305 6.081 3.610 528 HA ARG 68 HA ARG 68 11.002 4.037 2.547 529 HB2 ARG 68 HB2 ARG 68 10.795 5.307 5.309 530 HB3 ARG 68 HB3 ARG 68 11.996 4.080 4.920 531 HG2 ARG 68 HG2 ARG 68 13.056 5.525 3.297 532 HG3 ARG 68 HG3 ARG 68 11.772 6.729 3.454 533 HD2 ARG 68 HD2 ARG 68 13.801 7.407 4.681 534 HD3 ARG 68 HD3 ARG 68 12.437 7.170 5.778 535 HE ARG 68 HE ARG 68 13.811 4.764 5.721 536 HH11 ARG 68 HH11 ARG 68 14.569 8.064 6.703 537 HH12 ARG 68 HH12 ARG 68 15.733 7.567 7.890 538 HH21 ARG 68 HH21 ARG 68 15.357 4.138 7.254 539 HH22 ARG 68 HH22 ARG 68 16.176 5.338 8.198 540 H ARG 69 H ARG 69 8.213 4.043 4.673 541 HA ARG 69 HA ARG 69 8.518 1.448 5.836 542 HB2 ARG 69 HB2 ARG 69 7.122 3.311 6.791 543 HB3 ARG 69 HB3 ARG 69 5.986 3.120 5.461 544 HG2 ARG 69 HG2 ARG 69 5.512 0.793 6.256 545 HG3 ARG 69 HG3 ARG 69 6.595 1.071 7.624 546 HD2 ARG 69 HD2 ARG 69 4.064 2.645 7.027 547 HD3 ARG 69 HD3 ARG 69 4.219 1.376 8.242 548 HE ARG 69 HE ARG 69 5.690 3.956 8.344 549 HH11 ARG 69 HH11 ARG 69 3.980 1.369 10.005 550 HH12 ARG 69 HH12 ARG 69 4.182 2.077 11.574 551 HH21 ARG 69 HH21 ARG 69 5.943 4.869 10.408 552 HH22 ARG 69 HH22 ARG 69 5.297 4.071 11.798 553 H ALA 70 H ALA 70 6.693 2.721 3.075 554 HA ALA 70 HA ALA 70 5.580 0.242 2.194 555 HB1 ALA 70 HB1 ALA 70 5.996 2.839 0.671 556 HB2 ALA 70 HB2 ALA 70 4.564 2.401 1.605 557 HB3 ALA 70 HB3 ALA 70 4.980 1.487 0.153 558 H ALA 71 H ALA 71 8.543 2.052 1.526 559 HA ALA 71 HA ALA 71 9.524 0.406 -0.593 560 HB1 ALA 71 HB1 ALA 71 11.640 1.607 -0.273 561 HB2 ALA 71 HB2 ALA 71 11.038 2.289 1.242 562 HB3 ALA 71 HB3 ALA 71 10.274 2.723 -0.289 563 H LYS 72 H LYS 72 9.644 0.187 2.898 564 HA LYS 72 HA LYS 72 11.798 -1.711 3.069 565 HB2 LYS 72 HB2 LYS 72 11.068 -0.181 4.959 566 HB3 LYS 72 HB3 LYS 72 9.598 -1.129 5.108 567 HG2 LYS 72 HG2 LYS 72 11.050 -1.828 6.851 568 HG3 LYS 72 HG3 LYS 72 11.044 -3.137 5.673 569 HD2 LYS 72 HD2 LYS 72 13.233 -1.034 5.621 570 HD3 LYS 72 HD3 LYS 72 13.311 -2.359 6.776 571 HE2 LYS 72 HE2 LYS 72 13.321 -3.988 4.945 572 HE3 LYS 72 HE3 LYS 72 13.158 -2.692 3.761 573 HZ1 LYS 72 HZ1 LYS 72 15.302 -1.821 4.510 574 HZ2 LYS 72 HZ2 LYS 72 15.442 -3.391 3.912 575 HZ3 LYS 72 HZ3 LYS 72 15.467 -3.118 5.580 576 H SER 73 H SER 73 8.252 -1.881 3.137 577 HA SER 73 HA SER 73 8.006 -4.707 3.143 578 HB2 SER 73 HB2 SER 73 6.052 -2.582 2.181 579 HB3 SER 73 HB3 SER 73 5.649 -4.259 2.565 580 HG SER 73 HG SER 73 5.246 -3.295 4.440 581 H LEU 74 H LEU 74 8.433 -2.324 0.565 582 HA LEU 74 HA LEU 74 8.098 -4.022 -1.673 583 HB2 LEU 74 HB2 LEU 74 9.557 -1.427 -1.204 584 HB3 LEU 74 HB3 LEU 74 9.907 -2.301 -2.681 585 HG LEU 74 HG LEU 74 7.125 -1.426 -1.863 586 HD11 LEU 74 HD11 LEU 74 8.497 0.545 -2.278 587 HD12 LEU 74 HD12 LEU 74 7.291 0.322 -3.543 588 HD13 LEU 74 HD13 LEU 74 8.978 -0.104 -3.850 589 HD21 LEU 74 HD21 LEU 74 7.124 -3.379 -3.320 590 HD22 LEU 74 HD22 LEU 74 8.183 -2.558 -4.469 591 HD23 LEU 74 HD23 LEU 74 6.541 -1.965 -4.196 592 H SER 75 H SER 75 10.912 -3.315 0.383 593 HA SER 75 HA SER 75 12.825 -4.817 -1.057 594 HB2 SER 75 HB2 SER 75 13.438 -3.132 0.651 595 HB3 SER 75 HB3 SER 75 12.753 -4.148 1.920 596 HG SER 75 HG SER 75 15.086 -4.499 0.389 597 H GLU 76 H GLU 76 10.664 -5.659 1.635 598 HA GLU 76 HA GLU 76 11.280 -8.319 2.062 599 HB2 GLU 76 HB2 GLU 76 9.503 -6.460 3.067 600 HB3 GLU 76 HB3 GLU 76 8.384 -7.508 2.217 601 HG2 GLU 76 HG2 GLU 76 10.361 -8.432 4.307 602 HG3 GLU 76 HG3 GLU 76 8.697 -7.982 4.648 603 H ALA 77 H ALA 77 9.174 -6.826 -0.362 604 HA ALA 77 HA ALA 77 8.135 -9.243 -1.487 605 HB1 ALA 77 HB1 ALA 77 7.201 -7.765 -3.216 606 HB2 ALA 77 HB2 ALA 77 8.189 -6.428 -2.620 607 HB3 ALA 77 HB3 ALA 77 6.912 -7.105 -1.604 608 H TYR 78 H TYR 78 10.799 -7.020 -2.377 609 HA TYR 78 HA TYR 78 11.293 -8.100 -4.955 610 HB2 TYR 78 HB2 TYR 78 13.021 -6.346 -3.170 611 HB3 TYR 78 HB3 TYR 78 13.489 -6.798 -4.809 612 HD1 TYR 78 HD2 TYR 78 10.570 -6.585 -5.957 613 HD2 TYR 78 HD1 TYR 78 12.976 -3.957 -3.592 614 HE1 TYR 78 HE2 TYR 78 9.321 -4.664 -6.817 615 HE2 TYR 78 HE1 TYR 78 11.718 -2.033 -4.452 616 HH TYR 78 HH TYR 78 8.778 -2.348 -6.061 617 H GLN 79 H GLN 79 12.555 -8.869 -1.775 618 HA GLN 79 HA GLN 79 14.626 -10.636 -2.454 619 HB2 GLN 79 HB2 GLN 79 12.712 -10.674 -0.082 620 HB3 GLN 79 HB3 GLN 79 14.137 -11.706 -0.202 621 HG2 GLN 79 HG2 GLN 79 15.606 -9.783 -0.180 622 HG3 GLN 79 HG3 GLN 79 14.240 -8.675 -0.240 623 HE21 GLN 79 HE21 GLN 79 12.974 -8.409 1.633 624 HE22 GLN 79 HE22 GLN 79 13.530 -8.885 3.197 625 H LYS 80 H LYS 80 11.133 -11.100 -2.276 626 HA LYS 80 HA LYS 80 11.201 -13.939 -2.894 627 HB2 LYS 80 HB2 LYS 80 8.863 -11.994 -2.720 628 HB3 LYS 80 HB3 LYS 80 8.727 -13.749 -2.833 629 HG2 LYS 80 HG2 LYS 80 9.708 -14.049 -0.650 630 HG3 LYS 80 HG3 LYS 80 10.131 -12.334 -0.543 631 HD2 LYS 80 HD2 LYS 80 7.700 -11.755 -0.558 632 HD3 LYS 80 HD3 LYS 80 7.303 -13.477 -0.612 633 HE2 LYS 80 HE2 LYS 80 8.303 -13.817 1.581 634 HE3 LYS 80 HE3 LYS 80 8.868 -12.145 1.620 635 HZ1 LYS 80 HZ1 LYS 80 6.898 -12.349 2.926 636 HZ2 LYS 80 HZ2 LYS 80 6.043 -13.056 1.651 637 HZ3 LYS 80 HZ3 LYS 80 6.533 -11.437 1.550 638 H VAL 81 H VAL 81 11.310 -11.077 -4.769 639 HA VAL 81 HA VAL 81 10.190 -12.250 -7.212 640 HB VAL 81 HB VAL 81 11.722 -9.619 -6.855 641 HG11 VAL 81 HG11 VAL 81 9.950 -10.528 -9.161 642 HG12 VAL 81 HG12 VAL 81 11.708 -10.345 -9.219 643 HG13 VAL 81 HG13 VAL 81 10.678 -8.927 -8.992 644 HG21 VAL 81 HG21 VAL 81 9.525 -8.523 -6.831 645 HG22 VAL 81 HG22 VAL 81 9.670 -9.669 -5.501 646 HG23 VAL 81 HG23 VAL 81 8.725 -10.094 -6.928 647 H GLU 82 H GLU 82 13.272 -11.712 -5.655 648 HA GLU 82 HA GLU 82 14.900 -12.699 -7.869 649 HB2 GLU 82 HB2 GLU 82 15.620 -11.895 -5.006 650 HB3 GLU 82 HB3 GLU 82 16.791 -12.320 -6.256 651 HG2 GLU 82 HG2 GLU 82 16.202 -10.386 -7.585 652 HG3 GLU 82 HG3 GLU 82 14.826 -10.022 -6.544 653 H GLY 83 H GLY 83 14.791 -13.690 -4.418 654 HA2 GLY 83 HA2 GLY 83 14.749 -16.569 -5.196 655 HA3 GLY 83 HA3 GLY 83 15.417 -15.915 -3.704 656 H SER 84 H SER 84 12.519 -16.851 -5.359 657 HA SER 84 HA SER 84 10.537 -15.603 -3.855 658 HB2 SER 84 HB2 SER 84 10.173 -16.606 -6.093 659 HB3 SER 84 HB3 SER 84 10.355 -18.220 -5.402 660 HG SER 84 HG SER 84 8.165 -17.587 -5.634 661 H GLY 85 H GLY 85 10.970 -15.758 -1.656 662 HA2 GLY 85 HA2 GLY 85 10.409 -16.549 0.427 663 HA3 GLY 85 HA3 GLY 85 9.963 -18.099 -0.268 664 H ASP 86 H ASP 86 12.000 -19.202 -1.316 665 HA ASP 86 HA ASP 86 13.810 -20.467 -1.008 666 HB2 ASP 86 HB2 ASP 86 15.225 -18.495 -0.996 667 HB3 ASP 86 HB3 ASP 86 14.834 -18.149 0.685 668 H LYS 87 H LYS 87 14.604 -22.111 0.336 669 HA LYS 87 HA LYS 87 12.845 -22.874 2.467 670 HB2 LYS 87 HB2 LYS 87 14.211 -24.331 0.673 671 HB3 LYS 87 HB3 LYS 87 15.462 -24.308 1.901 672 HG2 LYS 87 HG2 LYS 87 12.645 -25.336 2.331 673 HG3 LYS 87 HG3 LYS 87 14.011 -26.352 1.898 674 HD2 LYS 87 HD2 LYS 87 13.919 -24.689 4.442 675 HD3 LYS 87 HD3 LYS 87 13.328 -26.345 4.351 676 HE2 LYS 87 HE2 LYS 87 15.543 -26.398 5.269 677 HE3 LYS 87 HE3 LYS 87 15.630 -27.068 3.644 678 HZ1 LYS 87 HZ1 LYS 87 17.469 -25.559 4.196 679 HZ2 LYS 87 HZ2 LYS 87 16.379 -24.283 4.367 680 HZ3 LYS 87 HZ3 LYS 87 16.585 -25.020 2.861 681 H GLY 88 H GLY 88 13.092 -21.260 4.032 682 HA2 GLY 88 HA2 GLY 88 15.158 -21.589 5.990 683 HA3 GLY 88 HA3 GLY 88 15.385 -20.104 5.068 684 H LYS 89 H LYS 89 14.893 -20.178 7.835 685 HA LYS 89 HA LYS 89 12.063 -19.599 8.278 686 HB2 LYS 89 HB2 LYS 89 13.765 -20.944 9.869 687 HB3 LYS 89 HB3 LYS 89 14.158 -19.343 10.463 688 HG2 LYS 89 HG2 LYS 89 11.372 -20.550 10.458 689 HG3 LYS 89 HG3 LYS 89 12.462 -20.560 11.843 690 HD2 LYS 89 HD2 LYS 89 12.357 -18.124 12.003 691 HD3 LYS 89 HD3 LYS 89 11.416 -18.026 10.510 692 HE2 LYS 89 HE2 LYS 89 10.498 -19.334 13.097 693 HE3 LYS 89 HE3 LYS 89 9.980 -17.759 12.492 694 HZ1 LYS 89 HZ1 LYS 89 8.343 -19.425 11.973 695 HZ2 LYS 89 HZ2 LYS 89 9.485 -20.388 11.195 696 HZ3 LYS 89 HZ3 LYS 89 9.051 -18.897 10.534 697 H ILE 90 H ILE 90 11.742 -17.701 7.200 698 HA ILE 90 HA ILE 90 13.136 -15.252 7.887 699 HB ILE 90 HB ILE 90 11.385 -14.137 6.457 700 HG12 ILE 90 HG12 ILE 90 10.318 -16.982 6.065 701 HG13 ILE 90 HG13 ILE 90 9.466 -15.648 6.829 702 HG21 ILE 90 HG21 ILE 90 12.781 -16.505 5.139 703 HG22 ILE 90 HG22 ILE 90 13.507 -14.933 5.475 704 HG23 ILE 90 HG23 ILE 90 12.194 -15.060 4.306 705 HD11 ILE 90 HD11 ILE 90 10.223 -15.848 3.920 706 HD12 ILE 90 HD12 ILE 90 9.412 -14.471 4.675 707 HD13 ILE 90 HD13 ILE 90 8.617 -16.045 4.620 708 H PHE 91 H PHE 91 12.708 -14.115 9.642 709 HA PHE 91 HA PHE 91 10.629 -14.871 11.491 710 HB2 PHE 91 HB2 PHE 91 12.713 -12.653 11.648 711 HB3 PHE 91 HB3 PHE 91 11.644 -13.122 12.967 712 HD1 PHE 91 HD2 PHE 91 11.789 -15.554 13.822 713 HD2 PHE 91 HD1 PHE 91 14.814 -13.760 11.375 714 HE1 PHE 91 HE2 PHE 91 13.399 -17.257 14.548 715 HE2 PHE 91 HE1 PHE 91 16.419 -15.472 12.116 716 HZ PHE 91 HZ PHE 91 15.713 -17.221 13.699 717 H GLN 92 H GLN 92 8.814 -14.358 10.129 718 HA GLN 92 HA GLN 92 8.170 -11.542 9.637 719 HB2 GLN 92 HB2 GLN 92 6.225 -12.327 8.419 720 HB3 GLN 92 HB3 GLN 92 7.617 -13.269 7.899 721 HG2 GLN 92 HG2 GLN 92 6.888 -15.162 9.258 722 HG3 GLN 92 HG3 GLN 92 5.538 -14.224 9.891 723 HE21 GLN 92 HE21 GLN 92 6.798 -15.902 7.102 724 HE22 GLN 92 HE22 GLN 92 5.310 -15.966 6.227 725 H LYS 93 H LYS 93 6.029 -10.764 10.290 726 HA LYS 93 HA LYS 93 4.677 -11.897 12.556 727 HB2 LYS 93 HB2 LYS 93 5.078 -10.042 14.139 728 HB3 LYS 93 HB3 LYS 93 6.573 -10.880 13.769 729 HG2 LYS 93 HG2 LYS 93 5.773 -8.240 12.498 730 HG3 LYS 93 HG3 LYS 93 6.742 -8.369 13.967 731 HD2 LYS 93 HD2 LYS 93 8.466 -9.650 12.676 732 HD3 LYS 93 HD3 LYS 93 7.507 -9.420 11.210 733 HE2 LYS 93 HE2 LYS 93 9.288 -7.782 11.255 734 HE3 LYS 93 HE3 LYS 93 7.755 -6.947 11.499 735 HZ1 LYS 93 HZ1 LYS 93 9.664 -7.701 13.652 736 HZ2 LYS 93 HZ2 LYS 93 8.213 -6.855 13.867 737 HZ3 LYS 93 HZ3 LYS 93 9.480 -6.153 12.997 738 H GLU 94 H GLU 94 3.125 -9.999 13.408 739 HA GLU 94 HA GLU 94 1.372 -9.454 11.222 740 HB2 GLU 94 HB2 GLU 94 1.252 -8.568 14.137 741 HB3 GLU 94 HB3 GLU 94 -0.080 -8.449 12.987 742 HG2 GLU 94 HG2 GLU 94 -0.100 -10.916 12.756 743 HG3 GLU 94 HG3 GLU 94 1.224 -11.033 13.913 744 H GLY 95 H GLY 95 0.426 -7.294 10.771 745 HA2 GLY 95 HA2 GLY 95 2.347 -5.295 10.147 746 HA3 GLY 95 HA3 GLY 95 0.599 -5.119 10.051 747 H GLU 96 H GLU 96 2.966 -3.455 11.247 748 HA GLU 96 HA GLU 96 2.603 -3.230 14.043 749 HB2 GLU 96 HB2 GLU 96 4.618 -2.360 12.914 750 HB3 GLU 96 HB3 GLU 96 3.645 -1.152 12.072 751 HG2 GLU 96 HG2 GLU 96 3.049 -0.132 14.280 752 HG3 GLU 96 HG3 GLU 96 4.089 -1.317 15.077 753 H SER 97 H SER 97 0.516 -3.051 14.633 754 HA SER 97 HA SER 97 -1.090 -0.715 13.764 755 HB2 SER 97 HB2 SER 97 -2.086 -2.932 13.189 756 HB3 SER 97 HB3 SER 97 -2.051 -3.387 14.890 757 HG SER 97 HG SER 97 -3.791 -1.731 13.531 758 H ILE 98 H ILE 98 0.424 0.351 15.347 759 HA ILE 98 HA ILE 98 -0.398 0.049 18.165 760 HB ILE 98 HB ILE 98 1.768 1.939 17.089 761 HG12 ILE 98 HG12 ILE 98 2.078 -0.948 18.067 762 HG13 ILE 98 HG13 ILE 98 2.361 -0.375 16.432 763 HG21 ILE 98 HG21 ILE 98 2.640 1.896 19.403 764 HG22 ILE 98 HG22 ILE 98 1.341 0.805 19.891 765 HG23 ILE 98 HG23 ILE 98 0.965 2.454 19.388 766 HD11 ILE 98 HD11 ILE 98 4.000 0.327 18.870 767 HD12 ILE 98 HD12 ILE 98 4.270 0.940 17.236 768 HD13 ILE 98 HD13 ILE 98 4.445 -0.781 17.569 769 H LEU 99 H LEU 99 -2.465 0.757 16.682 770 HA LEU 99 HA LEU 99 -2.791 3.686 16.715 771 HB2 LEU 99 HB2 LEU 99 -4.461 1.520 15.370 772 HB3 LEU 99 HB3 LEU 99 -4.806 3.242 15.305 773 HG LEU 99 HG LEU 99 -2.366 1.865 14.106 774 HD11 LEU 99 HD11 LEU 99 -4.397 1.421 12.840 775 HD12 LEU 99 HD12 LEU 99 -3.331 2.493 11.937 776 HD13 LEU 99 HD13 LEU 99 -4.758 3.147 12.752 777 HD21 LEU 99 HD21 LEU 99 -1.733 4.089 14.892 778 HD22 LEU 99 HD22 LEU 99 -3.108 4.816 14.056 779 HD23 LEU 99 HD23 LEU 99 -1.803 4.066 13.131 780 H GLU 100 H GLU 100 -3.119 3.960 18.892 781 HA GLU 100 HA GLU 100 -5.371 2.662 20.238 782 HB2 GLU 100 HB2 GLU 100 -3.241 2.961 21.475 783 HB3 GLU 100 HB3 GLU 100 -3.334 4.702 21.245 784 HG2 GLU 100 HG2 GLU 100 -3.997 4.030 23.529 785 HG3 GLU 100 HG3 GLU 100 -5.311 4.834 22.670 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -13.433 -11.536 10.724 2 H2 GLY 1 H2 GLY 1 -13.174 -9.870 10.627 3 H3 GLY 1 H3 GLY 1 -11.864 -10.933 10.578 4 HA2 GLY 1 HA2 GLY 1 -13.997 -10.708 8.529 5 HA3 GLY 1 HA3 GLY 1 -12.357 -10.078 8.375 6 H GLY 2 H GLY 2 -13.093 -11.716 6.425 7 HA2 GLY 2 HA2 GLY 2 -12.364 -14.508 7.008 8 HA3 GLY 2 HA3 GLY 2 -12.975 -13.856 5.495 9 H SER 3 H SER 3 -11.508 -14.180 3.958 10 HA SER 3 HA SER 3 -8.712 -14.475 4.418 11 HB2 SER 3 HB2 SER 3 -8.613 -14.660 1.906 12 HB3 SER 3 HB3 SER 3 -9.812 -15.728 2.630 13 HG SER 3 HG SER 3 -10.172 -13.903 0.764 14 HA PRO 4 HA PRO 4 -6.867 -10.381 3.855 15 HB2 PRO 4 HB2 PRO 4 -5.541 -11.540 1.378 16 HB3 PRO 4 HB3 PRO 4 -4.839 -10.558 2.688 17 HG2 PRO 4 HG2 PRO 4 -4.424 -13.160 2.704 18 HG3 PRO 4 HG3 PRO 4 -4.834 -12.323 4.219 19 HD2 PRO 4 HD2 PRO 4 -6.587 -14.062 2.501 20 HD3 PRO 4 HD3 PRO 4 -6.520 -13.921 4.272 21 H ASP 5 H ASP 5 -8.333 -11.914 1.053 22 HA ASP 5 HA ASP 5 -8.636 -9.788 -0.733 23 HB2 ASP 5 HB2 ASP 5 -10.597 -12.088 -0.291 24 HB3 ASP 5 HB3 ASP 5 -10.444 -11.124 -1.753 25 H GLU 6 H GLU 6 -10.764 -10.807 1.946 26 HA GLU 6 HA GLU 6 -12.836 -8.897 1.423 27 HB2 GLU 6 HB2 GLU 6 -13.156 -11.069 2.672 28 HB3 GLU 6 HB3 GLU 6 -12.263 -10.382 4.026 29 HG2 GLU 6 HG2 GLU 6 -14.002 -8.549 4.148 30 HG3 GLU 6 HG3 GLU 6 -14.922 -9.413 2.916 31 H ASN 7 H ASN 7 -9.937 -8.958 3.417 32 HA ASN 7 HA ASN 7 -10.337 -6.604 4.935 33 HB2 ASN 7 HB2 ASN 7 -7.718 -7.863 4.002 34 HB3 ASN 7 HB3 ASN 7 -7.857 -6.652 5.274 35 HD21 ASN 7 HD21 ASN 7 -6.823 -9.412 5.343 36 HD22 ASN 7 HD22 ASN 7 -7.697 -10.210 6.598 37 H ILE 8 H ILE 8 -8.942 -7.206 1.744 38 HA ILE 8 HA ILE 8 -7.993 -4.667 1.042 39 HB ILE 8 HB ILE 8 -9.148 -6.897 -0.692 40 HG12 ILE 8 HG12 ILE 8 -6.232 -6.122 -0.255 41 HG13 ILE 8 HG13 ILE 8 -7.053 -7.374 0.664 42 HG21 ILE 8 HG21 ILE 8 -8.061 -5.844 -2.656 43 HG22 ILE 8 HG22 ILE 8 -7.620 -4.458 -1.661 44 HG23 ILE 8 HG23 ILE 8 -9.320 -4.810 -1.974 45 HD11 ILE 8 HD11 ILE 8 -6.558 -7.396 -2.311 46 HD12 ILE 8 HD12 ILE 8 -7.423 -8.640 -1.403 47 HD13 ILE 8 HD13 ILE 8 -5.716 -8.346 -1.085 48 H ALA 9 H ALA 9 -11.266 -6.079 0.739 49 HA ALA 9 HA ALA 9 -12.553 -4.094 -0.746 50 HB1 ALA 9 HB1 ALA 9 -13.595 -6.270 -0.247 51 HB2 ALA 9 HB2 ALA 9 -14.660 -4.943 0.223 52 HB3 ALA 9 HB3 ALA 9 -13.747 -5.822 1.451 53 H LYS 10 H LYS 10 -11.970 -4.331 2.737 54 HA LYS 10 HA LYS 10 -13.400 -2.000 3.530 55 HB2 LYS 10 HB2 LYS 10 -12.951 -3.739 5.145 56 HB3 LYS 10 HB3 LYS 10 -11.214 -3.602 4.903 57 HG2 LYS 10 HG2 LYS 10 -11.124 -1.476 6.017 58 HG3 LYS 10 HG3 LYS 10 -12.879 -1.308 6.002 59 HD2 LYS 10 HD2 LYS 10 -11.305 -3.366 7.600 60 HD3 LYS 10 HD3 LYS 10 -12.053 -1.902 8.247 61 HE2 LYS 10 HE2 LYS 10 -14.281 -2.787 7.461 62 HE3 LYS 10 HE3 LYS 10 -13.468 -4.291 7.031 63 HZ1 LYS 10 HZ1 LYS 10 -13.616 -3.116 9.749 64 HZ2 LYS 10 HZ2 LYS 10 -12.834 -4.556 9.345 65 HZ3 LYS 10 HZ3 LYS 10 -14.512 -4.433 9.185 66 H PHE 11 H PHE 11 -10.004 -2.627 2.676 67 HA PHE 11 HA PHE 11 -9.024 -0.027 3.317 68 HB2 PHE 11 HB2 PHE 11 -7.858 -2.069 1.377 69 HB3 PHE 11 HB3 PHE 11 -7.006 -0.661 2.009 70 HD1 PHE 11 HD2 PHE 11 -7.851 -0.811 4.911 71 HD2 PHE 11 HD1 PHE 11 -6.535 -3.872 2.216 72 HE1 PHE 11 HE2 PHE 11 -7.079 -2.169 6.811 73 HE2 PHE 11 HE1 PHE 11 -5.766 -5.219 4.128 74 HZ PHE 11 HZ PHE 11 -6.041 -4.372 6.425 75 H GLU 12 H GLU 12 -10.629 -1.384 0.522 76 HA GLU 12 HA GLU 12 -10.120 0.792 -1.298 77 HB2 GLU 12 HB2 GLU 12 -12.198 -1.439 -1.342 78 HB3 GLU 12 HB3 GLU 12 -11.976 -0.273 -2.643 79 HG2 GLU 12 HG2 GLU 12 -9.692 -1.087 -3.032 80 HG3 GLU 12 HG3 GLU 12 -9.850 -2.219 -1.689 81 H LYS 13 H LYS 13 -12.675 -0.008 1.049 82 HA LYS 13 HA LYS 13 -14.463 2.125 0.496 83 HB2 LYS 13 HB2 LYS 13 -13.904 0.786 3.183 84 HB3 LYS 13 HB3 LYS 13 -15.303 1.796 2.824 85 HG2 LYS 13 HG2 LYS 13 -16.182 0.161 1.286 86 HG3 LYS 13 HG3 LYS 13 -14.706 -0.803 1.389 87 HD2 LYS 13 HD2 LYS 13 -15.192 -1.116 3.863 88 HD3 LYS 13 HD3 LYS 13 -16.760 -0.349 3.590 89 HE2 LYS 13 HE2 LYS 13 -15.793 -2.885 2.227 90 HE3 LYS 13 HE3 LYS 13 -16.892 -2.825 3.603 91 HZ1 LYS 13 HZ1 LYS 13 -18.494 -1.658 2.253 92 HZ2 LYS 13 HZ2 LYS 13 -18.056 -3.105 1.500 93 HZ3 LYS 13 HZ3 LYS 13 -17.433 -1.636 0.937 94 H ALA 14 H ALA 14 -11.733 1.798 2.713 95 HA ALA 14 HA ALA 14 -11.755 4.421 3.794 96 HB1 ALA 14 HB1 ALA 14 -9.531 3.822 4.698 97 HB2 ALA 14 HB2 ALA 14 -9.503 2.381 3.675 98 HB3 ALA 14 HB3 ALA 14 -10.707 2.532 4.956 99 H TYR 15 H TYR 15 -10.334 2.988 0.925 100 HA TYR 15 HA TYR 15 -8.439 5.025 0.274 101 HB2 TYR 15 HB2 TYR 15 -8.300 2.702 -0.619 102 HB3 TYR 15 HB3 TYR 15 -9.800 2.930 -1.507 103 HD1 TYR 15 HD2 TYR 15 -6.209 3.866 -1.349 104 HD2 TYR 15 HD1 TYR 15 -9.794 4.134 -3.652 105 HE1 TYR 15 HE2 TYR 15 -4.915 4.671 -3.260 106 HE2 TYR 15 HE1 TYR 15 -8.493 4.924 -5.581 107 HH TYR 15 HH TYR 15 -6.314 6.044 -5.995 108 H LYS 16 H LYS 16 -11.734 4.279 -0.891 109 HA LYS 16 HA LYS 16 -11.840 6.501 -2.698 110 HB2 LYS 16 HB2 LYS 16 -14.048 4.679 -1.669 111 HB3 LYS 16 HB3 LYS 16 -14.253 5.858 -2.957 112 HG2 LYS 16 HG2 LYS 16 -12.443 3.428 -3.016 113 HG3 LYS 16 HG3 LYS 16 -13.961 3.627 -3.888 114 HD2 LYS 16 HD2 LYS 16 -11.466 5.314 -4.337 115 HD3 LYS 16 HD3 LYS 16 -11.948 3.937 -5.329 116 HE2 LYS 16 HE2 LYS 16 -14.036 5.132 -5.950 117 HE3 LYS 16 HE3 LYS 16 -13.516 6.514 -4.983 118 HZ1 LYS 16 HZ1 LYS 16 -11.594 6.759 -6.422 119 HZ2 LYS 16 HZ2 LYS 16 -13.024 6.826 -7.322 120 HZ3 LYS 16 HZ3 LYS 16 -12.077 5.425 -7.344 121 H LYS 17 H LYS 17 -12.866 5.962 0.632 122 HA LYS 17 HA LYS 17 -14.319 8.398 0.934 123 HB2 LYS 17 HB2 LYS 17 -14.595 6.479 2.513 124 HB3 LYS 17 HB3 LYS 17 -12.943 6.714 3.077 125 HG2 LYS 17 HG2 LYS 17 -14.525 7.679 4.673 126 HG3 LYS 17 HG3 LYS 17 -13.553 8.959 3.937 127 HD2 LYS 17 HD2 LYS 17 -15.476 9.375 2.329 128 HD3 LYS 17 HD3 LYS 17 -16.435 8.223 3.264 129 HE2 LYS 17 HE2 LYS 17 -16.158 9.675 5.268 130 HE3 LYS 17 HE3 LYS 17 -15.257 10.829 4.283 131 HZ1 LYS 17 HZ1 LYS 17 -17.499 11.562 4.433 132 HZ2 LYS 17 HZ2 LYS 17 -18.101 10.053 3.971 133 HZ3 LYS 17 HZ3 LYS 17 -17.264 11.002 2.853 134 H ALA 18 H ALA 18 -10.986 7.399 1.569 135 HA ALA 18 HA ALA 18 -9.812 9.715 2.565 136 HB1 ALA 18 HB1 ALA 18 -8.663 7.712 0.601 137 HB2 ALA 18 HB2 ALA 18 -8.671 7.567 2.357 138 HB3 ALA 18 HB3 ALA 18 -7.735 8.849 1.589 139 H GLU 19 H GLU 19 -10.472 8.713 -0.760 140 HA GLU 19 HA GLU 19 -9.208 10.793 -2.180 141 HB2 GLU 19 HB2 GLU 19 -9.871 8.543 -3.075 142 HB3 GLU 19 HB3 GLU 19 -11.561 9.032 -3.001 143 HG2 GLU 19 HG2 GLU 19 -11.064 10.852 -4.642 144 HG3 GLU 19 HG3 GLU 19 -9.403 10.262 -4.742 145 H GLU 20 H GLU 20 -12.534 10.389 -0.991 146 HA GLU 20 HA GLU 20 -13.707 12.769 -1.961 147 HB2 GLU 20 HB2 GLU 20 -14.304 11.166 0.565 148 HB3 GLU 20 HB3 GLU 20 -15.333 12.465 -0.032 149 HG2 GLU 20 HG2 GLU 20 -15.864 11.220 -2.031 150 HG3 GLU 20 HG3 GLU 20 -14.689 9.971 -1.622 151 H LEU 21 H LEU 21 -11.875 12.055 0.956 152 HA LEU 21 HA LEU 21 -12.073 14.700 2.115 153 HB2 LEU 21 HB2 LEU 21 -10.331 12.320 2.876 154 HB3 LEU 21 HB3 LEU 21 -10.568 13.756 3.860 155 HG LEU 21 HG LEU 21 -12.706 11.703 3.162 156 HD11 LEU 21 HD11 LEU 21 -11.291 12.228 5.793 157 HD12 LEU 21 HD12 LEU 21 -11.126 10.805 4.761 158 HD13 LEU 21 HD13 LEU 21 -12.661 11.134 5.558 159 HD21 LEU 21 HD21 LEU 21 -13.703 13.924 3.336 160 HD22 LEU 21 HD22 LEU 21 -12.952 14.166 4.917 161 HD23 LEU 21 HD23 LEU 21 -14.176 12.913 4.698 162 H ASN 22 H ASN 22 -10.240 13.388 -0.360 163 HA ASN 22 HA ASN 22 -8.458 13.980 -1.595 164 HB2 ASN 22 HB2 ASN 22 -8.752 16.634 -0.125 165 HB3 ASN 22 HB3 ASN 22 -7.620 16.382 -1.444 166 HD21 ASN 22 HD21 ASN 22 -11.004 15.249 -1.169 167 HD22 ASN 22 HD22 ASN 22 -11.560 16.128 -2.543 168 H GLN 23 H GLN 23 -8.151 12.786 1.107 169 HA GLN 23 HA GLN 23 -5.477 13.617 1.957 170 HB2 GLN 23 HB2 GLN 23 -7.491 11.702 3.215 171 HB3 GLN 23 HB3 GLN 23 -5.882 12.019 3.856 172 HG2 GLN 23 HG2 GLN 23 -6.482 14.401 4.181 173 HG3 GLN 23 HG3 GLN 23 -8.105 14.067 3.579 174 HE21 GLN 23 HE21 GLN 23 -5.846 13.435 6.186 175 HE22 GLN 23 HE22 GLN 23 -7.028 12.969 7.354 176 H GLY 24 H GLY 24 -4.060 12.792 0.536 177 HA2 GLY 24 HA2 GLY 24 -4.176 10.217 -0.663 178 HA3 GLY 24 HA3 GLY 24 -2.770 11.266 -0.577 179 H GLU 25 H GLU 25 -3.010 11.377 2.408 180 HA GLU 25 HA GLU 25 -1.141 9.470 3.163 181 HB2 GLU 25 HB2 GLU 25 -1.829 10.070 5.522 182 HB3 GLU 25 HB3 GLU 25 -1.478 11.450 4.489 183 HG2 GLU 25 HG2 GLU 25 -3.895 11.821 4.146 184 HG3 GLU 25 HG3 GLU 25 -4.251 10.440 5.184 185 H LEU 26 H LEU 26 -4.673 9.357 3.445 186 HA LEU 26 HA LEU 26 -4.833 6.839 4.806 187 HB2 LEU 26 HB2 LEU 26 -6.873 8.447 3.255 188 HB3 LEU 26 HB3 LEU 26 -7.274 7.052 4.237 189 HG LEU 26 HG LEU 26 -6.006 9.551 5.427 190 HD11 LEU 26 HD11 LEU 26 -8.102 10.229 4.335 191 HD12 LEU 26 HD12 LEU 26 -8.257 10.279 6.088 192 HD13 LEU 26 HD13 LEU 26 -8.972 8.945 5.177 193 HD21 LEU 26 HD21 LEU 26 -7.622 7.301 6.635 194 HD22 LEU 26 HD22 LEU 26 -6.973 8.692 7.507 195 HD23 LEU 26 HD23 LEU 26 -5.874 7.520 6.782 196 H MET 27 H MET 27 -5.071 7.927 1.423 197 HA MET 27 HA MET 27 -5.892 5.475 0.251 198 HB2 MET 27 HB2 MET 27 -4.427 7.847 -0.970 199 HB3 MET 27 HB3 MET 27 -5.014 6.482 -1.905 200 HG2 MET 27 HG2 MET 27 -7.331 7.035 -0.970 201 HG3 MET 27 HG3 MET 27 -6.629 8.566 -0.449 202 HE1 MET 27 HE1 MET 27 -4.515 8.932 -2.950 203 HE2 MET 27 HE2 MET 27 -5.427 10.252 -2.199 204 HE3 MET 27 HE3 MET 27 -5.478 10.022 -3.950 205 H GLY 28 H GLY 28 -2.740 6.866 0.945 206 HA2 GLY 28 HA2 GLY 28 -1.123 4.953 -0.394 207 HA3 GLY 28 HA3 GLY 28 -0.609 6.072 0.862 208 H ARG 29 H ARG 29 -2.252 5.346 2.962 209 HA ARG 29 HA ARG 29 -1.044 3.060 4.088 210 HB2 ARG 29 HB2 ARG 29 -3.574 4.574 4.863 211 HB3 ARG 29 HB3 ARG 29 -2.913 3.253 5.826 212 HG2 ARG 29 HG2 ARG 29 -0.833 4.527 6.174 213 HG3 ARG 29 HG3 ARG 29 -1.476 5.854 5.204 214 HD2 ARG 29 HD2 ARG 29 -1.711 6.327 7.606 215 HD3 ARG 29 HD3 ARG 29 -3.293 6.180 6.831 216 HE ARG 29 HE ARG 29 -2.458 3.687 7.914 217 HH11 ARG 29 HH11 ARG 29 -3.814 6.781 8.942 218 HH12 ARG 29 HH12 ARG 29 -4.556 6.106 10.355 219 HH21 ARG 29 HH21 ARG 29 -3.434 2.841 9.751 220 HH22 ARG 29 HH22 ARG 29 -4.339 3.875 10.810 221 H ALA 30 H ALA 30 -4.113 3.528 2.382 222 HA ALA 30 HA ALA 30 -5.331 1.033 2.842 223 HB1 ALA 30 HB1 ALA 30 -5.615 2.858 0.420 224 HB2 ALA 30 HB2 ALA 30 -6.531 2.984 1.925 225 HB3 ALA 30 HB3 ALA 30 -6.735 1.569 0.892 226 H LEU 31 H LEU 31 -3.335 2.171 0.109 227 HA LEU 31 HA LEU 31 -3.285 -0.269 -1.348 228 HB2 LEU 31 HB2 LEU 31 -1.391 2.121 -1.425 229 HB3 LEU 31 HB3 LEU 31 -1.450 0.851 -2.643 230 HG LEU 31 HG LEU 31 -3.795 2.680 -2.003 231 HD11 LEU 31 HD11 LEU 31 -1.840 2.928 -4.296 232 HD12 LEU 31 HD12 LEU 31 -1.933 3.996 -2.896 233 HD13 LEU 31 HD13 LEU 31 -3.279 3.916 -4.030 234 HD21 LEU 31 HD21 LEU 31 -3.356 0.763 -4.314 235 HD22 LEU 31 HD22 LEU 31 -4.735 1.847 -4.111 236 HD23 LEU 31 HD23 LEU 31 -4.474 0.537 -2.963 237 H TYR 32 H TYR 32 -1.097 1.184 1.015 238 HA TYR 32 HA TYR 32 1.085 -0.578 0.891 239 HB2 TYR 32 HB2 TYR 32 1.151 1.586 2.099 240 HB3 TYR 32 HB3 TYR 32 -0.032 1.003 3.263 241 HD1 TYR 32 HD2 TYR 32 3.366 0.126 1.915 242 HD2 TYR 32 HD1 TYR 32 0.781 0.150 5.325 243 HE1 TYR 32 HE2 TYR 32 5.198 -0.708 3.315 244 HE2 TYR 32 HE1 TYR 32 2.624 -0.682 6.722 245 HH TYR 32 HH TYR 32 4.732 -1.941 6.417 246 H ASN 33 H ASN 33 -1.927 -0.680 2.751 247 HA ASN 33 HA ASN 33 -1.320 -3.018 4.273 248 HB2 ASN 33 HB2 ASN 33 -3.869 -1.460 3.751 249 HB3 ASN 33 HB3 ASN 33 -3.895 -2.961 4.666 250 HD21 ASN 33 HD21 ASN 33 -1.236 -0.592 4.855 251 HD22 ASN 33 HD22 ASN 33 -1.565 -0.132 6.481 252 H ILE 34 H ILE 34 -3.273 -2.422 1.349 253 HA ILE 34 HA ILE 34 -4.103 -5.052 0.802 254 HB ILE 34 HB ILE 34 -3.524 -2.776 -1.164 255 HG12 ILE 34 HG12 ILE 34 -6.195 -3.668 0.005 256 HG13 ILE 34 HG13 ILE 34 -5.276 -2.283 0.572 257 HG21 ILE 34 HG21 ILE 34 -5.111 -5.319 -1.653 258 HG22 ILE 34 HG22 ILE 34 -3.554 -4.913 -2.376 259 HG23 ILE 34 HG23 ILE 34 -4.985 -3.962 -2.773 260 HD11 ILE 34 HD11 ILE 34 -6.501 -2.592 -2.172 261 HD12 ILE 34 HD12 ILE 34 -5.548 -1.212 -1.620 262 HD13 ILE 34 HD13 ILE 34 -7.093 -1.580 -0.854 263 H GLY 35 H GLY 35 -1.079 -3.356 0.142 264 HA2 GLY 35 HA2 GLY 35 0.194 -5.209 -1.556 265 HA3 GLY 35 HA3 GLY 35 0.988 -4.033 -0.520 266 H LEU 36 H LEU 36 0.239 -4.845 1.986 267 HA LEU 36 HA LEU 36 1.959 -7.021 2.568 268 HB2 LEU 36 HB2 LEU 36 -0.189 -5.731 4.302 269 HB3 LEU 36 HB3 LEU 36 1.050 -6.824 4.900 270 HG LEU 36 HG LEU 36 1.644 -4.118 3.627 271 HD11 LEU 36 HD11 LEU 36 0.416 -3.799 5.720 272 HD12 LEU 36 HD12 LEU 36 2.091 -3.276 5.875 273 HD13 LEU 36 HD13 LEU 36 1.580 -4.815 6.577 274 HD21 LEU 36 HD21 LEU 36 3.503 -5.698 3.415 275 HD22 LEU 36 HD22 LEU 36 3.466 -6.007 5.152 276 HD23 LEU 36 HD23 LEU 36 3.903 -4.407 4.547 277 H GLU 37 H GLU 37 -1.529 -6.787 2.090 278 HA GLU 37 HA GLU 37 -2.227 -9.420 2.919 279 HB2 GLU 37 HB2 GLU 37 -3.702 -7.515 1.057 280 HB3 GLU 37 HB3 GLU 37 -4.386 -8.978 1.751 281 HG2 GLU 37 HG2 GLU 37 -3.581 -6.454 3.200 282 HG3 GLU 37 HG3 GLU 37 -5.199 -7.117 3.019 283 H LYS 38 H LYS 38 -1.360 -8.005 -0.211 284 HA LYS 38 HA LYS 38 -1.763 -10.333 -1.802 285 HB2 LYS 38 HB2 LYS 38 -0.491 -7.641 -2.150 286 HB3 LYS 38 HB3 LYS 38 0.201 -8.898 -3.162 287 HG2 LYS 38 HG2 LYS 38 -1.548 -7.598 -4.308 288 HG3 LYS 38 HG3 LYS 38 -1.934 -9.317 -4.210 289 HD2 LYS 38 HD2 LYS 38 -3.540 -8.910 -2.431 290 HD3 LYS 38 HD3 LYS 38 -3.057 -7.212 -2.327 291 HE2 LYS 38 HE2 LYS 38 -5.189 -7.502 -3.555 292 HE3 LYS 38 HE3 LYS 38 -3.941 -6.785 -4.569 293 HZ1 LYS 38 HZ1 LYS 38 -5.255 -8.513 -5.695 294 HZ2 LYS 38 HZ2 LYS 38 -4.681 -9.665 -4.595 295 HZ3 LYS 38 HZ3 LYS 38 -3.607 -8.890 -5.645 296 H ASN 39 H ASN 39 0.987 -9.007 -0.016 297 HA ASN 39 HA ASN 39 3.049 -10.619 -1.066 298 HB2 ASN 39 HB2 ASN 39 3.225 -8.436 0.342 299 HB3 ASN 39 HB3 ASN 39 3.053 -9.455 1.764 300 HD21 ASN 39 HD21 ASN 39 5.264 -7.774 1.160 301 HD22 ASN 39 HD22 ASN 39 6.664 -8.774 1.001 302 H LYS 40 H LYS 40 0.934 -11.062 1.763 303 HA LYS 40 HA LYS 40 2.162 -13.505 2.666 304 HB2 LYS 40 HB2 LYS 40 0.340 -13.622 4.300 305 HB3 LYS 40 HB3 LYS 40 1.005 -11.997 4.236 306 HG2 LYS 40 HG2 LYS 40 -0.928 -11.287 2.830 307 HG3 LYS 40 HG3 LYS 40 -1.599 -12.911 2.981 308 HD2 LYS 40 HD2 LYS 40 -2.686 -11.375 4.563 309 HD3 LYS 40 HD3 LYS 40 -1.785 -12.617 5.433 310 HE2 LYS 40 HE2 LYS 40 0.007 -11.045 5.919 311 HE3 LYS 40 HE3 LYS 40 -0.736 -9.817 4.891 312 HZ1 LYS 40 HZ1 LYS 40 -2.027 -10.928 7.324 313 HZ2 LYS 40 HZ2 LYS 40 -2.545 -9.606 6.403 314 HZ3 LYS 40 HZ3 LYS 40 -1.119 -9.508 7.305 315 H MET 41 H MET 41 -0.357 -12.764 0.353 316 HA MET 41 HA MET 41 -1.353 -15.513 0.198 317 HB2 MET 41 HB2 MET 41 -2.036 -12.991 -1.370 318 HB3 MET 41 HB3 MET 41 -2.718 -14.562 -1.765 319 HG2 MET 41 HG2 MET 41 -3.668 -14.663 0.543 320 HG3 MET 41 HG3 MET 41 -3.107 -13.016 0.804 321 HE1 MET 41 HE1 MET 41 -3.718 -11.621 -2.075 322 HE2 MET 41 HE2 MET 41 -4.054 -10.908 -0.495 323 HE3 MET 41 HE3 MET 41 -5.323 -10.986 -1.714 324 H GLY 42 H GLY 42 1.486 -14.290 -0.719 325 HA2 GLY 42 HA2 GLY 42 3.122 -15.097 -2.119 326 HA3 GLY 42 HA3 GLY 42 1.976 -16.262 -2.760 327 H LYS 43 H LYS 43 0.724 -13.153 -2.903 328 HA LYS 43 HA LYS 43 1.164 -12.912 -5.798 329 HB2 LYS 43 HB2 LYS 43 -0.681 -11.336 -3.941 330 HB3 LYS 43 HB3 LYS 43 -0.694 -11.306 -5.703 331 HG2 LYS 43 HG2 LYS 43 -1.371 -13.680 -5.740 332 HG3 LYS 43 HG3 LYS 43 -1.364 -13.701 -3.972 333 HD2 LYS 43 HD2 LYS 43 -3.162 -11.985 -3.947 334 HD3 LYS 43 HD3 LYS 43 -3.165 -11.967 -5.713 335 HE2 LYS 43 HE2 LYS 43 -3.775 -14.405 -5.661 336 HE3 LYS 43 HE3 LYS 43 -3.926 -14.282 -3.911 337 HZ1 LYS 43 HZ1 LYS 43 -5.700 -12.746 -4.144 338 HZ2 LYS 43 HZ2 LYS 43 -6.044 -14.068 -5.141 339 HZ3 LYS 43 HZ3 LYS 43 -5.482 -12.624 -5.816 340 H VAL 44 H VAL 44 3.422 -12.500 -4.827 341 HA VAL 44 HA VAL 44 4.043 -10.142 -3.396 342 HB VAL 44 HB VAL 44 5.828 -12.063 -4.959 343 HG11 VAL 44 HG11 VAL 44 7.001 -9.950 -4.549 344 HG12 VAL 44 HG12 VAL 44 7.684 -11.247 -3.567 345 HG13 VAL 44 HG13 VAL 44 6.613 -10.053 -2.829 346 HG21 VAL 44 HG21 VAL 44 4.517 -13.187 -3.183 347 HG22 VAL 44 HG22 VAL 44 5.145 -12.043 -1.994 348 HG23 VAL 44 HG23 VAL 44 6.241 -13.168 -2.799 349 H LYS 45 H LYS 45 3.982 -10.926 -6.846 350 HA LYS 45 HA LYS 45 5.451 -8.740 -7.865 351 HB2 LYS 45 HB2 LYS 45 3.206 -10.369 -9.118 352 HB3 LYS 45 HB3 LYS 45 4.153 -9.182 -10.011 353 HG2 LYS 45 HG2 LYS 45 6.189 -10.467 -9.670 354 HG3 LYS 45 HG3 LYS 45 5.331 -11.624 -8.645 355 HD2 LYS 45 HD2 LYS 45 3.957 -12.339 -10.547 356 HD3 LYS 45 HD3 LYS 45 4.704 -11.120 -11.586 357 HE2 LYS 45 HE2 LYS 45 5.647 -13.362 -11.994 358 HE3 LYS 45 HE3 LYS 45 6.876 -12.257 -11.384 359 HZ1 LYS 45 HZ1 LYS 45 5.435 -14.300 -9.776 360 HZ2 LYS 45 HZ2 LYS 45 6.620 -13.249 -9.191 361 HZ3 LYS 45 HZ3 LYS 45 7.022 -14.426 -10.334 362 H GLU 46 H GLU 46 1.968 -9.144 -7.225 363 HA GLU 46 HA GLU 46 1.139 -6.552 -8.081 364 HB2 GLU 46 HB2 GLU 46 -0.236 -8.358 -6.038 365 HB3 GLU 46 HB3 GLU 46 -0.971 -7.021 -6.916 366 HG2 GLU 46 HG2 GLU 46 -0.671 -8.263 -9.042 367 HG3 GLU 46 HG3 GLU 46 0.025 -9.609 -8.141 368 H ALA 47 H ALA 47 2.104 -7.957 -4.972 369 HA ALA 47 HA ALA 47 1.456 -5.954 -3.173 370 HB1 ALA 47 HB1 ALA 47 3.146 -6.943 -1.696 371 HB2 ALA 47 HB2 ALA 47 3.859 -7.803 -3.065 372 HB3 ALA 47 HB3 ALA 47 2.229 -8.204 -2.524 373 H ILE 48 H ILE 48 4.415 -6.351 -5.108 374 HA ILE 48 HA ILE 48 5.996 -4.227 -4.285 375 HB ILE 48 HB ILE 48 5.605 -5.414 -7.074 376 HG12 ILE 48 HG12 ILE 48 7.839 -5.824 -5.043 377 HG13 ILE 48 HG13 ILE 48 6.501 -6.937 -5.304 378 HG21 ILE 48 HG21 ILE 48 6.537 -3.137 -7.350 379 HG22 ILE 48 HG22 ILE 48 7.722 -4.369 -7.784 380 HG23 ILE 48 HG23 ILE 48 7.842 -3.540 -6.234 381 HD11 ILE 48 HD11 ILE 48 8.595 -6.213 -7.348 382 HD12 ILE 48 HD12 ILE 48 7.274 -7.368 -7.565 383 HD13 ILE 48 HD13 ILE 48 8.538 -7.681 -6.380 384 H GLU 49 H GLU 49 3.494 -4.227 -6.837 385 HA GLU 49 HA GLU 49 3.808 -1.512 -7.580 386 HB2 GLU 49 HB2 GLU 49 1.458 -3.391 -8.044 387 HB3 GLU 49 HB3 GLU 49 1.677 -1.827 -8.836 388 HG2 GLU 49 HG2 GLU 49 3.785 -2.638 -9.853 389 HG3 GLU 49 HG3 GLU 49 3.542 -4.211 -9.088 390 H TYR 50 H TYR 50 1.756 -3.090 -5.192 391 HA TYR 50 HA TYR 50 0.145 -0.805 -4.596 392 HB2 TYR 50 HB2 TYR 50 0.725 -3.372 -3.083 393 HB3 TYR 50 HB3 TYR 50 -0.285 -2.100 -2.415 394 HD1 TYR 50 HD2 TYR 50 -2.313 -1.314 -3.905 395 HD2 TYR 50 HD1 TYR 50 -0.278 -5.035 -4.425 396 HE1 TYR 50 HE2 TYR 50 -4.252 -2.209 -5.124 397 HE2 TYR 50 HE1 TYR 50 -2.206 -5.927 -5.641 398 HH TYR 50 HH TYR 50 -4.800 -3.937 -6.691 399 H PHE 51 H PHE 51 3.243 -2.033 -3.345 400 HA PHE 51 HA PHE 51 3.523 -0.024 -1.294 401 HB2 PHE 51 HB2 PHE 51 5.664 -1.746 -2.616 402 HB3 PHE 51 HB3 PHE 51 5.900 -0.777 -1.166 403 HD1 PHE 51 HD1 PHE 51 3.304 -1.478 0.278 404 HD2 PHE 51 HD2 PHE 51 6.165 -3.907 -1.792 405 HE1 PHE 51 HE1 PHE 51 2.687 -3.411 1.666 406 HE2 PHE 51 HE2 PHE 51 5.526 -5.838 -0.401 407 HZ PHE 51 HZ PHE 51 3.789 -5.587 1.326 408 H LEU 52 H LEU 52 4.224 -0.217 -4.718 409 HA LEU 52 HA LEU 52 6.095 1.965 -4.918 410 HB2 LEU 52 HB2 LEU 52 4.261 0.715 -7.014 411 HB3 LEU 52 HB3 LEU 52 5.449 1.952 -7.386 412 HG LEU 52 HG LEU 52 6.075 -0.838 -6.355 413 HD11 LEU 52 HD11 LEU 52 5.272 -0.875 -8.664 414 HD12 LEU 52 HD12 LEU 52 6.986 -1.271 -8.581 415 HD13 LEU 52 HD13 LEU 52 6.476 0.332 -9.122 416 HD21 LEU 52 HD21 LEU 52 7.720 0.805 -5.573 417 HD22 LEU 52 HD22 LEU 52 7.986 1.340 -7.234 418 HD23 LEU 52 HD23 LEU 52 8.414 -0.303 -6.752 419 H ARG 53 H ARG 53 2.635 1.568 -5.509 420 HA ARG 53 HA ARG 53 1.951 4.240 -6.070 421 HB2 ARG 53 HB2 ARG 53 0.294 1.957 -4.924 422 HB3 ARG 53 HB3 ARG 53 -0.383 3.512 -5.400 423 HG2 ARG 53 HG2 ARG 53 0.333 3.126 -7.720 424 HG3 ARG 53 HG3 ARG 53 1.015 1.564 -7.257 425 HD2 ARG 53 HD2 ARG 53 -1.204 1.315 -8.292 426 HD3 ARG 53 HD3 ARG 53 -1.210 0.765 -6.614 427 HE ARG 53 HE ARG 53 -2.007 3.463 -6.683 428 HH11 ARG 53 HH11 ARG 53 -3.238 0.314 -7.672 429 HH12 ARG 53 HH12 ARG 53 -4.896 0.783 -7.498 430 HH21 ARG 53 HH21 ARG 53 -4.166 4.042 -6.372 431 HH22 ARG 53 HH22 ARG 53 -5.428 2.913 -6.753 432 H ALA 54 H ALA 54 1.757 2.330 -3.044 433 HA ALA 54 HA ALA 54 0.670 4.223 -1.330 434 HB1 ALA 54 HB1 ALA 54 0.929 1.840 -0.751 435 HB2 ALA 54 HB2 ALA 54 1.613 2.876 0.501 436 HB3 ALA 54 HB3 ALA 54 2.679 2.047 -0.639 437 H LYS 55 H LYS 55 4.092 3.501 -1.965 438 HA LYS 55 HA LYS 55 5.322 5.315 -0.241 439 HB2 LYS 55 HB2 LYS 55 6.556 3.501 -1.356 440 HB3 LYS 55 HB3 LYS 55 6.260 4.223 -2.935 441 HG2 LYS 55 HG2 LYS 55 7.637 6.176 -2.310 442 HG3 LYS 55 HG3 LYS 55 7.923 5.463 -0.721 443 HD2 LYS 55 HD2 LYS 55 9.096 3.555 -1.797 444 HD3 LYS 55 HD3 LYS 55 8.818 4.292 -3.382 445 HE2 LYS 55 HE2 LYS 55 10.463 5.465 -1.112 446 HE3 LYS 55 HE3 LYS 55 11.084 4.798 -2.623 447 HZ1 LYS 55 HZ1 LYS 55 9.328 7.193 -2.405 448 HZ2 LYS 55 HZ2 LYS 55 9.994 6.573 -3.830 449 HZ3 LYS 55 HZ3 LYS 55 11.004 7.224 -2.645 450 H LYS 56 H LYS 56 4.457 5.676 -3.682 451 HA LYS 56 HA LYS 56 5.548 8.275 -4.011 452 HB2 LYS 56 HB2 LYS 56 5.229 6.653 -5.861 453 HB3 LYS 56 HB3 LYS 56 3.483 6.806 -5.703 454 HG2 LYS 56 HG2 LYS 56 3.540 9.104 -6.465 455 HG3 LYS 56 HG3 LYS 56 5.303 9.137 -6.391 456 HD2 LYS 56 HD2 LYS 56 4.499 8.913 -8.718 457 HD3 LYS 56 HD3 LYS 56 5.446 7.508 -8.223 458 HE2 LYS 56 HE2 LYS 56 3.340 6.249 -7.832 459 HE3 LYS 56 HE3 LYS 56 2.411 7.658 -8.355 460 HZ1 LYS 56 HZ1 LYS 56 4.331 6.112 -10.020 461 HZ2 LYS 56 HZ2 LYS 56 3.501 7.492 -10.529 462 HZ3 LYS 56 HZ3 LYS 56 2.644 6.083 -10.155 463 H VAL 57 H VAL 57 2.348 7.116 -3.102 464 HA VAL 57 HA VAL 57 1.028 9.664 -3.286 465 HB VAL 57 HB VAL 57 0.151 7.096 -1.870 466 HG11 VAL 57 HG11 VAL 57 -1.008 9.049 -0.924 467 HG12 VAL 57 HG12 VAL 57 -2.120 8.067 -1.878 468 HG13 VAL 57 HG13 VAL 57 -1.476 9.569 -2.545 469 HG21 VAL 57 HG21 VAL 57 0.381 6.840 -4.334 470 HG22 VAL 57 HG22 VAL 57 -0.699 8.210 -4.576 471 HG23 VAL 57 HG23 VAL 57 -1.307 6.727 -3.831 472 H PHE 58 H PHE 58 2.715 7.831 -0.731 473 HA PHE 58 HA PHE 58 2.268 9.695 1.396 474 HB2 PHE 58 HB2 PHE 58 4.477 7.632 0.987 475 HB3 PHE 58 HB3 PHE 58 4.381 8.649 2.418 476 HD1 PHE 58 HD2 PHE 58 1.480 8.604 3.052 477 HD2 PHE 58 HD1 PHE 58 4.075 5.451 1.758 478 HE1 PHE 58 HE2 PHE 58 0.060 6.944 4.185 479 HE2 PHE 58 HE1 PHE 58 2.648 3.807 2.897 480 HZ PHE 58 HZ PHE 58 0.646 4.554 4.110 481 H ASP 59 H ASP 59 4.642 9.476 -1.216 482 HA ASP 59 HA ASP 59 6.381 11.564 -0.336 483 HB2 ASP 59 HB2 ASP 59 5.927 10.212 -3.020 484 HB3 ASP 59 HB3 ASP 59 6.956 11.633 -2.935 485 H ALA 60 H ALA 60 3.408 11.504 -2.207 486 HA ALA 60 HA ALA 60 3.336 14.261 -2.957 487 HB1 ALA 60 HB1 ALA 60 0.952 13.832 -3.463 488 HB2 ALA 60 HB2 ALA 60 1.057 12.273 -2.638 489 HB3 ALA 60 HB3 ALA 60 1.989 12.557 -4.109 490 H GLU 61 H GLU 61 2.351 12.490 -0.082 491 HA GLU 61 HA GLU 61 1.085 14.790 1.197 492 HB2 GLU 61 HB2 GLU 61 1.690 11.985 2.240 493 HB3 GLU 61 HB3 GLU 61 0.743 13.199 3.094 494 HG2 GLU 61 HG2 GLU 61 0.004 12.025 0.407 495 HG3 GLU 61 HG3 GLU 61 -0.625 11.474 1.953 496 H HIS 62 H HIS 62 4.221 13.610 0.826 497 HA HIS 62 HA HIS 62 6.239 13.979 1.702 498 HB2 HIS 62 HB2 HIS 62 4.878 16.336 3.068 499 HB3 HIS 62 HB3 HIS 62 6.616 16.054 3.113 500 HD1 HIS 62 HD1 HIS 62 7.904 17.136 1.312 501 HD2 HIS 62 HD2 HIS 62 3.949 16.594 0.209 502 HE1 HIS 62 HE1 HIS 62 7.680 18.242 -0.918 503 HE2 HIS 62 HE2 HIS 62 5.314 17.778 -1.628 504 H ASP 63 H ASP 63 4.209 12.291 3.038 505 HA ASP 63 HA ASP 63 5.100 12.001 5.773 506 HB2 ASP 63 HB2 ASP 63 2.783 11.323 4.974 507 HB3 ASP 63 HB3 ASP 63 3.519 10.049 4.015 508 H THR 64 H THR 64 7.332 11.891 5.500 509 HA THR 64 HA THR 64 8.641 10.422 3.496 510 HB THR 64 HB THR 64 9.756 12.340 4.457 511 HG1 THR 64 HG1 THR 64 10.930 10.170 3.891 512 HG21 THR 64 HG21 THR 64 9.924 10.799 7.072 513 HG22 THR 64 HG22 THR 64 8.958 12.246 6.781 514 HG23 THR 64 HG23 THR 64 10.718 12.339 6.735 515 H ASP 65 H ASP 65 7.822 9.563 6.842 516 HA ASP 65 HA ASP 65 9.592 7.343 7.016 517 HB2 ASP 65 HB2 ASP 65 8.696 8.560 9.011 518 HB3 ASP 65 HB3 ASP 65 7.101 7.885 8.692 519 H GLY 66 H GLY 66 6.120 7.640 6.213 520 HA2 GLY 66 HA2 GLY 66 5.564 4.851 6.020 521 HA3 GLY 66 HA3 GLY 66 4.610 6.153 5.325 522 H ALA 67 H ALA 67 6.549 7.290 3.624 523 HA ALA 67 HA ALA 67 6.484 5.703 1.304 524 HB1 ALA 67 HB1 ALA 67 8.356 8.003 1.977 525 HB2 ALA 67 HB2 ALA 67 6.745 8.152 1.270 526 HB3 ALA 67 HB3 ALA 67 8.036 7.373 0.355 527 H ARG 68 H ARG 68 9.081 6.253 3.649 528 HA ARG 68 HA ARG 68 11.041 4.584 2.406 529 HB2 ARG 68 HB2 ARG 68 10.856 5.776 5.199 530 HB3 ARG 68 HB3 ARG 68 12.262 4.895 4.604 531 HG2 ARG 68 HG2 ARG 68 12.549 6.578 2.801 532 HG3 ARG 68 HG3 ARG 68 11.152 7.463 3.421 533 HD2 ARG 68 HD2 ARG 68 13.197 8.520 4.192 534 HD3 ARG 68 HD3 ARG 68 12.354 7.805 5.565 535 HE ARG 68 HE ARG 68 13.958 5.950 5.450 536 HH11 ARG 68 HH11 ARG 68 14.918 8.972 3.909 537 HH12 ARG 68 HH12 ARG 68 16.613 8.625 4.015 538 HH21 ARG 68 HH21 ARG 68 16.173 5.486 5.529 539 HH22 ARG 68 HH22 ARG 68 17.320 6.646 4.933 540 H ARG 69 H ARG 69 8.474 4.019 4.712 541 HA ARG 69 HA ARG 69 9.388 1.455 5.665 542 HB2 ARG 69 HB2 ARG 69 7.829 3.025 6.922 543 HB3 ARG 69 HB3 ARG 69 6.561 2.595 5.780 544 HG2 ARG 69 HG2 ARG 69 6.853 0.181 6.514 545 HG3 ARG 69 HG3 ARG 69 7.957 0.764 7.760 546 HD2 ARG 69 HD2 ARG 69 5.023 1.472 7.474 547 HD3 ARG 69 HD3 ARG 69 5.737 0.418 8.698 548 HE ARG 69 HE ARG 69 6.963 2.946 8.865 549 HH11 ARG 69 HH11 ARG 69 3.818 1.480 9.484 550 HH12 ARG 69 HH12 ARG 69 3.404 2.629 10.718 551 HH21 ARG 69 HH21 ARG 69 6.385 4.434 10.476 552 HH22 ARG 69 HH22 ARG 69 4.857 4.302 11.279 553 H ALA 70 H ALA 70 7.253 2.648 3.121 554 HA ALA 70 HA ALA 70 6.245 0.160 2.191 555 HB1 ALA 70 HB1 ALA 70 5.198 2.299 1.597 556 HB2 ALA 70 HB2 ALA 70 5.648 1.403 0.144 557 HB3 ALA 70 HB3 ALA 70 6.631 2.772 0.682 558 H ALA 71 H ALA 71 9.171 1.997 1.599 559 HA ALA 71 HA ALA 71 10.224 0.423 -0.528 560 HB1 ALA 71 HB1 ALA 71 12.308 1.647 -0.084 561 HB2 ALA 71 HB2 ALA 71 11.634 2.269 1.424 562 HB3 ALA 71 HB3 ALA 71 10.920 2.735 -0.123 563 H LYS 72 H LYS 72 10.409 0.173 3.002 564 HA LYS 72 HA LYS 72 12.382 -1.886 3.154 565 HB2 LYS 72 HB2 LYS 72 10.164 -1.093 5.093 566 HB3 LYS 72 HB3 LYS 72 11.431 -2.251 5.470 567 HG2 LYS 72 HG2 LYS 72 13.139 -0.507 5.226 568 HG3 LYS 72 HG3 LYS 72 11.891 0.663 4.783 569 HD2 LYS 72 HD2 LYS 72 10.851 0.379 7.029 570 HD3 LYS 72 HD3 LYS 72 12.133 -0.759 7.466 571 HE2 LYS 72 HE2 LYS 72 12.546 1.519 8.369 572 HE3 LYS 72 HE3 LYS 72 13.814 1.013 7.249 573 HZ1 LYS 72 HZ1 LYS 72 13.110 3.306 6.873 574 HZ2 LYS 72 HZ2 LYS 72 11.531 2.795 6.560 575 HZ3 LYS 72 HZ3 LYS 72 12.786 2.345 5.521 576 H SER 73 H SER 73 8.836 -1.867 3.141 577 HA SER 73 HA SER 73 8.380 -4.650 3.222 578 HB2 SER 73 HB2 SER 73 6.649 -2.417 2.089 579 HB3 SER 73 HB3 SER 73 6.089 -4.046 2.471 580 HG SER 73 HG SER 73 6.551 -1.915 4.132 581 H LEU 74 H LEU 74 9.070 -2.426 0.591 582 HA LEU 74 HA LEU 74 8.673 -4.154 -1.601 583 HB2 LEU 74 HB2 LEU 74 10.207 -1.603 -1.138 584 HB3 LEU 74 HB3 LEU 74 10.603 -2.520 -2.579 585 HG LEU 74 HG LEU 74 7.797 -1.581 -1.912 586 HD11 LEU 74 HD11 LEU 74 8.039 0.124 -3.621 587 HD12 LEU 74 HD12 LEU 74 9.730 -0.326 -3.864 588 HD13 LEU 74 HD13 LEU 74 9.215 0.371 -2.327 589 HD21 LEU 74 HD21 LEU 74 7.347 -2.156 -4.275 590 HD22 LEU 74 HD22 LEU 74 7.815 -3.552 -3.308 591 HD23 LEU 74 HD23 LEU 74 8.984 -2.816 -4.409 592 H SER 75 H SER 75 11.616 -3.428 0.322 593 HA SER 75 HA SER 75 13.419 -5.127 -0.968 594 HB2 SER 75 HB2 SER 75 13.343 -4.436 2.003 595 HB3 SER 75 HB3 SER 75 14.755 -4.991 1.095 596 HG SER 75 HG SER 75 13.446 -2.520 1.033 597 H GLU 76 H GLU 76 11.268 -5.781 1.769 598 HA GLU 76 HA GLU 76 11.757 -8.432 2.304 599 HB2 GLU 76 HB2 GLU 76 10.270 -6.505 3.381 600 HB3 GLU 76 HB3 GLU 76 8.980 -7.209 2.425 601 HG2 GLU 76 HG2 GLU 76 10.637 -8.690 4.461 602 HG3 GLU 76 HG3 GLU 76 9.088 -7.941 4.800 603 H ALA 77 H ALA 77 9.648 -6.967 -0.152 604 HA ALA 77 HA ALA 77 8.359 -9.377 -0.987 605 HB1 ALA 77 HB1 ALA 77 7.420 -7.977 -2.771 606 HB2 ALA 77 HB2 ALA 77 8.543 -6.677 -2.358 607 HB3 ALA 77 HB3 ALA 77 7.297 -7.172 -1.207 608 H TYR 78 H TYR 78 11.113 -7.462 -2.225 609 HA TYR 78 HA TYR 78 11.366 -8.650 -4.756 610 HB2 TYR 78 HB2 TYR 78 13.401 -7.203 -3.023 611 HB3 TYR 78 HB3 TYR 78 13.775 -7.741 -4.660 612 HD1 TYR 78 HD2 TYR 78 11.319 -7.060 -6.158 613 HD2 TYR 78 HD1 TYR 78 13.339 -4.847 -3.104 614 HE1 TYR 78 HE2 TYR 78 10.369 -4.970 -7.036 615 HE2 TYR 78 HE1 TYR 78 12.392 -2.763 -3.987 616 HH TYR 78 HH TYR 78 11.406 -1.858 -5.945 617 H GLN 79 H GLN 79 12.446 -9.812 -1.653 618 HA GLN 79 HA GLN 79 14.457 -11.658 -2.375 619 HB2 GLN 79 HB2 GLN 79 12.434 -12.098 -0.133 620 HB3 GLN 79 HB3 GLN 79 14.088 -12.694 -0.215 621 HG2 GLN 79 HG2 GLN 79 14.915 -10.369 0.013 622 HG3 GLN 79 HG3 GLN 79 13.247 -9.806 0.144 623 HE21 GLN 79 HE21 GLN 79 12.023 -10.427 2.024 624 HE22 GLN 79 HE22 GLN 79 12.823 -10.879 3.484 625 H LYS 80 H LYS 80 10.963 -11.898 -2.220 626 HA LYS 80 HA LYS 80 10.773 -14.726 -2.751 627 HB2 LYS 80 HB2 LYS 80 8.618 -12.570 -2.661 628 HB3 LYS 80 HB3 LYS 80 8.345 -14.312 -2.568 629 HG2 LYS 80 HG2 LYS 80 9.359 -14.468 -0.412 630 HG3 LYS 80 HG3 LYS 80 10.051 -12.847 -0.529 631 HD2 LYS 80 HD2 LYS 80 7.772 -11.870 -0.415 632 HD3 LYS 80 HD3 LYS 80 7.078 -13.492 -0.295 633 HE2 LYS 80 HE2 LYS 80 8.204 -13.858 1.831 634 HE3 LYS 80 HE3 LYS 80 9.046 -12.313 1.691 635 HZ1 LYS 80 HZ1 LYS 80 7.115 -12.275 3.197 636 HZ2 LYS 80 HZ2 LYS 80 6.096 -12.576 1.879 637 HZ3 LYS 80 HZ3 LYS 80 7.002 -11.152 1.941 638 H VAL 81 H VAL 81 10.729 -11.791 -4.630 639 HA VAL 81 HA VAL 81 9.555 -12.833 -7.041 640 HB VAL 81 HB VAL 81 11.420 -10.435 -6.727 641 HG11 VAL 81 HG11 VAL 81 10.376 -9.555 -8.785 642 HG12 VAL 81 HG12 VAL 81 9.409 -11.026 -8.932 643 HG13 VAL 81 HG13 VAL 81 11.165 -11.107 -9.090 644 HG21 VAL 81 HG21 VAL 81 9.486 -10.246 -5.222 645 HG22 VAL 81 HG22 VAL 81 8.391 -10.488 -6.587 646 HG23 VAL 81 HG23 VAL 81 9.414 -9.051 -6.518 647 H GLU 82 H GLU 82 12.760 -12.835 -5.626 648 HA GLU 82 HA GLU 82 14.190 -13.831 -7.902 649 HB2 GLU 82 HB2 GLU 82 14.859 -14.129 -4.942 650 HB3 GLU 82 HB3 GLU 82 15.970 -14.397 -6.279 651 HG2 GLU 82 HG2 GLU 82 14.735 -11.757 -5.461 652 HG3 GLU 82 HG3 GLU 82 16.406 -12.247 -5.220 653 H GLY 83 H GLY 83 11.753 -15.234 -6.065 654 HA2 GLY 83 HA2 GLY 83 10.829 -17.314 -6.010 655 HA3 GLY 83 HA3 GLY 83 11.942 -17.795 -7.283 656 H SER 84 H SER 84 12.290 -16.745 -3.904 657 HA SER 84 HA SER 84 13.558 -19.127 -2.980 658 HB2 SER 84 HB2 SER 84 15.869 -18.101 -2.700 659 HB3 SER 84 HB3 SER 84 15.420 -18.361 -4.385 660 HG SER 84 HG SER 84 14.572 -15.956 -3.835 661 H GLY 85 H GLY 85 13.341 -19.153 -0.805 662 HA2 GLY 85 HA2 GLY 85 13.185 -18.526 1.384 663 HA3 GLY 85 HA3 GLY 85 13.979 -17.027 0.927 664 H ASP 86 H ASP 86 10.783 -18.432 0.085 665 HA ASP 86 HA ASP 86 9.381 -15.983 0.604 666 HB2 ASP 86 HB2 ASP 86 7.320 -17.207 0.177 667 HB3 ASP 86 HB3 ASP 86 8.511 -17.664 -1.030 668 H LYS 87 H LYS 87 8.075 -15.476 2.363 669 HA LYS 87 HA LYS 87 8.135 -17.036 4.798 670 HB2 LYS 87 HB2 LYS 87 9.331 -15.087 6.041 671 HB3 LYS 87 HB3 LYS 87 10.324 -16.177 5.083 672 HG2 LYS 87 HG2 LYS 87 10.414 -14.529 3.247 673 HG3 LYS 87 HG3 LYS 87 9.386 -13.431 4.165 674 HD2 LYS 87 HD2 LYS 87 12.160 -14.352 5.009 675 HD3 LYS 87 HD3 LYS 87 11.786 -12.803 4.250 676 HE2 LYS 87 HE2 LYS 87 10.797 -13.749 6.962 677 HE3 LYS 87 HE3 LYS 87 12.017 -12.513 6.658 678 HZ1 LYS 87 HZ1 LYS 87 10.317 -11.187 5.532 679 HZ2 LYS 87 HZ2 LYS 87 9.913 -11.490 7.146 680 HZ3 LYS 87 HZ3 LYS 87 9.148 -12.351 5.911 681 H GLY 88 H GLY 88 6.132 -16.825 5.446 682 HA2 GLY 88 HA2 GLY 88 4.897 -14.188 5.802 683 HA3 GLY 88 HA3 GLY 88 4.068 -15.339 4.756 684 H LYS 89 H LYS 89 4.778 -14.438 7.996 685 HA LYS 89 HA LYS 89 3.984 -16.736 9.414 686 HB2 LYS 89 HB2 LYS 89 3.596 -15.140 11.327 687 HB3 LYS 89 HB3 LYS 89 5.168 -14.961 10.556 688 HG2 LYS 89 HG2 LYS 89 4.364 -12.992 9.320 689 HG3 LYS 89 HG3 LYS 89 2.774 -13.163 10.072 690 HD2 LYS 89 HD2 LYS 89 3.794 -12.776 12.305 691 HD3 LYS 89 HD3 LYS 89 5.380 -12.600 11.546 692 HE2 LYS 89 HE2 LYS 89 4.550 -10.632 10.291 693 HE3 LYS 89 HE3 LYS 89 2.978 -10.803 11.072 694 HZ1 LYS 89 HZ1 LYS 89 4.097 -10.468 13.218 695 HZ2 LYS 89 HZ2 LYS 89 4.242 -9.138 12.189 696 HZ3 LYS 89 HZ3 LYS 89 5.554 -10.183 12.411 697 H ILE 90 H ILE 90 2.061 -17.674 9.601 698 HA ILE 90 HA ILE 90 -0.220 -16.599 8.167 699 HB ILE 90 HB ILE 90 -1.245 -18.853 8.630 700 HG12 ILE 90 HG12 ILE 90 1.409 -19.401 10.056 701 HG13 ILE 90 HG13 ILE 90 -0.180 -19.351 10.808 702 HG21 ILE 90 HG21 ILE 90 0.277 -20.127 7.159 703 HG22 ILE 90 HG22 ILE 90 1.557 -18.945 7.435 704 HG23 ILE 90 HG23 ILE 90 0.084 -18.470 6.584 705 HD11 ILE 90 HD11 ILE 90 0.792 -21.410 8.825 706 HD12 ILE 90 HD12 ILE 90 -0.838 -21.339 9.503 707 HD13 ILE 90 HD13 ILE 90 0.545 -21.625 10.556 708 H PHE 91 H PHE 91 0.747 -15.940 11.203 709 HA PHE 91 HA PHE 91 -1.513 -16.297 12.853 710 HB2 PHE 91 HB2 PHE 91 0.696 -14.195 12.977 711 HB3 PHE 91 HB3 PHE 91 -0.491 -14.458 14.251 712 HD1 PHE 91 HD2 PHE 91 -0.498 -16.626 15.528 713 HD2 PHE 91 HD1 PHE 91 2.625 -15.648 12.768 714 HE1 PHE 91 HE2 PHE 91 0.930 -18.359 16.515 715 HE2 PHE 91 HE1 PHE 91 4.041 -17.381 13.773 716 HZ PHE 91 HZ PHE 91 3.204 -18.741 15.648 717 H GLN 92 H GLN 92 -3.401 -15.191 13.017 718 HA GLN 92 HA GLN 92 -3.899 -12.819 11.326 719 HB2 GLN 92 HB2 GLN 92 -5.445 -14.698 11.019 720 HB3 GLN 92 HB3 GLN 92 -5.816 -14.733 12.739 721 HG2 GLN 92 HG2 GLN 92 -6.933 -12.562 12.585 722 HG3 GLN 92 HG3 GLN 92 -6.449 -12.402 10.897 723 HE21 GLN 92 HE21 GLN 92 -7.527 -13.625 9.321 724 HE22 GLN 92 HE22 GLN 92 -9.037 -14.402 9.633 725 H LYS 93 H LYS 93 -4.427 -10.834 12.237 726 HA LYS 93 HA LYS 93 -3.758 -10.366 14.993 727 HB2 LYS 93 HB2 LYS 93 -4.951 -8.463 12.936 728 HB3 LYS 93 HB3 LYS 93 -4.283 -7.992 14.496 729 HG2 LYS 93 HG2 LYS 93 -2.051 -8.816 13.765 730 HG3 LYS 93 HG3 LYS 93 -2.736 -9.207 12.182 731 HD2 LYS 93 HD2 LYS 93 -3.367 -6.799 11.900 732 HD3 LYS 93 HD3 LYS 93 -2.593 -6.435 13.442 733 HE2 LYS 93 HE2 LYS 93 -0.426 -7.168 12.510 734 HE3 LYS 93 HE3 LYS 93 -1.211 -7.512 10.966 735 HZ1 LYS 93 HZ1 LYS 93 -1.000 -4.851 12.276 736 HZ2 LYS 93 HZ2 LYS 93 -1.826 -5.156 10.835 737 HZ3 LYS 93 HZ3 LYS 93 -0.152 -5.364 10.904 738 H GLU 94 H GLU 94 -5.146 -10.730 16.633 739 HA GLU 94 HA GLU 94 -7.997 -10.834 16.379 740 HB2 GLU 94 HB2 GLU 94 -6.383 -10.540 18.955 741 HB3 GLU 94 HB3 GLU 94 -8.031 -11.132 18.807 742 HG2 GLU 94 HG2 GLU 94 -5.498 -12.517 17.894 743 HG3 GLU 94 HG3 GLU 94 -6.568 -13.009 19.203 744 H GLY 95 H GLY 95 -8.839 -8.935 15.622 745 HA2 GLY 95 HA2 GLY 95 -7.957 -6.322 16.327 746 HA3 GLY 95 HA3 GLY 95 -9.429 -6.723 15.454 747 H GLU 96 H GLU 96 -8.037 -5.996 18.538 748 HA GLU 96 HA GLU 96 -10.184 -6.682 20.255 749 HB2 GLU 96 HB2 GLU 96 -8.023 -4.573 20.688 750 HB3 GLU 96 HB3 GLU 96 -9.018 -5.314 21.943 751 HG2 GLU 96 HG2 GLU 96 -7.983 -7.517 21.441 752 HG3 GLU 96 HG3 GLU 96 -6.975 -6.751 20.212 753 H SER 97 H SER 97 -12.142 -5.889 19.700 754 HA SER 97 HA SER 97 -12.554 -3.030 19.095 755 HB2 SER 97 HB2 SER 97 -14.536 -5.361 19.040 756 HB3 SER 97 HB3 SER 97 -14.806 -3.737 18.394 757 HG SER 97 HG SER 97 -12.743 -5.480 17.520 758 H ILE 98 H ILE 98 -13.701 -1.656 20.491 759 HA ILE 98 HA ILE 98 -14.041 -2.643 23.251 760 HB ILE 98 HB ILE 98 -14.140 0.244 22.247 761 HG12 ILE 98 HG12 ILE 98 -11.869 -1.223 23.656 762 HG13 ILE 98 HG13 ILE 98 -11.894 -0.810 21.950 763 HG21 ILE 98 HG21 ILE 98 -14.033 -0.845 25.089 764 HG22 ILE 98 HG22 ILE 98 -15.412 -0.042 24.334 765 HG23 ILE 98 HG23 ILE 98 -13.930 0.860 24.647 766 HD11 ILE 98 HD11 ILE 98 -10.500 0.714 23.188 767 HD12 ILE 98 HD12 ILE 98 -11.844 1.162 24.236 768 HD13 ILE 98 HD13 ILE 98 -11.887 1.564 22.517 769 H LEU 99 H LEU 99 -15.960 -3.521 23.552 770 HA LEU 99 HA LEU 99 -18.407 -1.968 23.003 771 HB2 LEU 99 HB2 LEU 99 -18.301 -4.010 21.569 772 HB3 LEU 99 HB3 LEU 99 -18.057 -5.002 22.998 773 HG LEU 99 HG LEU 99 -20.349 -4.345 23.803 774 HD11 LEU 99 HD11 LEU 99 -21.929 -3.294 22.255 775 HD12 LEU 99 HD12 LEU 99 -20.628 -3.026 21.094 776 HD13 LEU 99 HD13 LEU 99 -20.598 -2.214 22.662 777 HD21 LEU 99 HD21 LEU 99 -21.599 -5.771 22.254 778 HD22 LEU 99 HD22 LEU 99 -20.016 -6.456 22.612 779 HD23 LEU 99 HD23 LEU 99 -20.297 -5.647 21.066 780 H GLU 100 H GLU 100 -18.699 -1.062 24.965 781 HA GLU 100 HA GLU 100 -19.149 -0.730 27.142 782 HB2 GLU 100 HB2 GLU 100 -19.477 -3.748 27.287 783 HB3 GLU 100 HB3 GLU 100 -19.937 -2.631 28.568 784 HG2 GLU 100 HG2 GLU 100 -21.640 -1.629 27.177 785 HG3 GLU 100 HG3 GLU 100 -21.122 -2.564 25.772 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -15.073 -20.117 1.883 2 H2 GLY 1 H2 GLY 1 -14.885 -19.618 3.484 3 H3 GLY 1 H3 GLY 1 -13.611 -19.445 2.393 4 HA2 GLY 1 HA2 GLY 1 -14.872 -17.847 1.108 5 HA3 GLY 1 HA3 GLY 1 -16.215 -18.032 2.229 6 H GLY 2 H GLY 2 -14.867 -15.576 1.594 7 HA2 GLY 2 HA2 GLY 2 -14.483 -13.639 2.775 8 HA3 GLY 2 HA3 GLY 2 -14.660 -14.553 4.262 9 H SER 3 H SER 3 -12.300 -15.393 1.820 10 HA SER 3 HA SER 3 -10.084 -15.390 3.589 11 HB2 SER 3 HB2 SER 3 -8.788 -15.847 1.484 12 HB3 SER 3 HB3 SER 3 -10.221 -16.861 1.626 13 HG SER 3 HG SER 3 -10.996 -14.704 0.353 14 HA PRO 4 HA PRO 4 -8.393 -11.304 3.779 15 HB2 PRO 4 HB2 PRO 4 -5.754 -11.493 2.766 16 HB3 PRO 4 HB3 PRO 4 -6.265 -11.895 4.416 17 HG2 PRO 4 HG2 PRO 4 -5.875 -13.727 2.073 18 HG3 PRO 4 HG3 PRO 4 -5.408 -13.957 3.775 19 HD2 PRO 4 HD2 PRO 4 -7.571 -15.180 2.816 20 HD3 PRO 4 HD3 PRO 4 -7.615 -14.467 4.448 21 H ASP 5 H ASP 5 -8.417 -12.720 0.607 22 HA ASP 5 HA ASP 5 -7.604 -10.462 -0.929 23 HB2 ASP 5 HB2 ASP 5 -7.717 -12.957 -1.644 24 HB3 ASP 5 HB3 ASP 5 -9.430 -12.700 -1.938 25 H GLU 6 H GLU 6 -10.759 -11.611 0.220 26 HA GLU 6 HA GLU 6 -12.315 -9.533 -1.015 27 HB2 GLU 6 HB2 GLU 6 -13.006 -11.377 1.318 28 HB3 GLU 6 HB3 GLU 6 -14.137 -10.261 0.566 29 HG2 GLU 6 HG2 GLU 6 -14.695 -12.293 -0.413 30 HG3 GLU 6 HG3 GLU 6 -13.670 -11.546 -1.632 31 H ASN 7 H ASN 7 -10.587 -9.908 1.996 32 HA ASN 7 HA ASN 7 -11.580 -7.586 3.351 33 HB2 ASN 7 HB2 ASN 7 -10.543 -9.479 4.553 34 HB3 ASN 7 HB3 ASN 7 -9.010 -9.194 3.734 35 HD21 ASN 7 HD21 ASN 7 -7.822 -8.797 5.553 36 HD22 ASN 7 HD22 ASN 7 -8.056 -7.421 6.569 37 H ILE 8 H ILE 8 -9.024 -8.212 1.065 38 HA ILE 8 HA ILE 8 -7.667 -5.709 1.118 39 HB ILE 8 HB ILE 8 -7.843 -8.031 -0.836 40 HG12 ILE 8 HG12 ILE 8 -5.441 -6.848 0.627 41 HG13 ILE 8 HG13 ILE 8 -6.461 -8.118 1.292 42 HG21 ILE 8 HG21 ILE 8 -6.131 -6.988 -2.298 43 HG22 ILE 8 HG22 ILE 8 -6.337 -5.473 -1.421 44 HG23 ILE 8 HG23 ILE 8 -7.680 -6.140 -2.346 45 HD11 ILE 8 HD11 ILE 8 -4.756 -8.304 -1.174 46 HD12 ILE 8 HD12 ILE 8 -5.849 -9.565 -0.599 47 HD13 ILE 8 HD13 ILE 8 -4.476 -9.070 0.389 48 H ALA 9 H ALA 9 -10.326 -7.014 -0.859 49 HA ALA 9 HA ALA 9 -10.903 -4.758 -2.432 50 HB1 ALA 9 HB1 ALA 9 -13.116 -5.799 -2.742 51 HB2 ALA 9 HB2 ALA 9 -12.801 -6.886 -1.385 52 HB3 ALA 9 HB3 ALA 9 -11.828 -7.002 -2.854 53 H LYS 10 H LYS 10 -11.937 -5.653 0.840 54 HA LYS 10 HA LYS 10 -13.769 -3.584 1.392 55 HB2 LYS 10 HB2 LYS 10 -13.504 -5.614 2.787 56 HB3 LYS 10 HB3 LYS 10 -11.897 -5.095 3.264 57 HG2 LYS 10 HG2 LYS 10 -12.962 -3.082 4.365 58 HG3 LYS 10 HG3 LYS 10 -14.537 -3.805 4.025 59 HD2 LYS 10 HD2 LYS 10 -12.330 -4.966 5.765 60 HD3 LYS 10 HD3 LYS 10 -13.864 -4.306 6.324 61 HE2 LYS 10 HE2 LYS 10 -13.493 -6.824 4.659 62 HE3 LYS 10 HE3 LYS 10 -13.896 -6.758 6.373 63 HZ1 LYS 10 HZ1 LYS 10 -15.991 -5.673 5.785 64 HZ2 LYS 10 HZ2 LYS 10 -15.845 -7.186 5.050 65 HZ3 LYS 10 HZ3 LYS 10 -15.606 -5.783 4.145 66 H PHE 11 H PHE 11 -10.243 -3.806 1.903 67 HA PHE 11 HA PHE 11 -9.888 -1.248 3.094 68 HB2 PHE 11 HB2 PHE 11 -7.895 -3.062 1.682 69 HB3 PHE 11 HB3 PHE 11 -7.435 -1.588 2.516 70 HD1 PHE 11 HD2 PHE 11 -9.233 -1.900 4.990 71 HD2 PHE 11 HD1 PHE 11 -6.672 -4.654 2.938 72 HE1 PHE 11 HE2 PHE 11 -8.886 -3.159 7.079 73 HE2 PHE 11 HE1 PHE 11 -6.331 -5.894 5.032 74 HZ PHE 11 HZ PHE 11 -7.435 -5.150 7.101 75 H GLU 12 H GLU 12 -10.019 -2.311 -0.255 76 HA GLU 12 HA GLU 12 -8.941 0.060 -1.451 77 HB2 GLU 12 HB2 GLU 12 -10.653 -2.194 -2.586 78 HB3 GLU 12 HB3 GLU 12 -10.090 -0.841 -3.563 79 HG2 GLU 12 HG2 GLU 12 -7.755 -1.457 -3.124 80 HG3 GLU 12 HG3 GLU 12 -8.287 -2.776 -2.083 81 H LYS 13 H LYS 13 -12.185 -0.959 -0.494 82 HA LYS 13 HA LYS 13 -13.598 1.279 -1.568 83 HB2 LYS 13 HB2 LYS 13 -14.715 -0.836 -0.876 84 HB3 LYS 13 HB3 LYS 13 -14.300 -0.504 0.803 85 HG2 LYS 13 HG2 LYS 13 -15.699 1.587 0.675 86 HG3 LYS 13 HG3 LYS 13 -16.174 1.119 -0.957 87 HD2 LYS 13 HD2 LYS 13 -17.946 0.502 0.564 88 HD3 LYS 13 HD3 LYS 13 -17.187 -0.976 -0.021 89 HE2 LYS 13 HE2 LYS 13 -16.501 0.286 2.658 90 HE3 LYS 13 HE3 LYS 13 -17.774 -0.915 2.456 91 HZ1 LYS 13 HZ1 LYS 13 -14.869 -1.286 1.999 92 HZ2 LYS 13 HZ2 LYS 13 -16.039 -2.411 1.521 93 HZ3 LYS 13 HZ3 LYS 13 -15.847 -2.037 3.157 94 H ALA 14 H ALA 14 -12.245 0.547 1.652 95 HA ALA 14 HA ALA 14 -12.768 3.010 2.921 96 HB1 ALA 14 HB1 ALA 14 -10.512 1.041 3.451 97 HB2 ALA 14 HB2 ALA 14 -12.128 0.983 4.154 98 HB3 ALA 14 HB3 ALA 14 -11.052 2.321 4.552 99 H TYR 15 H TYR 15 -10.201 2.000 0.735 100 HA TYR 15 HA TYR 15 -8.500 4.257 1.041 101 HB2 TYR 15 HB2 TYR 15 -7.487 2.342 0.000 102 HB3 TYR 15 HB3 TYR 15 -8.781 2.192 -1.190 103 HD1 TYR 15 HD2 TYR 15 -6.228 4.745 -0.073 104 HD2 TYR 15 HD1 TYR 15 -8.302 2.992 -3.375 105 HE1 TYR 15 HE2 TYR 15 -5.025 6.213 -1.615 106 HE2 TYR 15 HE1 TYR 15 -7.101 4.483 -4.911 107 HH TYR 15 HH TYR 15 -5.957 6.713 -4.780 108 H LYS 16 H LYS 16 -11.167 3.464 -1.208 109 HA LYS 16 HA LYS 16 -10.969 5.734 -2.831 110 HB2 LYS 16 HB2 LYS 16 -13.314 3.915 -2.173 111 HB3 LYS 16 HB3 LYS 16 -13.518 5.300 -3.241 112 HG2 LYS 16 HG2 LYS 16 -11.563 3.020 -3.702 113 HG3 LYS 16 HG3 LYS 16 -13.147 3.169 -4.460 114 HD2 LYS 16 HD2 LYS 16 -10.817 5.103 -4.827 115 HD3 LYS 16 HD3 LYS 16 -11.341 3.874 -5.982 116 HE2 LYS 16 HE2 LYS 16 -13.555 5.024 -6.146 117 HE3 LYS 16 HE3 LYS 16 -12.943 6.290 -5.081 118 HZ1 LYS 16 HZ1 LYS 16 -12.785 6.915 -7.407 119 HZ2 LYS 16 HZ2 LYS 16 -11.791 5.576 -7.725 120 HZ3 LYS 16 HZ3 LYS 16 -11.254 6.805 -6.708 121 H LYS 17 H LYS 17 -12.721 5.249 0.233 122 HA LYS 17 HA LYS 17 -14.023 7.744 0.390 123 HB2 LYS 17 HB2 LYS 17 -14.482 5.792 1.914 124 HB3 LYS 17 HB3 LYS 17 -12.927 6.060 2.694 125 HG2 LYS 17 HG2 LYS 17 -14.685 6.990 4.080 126 HG3 LYS 17 HG3 LYS 17 -13.712 8.317 3.434 127 HD2 LYS 17 HD2 LYS 17 -15.454 8.674 1.664 128 HD3 LYS 17 HD3 LYS 17 -16.428 7.395 2.396 129 HE2 LYS 17 HE2 LYS 17 -16.509 8.751 4.506 130 HE3 LYS 17 HE3 LYS 17 -15.660 10.049 3.660 131 HZ1 LYS 17 HZ1 LYS 17 -18.317 8.934 2.907 132 HZ2 LYS 17 HZ2 LYS 17 -17.508 10.164 2.084 133 HZ3 LYS 17 HZ3 LYS 17 -18.043 10.416 3.662 134 H ALA 18 H ALA 18 -10.876 6.667 1.604 135 HA ALA 18 HA ALA 18 -9.861 8.994 2.753 136 HB1 ALA 18 HB1 ALA 18 -8.833 6.777 2.973 137 HB2 ALA 18 HB2 ALA 18 -7.650 7.948 2.383 138 HB3 ALA 18 HB3 ALA 18 -8.386 6.794 1.267 139 H GLU 19 H GLU 19 -9.872 7.933 -0.614 140 HA GLU 19 HA GLU 19 -8.013 9.847 -1.663 141 HB2 GLU 19 HB2 GLU 19 -8.309 7.564 -2.602 142 HB3 GLU 19 HB3 GLU 19 -9.969 7.953 -3.055 143 HG2 GLU 19 HG2 GLU 19 -9.001 9.803 -4.528 144 HG3 GLU 19 HG3 GLU 19 -7.411 9.108 -4.209 145 H GLU 20 H GLU 20 -11.543 9.552 -1.537 146 HA GLU 20 HA GLU 20 -12.109 11.776 -3.254 147 HB2 GLU 20 HB2 GLU 20 -13.915 10.484 -1.168 148 HB3 GLU 20 HB3 GLU 20 -14.432 11.579 -2.446 149 HG2 GLU 20 HG2 GLU 20 -13.360 8.774 -2.771 150 HG3 GLU 20 HG3 GLU 20 -14.998 9.322 -3.059 151 H LEU 21 H LEU 21 -11.396 11.407 0.119 152 HA LEU 21 HA LEU 21 -11.971 14.199 0.773 153 HB2 LEU 21 HB2 LEU 21 -10.814 11.922 2.448 154 HB3 LEU 21 HB3 LEU 21 -11.214 13.519 3.060 155 HG LEU 21 HG LEU 21 -13.229 11.519 1.938 156 HD11 LEU 21 HD11 LEU 21 -12.740 12.314 4.831 157 HD12 LEU 21 HD12 LEU 21 -12.352 10.759 4.091 158 HD13 LEU 21 HD13 LEU 21 -14.034 11.260 4.244 159 HD21 LEU 21 HD21 LEU 21 -14.962 13.048 2.776 160 HD22 LEU 21 HD22 LEU 21 -13.970 13.805 1.533 161 HD23 LEU 21 HD23 LEU 21 -13.720 14.221 3.231 162 H ASN 22 H ASN 22 -9.458 12.416 -0.600 163 HA ASN 22 HA ASN 22 -7.367 12.851 -1.327 164 HB2 ASN 22 HB2 ASN 22 -8.614 14.907 -2.155 165 HB3 ASN 22 HB3 ASN 22 -8.050 15.773 -0.737 166 HD21 ASN 22 HD21 ASN 22 -5.881 16.423 -0.639 167 HD22 ASN 22 HD22 ASN 22 -4.851 16.438 -2.023 168 H GLN 23 H GLN 23 -7.674 12.131 1.374 169 HA GLN 23 HA GLN 23 -5.754 13.709 2.958 170 HB2 GLN 23 HB2 GLN 23 -7.544 11.361 3.744 171 HB3 GLN 23 HB3 GLN 23 -6.456 12.213 4.840 172 HG2 GLN 23 HG2 GLN 23 -7.736 14.311 4.428 173 HG3 GLN 23 HG3 GLN 23 -8.864 13.395 3.427 174 HE21 GLN 23 HE21 GLN 23 -10.199 11.821 4.453 175 HE22 GLN 23 HE22 GLN 23 -10.559 11.920 6.138 176 H GLY 24 H GLY 24 -3.843 13.207 1.951 177 HA2 GLY 24 HA2 GLY 24 -3.019 10.835 0.832 178 HA3 GLY 24 HA3 GLY 24 -1.945 12.105 1.372 179 H GLU 25 H GLU 25 -2.775 11.668 4.270 180 HA GLU 25 HA GLU 25 -0.967 9.598 5.011 181 HB2 GLU 25 HB2 GLU 25 -1.477 11.396 6.592 182 HB3 GLU 25 HB3 GLU 25 -3.178 10.938 6.632 183 HG2 GLU 25 HG2 GLU 25 -2.641 8.842 7.744 184 HG3 GLU 25 HG3 GLU 25 -0.914 9.164 7.597 185 H LEU 26 H LEU 26 -4.528 9.743 5.037 186 HA LEU 26 HA LEU 26 -5.064 7.061 5.718 187 HB2 LEU 26 HB2 LEU 26 -6.627 9.299 4.437 188 HB3 LEU 26 HB3 LEU 26 -7.305 7.689 4.337 189 HG LEU 26 HG LEU 26 -6.660 9.133 6.932 190 HD11 LEU 26 HD11 LEU 26 -9.102 9.299 7.189 191 HD12 LEU 26 HD12 LEU 26 -9.333 8.576 5.592 192 HD13 LEU 26 HD13 LEU 26 -8.553 10.151 5.748 193 HD21 LEU 26 HD21 LEU 26 -7.869 7.266 7.995 194 HD22 LEU 26 HD22 LEU 26 -6.434 6.700 7.149 195 HD23 LEU 26 HD23 LEU 26 -8.030 6.468 6.428 196 H MET 27 H MET 27 -4.575 8.628 2.593 197 HA MET 27 HA MET 27 -5.470 6.508 0.926 198 HB2 MET 27 HB2 MET 27 -3.659 8.896 0.357 199 HB3 MET 27 HB3 MET 27 -4.283 7.821 -0.890 200 HG2 MET 27 HG2 MET 27 -6.523 8.532 -0.510 201 HG3 MET 27 HG3 MET 27 -6.080 9.366 0.979 202 HE1 MET 27 HE1 MET 27 -4.031 9.462 -2.430 203 HE2 MET 27 HE2 MET 27 -4.792 10.852 -3.204 204 HE3 MET 27 HE3 MET 27 -5.716 9.373 -2.949 205 H GLY 28 H GLY 28 -2.211 7.644 1.831 206 HA2 GLY 28 HA2 GLY 28 -0.690 5.680 0.513 207 HA3 GLY 28 HA3 GLY 28 -0.165 6.638 1.890 208 H ARG 29 H ARG 29 -1.905 5.822 3.876 209 HA ARG 29 HA ARG 29 -0.732 3.441 4.830 210 HB2 ARG 29 HB2 ARG 29 -3.208 4.961 5.746 211 HB3 ARG 29 HB3 ARG 29 -2.672 3.496 6.565 212 HG2 ARG 29 HG2 ARG 29 -0.525 4.591 7.122 213 HG3 ARG 29 HG3 ARG 29 -1.058 6.060 6.297 214 HD2 ARG 29 HD2 ARG 29 -2.912 6.308 7.895 215 HD3 ARG 29 HD3 ARG 29 -2.449 4.809 8.702 216 HE ARG 29 HE ARG 29 -0.761 7.249 8.646 217 HH11 ARG 29 HH11 ARG 29 -2.008 4.459 10.388 218 HH12 ARG 29 HH12 ARG 29 -1.168 4.844 11.858 219 HH21 ARG 29 HH21 ARG 29 0.268 7.801 10.590 220 HH22 ARG 29 HH22 ARG 29 0.134 6.753 11.971 221 H ALA 30 H ALA 30 -3.831 4.043 3.212 222 HA ALA 30 HA ALA 30 -5.030 1.522 3.669 223 HB1 ALA 30 HB1 ALA 30 -6.598 2.135 1.880 224 HB2 ALA 30 HB2 ALA 30 -5.539 3.463 1.385 225 HB3 ALA 30 HB3 ALA 30 -6.321 3.494 2.968 226 H LEU 31 H LEU 31 -3.314 2.795 0.813 227 HA LEU 31 HA LEU 31 -3.302 0.452 -0.755 228 HB2 LEU 31 HB2 LEU 31 -1.363 2.797 -0.699 229 HB3 LEU 31 HB3 LEU 31 -1.435 1.604 -1.989 230 HG LEU 31 HG LEU 31 -3.830 3.329 -1.262 231 HD11 LEU 31 HD11 LEU 31 -1.694 3.970 -3.310 232 HD12 LEU 31 HD12 LEU 31 -2.025 4.854 -1.823 233 HD13 LEU 31 HD13 LEU 31 -3.222 4.830 -3.113 234 HD21 LEU 31 HD21 LEU 31 -4.335 1.307 -2.556 235 HD22 LEU 31 HD22 LEU 31 -3.155 1.779 -3.785 236 HD23 LEU 31 HD23 LEU 31 -4.600 2.760 -3.521 237 H TYR 32 H TYR 32 -1.055 1.670 1.672 238 HA TYR 32 HA TYR 32 1.058 -0.174 1.311 239 HB2 TYR 32 HB2 TYR 32 1.322 1.965 2.546 240 HB3 TYR 32 HB3 TYR 32 0.234 1.387 3.807 241 HD1 TYR 32 HD2 TYR 32 3.197 -0.120 2.038 242 HD2 TYR 32 HD1 TYR 32 1.459 0.973 5.783 243 HE1 TYR 32 HE2 TYR 32 5.125 -1.072 3.206 244 HE2 TYR 32 HE1 TYR 32 3.399 0.016 6.958 245 HH TYR 32 HH TYR 32 6.233 -1.107 5.216 246 H ASN 33 H ASN 33 -1.793 -0.166 3.409 247 HA ASN 33 HA ASN 33 -1.215 -2.485 4.949 248 HB2 ASN 33 HB2 ASN 33 -2.790 -0.632 5.627 249 HB3 ASN 33 HB3 ASN 33 -3.919 -1.167 4.384 250 HD21 ASN 33 HD21 ASN 33 -5.492 -1.500 5.971 251 HD22 ASN 33 HD22 ASN 33 -5.457 -2.854 7.044 252 H ILE 34 H ILE 34 -3.210 -1.889 2.075 253 HA ILE 34 HA ILE 34 -4.217 -4.444 1.516 254 HB ILE 34 HB ILE 34 -3.382 -2.190 -0.380 255 HG12 ILE 34 HG12 ILE 34 -6.199 -2.985 0.479 256 HG13 ILE 34 HG13 ILE 34 -5.258 -1.743 1.293 257 HG21 ILE 34 HG21 ILE 34 -4.812 -3.277 -2.109 258 HG22 ILE 34 HG22 ILE 34 -4.996 -4.671 -1.044 259 HG23 ILE 34 HG23 ILE 34 -3.405 -4.253 -1.675 260 HD11 ILE 34 HD11 ILE 34 -6.098 -1.673 -1.601 261 HD12 ILE 34 HD12 ILE 34 -5.197 -0.421 -0.740 262 HD13 ILE 34 HD13 ILE 34 -6.853 -0.797 -0.270 263 H GLY 35 H GLY 35 -1.184 -2.868 0.523 264 HA2 GLY 35 HA2 GLY 35 -0.101 -4.900 -1.076 265 HA3 GLY 35 HA3 GLY 35 0.811 -3.637 -0.258 266 H LEU 36 H LEU 36 0.210 -4.249 2.406 267 HA LEU 36 HA LEU 36 2.086 -6.254 3.033 268 HB2 LEU 36 HB2 LEU 36 -0.059 -4.959 4.758 269 HB3 LEU 36 HB3 LEU 36 1.175 -6.036 5.399 270 HG LEU 36 HG LEU 36 1.752 -3.368 4.035 271 HD11 LEU 36 HD11 LEU 36 1.787 -4.049 6.991 272 HD12 LEU 36 HD12 LEU 36 0.604 -3.029 6.168 273 HD13 LEU 36 HD13 LEU 36 2.286 -2.516 6.268 274 HD21 LEU 36 HD21 LEU 36 3.621 -5.249 5.511 275 HD22 LEU 36 HD22 LEU 36 4.039 -3.654 4.879 276 HD23 LEU 36 HD23 LEU 36 3.600 -4.948 3.768 277 H GLU 37 H GLU 37 -1.478 -6.297 2.937 278 HA GLU 37 HA GLU 37 -1.870 -8.921 3.919 279 HB2 GLU 37 HB2 GLU 37 -3.640 -7.300 2.037 280 HB3 GLU 37 HB3 GLU 37 -4.130 -8.772 2.872 281 HG2 GLU 37 HG2 GLU 37 -3.465 -6.096 4.101 282 HG3 GLU 37 HG3 GLU 37 -5.038 -6.880 4.044 283 H LYS 38 H LYS 38 -1.606 -7.681 0.583 284 HA LYS 38 HA LYS 38 -1.801 -10.074 -0.861 285 HB2 LYS 38 HB2 LYS 38 -0.313 -7.469 -1.372 286 HB3 LYS 38 HB3 LYS 38 -0.265 -8.775 -2.543 287 HG2 LYS 38 HG2 LYS 38 -2.805 -7.415 -1.589 288 HG3 LYS 38 HG3 LYS 38 -1.929 -6.996 -3.067 289 HD2 LYS 38 HD2 LYS 38 -2.285 -9.338 -3.896 290 HD3 LYS 38 HD3 LYS 38 -3.237 -9.680 -2.448 291 HE2 LYS 38 HE2 LYS 38 -4.861 -7.933 -3.115 292 HE3 LYS 38 HE3 LYS 38 -3.905 -7.603 -4.564 293 HZ1 LYS 38 HZ1 LYS 38 -5.744 -9.048 -5.083 294 HZ2 LYS 38 HZ2 LYS 38 -5.272 -10.163 -3.907 295 HZ3 LYS 38 HZ3 LYS 38 -4.298 -9.907 -5.271 296 H ASN 39 H ASN 39 0.976 -8.546 0.713 297 HA ASN 39 HA ASN 39 3.019 -10.287 -0.248 298 HB2 ASN 39 HB2 ASN 39 3.391 -7.934 0.577 299 HB3 ASN 39 HB3 ASN 39 3.039 -8.473 2.213 300 HD21 ASN 39 HD21 ASN 39 5.046 -7.849 2.963 301 HD22 ASN 39 HD22 ASN 39 6.511 -8.669 2.558 302 H LYS 40 H LYS 40 0.854 -10.395 2.522 303 HA LYS 40 HA LYS 40 2.180 -12.523 3.953 304 HB2 LYS 40 HB2 LYS 40 -0.655 -11.401 4.167 305 HB3 LYS 40 HB3 LYS 40 0.020 -12.592 5.280 306 HG2 LYS 40 HG2 LYS 40 1.653 -11.037 6.101 307 HG3 LYS 40 HG3 LYS 40 1.282 -9.873 4.831 308 HD2 LYS 40 HD2 LYS 40 -1.035 -9.626 5.826 309 HD3 LYS 40 HD3 LYS 40 -0.514 -10.663 7.164 310 HE2 LYS 40 HE2 LYS 40 1.259 -9.035 7.729 311 HE3 LYS 40 HE3 LYS 40 0.750 -8.009 6.385 312 HZ1 LYS 40 HZ1 LYS 40 -1.395 -7.735 7.477 313 HZ2 LYS 40 HZ2 LYS 40 -0.138 -7.208 8.466 314 HZ3 LYS 40 HZ3 LYS 40 -0.890 -8.693 8.771 315 H MET 41 H MET 41 -0.339 -12.337 1.498 316 HA MET 41 HA MET 41 -1.056 -15.193 1.776 317 HB2 MET 41 HB2 MET 41 -2.998 -14.640 0.396 318 HB3 MET 41 HB3 MET 41 -2.867 -13.499 1.726 319 HG2 MET 41 HG2 MET 41 -1.724 -11.919 0.103 320 HG3 MET 41 HG3 MET 41 -2.209 -13.026 -1.182 321 HE1 MET 41 HE1 MET 41 -5.038 -14.013 -0.099 322 HE2 MET 41 HE2 MET 41 -4.737 -13.545 -1.773 323 HE3 MET 41 HE3 MET 41 -6.104 -12.863 -0.899 324 H GLY 42 H GLY 42 1.381 -13.792 0.243 325 HA2 GLY 42 HA2 GLY 42 2.840 -14.787 -1.247 326 HA3 GLY 42 HA3 GLY 42 1.616 -15.970 -1.663 327 H LYS 43 H LYS 43 0.095 -13.076 -2.020 328 HA LYS 43 HA LYS 43 0.503 -12.984 -4.929 329 HB2 LYS 43 HB2 LYS 43 -1.493 -11.606 -3.084 330 HB3 LYS 43 HB3 LYS 43 -1.464 -11.423 -4.838 331 HG2 LYS 43 HG2 LYS 43 -1.822 -13.902 -5.042 332 HG3 LYS 43 HG3 LYS 43 -2.023 -13.969 -3.285 333 HD2 LYS 43 HD2 LYS 43 -3.983 -12.502 -3.416 334 HD3 LYS 43 HD3 LYS 43 -3.745 -12.283 -5.155 335 HE2 LYS 43 HE2 LYS 43 -4.133 -14.737 -5.471 336 HE3 LYS 43 HE3 LYS 43 -4.474 -14.874 -3.742 337 HZ1 LYS 43 HZ1 LYS 43 -5.996 -13.178 -5.652 338 HZ2 LYS 43 HZ2 LYS 43 -6.340 -13.383 -4.010 339 HZ3 LYS 43 HZ3 LYS 43 -6.487 -14.687 -5.070 340 H VAL 44 H VAL 44 2.730 -12.281 -4.093 341 HA VAL 44 HA VAL 44 3.099 -9.739 -2.867 342 HB VAL 44 HB VAL 44 5.275 -11.378 -4.243 343 HG11 VAL 44 HG11 VAL 44 6.736 -10.416 -2.500 344 HG12 VAL 44 HG12 VAL 44 5.371 -9.508 -1.843 345 HG13 VAL 44 HG13 VAL 44 5.970 -9.151 -3.464 346 HG21 VAL 44 HG21 VAL 44 3.985 -12.895 -2.793 347 HG22 VAL 44 HG22 VAL 44 4.193 -11.794 -1.430 348 HG23 VAL 44 HG23 VAL 44 5.595 -12.605 -2.131 349 H LYS 45 H LYS 45 2.764 -10.746 -6.128 350 HA LYS 45 HA LYS 45 4.217 -8.773 -7.539 351 HB2 LYS 45 HB2 LYS 45 1.834 -10.507 -8.328 352 HB3 LYS 45 HB3 LYS 45 2.556 -9.354 -9.445 353 HG2 LYS 45 HG2 LYS 45 3.426 -11.584 -9.895 354 HG3 LYS 45 HG3 LYS 45 4.720 -10.542 -9.304 355 HD2 LYS 45 HD2 LYS 45 4.429 -11.587 -7.022 356 HD3 LYS 45 HD3 LYS 45 3.251 -12.698 -7.725 357 HE2 LYS 45 HE2 LYS 45 6.158 -12.478 -8.594 358 HE3 LYS 45 HE3 LYS 45 5.526 -13.693 -7.485 359 HZ1 LYS 45 HZ1 LYS 45 4.096 -14.511 -9.259 360 HZ2 LYS 45 HZ2 LYS 45 5.720 -14.565 -9.717 361 HZ3 LYS 45 HZ3 LYS 45 4.711 -13.354 -10.323 362 H GLU 46 H GLU 46 0.810 -8.915 -6.441 363 HA GLU 46 HA GLU 46 0.175 -6.248 -7.330 364 HB2 GLU 46 HB2 GLU 46 -1.368 -7.900 -5.283 365 HB3 GLU 46 HB3 GLU 46 -1.949 -6.506 -6.183 366 HG2 GLU 46 HG2 GLU 46 -2.907 -8.075 -7.517 367 HG3 GLU 46 HG3 GLU 46 -1.314 -8.124 -8.265 368 H ALA 47 H ALA 47 1.401 -7.714 -4.381 369 HA ALA 47 HA ALA 47 1.071 -5.669 -2.525 370 HB1 ALA 47 HB1 ALA 47 3.474 -7.515 -2.756 371 HB2 ALA 47 HB2 ALA 47 1.959 -7.901 -1.941 372 HB3 ALA 47 HB3 ALA 47 2.982 -6.608 -1.317 373 H ILE 48 H ILE 48 3.735 -6.187 -4.830 374 HA ILE 48 HA ILE 48 5.324 -3.951 -4.355 375 HB ILE 48 HB ILE 48 4.752 -5.429 -6.977 376 HG12 ILE 48 HG12 ILE 48 7.097 -5.615 -5.027 377 HG13 ILE 48 HG13 ILE 48 5.824 -6.812 -5.225 378 HG21 ILE 48 HG21 ILE 48 6.792 -4.398 -7.923 379 HG22 ILE 48 HG22 ILE 48 6.968 -3.405 -6.477 380 HG23 ILE 48 HG23 ILE 48 5.578 -3.174 -7.536 381 HD11 ILE 48 HD11 ILE 48 7.875 -6.054 -7.301 382 HD12 ILE 48 HD12 ILE 48 6.588 -7.246 -7.506 383 HD13 ILE 48 HD13 ILE 48 7.855 -7.514 -6.313 384 H GLU 49 H GLU 49 2.628 -4.294 -6.698 385 HA GLU 49 HA GLU 49 2.669 -1.737 -7.814 386 HB2 GLU 49 HB2 GLU 49 0.247 -3.539 -7.380 387 HB3 GLU 49 HB3 GLU 49 0.318 -2.180 -8.501 388 HG2 GLU 49 HG2 GLU 49 2.052 -3.325 -9.815 389 HG3 GLU 49 HG3 GLU 49 2.043 -4.672 -8.674 390 H TYR 50 H TYR 50 0.949 -2.918 -4.958 391 HA TYR 50 HA TYR 50 -0.402 -0.451 -4.416 392 HB2 TYR 50 HB2 TYR 50 -0.148 -3.093 -2.966 393 HB3 TYR 50 HB3 TYR 50 -0.863 -1.703 -2.160 394 HD1 TYR 50 HD2 TYR 50 -2.750 -0.442 -3.528 395 HD2 TYR 50 HD1 TYR 50 -1.611 -4.503 -4.241 396 HE1 TYR 50 HE2 TYR 50 -4.905 -0.855 -4.617 397 HE2 TYR 50 HE1 TYR 50 -3.778 -4.918 -5.339 398 HH TYR 50 HH TYR 50 -6.110 -3.904 -5.269 399 H PHE 51 H PHE 51 2.668 -1.845 -3.311 400 HA PHE 51 HA PHE 51 3.119 0.146 -1.260 401 HB2 PHE 51 HB2 PHE 51 5.136 -1.617 -2.710 402 HB3 PHE 51 HB3 PHE 51 5.513 -0.597 -1.330 403 HD1 PHE 51 HD1 PHE 51 3.094 -1.252 0.418 404 HD2 PHE 51 HD2 PHE 51 5.730 -3.723 -1.879 405 HE1 PHE 51 HE1 PHE 51 2.685 -3.134 1.949 406 HE2 PHE 51 HE2 PHE 51 5.300 -5.602 -0.351 407 HZ PHE 51 HZ PHE 51 3.783 -5.308 1.567 408 H LEU 52 H LEU 52 3.628 -0.103 -4.698 409 HA LEU 52 HA LEU 52 5.428 2.121 -5.033 410 HB2 LEU 52 HB2 LEU 52 3.541 0.766 -7.019 411 HB3 LEU 52 HB3 LEU 52 4.691 2.017 -7.463 412 HG LEU 52 HG LEU 52 5.408 -0.752 -6.413 413 HD11 LEU 52 HD11 LEU 52 6.244 -1.187 -8.679 414 HD12 LEU 52 HD12 LEU 52 5.673 0.400 -9.206 415 HD13 LEU 52 HD13 LEU 52 4.516 -0.830 -8.686 416 HD21 LEU 52 HD21 LEU 52 7.255 1.452 -7.367 417 HD22 LEU 52 HD22 LEU 52 7.730 -0.192 -6.931 418 HD23 LEU 52 HD23 LEU 52 7.075 0.886 -5.704 419 H ARG 53 H ARG 53 1.943 1.607 -5.282 420 HA ARG 53 HA ARG 53 1.092 4.248 -5.814 421 HB2 ARG 53 HB2 ARG 53 -0.321 1.917 -4.440 422 HB3 ARG 53 HB3 ARG 53 -1.121 3.433 -4.843 423 HG2 ARG 53 HG2 ARG 53 -0.773 3.028 -7.227 424 HG3 ARG 53 HG3 ARG 53 0.116 1.544 -6.870 425 HD2 ARG 53 HD2 ARG 53 -1.891 0.566 -5.839 426 HD3 ARG 53 HD3 ARG 53 -2.787 2.062 -6.125 427 HE ARG 53 HE ARG 53 -1.722 0.893 -8.534 428 HH11 ARG 53 HH11 ARG 53 -4.439 0.811 -6.284 429 HH12 ARG 53 HH12 ARG 53 -5.543 0.143 -7.445 430 HH21 ARG 53 HH21 ARG 53 -3.193 0.006 -10.046 431 HH22 ARG 53 HH22 ARG 53 -4.836 -0.314 -9.577 432 H ALA 54 H ALA 54 1.570 2.437 -2.784 433 HA ALA 54 HA ALA 54 0.506 4.310 -0.969 434 HB1 ALA 54 HB1 ALA 54 1.706 3.045 0.765 435 HB2 ALA 54 HB2 ALA 54 2.665 2.228 -0.476 436 HB3 ALA 54 HB3 ALA 54 0.924 1.956 -0.378 437 H LYS 55 H LYS 55 3.848 3.663 -1.969 438 HA LYS 55 HA LYS 55 5.083 5.685 -0.437 439 HB2 LYS 55 HB2 LYS 55 6.276 3.689 -1.361 440 HB3 LYS 55 HB3 LYS 55 6.095 4.340 -2.989 441 HG2 LYS 55 HG2 LYS 55 7.471 6.288 -2.374 442 HG3 LYS 55 HG3 LYS 55 7.621 5.670 -0.726 443 HD2 LYS 55 HD2 LYS 55 8.845 3.687 -1.575 444 HD3 LYS 55 HD3 LYS 55 8.676 4.295 -3.230 445 HE2 LYS 55 HE2 LYS 55 10.161 5.693 -0.975 446 HE3 LYS 55 HE3 LYS 55 10.901 4.807 -2.309 447 HZ1 LYS 55 HZ1 LYS 55 9.262 7.281 -2.549 448 HZ2 LYS 55 HZ2 LYS 55 9.915 6.419 -3.846 449 HZ3 LYS 55 HZ3 LYS 55 10.944 7.166 -2.736 450 H LYS 56 H LYS 56 3.715 5.590 -3.686 451 HA LYS 56 HA LYS 56 4.615 8.014 -4.749 452 HB2 LYS 56 HB2 LYS 56 3.437 6.245 -6.035 453 HB3 LYS 56 HB3 LYS 56 1.939 6.619 -5.193 454 HG2 LYS 56 HG2 LYS 56 1.995 8.911 -6.232 455 HG3 LYS 56 HG3 LYS 56 3.426 8.412 -7.148 456 HD2 LYS 56 HD2 LYS 56 2.075 6.530 -8.136 457 HD3 LYS 56 HD3 LYS 56 0.660 7.154 -7.286 458 HE2 LYS 56 HE2 LYS 56 0.612 7.859 -9.611 459 HE3 LYS 56 HE3 LYS 56 0.846 9.272 -8.580 460 HZ1 LYS 56 HZ1 LYS 56 3.008 7.839 -10.042 461 HZ2 LYS 56 HZ2 LYS 56 3.195 9.240 -9.115 462 HZ3 LYS 56 HZ3 LYS 56 2.287 9.280 -10.535 463 H VAL 57 H VAL 57 1.768 7.283 -2.782 464 HA VAL 57 HA VAL 57 0.728 9.949 -2.715 465 HB VAL 57 HB VAL 57 0.123 7.571 -0.885 466 HG11 VAL 57 HG11 VAL 57 -1.483 10.114 -1.344 467 HG12 VAL 57 HG12 VAL 57 -0.562 9.731 0.113 468 HG13 VAL 57 HG13 VAL 57 -1.955 8.750 -0.332 469 HG21 VAL 57 HG21 VAL 57 -1.350 8.542 -3.370 470 HG22 VAL 57 HG22 VAL 57 -1.840 7.197 -2.336 471 HG23 VAL 57 HG23 VAL 57 -0.348 7.094 -3.270 472 H PHE 58 H PHE 58 2.841 8.032 -0.570 473 HA PHE 58 HA PHE 58 3.050 9.937 1.544 474 HB2 PHE 58 HB2 PHE 58 4.895 7.660 0.720 475 HB3 PHE 58 HB3 PHE 58 5.179 8.646 2.146 476 HD1 PHE 58 HD2 PHE 58 2.512 8.917 3.365 477 HD2 PHE 58 HD1 PHE 58 4.306 5.505 1.500 478 HE1 PHE 58 HE2 PHE 58 1.131 7.415 4.747 479 HE2 PHE 58 HE1 PHE 58 2.919 4.021 2.887 480 HZ PHE 58 HZ PHE 58 1.337 4.975 4.513 481 H ASP 59 H ASP 59 4.787 9.545 -1.495 482 HA ASP 59 HA ASP 59 6.826 11.510 -0.947 483 HB2 ASP 59 HB2 ASP 59 5.930 10.253 -3.581 484 HB3 ASP 59 HB3 ASP 59 7.281 11.376 -3.443 485 H ALA 60 H ALA 60 3.612 11.498 -2.361 486 HA ALA 60 HA ALA 60 3.568 14.212 -3.280 487 HB1 ALA 60 HB1 ALA 60 1.125 13.897 -3.427 488 HB2 ALA 60 HB2 ALA 60 1.256 12.380 -2.528 489 HB3 ALA 60 HB3 ALA 60 1.989 12.529 -4.127 490 H GLU 61 H GLU 61 2.964 12.633 -0.181 491 HA GLU 61 HA GLU 61 2.159 15.047 1.217 492 HB2 GLU 61 HB2 GLU 61 3.072 12.309 2.238 493 HB3 GLU 61 HB3 GLU 61 2.484 13.609 3.269 494 HG2 GLU 61 HG2 GLU 61 0.868 12.244 1.106 495 HG3 GLU 61 HG3 GLU 61 0.786 11.867 2.825 496 H HIS 62 H HIS 62 5.087 13.772 0.092 497 HA HIS 62 HA HIS 62 7.289 14.034 0.421 498 HB2 HIS 62 HB2 HIS 62 6.470 16.632 1.800 499 HB3 HIS 62 HB3 HIS 62 8.132 16.198 1.417 500 HD1 HIS 62 HD1 HIS 62 8.936 17.258 -0.664 501 HD2 HIS 62 HD2 HIS 62 4.842 16.571 -0.795 502 HE1 HIS 62 HE1 HIS 62 8.160 18.229 -2.840 503 HE2 HIS 62 HE2 HIS 62 5.668 17.898 -2.843 504 H ASP 63 H ASP 63 5.557 12.721 2.494 505 HA ASP 63 HA ASP 63 7.088 12.904 4.965 506 HB2 ASP 63 HB2 ASP 63 4.588 12.572 4.964 507 HB3 ASP 63 HB3 ASP 63 4.817 11.006 4.199 508 H THR 64 H THR 64 9.105 12.122 4.618 509 HA THR 64 HA THR 64 9.740 9.980 2.873 510 HB THR 64 HB THR 64 11.368 11.759 3.344 511 HG1 THR 64 HG1 THR 64 13.052 10.411 3.181 512 HG21 THR 64 HG21 THR 64 11.602 10.553 6.125 513 HG22 THR 64 HG22 THR 64 10.913 12.130 5.739 514 HG23 THR 64 HG23 THR 64 12.627 11.832 5.457 515 H ASP 65 H ASP 65 8.996 10.104 6.304 516 HA ASP 65 HA ASP 65 10.088 7.698 7.238 517 HB2 ASP 65 HB2 ASP 65 9.253 9.410 8.777 518 HB3 ASP 65 HB3 ASP 65 7.614 9.256 8.151 519 H GLY 66 H GLY 66 6.783 8.344 6.059 520 HA2 GLY 66 HA2 GLY 66 5.839 5.667 6.250 521 HA3 GLY 66 HA3 GLY 66 5.070 6.981 5.365 522 H ALA 67 H ALA 67 7.211 7.609 3.622 523 HA ALA 67 HA ALA 67 6.883 5.723 1.530 524 HB1 ALA 67 HB1 ALA 67 7.338 8.088 1.135 525 HB2 ALA 67 HB2 ALA 67 8.545 7.079 0.331 526 HB3 ALA 67 HB3 ALA 67 8.949 7.917 1.835 527 H ARG 68 H ARG 68 9.355 6.059 4.023 528 HA ARG 68 HA ARG 68 11.243 4.178 2.966 529 HB2 ARG 68 HB2 ARG 68 10.829 5.256 5.792 530 HB3 ARG 68 HB3 ARG 68 12.106 4.113 5.389 531 HG2 ARG 68 HG2 ARG 68 13.201 5.712 3.954 532 HG3 ARG 68 HG3 ARG 68 11.853 6.841 4.083 533 HD2 ARG 68 HD2 ARG 68 12.319 7.035 6.546 534 HD3 ARG 68 HD3 ARG 68 13.747 6.020 6.315 535 HE ARG 68 HE ARG 68 14.212 7.979 4.555 536 HH11 ARG 68 HH11 ARG 68 13.223 8.194 7.940 537 HH12 ARG 68 HH12 ARG 68 14.009 9.722 8.201 538 HH21 ARG 68 HH21 ARG 68 15.239 9.974 4.908 539 HH22 ARG 68 HH22 ARG 68 15.154 10.731 6.469 540 H ARG 69 H ARG 69 8.369 3.936 5.003 541 HA ARG 69 HA ARG 69 8.674 1.227 5.849 542 HB2 ARG 69 HB2 ARG 69 6.087 2.810 5.448 543 HB3 ARG 69 HB3 ARG 69 6.238 1.304 6.350 544 HG2 ARG 69 HG2 ARG 69 7.624 2.419 8.034 545 HG3 ARG 69 HG3 ARG 69 7.580 3.918 7.102 546 HD2 ARG 69 HD2 ARG 69 5.068 3.930 7.376 547 HD3 ARG 69 HD3 ARG 69 5.232 2.544 8.464 548 HE ARG 69 HE ARG 69 6.579 5.124 9.008 549 HH11 ARG 69 HH11 ARG 69 4.410 2.574 10.100 550 HH12 ARG 69 HH12 ARG 69 4.277 3.217 11.706 551 HH21 ARG 69 HH21 ARG 69 6.382 5.964 11.089 552 HH22 ARG 69 HH22 ARG 69 5.401 5.146 12.268 553 H ALA 70 H ALA 70 6.939 2.769 3.148 554 HA ALA 70 HA ALA 70 5.904 0.411 1.954 555 HB1 ALA 70 HB1 ALA 70 5.393 1.857 0.026 556 HB2 ALA 70 HB2 ALA 70 6.416 3.133 0.701 557 HB3 ALA 70 HB3 ALA 70 4.947 2.636 1.545 558 H ALA 71 H ALA 71 8.926 2.169 1.562 559 HA ALA 71 HA ALA 71 9.906 0.686 -0.692 560 HB1 ALA 71 HB1 ALA 71 11.399 2.404 1.315 561 HB2 ALA 71 HB2 ALA 71 10.691 2.959 -0.201 562 HB3 ALA 71 HB3 ALA 71 12.036 1.819 -0.231 563 H LYS 72 H LYS 72 10.220 0.428 2.824 564 HA LYS 72 HA LYS 72 12.221 -1.562 2.990 565 HB2 LYS 72 HB2 LYS 72 11.492 -0.247 4.949 566 HB3 LYS 72 HB3 LYS 72 9.879 -0.948 4.858 567 HG2 LYS 72 HG2 LYS 72 10.893 -3.198 5.349 568 HG3 LYS 72 HG3 LYS 72 12.453 -2.402 5.572 569 HD2 LYS 72 HD2 LYS 72 9.941 -1.838 7.208 570 HD3 LYS 72 HD3 LYS 72 11.282 -2.857 7.729 571 HE2 LYS 72 HE2 LYS 72 12.795 -0.909 7.654 572 HE3 LYS 72 HE3 LYS 72 11.458 0.113 7.117 573 HZ1 LYS 72 HZ1 LYS 72 11.468 -1.371 9.692 574 HZ2 LYS 72 HZ2 LYS 72 10.350 -0.206 9.193 575 HZ3 LYS 72 HZ3 LYS 72 11.943 0.243 9.531 576 H SER 73 H SER 73 8.688 -1.742 2.946 577 HA SER 73 HA SER 73 8.482 -4.565 2.957 578 HB2 SER 73 HB2 SER 73 6.451 -2.454 2.146 579 HB3 SER 73 HB3 SER 73 6.091 -4.146 2.503 580 HG SER 73 HG SER 73 6.235 -3.736 4.563 581 H LEU 74 H LEU 74 8.718 -2.178 0.359 582 HA LEU 74 HA LEU 74 8.284 -3.883 -1.849 583 HB2 LEU 74 HB2 LEU 74 9.744 -1.273 -1.455 584 HB3 LEU 74 HB3 LEU 74 10.088 -2.159 -2.928 585 HG LEU 74 HG LEU 74 7.295 -1.319 -2.087 586 HD11 LEU 74 HD11 LEU 74 9.112 0.004 -4.112 587 HD12 LEU 74 HD12 LEU 74 8.647 0.663 -2.539 588 HD13 LEU 74 HD13 LEU 74 7.425 0.416 -3.784 589 HD21 LEU 74 HD21 LEU 74 6.690 -1.875 -4.408 590 HD22 LEU 74 HD22 LEU 74 7.299 -3.280 -3.538 591 HD23 LEU 74 HD23 LEU 74 8.334 -2.450 -4.705 592 H SER 75 H SER 75 11.199 -3.203 0.060 593 HA SER 75 HA SER 75 13.050 -4.640 -1.527 594 HB2 SER 75 HB2 SER 75 13.696 -2.940 0.178 595 HB3 SER 75 HB3 SER 75 13.166 -4.028 1.462 596 HG SER 75 HG SER 75 15.054 -4.927 -0.422 597 H GLU 76 H GLU 76 11.057 -5.535 1.252 598 HA GLU 76 HA GLU 76 11.784 -8.267 1.501 599 HB2 GLU 76 HB2 GLU 76 9.173 -6.840 2.214 600 HB3 GLU 76 HB3 GLU 76 9.641 -8.437 2.797 601 HG2 GLU 76 HG2 GLU 76 11.488 -7.494 4.069 602 HG3 GLU 76 HG3 GLU 76 11.214 -5.902 3.367 603 H ALA 77 H ALA 77 9.483 -6.556 -0.537 604 HA ALA 77 HA ALA 77 7.952 -8.795 -1.398 605 HB1 ALA 77 HB1 ALA 77 7.066 -6.494 -1.382 606 HB2 ALA 77 HB2 ALA 77 6.939 -7.225 -2.984 607 HB3 ALA 77 HB3 ALA 77 8.204 -6.037 -2.649 608 H TYR 78 H TYR 78 10.627 -6.950 -2.910 609 HA TYR 78 HA TYR 78 10.544 -8.210 -5.423 610 HB2 TYR 78 HB2 TYR 78 12.794 -6.711 -4.018 611 HB3 TYR 78 HB3 TYR 78 12.935 -7.299 -5.672 612 HD1 TYR 78 HD2 TYR 78 10.563 -6.625 -7.070 613 HD2 TYR 78 HD1 TYR 78 12.436 -4.385 -3.949 614 HE1 TYR 78 HE2 TYR 78 9.498 -4.572 -7.896 615 HE2 TYR 78 HE1 TYR 78 11.368 -2.333 -4.777 616 HH TYR 78 HH TYR 78 10.348 -1.430 -6.751 617 H GLN 79 H GLN 79 12.218 -9.068 -2.438 618 HA GLN 79 HA GLN 79 13.943 -11.067 -3.343 619 HB2 GLN 79 HB2 GLN 79 12.486 -10.723 -0.692 620 HB3 GLN 79 HB3 GLN 79 13.657 -12.016 -0.945 621 HG2 GLN 79 HG2 GLN 79 15.427 -10.406 -1.312 622 HG3 GLN 79 HG3 GLN 79 14.287 -9.068 -1.234 623 HE21 GLN 79 HE21 GLN 79 13.561 -8.377 0.795 624 HE22 GLN 79 HE22 GLN 79 14.242 -8.935 2.280 625 H LYS 80 H LYS 80 10.515 -11.216 -2.648 626 HA LYS 80 HA LYS 80 10.319 -14.106 -2.897 627 HB2 LYS 80 HB2 LYS 80 8.089 -12.026 -2.664 628 HB3 LYS 80 HB3 LYS 80 7.949 -13.763 -2.378 629 HG2 LYS 80 HG2 LYS 80 9.428 -13.598 -0.423 630 HG3 LYS 80 HG3 LYS 80 9.672 -11.875 -0.728 631 HD2 LYS 80 HD2 LYS 80 7.223 -11.500 -0.339 632 HD3 LYS 80 HD3 LYS 80 7.049 -13.217 0.044 633 HE2 LYS 80 HE2 LYS 80 8.674 -12.917 1.925 634 HE3 LYS 80 HE3 LYS 80 8.724 -11.189 1.566 635 HZ1 LYS 80 HZ1 LYS 80 7.206 -11.619 3.358 636 HZ2 LYS 80 HZ2 LYS 80 6.345 -12.740 2.439 637 HZ3 LYS 80 HZ3 LYS 80 6.322 -11.108 2.013 638 H VAL 81 H VAL 81 9.896 -11.308 -4.934 639 HA VAL 81 HA VAL 81 8.200 -12.642 -6.911 640 HB VAL 81 HB VAL 81 9.262 -9.785 -6.669 641 HG11 VAL 81 HG11 VAL 81 7.350 -10.877 -8.799 642 HG12 VAL 81 HG12 VAL 81 8.993 -10.300 -9.086 643 HG13 VAL 81 HG13 VAL 81 7.749 -9.173 -8.548 644 HG21 VAL 81 HG21 VAL 81 6.880 -9.260 -6.206 645 HG22 VAL 81 HG22 VAL 81 7.528 -10.405 -5.037 646 HG23 VAL 81 HG23 VAL 81 6.470 -10.971 -6.334 647 H GLU 82 H GLU 82 11.588 -11.730 -6.568 648 HA GLU 82 HA GLU 82 12.278 -11.975 -9.369 649 HB2 GLU 82 HB2 GLU 82 13.993 -11.796 -6.847 650 HB3 GLU 82 HB3 GLU 82 14.675 -11.871 -8.473 651 HG2 GLU 82 HG2 GLU 82 13.526 -9.793 -9.082 652 HG3 GLU 82 HG3 GLU 82 12.782 -9.711 -7.488 653 H GLY 83 H GLY 83 14.747 -13.595 -9.013 654 HA2 GLY 83 HA2 GLY 83 13.683 -16.141 -9.778 655 HA3 GLY 83 HA3 GLY 83 15.375 -15.721 -9.591 656 H SER 84 H SER 84 12.478 -16.504 -7.714 657 HA SER 84 HA SER 84 14.090 -17.728 -5.557 658 HB2 SER 84 HB2 SER 84 11.891 -17.516 -4.260 659 HB3 SER 84 HB3 SER 84 12.621 -15.977 -4.723 660 HG SER 84 HG SER 84 10.410 -17.297 -5.887 661 H GLY 85 H GLY 85 14.021 -19.917 -5.366 662 HA2 GLY 85 HA2 GLY 85 12.651 -21.521 -7.357 663 HA3 GLY 85 HA3 GLY 85 13.777 -22.078 -6.133 664 H ASP 86 H ASP 86 10.451 -20.887 -6.524 665 HA ASP 86 HA ASP 86 9.521 -22.147 -4.070 666 HB2 ASP 86 HB2 ASP 86 7.958 -20.780 -6.311 667 HB3 ASP 86 HB3 ASP 86 7.297 -21.260 -4.753 668 H LYS 87 H LYS 87 9.660 -24.367 -4.264 669 HA LYS 87 HA LYS 87 8.921 -25.816 -6.606 670 HB2 LYS 87 HB2 LYS 87 10.486 -26.778 -4.924 671 HB3 LYS 87 HB3 LYS 87 9.176 -26.870 -3.755 672 HG2 LYS 87 HG2 LYS 87 9.589 -29.068 -4.753 673 HG3 LYS 87 HG3 LYS 87 7.981 -28.485 -5.202 674 HD2 LYS 87 HD2 LYS 87 8.980 -27.696 -7.397 675 HD3 LYS 87 HD3 LYS 87 10.484 -28.504 -6.935 676 HE2 LYS 87 HE2 LYS 87 7.780 -29.827 -7.320 677 HE3 LYS 87 HE3 LYS 87 9.148 -29.915 -8.424 678 HZ1 LYS 87 HZ1 LYS 87 10.395 -31.095 -6.726 679 HZ2 LYS 87 HZ2 LYS 87 8.953 -31.894 -7.068 680 HZ3 LYS 87 HZ3 LYS 87 9.092 -30.987 -5.658 681 H GLY 88 H GLY 88 6.933 -25.347 -7.288 682 HA2 GLY 88 HA2 GLY 88 4.642 -26.596 -6.217 683 HA3 GLY 88 HA3 GLY 88 4.593 -24.868 -5.848 684 H LYS 89 H LYS 89 2.627 -25.598 -7.341 685 HA LYS 89 HA LYS 89 3.319 -25.483 -10.194 686 HB2 LYS 89 HB2 LYS 89 0.606 -25.951 -8.887 687 HB3 LYS 89 HB3 LYS 89 1.003 -26.159 -10.592 688 HG2 LYS 89 HG2 LYS 89 2.457 -28.044 -10.094 689 HG3 LYS 89 HG3 LYS 89 2.274 -27.777 -8.355 690 HD2 LYS 89 HD2 LYS 89 -0.180 -28.278 -8.584 691 HD3 LYS 89 HD3 LYS 89 0.086 -28.652 -10.290 692 HE2 LYS 89 HE2 LYS 89 1.372 -30.114 -7.955 693 HE3 LYS 89 HE3 LYS 89 -0.018 -30.683 -8.877 694 HZ1 LYS 89 HZ1 LYS 89 1.979 -31.740 -9.653 695 HZ2 LYS 89 HZ2 LYS 89 2.720 -30.248 -9.925 696 HZ3 LYS 89 HZ3 LYS 89 1.397 -30.714 -10.858 697 H ILE 90 H ILE 90 4.046 -23.239 -9.921 698 HA ILE 90 HA ILE 90 2.019 -21.155 -9.775 699 HB ILE 90 HB ILE 90 4.933 -20.929 -10.712 700 HG12 ILE 90 HG12 ILE 90 5.168 -19.601 -8.468 701 HG13 ILE 90 HG13 ILE 90 3.670 -20.383 -7.988 702 HG21 ILE 90 HG21 ILE 90 3.535 -19.171 -11.714 703 HG22 ILE 90 HG22 ILE 90 4.622 -18.469 -10.516 704 HG23 ILE 90 HG23 ILE 90 2.920 -18.718 -10.121 705 HD11 ILE 90 HD11 ILE 90 5.622 -21.505 -7.069 706 HD12 ILE 90 HD12 ILE 90 6.252 -21.782 -8.692 707 HD13 ILE 90 HD13 ILE 90 4.757 -22.570 -8.181 708 H PHE 91 H PHE 91 0.596 -21.054 -11.445 709 HA PHE 91 HA PHE 91 1.216 -21.960 -14.106 710 HB2 PHE 91 HB2 PHE 91 -1.100 -21.990 -12.964 711 HB3 PHE 91 HB3 PHE 91 -1.190 -20.267 -13.309 712 HD1 PHE 91 HD1 PHE 91 -0.345 -23.456 -15.134 713 HD2 PHE 91 HD2 PHE 91 -2.411 -19.714 -15.259 714 HE1 PHE 91 HE1 PHE 91 -1.238 -24.014 -17.357 715 HE2 PHE 91 HE2 PHE 91 -3.293 -20.279 -17.481 716 HZ PHE 91 HZ PHE 91 -2.710 -22.427 -18.538 717 H GLN 92 H GLN 92 2.696 -20.809 -15.199 718 HA GLN 92 HA GLN 92 3.213 -18.019 -14.550 719 HB2 GLN 92 HB2 GLN 92 5.317 -18.344 -15.816 720 HB3 GLN 92 HB3 GLN 92 5.093 -19.583 -14.588 721 HG2 GLN 92 HG2 GLN 92 4.453 -21.215 -16.280 722 HG3 GLN 92 HG3 GLN 92 4.487 -19.971 -17.530 723 HE21 GLN 92 HE21 GLN 92 6.026 -21.074 -18.756 724 HE22 GLN 92 HE22 GLN 92 7.674 -21.253 -18.264 725 H LYS 93 H LYS 93 0.847 -18.830 -16.311 726 HA LYS 93 HA LYS 93 1.306 -17.595 -18.870 727 HB2 LYS 93 HB2 LYS 93 -0.506 -19.300 -18.418 728 HB3 LYS 93 HB3 LYS 93 -1.337 -18.103 -17.435 729 HG2 LYS 93 HG2 LYS 93 -1.331 -16.629 -19.609 730 HG3 LYS 93 HG3 LYS 93 -0.939 -18.136 -20.438 731 HD2 LYS 93 HD2 LYS 93 -3.271 -18.090 -20.631 732 HD3 LYS 93 HD3 LYS 93 -3.070 -19.087 -19.193 733 HE2 LYS 93 HE2 LYS 93 -3.780 -16.128 -19.265 734 HE3 LYS 93 HE3 LYS 93 -4.860 -17.458 -18.855 735 HZ1 LYS 93 HZ1 LYS 93 -4.106 -16.322 -16.890 736 HZ2 LYS 93 HZ2 LYS 93 -2.489 -16.592 -17.288 737 HZ3 LYS 93 HZ3 LYS 93 -3.490 -17.898 -16.895 738 H GLU 94 H GLU 94 2.350 -15.670 -18.149 739 HA GLU 94 HA GLU 94 1.076 -13.715 -16.453 740 HB2 GLU 94 HB2 GLU 94 3.531 -13.926 -16.500 741 HB3 GLU 94 HB3 GLU 94 3.564 -13.606 -18.226 742 HG2 GLU 94 HG2 GLU 94 4.326 -11.662 -16.942 743 HG3 GLU 94 HG3 GLU 94 2.863 -11.301 -17.856 744 H GLY 95 H GLY 95 -0.022 -11.879 -17.094 745 HA2 GLY 95 HA2 GLY 95 -1.442 -11.796 -19.548 746 HA3 GLY 95 HA3 GLY 95 -1.346 -10.510 -18.346 747 H GLU 96 H GLU 96 -0.278 -11.579 -21.390 748 HA GLU 96 HA GLU 96 2.119 -10.120 -21.735 749 HB2 GLU 96 HB2 GLU 96 1.701 -10.559 -24.215 750 HB3 GLU 96 HB3 GLU 96 1.768 -11.980 -23.180 751 HG2 GLU 96 HG2 GLU 96 -0.615 -12.286 -23.274 752 HG3 GLU 96 HG3 GLU 96 -0.854 -10.716 -24.042 753 H SER 97 H SER 97 1.684 -8.060 -20.906 754 HA SER 97 HA SER 97 1.202 -5.867 -20.868 755 HB2 SER 97 HB2 SER 97 0.845 -6.192 -23.880 756 HB3 SER 97 HB3 SER 97 1.027 -4.652 -23.038 757 HG SER 97 HG SER 97 3.031 -5.112 -23.667 758 H ILE 98 H ILE 98 -0.695 -6.064 -19.589 759 HA ILE 98 HA ILE 98 -3.312 -6.415 -20.767 760 HB ILE 98 HB ILE 98 -2.727 -5.399 -17.937 761 HG12 ILE 98 HG12 ILE 98 -3.441 -7.895 -17.347 762 HG13 ILE 98 HG13 ILE 98 -2.926 -8.249 -18.990 763 HG21 ILE 98 HG21 ILE 98 -5.268 -6.603 -19.112 764 HG22 ILE 98 HG22 ILE 98 -5.017 -4.908 -18.686 765 HG23 ILE 98 HG23 ILE 98 -5.034 -6.138 -17.423 766 HD11 ILE 98 HD11 ILE 98 -0.679 -7.469 -18.456 767 HD12 ILE 98 HD12 ILE 98 -1.199 -8.733 -17.342 768 HD13 ILE 98 HD13 ILE 98 -1.202 -7.047 -16.824 769 H LEU 99 H LEU 99 -3.373 -4.808 -22.349 770 HA LEU 99 HA LEU 99 -3.033 -1.989 -21.670 771 HB2 LEU 99 HB2 LEU 99 -3.723 -3.334 -24.315 772 HB3 LEU 99 HB3 LEU 99 -3.402 -1.618 -24.112 773 HG LEU 99 HG LEU 99 -1.378 -3.855 -23.658 774 HD11 LEU 99 HD11 LEU 99 -1.891 -3.573 -26.031 775 HD12 LEU 99 HD12 LEU 99 -0.260 -3.017 -25.674 776 HD13 LEU 99 HD13 LEU 99 -1.556 -1.842 -25.926 777 HD21 LEU 99 HD21 LEU 99 -0.929 -1.998 -22.155 778 HD22 LEU 99 HD22 LEU 99 -1.011 -0.843 -23.491 779 HD23 LEU 99 HD23 LEU 99 0.285 -2.041 -23.432 780 H GLU 100 H GLU 100 -4.760 -1.497 -20.351 781 HA GLU 100 HA GLU 100 -7.509 -2.052 -21.189 782 HB2 GLU 100 HB2 GLU 100 -6.421 -0.667 -18.693 783 HB3 GLU 100 HB3 GLU 100 -8.122 -1.011 -19.000 784 HG2 GLU 100 HG2 GLU 100 -7.528 -3.469 -19.091 785 HG3 GLU 100 HG3 GLU 100 -5.895 -3.027 -18.599 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -16.280 -10.246 6.705 2 H2 GLY 1 H2 GLY 1 -15.154 -10.000 7.942 3 H3 GLY 1 H3 GLY 1 -16.019 -11.449 7.865 4 HA2 GLY 1 HA2 GLY 1 -14.956 -11.998 5.765 5 HA3 GLY 1 HA3 GLY 1 -14.044 -10.498 5.874 6 H GLY 2 H GLY 2 -12.560 -12.631 5.561 7 HA2 GLY 2 HA2 GLY 2 -11.033 -12.827 8.020 8 HA3 GLY 2 HA3 GLY 2 -11.741 -14.348 7.474 9 H SER 3 H SER 3 -11.565 -14.178 4.781 10 HA SER 3 HA SER 3 -8.916 -14.890 4.178 11 HB2 SER 3 HB2 SER 3 -11.151 -14.067 2.261 12 HB3 SER 3 HB3 SER 3 -9.693 -14.959 1.818 13 HG SER 3 HG SER 3 -11.706 -15.839 3.629 14 HA PRO 4 HA PRO 4 -6.742 -10.993 3.838 15 HB2 PRO 4 HB2 PRO 4 -5.424 -12.236 1.414 16 HB3 PRO 4 HB3 PRO 4 -4.684 -11.420 2.812 17 HG2 PRO 4 HG2 PRO 4 -4.640 -14.055 2.676 18 HG3 PRO 4 HG3 PRO 4 -4.988 -13.254 4.228 19 HD2 PRO 4 HD2 PRO 4 -6.893 -14.615 2.334 20 HD3 PRO 4 HD3 PRO 4 -6.886 -14.603 4.113 21 H ASP 5 H ASP 5 -8.284 -12.239 0.877 22 HA ASP 5 HA ASP 5 -8.075 -9.801 -0.625 23 HB2 ASP 5 HB2 ASP 5 -9.525 -10.852 -2.279 24 HB3 ASP 5 HB3 ASP 5 -8.344 -12.025 -1.720 25 H GLU 6 H GLU 6 -10.505 -11.136 1.549 26 HA GLU 6 HA GLU 6 -12.580 -9.213 1.099 27 HB2 GLU 6 HB2 GLU 6 -11.996 -10.869 3.592 28 HB3 GLU 6 HB3 GLU 6 -13.505 -10.027 3.253 29 HG2 GLU 6 HG2 GLU 6 -13.856 -11.496 1.273 30 HG3 GLU 6 HG3 GLU 6 -12.367 -12.352 1.673 31 H ASN 7 H ASN 7 -9.816 -9.430 3.268 32 HA ASN 7 HA ASN 7 -10.251 -7.083 4.790 33 HB2 ASN 7 HB2 ASN 7 -7.597 -8.461 4.162 34 HB3 ASN 7 HB3 ASN 7 -7.892 -7.345 5.491 35 HD21 ASN 7 HD21 ASN 7 -6.985 -10.150 5.483 36 HD22 ASN 7 HD22 ASN 7 -8.082 -11.017 6.499 37 H ILE 8 H ILE 8 -8.379 -7.720 1.832 38 HA ILE 8 HA ILE 8 -7.349 -5.210 1.203 39 HB ILE 8 HB ILE 8 -8.310 -7.508 -0.561 40 HG12 ILE 8 HG12 ILE 8 -5.476 -6.491 -0.051 41 HG13 ILE 8 HG13 ILE 8 -6.232 -7.791 0.860 42 HG21 ILE 8 HG21 ILE 8 -6.988 -4.968 -1.570 43 HG22 ILE 8 HG22 ILE 8 -8.615 -5.535 -1.950 44 HG23 ILE 8 HG23 ILE 8 -7.212 -6.436 -2.523 45 HD11 ILE 8 HD11 ILE 8 -5.628 -7.823 -2.087 46 HD12 ILE 8 HD12 ILE 8 -6.401 -9.122 -1.177 47 HD13 ILE 8 HD13 ILE 8 -4.737 -8.663 -0.817 48 H ALA 9 H ALA 9 -10.524 -6.610 0.376 49 HA ALA 9 HA ALA 9 -11.536 -4.466 -1.148 50 HB1 ALA 9 HB1 ALA 9 -12.489 -6.735 -1.219 51 HB2 ALA 9 HB2 ALA 9 -13.735 -5.538 -0.858 52 HB3 ALA 9 HB3 ALA 9 -13.080 -6.553 0.433 53 H LYS 10 H LYS 10 -11.536 -5.089 2.299 54 HA LYS 10 HA LYS 10 -13.384 -3.090 3.146 55 HB2 LYS 10 HB2 LYS 10 -12.707 -5.113 4.465 56 HB3 LYS 10 HB3 LYS 10 -11.102 -4.421 4.684 57 HG2 LYS 10 HG2 LYS 10 -12.105 -2.532 5.919 58 HG3 LYS 10 HG3 LYS 10 -13.702 -3.253 5.701 59 HD2 LYS 10 HD2 LYS 10 -12.928 -5.267 6.977 60 HD3 LYS 10 HD3 LYS 10 -11.379 -4.461 7.254 61 HE2 LYS 10 HE2 LYS 10 -14.093 -3.511 8.218 62 HE3 LYS 10 HE3 LYS 10 -12.816 -4.221 9.207 63 HZ1 LYS 10 HZ1 LYS 10 -12.750 -1.875 9.455 64 HZ2 LYS 10 HZ2 LYS 10 -12.738 -1.623 7.788 65 HZ3 LYS 10 HZ3 LYS 10 -11.399 -2.319 8.542 66 H PHE 11 H PHE 11 -9.814 -3.195 3.034 67 HA PHE 11 HA PHE 11 -9.339 -0.487 3.789 68 HB2 PHE 11 HB2 PHE 11 -7.530 -2.394 2.242 69 HB3 PHE 11 HB3 PHE 11 -7.014 -0.875 2.964 70 HD1 PHE 11 HD2 PHE 11 -8.176 -0.885 5.636 71 HD2 PHE 11 HD1 PHE 11 -6.482 -4.144 3.435 72 HE1 PHE 11 HE2 PHE 11 -7.645 -2.047 7.739 73 HE2 PHE 11 HE1 PHE 11 -5.963 -5.295 5.556 74 HZ PHE 11 HZ PHE 11 -6.549 -4.246 7.705 75 H GLU 12 H GLU 12 -10.211 -1.958 0.793 76 HA GLU 12 HA GLU 12 -9.164 0.008 -1.015 77 HB2 GLU 12 HB2 GLU 12 -9.719 -2.504 -1.439 78 HB3 GLU 12 HB3 GLU 12 -11.382 -1.989 -1.644 79 HG2 GLU 12 HG2 GLU 12 -9.050 -0.990 -3.309 80 HG3 GLU 12 HG3 GLU 12 -10.110 -2.311 -3.779 81 H LYS 13 H LYS 13 -12.350 -0.568 0.508 82 HA LYS 13 HA LYS 13 -13.659 1.645 -0.768 83 HB2 LYS 13 HB2 LYS 13 -14.976 -0.190 0.284 84 HB3 LYS 13 HB3 LYS 13 -14.386 0.290 1.875 85 HG2 LYS 13 HG2 LYS 13 -15.481 2.498 1.613 86 HG3 LYS 13 HG3 LYS 13 -16.074 2.014 0.026 87 HD2 LYS 13 HD2 LYS 13 -17.479 0.274 1.058 88 HD3 LYS 13 HD3 LYS 13 -16.834 0.678 2.654 89 HE2 LYS 13 HE2 LYS 13 -17.791 2.949 2.467 90 HE3 LYS 13 HE3 LYS 13 -18.431 2.550 0.873 91 HZ1 LYS 13 HZ1 LYS 13 -19.184 1.178 3.393 92 HZ2 LYS 13 HZ2 LYS 13 -19.837 0.890 1.863 93 HZ3 LYS 13 HZ3 LYS 13 -20.094 2.372 2.622 94 H ALA 14 H ALA 14 -11.910 1.196 2.282 95 HA ALA 14 HA ALA 14 -12.168 3.797 3.355 96 HB1 ALA 14 HB1 ALA 14 -10.210 3.235 4.742 97 HB2 ALA 14 HB2 ALA 14 -9.874 1.835 3.718 98 HB3 ALA 14 HB3 ALA 14 -11.352 1.893 4.677 99 H TYR 15 H TYR 15 -10.048 2.474 0.906 100 HA TYR 15 HA TYR 15 -8.217 4.612 0.578 101 HB2 TYR 15 HB2 TYR 15 -7.726 2.429 -0.358 102 HB3 TYR 15 HB3 TYR 15 -9.199 2.437 -1.316 103 HD1 TYR 15 HD2 TYR 15 -6.147 4.595 -0.872 104 HD2 TYR 15 HD1 TYR 15 -8.903 2.834 -3.636 105 HE1 TYR 15 HE2 TYR 15 -4.886 5.533 -2.716 106 HE2 TYR 15 HE1 TYR 15 -7.611 3.803 -5.509 107 HH TYR 15 HH TYR 15 -6.036 5.647 -5.909 108 H LYS 16 H LYS 16 -11.291 3.814 -1.027 109 HA LYS 16 HA LYS 16 -11.362 6.003 -2.825 110 HB2 LYS 16 HB2 LYS 16 -13.564 4.222 -1.715 111 HB3 LYS 16 HB3 LYS 16 -13.863 5.447 -2.946 112 HG2 LYS 16 HG2 LYS 16 -12.327 4.303 -4.489 113 HG3 LYS 16 HG3 LYS 16 -11.972 3.087 -3.256 114 HD2 LYS 16 HD2 LYS 16 -14.265 2.302 -3.285 115 HD3 LYS 16 HD3 LYS 16 -14.751 3.606 -4.369 116 HE2 LYS 16 HE2 LYS 16 -13.389 2.651 -6.162 117 HE3 LYS 16 HE3 LYS 16 -12.812 1.383 -5.071 118 HZ1 LYS 16 HZ1 LYS 16 -15.636 1.794 -5.927 119 HZ2 LYS 16 HZ2 LYS 16 -15.102 0.597 -4.858 120 HZ3 LYS 16 HZ3 LYS 16 -14.598 0.575 -6.468 121 H LYS 17 H LYS 17 -12.648 5.581 0.468 122 HA LYS 17 HA LYS 17 -14.038 8.062 0.646 123 HB2 LYS 17 HB2 LYS 17 -14.493 6.153 2.165 124 HB3 LYS 17 HB3 LYS 17 -12.897 6.328 2.896 125 HG2 LYS 17 HG2 LYS 17 -13.494 8.503 3.796 126 HG3 LYS 17 HG3 LYS 17 -15.023 8.496 2.916 127 HD2 LYS 17 HD2 LYS 17 -15.766 6.546 4.288 128 HD3 LYS 17 HD3 LYS 17 -14.259 6.645 5.206 129 HE2 LYS 17 HE2 LYS 17 -16.115 7.755 6.391 130 HE3 LYS 17 HE3 LYS 17 -14.856 8.914 5.966 131 HZ1 LYS 17 HZ1 LYS 17 -17.068 9.789 5.517 132 HZ2 LYS 17 HZ2 LYS 17 -17.401 8.499 4.474 133 HZ3 LYS 17 HZ3 LYS 17 -16.200 9.617 4.076 134 H ALA 18 H ALA 18 -10.802 7.030 1.568 135 HA ALA 18 HA ALA 18 -9.670 9.356 2.621 136 HB1 ALA 18 HB1 ALA 18 -7.521 8.332 1.925 137 HB2 ALA 18 HB2 ALA 18 -8.411 7.180 0.922 138 HB3 ALA 18 HB3 ALA 18 -8.606 7.157 2.674 139 H GLU 19 H GLU 19 -10.110 8.282 -0.710 140 HA GLU 19 HA GLU 19 -8.533 10.259 -2.042 141 HB2 GLU 19 HB2 GLU 19 -9.161 7.900 -2.826 142 HB3 GLU 19 HB3 GLU 19 -10.756 8.514 -3.211 143 HG2 GLU 19 HG2 GLU 19 -8.239 9.647 -4.463 144 HG3 GLU 19 HG3 GLU 19 -9.064 8.244 -5.129 145 H GLU 20 H GLU 20 -11.956 9.955 -1.179 146 HA GLU 20 HA GLU 20 -12.956 12.276 -2.479 147 HB2 GLU 20 HB2 GLU 20 -13.992 10.860 0.016 148 HB3 GLU 20 HB3 GLU 20 -14.882 12.076 -0.890 149 HG2 GLU 20 HG2 GLU 20 -14.912 10.594 -2.864 150 HG3 GLU 20 HG3 GLU 20 -14.023 9.377 -1.957 151 H LEU 21 H LEU 21 -11.545 11.698 0.679 152 HA LEU 21 HA LEU 21 -11.889 14.373 1.698 153 HB2 LEU 21 HB2 LEU 21 -10.163 12.055 2.654 154 HB3 LEU 21 HB3 LEU 21 -10.410 13.544 3.552 155 HG LEU 21 HG LEU 21 -12.612 11.564 2.851 156 HD11 LEU 21 HD11 LEU 21 -12.599 10.939 5.237 157 HD12 LEU 21 HD12 LEU 21 -11.195 11.975 5.510 158 HD13 LEU 21 HD13 LEU 21 -11.063 10.566 4.456 159 HD21 LEU 21 HD21 LEU 21 -13.462 13.839 3.039 160 HD22 LEU 21 HD22 LEU 21 -12.688 14.030 4.615 161 HD23 LEU 21 HD23 LEU 21 -13.999 12.866 4.408 162 H ASN 22 H ASN 22 -9.698 12.947 -0.471 163 HA ASN 22 HA ASN 22 -7.813 13.580 -1.543 164 HB2 ASN 22 HB2 ASN 22 -9.163 15.726 -1.842 165 HB3 ASN 22 HB3 ASN 22 -8.326 16.390 -0.442 166 HD21 ASN 22 HD21 ASN 22 -7.330 18.055 -1.599 167 HD22 ASN 22 HD22 ASN 22 -6.088 17.786 -2.769 168 H GLN 23 H GLN 23 -7.636 12.543 1.105 169 HA GLN 23 HA GLN 23 -5.147 13.751 2.167 170 HB2 GLN 23 HB2 GLN 23 -7.114 11.859 3.519 171 HB3 GLN 23 HB3 GLN 23 -5.605 12.420 4.233 172 HG2 GLN 23 HG2 GLN 23 -6.451 14.771 4.069 173 HG3 GLN 23 HG3 GLN 23 -7.992 14.131 3.492 174 HE21 GLN 23 HE21 GLN 23 -9.331 13.004 4.966 175 HE22 GLN 23 HE22 GLN 23 -9.127 13.136 6.671 176 H GLY 24 H GLY 24 -3.596 12.911 0.948 177 HA2 GLY 24 HA2 GLY 24 -3.570 10.288 -0.156 178 HA3 GLY 24 HA3 GLY 24 -2.229 11.422 -0.120 179 H GLU 25 H GLU 25 -2.384 11.639 2.843 180 HA GLU 25 HA GLU 25 -0.644 9.624 3.702 181 HB2 GLU 25 HB2 GLU 25 -1.257 10.365 6.042 182 HB3 GLU 25 HB3 GLU 25 -0.839 11.691 4.960 183 HG2 GLU 25 HG2 GLU 25 -3.238 12.197 4.628 184 HG3 GLU 25 HG3 GLU 25 -3.664 10.866 5.701 185 H LEU 26 H LEU 26 -4.165 9.820 3.834 186 HA LEU 26 HA LEU 26 -4.646 7.337 5.181 187 HB2 LEU 26 HB2 LEU 26 -6.380 9.213 3.534 188 HB3 LEU 26 HB3 LEU 26 -7.021 7.727 4.204 189 HG LEU 26 HG LEU 26 -5.899 10.013 5.881 190 HD11 LEU 26 HD11 LEU 26 -8.241 10.515 6.453 191 HD12 LEU 26 HD12 LEU 26 -8.803 9.242 5.367 192 HD13 LEU 26 HD13 LEU 26 -7.989 10.664 4.714 193 HD21 LEU 26 HD21 LEU 26 -6.901 8.800 7.758 194 HD22 LEU 26 HD22 LEU 26 -5.691 7.811 6.943 195 HD23 LEU 26 HD23 LEU 26 -7.414 7.510 6.669 196 H MET 27 H MET 27 -4.722 8.401 1.761 197 HA MET 27 HA MET 27 -5.666 6.028 0.580 198 HB2 MET 27 HB2 MET 27 -3.932 8.223 -0.630 199 HB3 MET 27 HB3 MET 27 -4.671 6.930 -1.565 200 HG2 MET 27 HG2 MET 27 -6.911 7.791 -0.603 201 HG3 MET 27 HG3 MET 27 -6.002 9.242 -0.181 202 HE1 MET 27 HE1 MET 27 -3.887 9.046 -2.788 203 HE2 MET 27 HE2 MET 27 -4.505 10.562 -2.121 204 HE3 MET 27 HE3 MET 27 -4.679 10.220 -3.841 205 H GLY 28 H GLY 28 -2.406 7.113 1.295 206 HA2 GLY 28 HA2 GLY 28 -0.956 5.093 -0.081 207 HA3 GLY 28 HA3 GLY 28 -0.342 6.138 1.196 208 H ARG 29 H ARG 29 -1.940 5.505 3.323 209 HA ARG 29 HA ARG 29 -0.816 3.096 4.328 210 HB2 ARG 29 HB2 ARG 29 -3.020 4.919 5.371 211 HB3 ARG 29 HB3 ARG 29 -2.447 3.520 6.280 212 HG2 ARG 29 HG2 ARG 29 -0.243 4.467 6.516 213 HG3 ARG 29 HG3 ARG 29 -0.603 5.748 5.362 214 HD2 ARG 29 HD2 ARG 29 -2.283 6.666 6.977 215 HD3 ARG 29 HD3 ARG 29 -1.775 5.443 8.148 216 HE ARG 29 HE ARG 29 0.569 6.542 7.673 217 HH11 ARG 29 HH11 ARG 29 -2.494 8.232 8.085 218 HH12 ARG 29 HH12 ARG 29 -1.753 9.668 8.715 219 HH21 ARG 29 HH21 ARG 29 1.527 8.431 8.499 220 HH22 ARG 29 HH22 ARG 29 0.530 9.778 8.950 221 H ALA 30 H ALA 30 -3.869 3.834 2.768 222 HA ALA 30 HA ALA 30 -5.303 1.463 3.360 223 HB1 ALA 30 HB1 ALA 30 -5.524 3.286 0.927 224 HB2 ALA 30 HB2 ALA 30 -6.368 3.499 2.464 225 HB3 ALA 30 HB3 ALA 30 -6.734 2.101 1.455 226 H LEU 31 H LEU 31 -3.355 2.382 0.510 227 HA LEU 31 HA LEU 31 -3.539 -0.115 -0.861 228 HB2 LEU 31 HB2 LEU 31 -1.575 2.184 -1.166 229 HB3 LEU 31 HB3 LEU 31 -1.713 0.845 -2.298 230 HG LEU 31 HG LEU 31 -3.951 2.824 -1.708 231 HD11 LEU 31 HD11 LEU 31 -2.075 2.740 -4.085 232 HD12 LEU 31 HD12 LEU 31 -2.060 3.945 -2.799 233 HD13 LEU 31 HD13 LEU 31 -3.446 3.833 -3.881 234 HD21 LEU 31 HD21 LEU 31 -3.727 0.690 -3.857 235 HD22 LEU 31 HD22 LEU 31 -5.042 1.858 -3.689 236 HD23 LEU 31 HD23 LEU 31 -4.786 0.639 -2.443 237 H TYR 32 H TYR 32 -1.314 1.224 1.463 238 HA TYR 32 HA TYR 32 0.835 -0.589 1.207 239 HB2 TYR 32 HB2 TYR 32 1.088 1.535 2.425 240 HB3 TYR 32 HB3 TYR 32 -0.112 1.041 3.616 241 HD1 TYR 32 HD2 TYR 32 3.175 -0.068 2.189 242 HD2 TYR 32 HD1 TYR 32 0.676 0.103 5.645 243 HE1 TYR 32 HE2 TYR 32 4.965 -1.068 3.534 244 HE2 TYR 32 HE1 TYR 32 2.467 -0.900 6.992 245 HH TYR 32 HH TYR 32 5.683 -1.327 5.778 246 H ASN 33 H ASN 33 -2.024 -0.562 3.351 247 HA ASN 33 HA ASN 33 -1.560 -3.007 4.694 248 HB2 ASN 33 HB2 ASN 33 -4.173 -1.522 4.170 249 HB3 ASN 33 HB3 ASN 33 -4.041 -2.914 5.240 250 HD21 ASN 33 HD21 ASN 33 -4.870 -0.179 5.845 251 HD22 ASN 33 HD22 ASN 33 -3.805 0.385 7.084 252 H ILE 34 H ILE 34 -3.388 -2.255 1.746 253 HA ILE 34 HA ILE 34 -4.410 -4.800 1.110 254 HB ILE 34 HB ILE 34 -3.586 -2.464 -0.679 255 HG12 ILE 34 HG12 ILE 34 -6.365 -3.394 0.197 256 HG13 ILE 34 HG13 ILE 34 -5.496 -2.023 0.874 257 HG21 ILE 34 HG21 ILE 34 -5.074 -4.968 -1.516 258 HG22 ILE 34 HG22 ILE 34 -3.483 -4.447 -2.071 259 HG23 ILE 34 HG23 ILE 34 -4.916 -3.515 -2.501 260 HD11 ILE 34 HD11 ILE 34 -7.210 -1.319 -0.695 261 HD12 ILE 34 HD12 ILE 34 -6.441 -2.250 -1.984 262 HD13 ILE 34 HD13 ILE 34 -5.603 -0.872 -1.266 263 H GLY 35 H GLY 35 -1.316 -3.245 0.331 264 HA2 GLY 35 HA2 GLY 35 -0.233 -5.225 -1.371 265 HA3 GLY 35 HA3 GLY 35 0.675 -3.986 -0.514 266 H LEU 36 H LEU 36 -0.052 -4.744 2.138 267 HA LEU 36 HA LEU 36 1.832 -6.777 2.746 268 HB2 LEU 36 HB2 LEU 36 -0.395 -5.580 4.441 269 HB3 LEU 36 HB3 LEU 36 0.838 -6.655 5.077 270 HG LEU 36 HG LEU 36 1.345 -3.893 3.895 271 HD11 LEU 36 HD11 LEU 36 1.887 -3.206 6.187 272 HD12 LEU 36 HD12 LEU 36 1.437 -4.803 6.789 273 HD13 LEU 36 HD13 LEU 36 0.219 -3.755 6.058 274 HD21 LEU 36 HD21 LEU 36 3.246 -5.384 3.475 275 HD22 LEU 36 HD22 LEU 36 3.321 -5.801 5.188 276 HD23 LEU 36 HD23 LEU 36 3.661 -4.151 4.664 277 H GLU 37 H GLU 37 -1.706 -6.794 2.414 278 HA GLU 37 HA GLU 37 -2.150 -9.474 3.226 279 HB2 GLU 37 HB2 GLU 37 -3.835 -7.718 1.401 280 HB3 GLU 37 HB3 GLU 37 -4.364 -9.247 2.086 281 HG2 GLU 37 HG2 GLU 37 -3.675 -6.746 3.648 282 HG3 GLU 37 HG3 GLU 37 -5.297 -7.345 3.315 283 H LYS 38 H LYS 38 -1.734 -7.996 0.008 284 HA LYS 38 HA LYS 38 -1.973 -10.235 -1.630 285 HB2 LYS 38 HB2 LYS 38 -0.346 -7.687 -1.928 286 HB3 LYS 38 HB3 LYS 38 -0.414 -8.887 -3.208 287 HG2 LYS 38 HG2 LYS 38 -2.873 -7.512 -2.090 288 HG3 LYS 38 HG3 LYS 38 -1.955 -6.911 -3.472 289 HD2 LYS 38 HD2 LYS 38 -2.397 -9.061 -4.667 290 HD3 LYS 38 HD3 LYS 38 -3.382 -9.593 -3.302 291 HE2 LYS 38 HE2 LYS 38 -4.959 -7.751 -3.692 292 HE3 LYS 38 HE3 LYS 38 -3.946 -7.138 -5.001 293 HZ1 LYS 38 HZ1 LYS 38 -5.273 -9.797 -4.984 294 HZ2 LYS 38 HZ2 LYS 38 -4.369 -9.146 -6.253 295 HZ3 LYS 38 HZ3 LYS 38 -5.837 -8.434 -5.809 296 H ASN 39 H ASN 39 0.884 -8.994 0.084 297 HA ASN 39 HA ASN 39 2.894 -10.552 -1.136 298 HB2 ASN 39 HB2 ASN 39 3.165 -8.453 0.344 299 HB3 ASN 39 HB3 ASN 39 2.980 -9.506 1.735 300 HD21 ASN 39 HD21 ASN 39 5.234 -7.828 0.983 301 HD22 ASN 39 HD22 ASN 39 6.603 -8.872 0.867 302 H LYS 40 H LYS 40 0.868 -11.157 1.718 303 HA LYS 40 HA LYS 40 2.052 -13.591 2.617 304 HB2 LYS 40 HB2 LYS 40 -0.861 -12.767 2.935 305 HB3 LYS 40 HB3 LYS 40 0.016 -13.922 3.934 306 HG2 LYS 40 HG2 LYS 40 1.400 -12.109 4.843 307 HG3 LYS 40 HG3 LYS 40 0.582 -10.943 3.804 308 HD2 LYS 40 HD2 LYS 40 -0.625 -12.519 6.108 309 HD3 LYS 40 HD3 LYS 40 -0.405 -10.773 6.012 310 HE2 LYS 40 HE2 LYS 40 -2.056 -10.693 4.154 311 HE3 LYS 40 HE3 LYS 40 -2.292 -12.433 4.304 312 HZ1 LYS 40 HZ1 LYS 40 -2.868 -10.430 6.419 313 HZ2 LYS 40 HZ2 LYS 40 -3.141 -12.094 6.537 314 HZ3 LYS 40 HZ3 LYS 40 -4.026 -11.165 5.437 315 H MET 41 H MET 41 -0.469 -12.836 0.275 316 HA MET 41 HA MET 41 -1.508 -15.501 -0.057 317 HB2 MET 41 HB2 MET 41 -1.810 -13.015 -1.799 318 HB3 MET 41 HB3 MET 41 -2.788 -14.472 -1.940 319 HG2 MET 41 HG2 MET 41 -3.843 -14.072 0.170 320 HG3 MET 41 HG3 MET 41 -2.686 -12.808 0.577 321 HE1 MET 41 HE1 MET 41 -5.990 -12.356 -2.619 322 HE2 MET 41 HE2 MET 41 -5.735 -13.811 -1.661 323 HE3 MET 41 HE3 MET 41 -4.570 -13.360 -2.905 324 H GLY 42 H GLY 42 1.364 -14.096 -1.096 325 HA2 GLY 42 HA2 GLY 42 3.012 -14.959 -2.497 326 HA3 GLY 42 HA3 GLY 42 1.843 -16.077 -3.191 327 H LYS 43 H LYS 43 0.369 -13.151 -3.142 328 HA LYS 43 HA LYS 43 0.853 -12.574 -5.959 329 HB2 LYS 43 HB2 LYS 43 -1.137 -11.523 -3.907 330 HB3 LYS 43 HB3 LYS 43 -1.052 -10.917 -5.563 331 HG2 LYS 43 HG2 LYS 43 -1.555 -13.158 -6.430 332 HG3 LYS 43 HG3 LYS 43 -1.614 -13.797 -4.784 333 HD2 LYS 43 HD2 LYS 43 -3.644 -12.715 -4.297 334 HD3 LYS 43 HD3 LYS 43 -3.440 -11.519 -5.580 335 HE2 LYS 43 HE2 LYS 43 -4.026 -14.471 -6.010 336 HE3 LYS 43 HE3 LYS 43 -5.200 -13.159 -6.120 337 HZ1 LYS 43 HZ1 LYS 43 -3.876 -12.197 -7.923 338 HZ2 LYS 43 HZ2 LYS 43 -4.414 -13.756 -8.304 339 HZ3 LYS 43 HZ3 LYS 43 -2.809 -13.506 -7.841 340 H VAL 44 H VAL 44 3.081 -12.149 -4.958 341 HA VAL 44 HA VAL 44 3.544 -9.721 -3.529 342 HB VAL 44 HB VAL 44 5.480 -11.663 -4.869 343 HG11 VAL 44 HG11 VAL 44 6.050 -9.501 -2.820 344 HG12 VAL 44 HG12 VAL 44 6.547 -9.493 -4.514 345 HG13 VAL 44 HG13 VAL 44 7.204 -10.700 -3.410 346 HG21 VAL 44 HG21 VAL 44 5.789 -12.619 -2.613 347 HG22 VAL 44 HG22 VAL 44 4.106 -12.741 -3.118 348 HG23 VAL 44 HG23 VAL 44 4.588 -11.502 -1.958 349 H LYS 45 H LYS 45 3.487 -10.668 -6.889 350 HA LYS 45 HA LYS 45 4.874 -8.529 -8.091 351 HB2 LYS 45 HB2 LYS 45 2.499 -10.129 -9.167 352 HB3 LYS 45 HB3 LYS 45 3.384 -8.945 -10.121 353 HG2 LYS 45 HG2 LYS 45 4.236 -11.051 -10.772 354 HG3 LYS 45 HG3 LYS 45 5.472 -10.336 -9.737 355 HD2 LYS 45 HD2 LYS 45 4.786 -11.769 -7.872 356 HD3 LYS 45 HD3 LYS 45 3.439 -12.401 -8.819 357 HE2 LYS 45 HE2 LYS 45 5.101 -13.335 -10.452 358 HE3 LYS 45 HE3 LYS 45 6.393 -12.819 -9.364 359 HZ1 LYS 45 HZ1 LYS 45 4.218 -14.723 -8.640 360 HZ2 LYS 45 HZ2 LYS 45 5.521 -14.271 -7.664 361 HZ3 LYS 45 HZ3 LYS 45 5.794 -15.163 -9.066 362 H GLU 46 H GLU 46 1.468 -8.891 -7.156 363 HA GLU 46 HA GLU 46 0.615 -6.256 -7.893 364 HB2 GLU 46 HB2 GLU 46 -0.666 -8.274 -5.987 365 HB3 GLU 46 HB3 GLU 46 -1.438 -6.803 -6.579 366 HG2 GLU 46 HG2 GLU 46 -1.259 -7.681 -8.907 367 HG3 GLU 46 HG3 GLU 46 -0.575 -9.171 -8.260 368 H ALA 47 H ALA 47 1.741 -7.782 -4.892 369 HA ALA 47 HA ALA 47 1.174 -5.825 -3.002 370 HB1 ALA 47 HB1 ALA 47 2.002 -8.074 -2.419 371 HB2 ALA 47 HB2 ALA 47 2.963 -6.820 -1.630 372 HB3 ALA 47 HB3 ALA 47 3.596 -7.664 -3.048 373 H ILE 48 H ILE 48 4.104 -6.227 -4.971 374 HA ILE 48 HA ILE 48 5.658 -4.024 -4.289 375 HB ILE 48 HB ILE 48 5.269 -5.446 -6.975 376 HG12 ILE 48 HG12 ILE 48 7.583 -5.622 -4.987 377 HG13 ILE 48 HG13 ILE 48 6.251 -6.769 -5.052 378 HG21 ILE 48 HG21 ILE 48 6.135 -3.198 -7.478 379 HG22 ILE 48 HG22 ILE 48 7.369 -4.422 -7.781 380 HG23 ILE 48 HG23 ILE 48 7.450 -3.433 -6.323 381 HD11 ILE 48 HD11 ILE 48 8.253 -6.258 -7.242 382 HD12 ILE 48 HD12 ILE 48 6.910 -7.404 -7.313 383 HD13 ILE 48 HD13 ILE 48 8.211 -7.642 -6.147 384 H GLU 49 H GLU 49 3.118 -4.260 -6.791 385 HA GLU 49 HA GLU 49 3.316 -1.622 -7.781 386 HB2 GLU 49 HB2 GLU 49 0.963 -3.555 -7.931 387 HB3 GLU 49 HB3 GLU 49 1.141 -2.094 -8.901 388 HG2 GLU 49 HG2 GLU 49 3.145 -2.996 -9.973 389 HG3 GLU 49 HG3 GLU 49 3.069 -4.431 -8.949 390 H TYR 50 H TYR 50 1.380 -2.978 -5.153 391 HA TYR 50 HA TYR 50 -0.218 -0.622 -4.707 392 HB2 TYR 50 HB2 TYR 50 0.284 -3.119 -3.047 393 HB3 TYR 50 HB3 TYR 50 -0.687 -1.784 -2.446 394 HD1 TYR 50 HD2 TYR 50 -2.665 -0.992 -4.067 395 HD2 TYR 50 HD1 TYR 50 -0.819 -4.850 -4.213 396 HE1 TYR 50 HE2 TYR 50 -4.643 -1.907 -5.204 397 HE2 TYR 50 HE1 TYR 50 -2.789 -5.746 -5.368 398 HH TYR 50 HH TYR 50 -5.174 -3.798 -6.726 399 H PHE 51 H PHE 51 2.806 -1.884 -3.350 400 HA PHE 51 HA PHE 51 3.140 0.184 -1.383 401 HB2 PHE 51 HB2 PHE 51 5.262 -1.594 -2.647 402 HB3 PHE 51 HB3 PHE 51 5.509 -0.575 -1.239 403 HD1 PHE 51 HD1 PHE 51 2.908 -1.262 0.253 404 HD2 PHE 51 HD2 PHE 51 5.818 -3.686 -1.744 405 HE1 PHE 51 HE1 PHE 51 2.359 -3.160 1.736 406 HE2 PHE 51 HE2 PHE 51 5.248 -5.579 -0.269 407 HZ PHE 51 HZ PHE 51 3.522 -5.315 1.465 408 H LEU 52 H LEU 52 3.858 -0.132 -4.780 409 HA LEU 52 HA LEU 52 5.712 2.065 -5.005 410 HB2 LEU 52 HB2 LEU 52 4.041 0.587 -7.083 411 HB3 LEU 52 HB3 LEU 52 5.087 1.931 -7.510 412 HG LEU 52 HG LEU 52 6.043 -0.683 -6.272 413 HD11 LEU 52 HD11 LEU 52 6.977 -1.203 -8.480 414 HD12 LEU 52 HD12 LEU 52 6.272 0.271 -9.145 415 HD13 LEU 52 HD13 LEU 52 5.226 -1.023 -8.558 416 HD21 LEU 52 HD21 LEU 52 7.659 1.643 -7.364 417 HD22 LEU 52 HD22 LEU 52 8.309 0.108 -6.785 418 HD23 LEU 52 HD23 LEU 52 7.496 1.195 -5.663 419 H ARG 53 H ARG 53 2.231 1.632 -5.633 420 HA ARG 53 HA ARG 53 1.530 4.279 -6.269 421 HB2 ARG 53 HB2 ARG 53 -0.096 2.131 -4.844 422 HB3 ARG 53 HB3 ARG 53 -0.768 3.656 -5.397 423 HG2 ARG 53 HG2 ARG 53 -0.286 3.035 -7.728 424 HG3 ARG 53 HG3 ARG 53 0.404 1.507 -7.179 425 HD2 ARG 53 HD2 ARG 53 -1.836 0.954 -6.137 426 HD3 ARG 53 HD3 ARG 53 -2.486 2.413 -6.896 427 HE ARG 53 HE ARG 53 -1.230 0.671 -8.792 428 HH11 ARG 53 HH11 ARG 53 -4.225 1.141 -6.987 429 HH12 ARG 53 HH12 ARG 53 -5.199 0.279 -8.134 430 HH21 ARG 53 HH21 ARG 53 -2.528 -0.462 -10.290 431 HH22 ARG 53 HH22 ARG 53 -4.229 -0.633 -10.009 432 H ALA 54 H ALA 54 1.554 2.550 -3.153 433 HA ALA 54 HA ALA 54 0.545 4.554 -1.494 434 HB1 ALA 54 HB1 ALA 54 0.729 2.195 -0.813 435 HB2 ALA 54 HB2 ALA 54 1.499 3.252 0.370 436 HB3 ALA 54 HB3 ALA 54 2.487 2.326 -0.767 437 H LYS 55 H LYS 55 3.923 3.672 -2.209 438 HA LYS 55 HA LYS 55 5.191 5.566 -0.525 439 HB2 LYS 55 HB2 LYS 55 6.254 3.479 -1.392 440 HB3 LYS 55 HB3 LYS 55 6.279 4.161 -3.015 441 HG2 LYS 55 HG2 LYS 55 7.795 5.953 -2.203 442 HG3 LYS 55 HG3 LYS 55 7.796 5.208 -0.602 443 HD2 LYS 55 HD2 LYS 55 8.842 3.178 -1.513 444 HD3 LYS 55 HD3 LYS 55 8.743 3.834 -3.148 445 HE2 LYS 55 HE2 LYS 55 10.391 5.010 -0.891 446 HE3 LYS 55 HE3 LYS 55 11.012 4.028 -2.215 447 HZ1 LYS 55 HZ1 LYS 55 11.361 6.362 -2.628 448 HZ2 LYS 55 HZ2 LYS 55 9.707 6.673 -2.484 449 HZ3 LYS 55 HZ3 LYS 55 10.277 5.730 -3.763 450 H LYS 56 H LYS 56 4.199 5.656 -3.922 451 HA LYS 56 HA LYS 56 5.369 8.123 -4.708 452 HB2 LYS 56 HB2 LYS 56 4.484 6.470 -6.337 453 HB3 LYS 56 HB3 LYS 56 2.849 6.747 -5.753 454 HG2 LYS 56 HG2 LYS 56 3.078 9.159 -6.545 455 HG3 LYS 56 HG3 LYS 56 4.613 8.691 -7.281 456 HD2 LYS 56 HD2 LYS 56 2.868 8.650 -8.979 457 HD3 LYS 56 HD3 LYS 56 3.418 7.003 -8.666 458 HE2 LYS 56 HE2 LYS 56 0.995 7.037 -8.885 459 HE3 LYS 56 HE3 LYS 56 1.418 6.639 -7.220 460 HZ1 LYS 56 HZ1 LYS 56 0.536 9.300 -8.223 461 HZ2 LYS 56 HZ2 LYS 56 0.968 8.969 -6.626 462 HZ3 LYS 56 HZ3 LYS 56 -0.395 8.232 -7.302 463 H VAL 57 H VAL 57 2.260 7.298 -3.269 464 HA VAL 57 HA VAL 57 1.098 9.913 -3.423 465 HB VAL 57 HB VAL 57 0.291 7.420 -1.843 466 HG11 VAL 57 HG11 VAL 57 -1.909 8.484 -1.547 467 HG12 VAL 57 HG12 VAL 57 -1.304 9.959 -2.303 468 HG13 VAL 57 HG13 VAL 57 -0.635 9.420 -0.762 469 HG21 VAL 57 HG21 VAL 57 -0.860 8.580 -4.418 470 HG22 VAL 57 HG22 VAL 57 -1.412 7.117 -3.598 471 HG23 VAL 57 HG23 VAL 57 0.194 7.169 -4.320 472 H PHE 58 H PHE 58 2.775 8.047 -0.892 473 HA PHE 58 HA PHE 58 2.648 9.961 1.207 474 HB2 PHE 58 HB2 PHE 58 4.586 7.680 0.648 475 HB3 PHE 58 HB3 PHE 58 4.757 8.710 2.062 476 HD1 PHE 58 HD2 PHE 58 2.269 9.025 3.304 477 HD2 PHE 58 HD1 PHE 58 3.674 5.603 1.161 478 HE1 PHE 58 HE2 PHE 58 0.794 7.569 4.637 479 HE2 PHE 58 HE1 PHE 58 2.204 4.159 2.497 480 HZ PHE 58 HZ PHE 58 0.774 5.142 4.233 481 H ASP 59 H ASP 59 4.823 9.500 -1.490 482 HA ASP 59 HA ASP 59 6.909 11.283 -0.783 483 HB2 ASP 59 HB2 ASP 59 7.080 9.546 -2.587 484 HB3 ASP 59 HB3 ASP 59 5.973 10.475 -3.590 485 H ALA 60 H ALA 60 3.864 11.678 -2.507 486 HA ALA 60 HA ALA 60 4.169 14.443 -3.160 487 HB1 ALA 60 HB1 ALA 60 1.644 12.774 -2.960 488 HB2 ALA 60 HB2 ALA 60 2.642 12.979 -4.397 489 HB3 ALA 60 HB3 ALA 60 1.780 14.364 -3.725 490 H GLU 61 H GLU 61 2.696 12.697 -0.411 491 HA GLU 61 HA GLU 61 1.678 15.014 0.966 492 HB2 GLU 61 HB2 GLU 61 2.304 12.200 1.972 493 HB3 GLU 61 HB3 GLU 61 1.413 13.411 2.883 494 HG2 GLU 61 HG2 GLU 61 0.520 12.257 0.237 495 HG3 GLU 61 HG3 GLU 61 -0.015 11.690 1.812 496 H HIS 62 H HIS 62 4.801 13.745 0.531 497 HA HIS 62 HA HIS 62 6.833 13.916 1.471 498 HB2 HIS 62 HB2 HIS 62 5.724 16.432 2.803 499 HB3 HIS 62 HB3 HIS 62 7.431 16.006 2.686 500 HD1 HIS 62 HD1 HIS 62 5.738 18.497 1.380 501 HD2 HIS 62 HD2 HIS 62 7.414 15.231 -0.558 502 HE1 HIS 62 HE1 HIS 62 6.037 19.212 -1.006 503 HE2 HIS 62 HE2 HIS 62 7.250 17.300 -2.088 504 H ASP 63 H ASP 63 4.709 12.401 2.774 505 HA ASP 63 HA ASP 63 5.344 12.318 5.601 506 HB2 ASP 63 HB2 ASP 63 3.059 11.790 4.664 507 HB3 ASP 63 HB3 ASP 63 3.723 10.353 3.901 508 H THR 64 H THR 64 7.514 11.929 5.702 509 HA THR 64 HA THR 64 9.022 10.196 4.076 510 HB THR 64 HB THR 64 10.073 12.070 5.270 511 HG1 THR 64 HG1 THR 64 11.093 9.656 5.037 512 HG21 THR 64 HG21 THR 64 9.644 10.459 7.808 513 HG22 THR 64 HG22 THR 64 8.792 11.946 7.387 514 HG23 THR 64 HG23 THR 64 10.532 11.979 7.686 515 H ASP 65 H ASP 65 7.245 9.592 7.012 516 HA ASP 65 HA ASP 65 8.493 7.153 7.788 517 HB2 ASP 65 HB2 ASP 65 7.154 8.443 9.393 518 HB3 ASP 65 HB3 ASP 65 5.705 8.254 8.406 519 H GLY 66 H GLY 66 5.627 7.907 5.835 520 HA2 GLY 66 HA2 GLY 66 4.886 5.161 5.408 521 HA3 GLY 66 HA3 GLY 66 4.241 6.572 4.578 522 H ALA 67 H ALA 67 6.733 7.591 3.623 523 HA ALA 67 HA ALA 67 7.046 6.213 1.179 524 HB1 ALA 67 HB1 ALA 67 8.899 8.229 2.485 525 HB2 ALA 67 HB2 ALA 67 7.529 8.603 1.442 526 HB3 ALA 67 HB3 ALA 67 8.928 7.758 0.777 527 H ARG 68 H ARG 68 9.041 6.247 4.137 528 HA ARG 68 HA ARG 68 11.018 4.400 3.178 529 HB2 ARG 68 HB2 ARG 68 12.019 4.534 5.336 530 HB3 ARG 68 HB3 ARG 68 11.319 6.124 5.070 531 HG2 ARG 68 HG2 ARG 68 9.406 5.525 6.497 532 HG3 ARG 68 HG3 ARG 68 10.115 3.943 6.793 533 HD2 ARG 68 HD2 ARG 68 12.039 5.024 7.912 534 HD3 ARG 68 HD3 ARG 68 11.328 6.610 7.590 535 HE ARG 68 HE ARG 68 9.595 6.150 9.140 536 HH11 ARG 68 HH11 ARG 68 11.984 3.575 9.100 537 HH12 ARG 68 HH12 ARG 68 11.493 2.941 10.634 538 HH21 ARG 68 HH21 ARG 68 8.941 5.317 11.107 539 HH22 ARG 68 HH22 ARG 68 9.748 3.937 11.783 540 H ARG 69 H ARG 69 7.955 4.091 4.774 541 HA ARG 69 HA ARG 69 8.205 1.506 5.948 542 HB2 ARG 69 HB2 ARG 69 6.517 3.487 6.382 543 HB3 ARG 69 HB3 ARG 69 5.566 2.770 5.098 544 HG2 ARG 69 HG2 ARG 69 5.338 0.714 6.416 545 HG3 ARG 69 HG3 ARG 69 6.376 1.391 7.676 546 HD2 ARG 69 HD2 ARG 69 4.665 3.287 7.887 547 HD3 ARG 69 HD3 ARG 69 3.606 2.321 6.854 548 HE ARG 69 HE ARG 69 3.782 0.549 8.603 549 HH11 ARG 69 HH11 ARG 69 4.270 3.939 9.492 550 HH12 ARG 69 HH12 ARG 69 3.793 3.690 11.139 551 HH21 ARG 69 HH21 ARG 69 3.197 0.243 10.760 552 HH22 ARG 69 HH22 ARG 69 3.181 1.584 11.861 553 H ALA 70 H ALA 70 6.664 2.721 3.011 554 HA ALA 70 HA ALA 70 5.854 0.188 1.955 555 HB1 ALA 70 HB1 ALA 70 4.661 2.274 1.406 556 HB2 ALA 70 HB2 ALA 70 5.236 1.467 -0.052 557 HB3 ALA 70 HB3 ALA 70 6.087 2.887 0.565 558 H ALA 71 H ALA 71 8.708 2.269 1.596 559 HA ALA 71 HA ALA 71 9.946 0.959 -0.606 560 HB1 ALA 71 HB1 ALA 71 10.603 3.203 0.200 561 HB2 ALA 71 HB2 ALA 71 11.987 2.118 0.071 562 HB3 ALA 71 HB3 ALA 71 11.286 2.483 1.654 563 H LYS 72 H LYS 72 10.088 0.432 2.884 564 HA LYS 72 HA LYS 72 12.204 -1.518 2.857 565 HB2 LYS 72 HB2 LYS 72 11.611 -0.074 4.846 566 HB3 LYS 72 HB3 LYS 72 10.115 -0.988 5.014 567 HG2 LYS 72 HG2 LYS 72 11.616 -3.083 5.235 568 HG3 LYS 72 HG3 LYS 72 12.957 -1.953 5.437 569 HD2 LYS 72 HD2 LYS 72 12.150 -2.655 7.633 570 HD3 LYS 72 HD3 LYS 72 11.764 -0.947 7.401 571 HE2 LYS 72 HE2 LYS 72 9.444 -1.527 6.832 572 HE3 LYS 72 HE3 LYS 72 9.823 -3.248 6.974 573 HZ1 LYS 72 HZ1 LYS 72 9.889 -1.239 9.163 574 HZ2 LYS 72 HZ2 LYS 72 10.378 -2.850 9.315 575 HZ3 LYS 72 HZ3 LYS 72 8.767 -2.490 8.965 576 H SER 73 H SER 73 8.653 -1.614 3.068 577 HA SER 73 HA SER 73 8.340 -4.430 3.155 578 HB2 SER 73 HB2 SER 73 6.395 -2.284 2.226 579 HB3 SER 73 HB3 SER 73 5.965 -3.963 2.576 580 HG SER 73 HG SER 73 5.666 -3.178 4.522 581 H LEU 74 H LEU 74 8.712 -2.148 0.509 582 HA LEU 74 HA LEU 74 8.235 -3.853 -1.686 583 HB2 LEU 74 HB2 LEU 74 9.844 -1.327 -1.285 584 HB3 LEU 74 HB3 LEU 74 10.176 -2.263 -2.733 585 HG LEU 74 HG LEU 74 7.393 -1.296 -2.003 586 HD11 LEU 74 HD11 LEU 74 8.821 0.651 -2.336 587 HD12 LEU 74 HD12 LEU 74 7.639 0.476 -3.633 588 HD13 LEU 74 HD13 LEU 74 9.327 0.026 -3.910 589 HD21 LEU 74 HD21 LEU 74 7.416 -3.216 -3.495 590 HD22 LEU 74 HD22 LEU 74 8.524 -2.390 -4.592 591 HD23 LEU 74 HD23 LEU 74 6.884 -1.775 -4.359 592 H SER 75 H SER 75 11.264 -3.126 0.072 593 HA SER 75 HA SER 75 13.007 -4.837 -1.277 594 HB2 SER 75 HB2 SER 75 13.093 -4.091 1.683 595 HB3 SER 75 HB3 SER 75 14.457 -4.620 0.703 596 HG SER 75 HG SER 75 13.939 -2.738 -0.659 597 H GLU 76 H GLU 76 11.002 -5.419 1.578 598 HA GLU 76 HA GLU 76 11.627 -8.089 2.125 599 HB2 GLU 76 HB2 GLU 76 10.012 -6.034 3.224 600 HB3 GLU 76 HB3 GLU 76 8.857 -7.291 2.846 601 HG2 GLU 76 HG2 GLU 76 11.326 -7.636 4.556 602 HG3 GLU 76 HG3 GLU 76 9.698 -7.374 5.163 603 H ALA 77 H ALA 77 9.323 -6.642 -0.116 604 HA ALA 77 HA ALA 77 7.864 -9.028 -0.741 605 HB1 ALA 77 HB1 ALA 77 6.867 -6.794 -1.008 606 HB2 ALA 77 HB2 ALA 77 6.867 -7.665 -2.544 607 HB3 ALA 77 HB3 ALA 77 8.054 -6.392 -2.248 608 H TYR 78 H TYR 78 10.514 -7.195 -2.327 609 HA TYR 78 HA TYR 78 10.668 -8.634 -4.728 610 HB2 TYR 78 HB2 TYR 78 12.653 -6.872 -3.246 611 HB3 TYR 78 HB3 TYR 78 13.161 -7.719 -4.704 612 HD1 TYR 78 HD2 TYR 78 11.631 -7.360 -6.837 613 HD2 TYR 78 HD1 TYR 78 11.650 -4.713 -3.488 614 HE1 TYR 78 HE2 TYR 78 10.688 -5.574 -8.230 615 HE2 TYR 78 HE1 TYR 78 10.700 -2.929 -4.887 616 HH TYR 78 HH TYR 78 9.435 -3.530 -8.008 617 H GLN 79 H GLN 79 11.897 -9.428 -1.568 618 HA GLN 79 HA GLN 79 13.859 -11.339 -2.056 619 HB2 GLN 79 HB2 GLN 79 11.718 -11.449 0.112 620 HB3 GLN 79 HB3 GLN 79 13.255 -12.300 0.149 621 HG2 GLN 79 HG2 GLN 79 12.986 -9.288 0.136 622 HG3 GLN 79 HG3 GLN 79 13.135 -10.253 1.593 623 HE21 GLN 79 HE21 GLN 79 15.025 -9.136 2.192 624 HE22 GLN 79 HE22 GLN 79 16.545 -9.394 1.415 625 H LYS 80 H LYS 80 10.337 -11.727 -1.985 626 HA LYS 80 HA LYS 80 10.281 -14.573 -2.385 627 HB2 LYS 80 HB2 LYS 80 8.116 -12.433 -2.587 628 HB3 LYS 80 HB3 LYS 80 7.790 -14.136 -2.880 629 HG2 LYS 80 HG2 LYS 80 7.083 -13.589 -0.638 630 HG3 LYS 80 HG3 LYS 80 8.491 -14.644 -0.530 631 HD2 LYS 80 HD2 LYS 80 9.921 -12.693 -0.042 632 HD3 LYS 80 HD3 LYS 80 8.530 -11.620 -0.194 633 HE2 LYS 80 HE2 LYS 80 7.479 -12.634 1.764 634 HE3 LYS 80 HE3 LYS 80 8.772 -13.837 1.872 635 HZ1 LYS 80 HZ1 LYS 80 9.190 -10.906 2.139 636 HZ2 LYS 80 HZ2 LYS 80 10.338 -12.120 2.385 637 HZ3 LYS 80 HZ3 LYS 80 9.029 -11.971 3.440 638 H VAL 81 H VAL 81 10.227 -11.756 -4.452 639 HA VAL 81 HA VAL 81 9.399 -12.999 -6.888 640 HB VAL 81 HB VAL 81 10.940 -10.391 -6.468 641 HG11 VAL 81 HG11 VAL 81 9.346 -11.315 -8.888 642 HG12 VAL 81 HG12 VAL 81 11.098 -11.127 -8.800 643 HG13 VAL 81 HG13 VAL 81 10.055 -9.711 -8.677 644 HG21 VAL 81 HG21 VAL 81 7.942 -10.844 -6.694 645 HG22 VAL 81 HG22 VAL 81 8.747 -9.277 -6.584 646 HG23 VAL 81 HG23 VAL 81 8.823 -10.401 -5.227 647 H GLU 82 H GLU 82 12.500 -12.565 -5.272 648 HA GLU 82 HA GLU 82 14.298 -13.286 -7.331 649 HB2 GLU 82 HB2 GLU 82 14.588 -13.961 -4.365 650 HB3 GLU 82 HB3 GLU 82 15.891 -13.877 -5.541 651 HG2 GLU 82 HG2 GLU 82 14.229 -11.559 -4.551 652 HG3 GLU 82 HG3 GLU 82 15.875 -11.923 -4.075 653 H GLY 83 H GLY 83 12.028 -15.168 -5.566 654 HA2 GLY 83 HA2 GLY 83 11.429 -17.414 -6.134 655 HA3 GLY 83 HA3 GLY 83 13.104 -17.743 -6.564 656 H SER 84 H SER 84 13.191 -15.866 -3.853 657 HA SER 84 HA SER 84 13.629 -18.130 -2.065 658 HB2 SER 84 HB2 SER 84 15.362 -16.344 -2.208 659 HB3 SER 84 HB3 SER 84 14.183 -15.152 -1.664 660 HG SER 84 HG SER 84 14.530 -17.400 -0.057 661 H GLY 85 H GLY 85 11.458 -18.735 -1.895 662 HA2 GLY 85 HA2 GLY 85 9.568 -16.975 -0.450 663 HA3 GLY 85 HA3 GLY 85 9.188 -18.494 -1.253 664 H ASP 86 H ASP 86 8.588 -19.980 0.206 665 HA ASP 86 HA ASP 86 8.738 -21.601 1.775 666 HB2 ASP 86 HB2 ASP 86 11.549 -20.593 2.361 667 HB3 ASP 86 HB3 ASP 86 10.875 -22.126 2.907 668 H LYS 87 H LYS 87 9.206 -18.342 2.714 669 HA LYS 87 HA LYS 87 8.956 -18.855 5.594 670 HB2 LYS 87 HB2 LYS 87 9.446 -16.231 4.085 671 HB3 LYS 87 HB3 LYS 87 9.501 -16.455 5.829 672 HG2 LYS 87 HG2 LYS 87 11.449 -17.968 5.576 673 HG3 LYS 87 HG3 LYS 87 11.398 -17.712 3.829 674 HD2 LYS 87 HD2 LYS 87 13.127 -16.284 4.776 675 HD3 LYS 87 HD3 LYS 87 11.804 -15.263 4.213 676 HE2 LYS 87 HE2 LYS 87 10.959 -15.144 6.570 677 HE3 LYS 87 HE3 LYS 87 12.368 -16.071 7.087 678 HZ1 LYS 87 HZ1 LYS 87 12.484 -13.432 5.724 679 HZ2 LYS 87 HZ2 LYS 87 13.799 -14.307 6.328 680 HZ3 LYS 87 HZ3 LYS 87 12.650 -13.674 7.390 681 H GLY 88 H GLY 88 6.766 -19.640 5.348 682 HA2 GLY 88 HA2 GLY 88 4.592 -17.951 4.495 683 HA3 GLY 88 HA3 GLY 88 4.472 -19.439 5.433 684 H LYS 89 H LYS 89 5.011 -15.972 5.613 685 HA LYS 89 HA LYS 89 5.062 -16.011 8.542 686 HB2 LYS 89 HB2 LYS 89 6.785 -14.672 7.374 687 HB3 LYS 89 HB3 LYS 89 5.533 -13.718 6.598 688 HG2 LYS 89 HG2 LYS 89 6.181 -12.291 8.304 689 HG3 LYS 89 HG3 LYS 89 4.814 -13.100 9.049 690 HD2 LYS 89 HD2 LYS 89 7.718 -13.877 9.538 691 HD3 LYS 89 HD3 LYS 89 6.830 -12.740 10.539 692 HE2 LYS 89 HE2 LYS 89 6.573 -14.660 11.801 693 HE3 LYS 89 HE3 LYS 89 5.138 -14.791 10.785 694 HZ1 LYS 89 HZ1 LYS 89 6.245 -16.889 10.842 695 HZ2 LYS 89 HZ2 LYS 89 7.727 -16.206 10.413 696 HZ3 LYS 89 HZ3 LYS 89 6.468 -16.249 9.294 697 H ILE 90 H ILE 90 2.944 -16.572 8.909 698 HA ILE 90 HA ILE 90 0.836 -16.234 9.591 699 HB ILE 90 HB ILE 90 1.823 -13.386 9.967 700 HG12 ILE 90 HG12 ILE 90 3.303 -15.031 11.076 701 HG13 ILE 90 HG13 ILE 90 2.433 -14.079 12.268 702 HG21 ILE 90 HG21 ILE 90 -0.498 -14.798 11.331 703 HG22 ILE 90 HG22 ILE 90 -0.608 -13.454 10.192 704 HG23 ILE 90 HG23 ILE 90 0.129 -13.207 11.774 705 HD11 ILE 90 HD11 ILE 90 1.772 -16.903 11.438 706 HD12 ILE 90 HD12 ILE 90 0.912 -15.958 12.658 707 HD13 ILE 90 HD13 ILE 90 2.597 -16.412 12.915 708 H PHE 91 H PHE 91 -0.121 -16.718 7.609 709 HA PHE 91 HA PHE 91 -0.961 -14.857 5.645 710 HB2 PHE 91 HB2 PHE 91 -2.271 -17.493 6.402 711 HB3 PHE 91 HB3 PHE 91 -2.480 -16.623 4.882 712 HD1 PHE 91 HD2 PHE 91 -0.347 -16.227 3.451 713 HD2 PHE 91 HD1 PHE 91 -0.561 -19.139 6.575 714 HE1 PHE 91 HE2 PHE 91 1.581 -17.409 2.496 715 HE2 PHE 91 HE1 PHE 91 1.375 -20.311 5.609 716 HZ PHE 91 HZ PHE 91 2.447 -19.450 3.567 717 H GLN 92 H GLN 92 -2.279 -15.825 8.723 718 HA GLN 92 HA GLN 92 -4.572 -14.001 8.397 719 HB2 GLN 92 HB2 GLN 92 -5.494 -15.470 10.409 720 HB3 GLN 92 HB3 GLN 92 -5.674 -15.998 8.747 721 HG2 GLN 92 HG2 GLN 92 -5.055 -17.890 10.089 722 HG3 GLN 92 HG3 GLN 92 -3.700 -17.485 9.042 723 HE21 GLN 92 HE21 GLN 92 -4.860 -17.404 12.355 724 HE22 GLN 92 HE22 GLN 92 -3.308 -17.222 13.088 725 H LYS 93 H LYS 93 -3.146 -12.234 8.947 726 HA LYS 93 HA LYS 93 -2.175 -11.993 11.669 727 HB2 LYS 93 HB2 LYS 93 -2.052 -9.421 10.908 728 HB3 LYS 93 HB3 LYS 93 -0.848 -10.592 10.405 729 HG2 LYS 93 HG2 LYS 93 -1.859 -10.814 8.222 730 HG3 LYS 93 HG3 LYS 93 -3.226 -9.806 8.692 731 HD2 LYS 93 HD2 LYS 93 -0.363 -8.786 8.670 732 HD3 LYS 93 HD3 LYS 93 -1.415 -8.686 7.258 733 HE2 LYS 93 HE2 LYS 93 -1.989 -7.418 9.961 734 HE3 LYS 93 HE3 LYS 93 -1.365 -6.576 8.544 735 HZ1 LYS 93 HZ1 LYS 93 -4.014 -7.908 8.745 736 HZ2 LYS 93 HZ2 LYS 93 -3.387 -7.184 7.351 737 HZ3 LYS 93 HZ3 LYS 93 -3.719 -6.240 8.711 738 H GLU 94 H GLU 94 -4.063 -12.674 12.656 739 HA GLU 94 HA GLU 94 -6.407 -10.897 12.709 740 HB2 GLU 94 HB2 GLU 94 -7.488 -12.912 13.885 741 HB3 GLU 94 HB3 GLU 94 -7.058 -13.139 12.196 742 HG2 GLU 94 HG2 GLU 94 -5.002 -14.361 12.894 743 HG3 GLU 94 HG3 GLU 94 -5.483 -14.171 14.577 744 H GLY 95 H GLY 95 -5.509 -9.304 13.949 745 HA2 GLY 95 HA2 GLY 95 -5.430 -9.764 16.843 746 HA3 GLY 95 HA3 GLY 95 -3.979 -9.094 16.094 747 H GLU 96 H GLU 96 -7.250 -8.509 17.072 748 HA GLU 96 HA GLU 96 -7.550 -5.950 15.781 749 HB2 GLU 96 HB2 GLU 96 -9.488 -7.441 16.281 750 HB3 GLU 96 HB3 GLU 96 -9.226 -7.195 18.004 751 HG2 GLU 96 HG2 GLU 96 -9.661 -4.767 17.699 752 HG3 GLU 96 HG3 GLU 96 -9.972 -5.049 15.987 753 H SER 97 H SER 97 -5.589 -5.019 16.550 754 HA SER 97 HA SER 97 -5.886 -3.612 19.144 755 HB2 SER 97 HB2 SER 97 -3.389 -3.188 18.853 756 HB3 SER 97 HB3 SER 97 -3.803 -4.894 19.054 757 HG SER 97 HG SER 97 -3.017 -3.511 16.717 758 H ILE 98 H ILE 98 -6.278 -3.401 15.811 759 HA ILE 98 HA ILE 98 -5.424 -0.688 15.327 760 HB ILE 98 HB ILE 98 -7.058 -2.637 13.632 761 HG12 ILE 98 HG12 ILE 98 -4.937 -2.535 12.136 762 HG13 ILE 98 HG13 ILE 98 -4.128 -1.794 13.506 763 HG21 ILE 98 HG21 ILE 98 -7.733 -0.340 13.054 764 HG22 ILE 98 HG22 ILE 98 -6.816 -1.069 11.738 765 HG23 ILE 98 HG23 ILE 98 -6.042 0.110 12.797 766 HD11 ILE 98 HD11 ILE 98 -4.521 -3.839 14.823 767 HD12 ILE 98 HD12 ILE 98 -3.626 -4.168 13.338 768 HD13 ILE 98 HD13 ILE 98 -5.341 -4.562 13.437 769 H LEU 99 H LEU 99 -6.625 1.057 15.826 770 HA LEU 99 HA LEU 99 -9.578 0.950 15.862 771 HB2 LEU 99 HB2 LEU 99 -9.714 2.304 17.852 772 HB3 LEU 99 HB3 LEU 99 -8.739 0.900 18.234 773 HG LEU 99 HG LEU 99 -7.510 3.624 17.607 774 HD11 LEU 99 HD11 LEU 99 -7.269 3.991 20.025 775 HD12 LEU 99 HD12 LEU 99 -8.175 2.513 20.353 776 HD13 LEU 99 HD13 LEU 99 -8.967 3.876 19.563 777 HD21 LEU 99 HD21 LEU 99 -5.950 1.728 17.373 778 HD22 LEU 99 HD22 LEU 99 -6.324 1.202 19.017 779 HD23 LEU 99 HD23 LEU 99 -5.515 2.747 18.748 780 H GLU 100 H GLU 100 -10.495 3.229 15.624 781 HA GLU 100 HA GLU 100 -8.808 5.367 14.739 782 HB2 GLU 100 HB2 GLU 100 -9.066 3.570 12.745 783 HB3 GLU 100 HB3 GLU 100 -10.588 4.395 12.493 784 HG2 GLU 100 HG2 GLU 100 -7.863 5.713 12.472 785 HG3 GLU 100 HG3 GLU 100 -8.754 5.214 11.041 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -12.376 -13.673 11.328 2 H2 GLY 1 H2 GLY 1 -12.651 -15.239 10.761 3 H3 GLY 1 H3 GLY 1 -13.740 -14.004 10.395 4 HA2 GLY 1 HA2 GLY 1 -12.101 -12.863 9.074 5 HA3 GLY 1 HA3 GLY 1 -10.920 -14.098 9.488 6 H GLY 2 H GLY 2 -10.929 -13.925 7.008 7 HA2 GLY 2 HA2 GLY 2 -11.955 -16.359 5.948 8 HA3 GLY 2 HA3 GLY 2 -12.904 -14.985 5.366 9 H SER 3 H SER 3 -12.243 -15.010 3.257 10 HA SER 3 HA SER 3 -9.662 -15.348 2.250 11 HB2 SER 3 HB2 SER 3 -11.917 -13.676 1.035 12 HB3 SER 3 HB3 SER 3 -10.555 -14.393 0.160 13 HG SER 3 HG SER 3 -11.360 -16.442 0.712 14 HA PRO 4 HA PRO 4 -7.587 -11.475 3.426 15 HB2 PRO 4 HB2 PRO 4 -5.988 -11.864 0.892 16 HB3 PRO 4 HB3 PRO 4 -5.427 -11.676 2.571 17 HG2 PRO 4 HG2 PRO 4 -5.340 -14.079 1.425 18 HG3 PRO 4 HG3 PRO 4 -5.830 -13.902 3.125 19 HD2 PRO 4 HD2 PRO 4 -7.589 -14.329 0.702 20 HD3 PRO 4 HD3 PRO 4 -7.663 -15.098 2.309 21 H ASP 5 H ASP 5 -8.803 -12.056 0.209 22 HA ASP 5 HA ASP 5 -8.863 -9.500 -0.914 23 HB2 ASP 5 HB2 ASP 5 -10.920 -11.722 -1.304 24 HB3 ASP 5 HB3 ASP 5 -10.635 -10.362 -2.391 25 H GLU 6 H GLU 6 -11.166 -11.078 1.282 26 HA GLU 6 HA GLU 6 -13.235 -9.168 1.237 27 HB2 GLU 6 HB2 GLU 6 -12.374 -10.976 3.546 28 HB3 GLU 6 HB3 GLU 6 -13.924 -10.142 3.427 29 HG2 GLU 6 HG2 GLU 6 -12.918 -12.299 1.544 30 HG3 GLU 6 HG3 GLU 6 -14.104 -12.528 2.825 31 H ASN 7 H ASN 7 -10.322 -9.425 3.242 32 HA ASN 7 HA ASN 7 -10.820 -7.152 4.907 33 HB2 ASN 7 HB2 ASN 7 -8.138 -8.435 4.222 34 HB3 ASN 7 HB3 ASN 7 -8.489 -7.427 5.627 35 HD21 ASN 7 HD21 ASN 7 -7.476 -10.167 5.440 36 HD22 ASN 7 HD22 ASN 7 -8.557 -11.137 6.378 37 H ILE 8 H ILE 8 -8.972 -7.685 1.935 38 HA ILE 8 HA ILE 8 -7.918 -5.135 1.480 39 HB ILE 8 HB ILE 8 -8.719 -7.388 -0.412 40 HG12 ILE 8 HG12 ILE 8 -5.970 -6.362 0.441 41 HG13 ILE 8 HG13 ILE 8 -6.780 -7.758 1.141 42 HG21 ILE 8 HG21 ILE 8 -7.490 -6.256 -2.247 43 HG22 ILE 8 HG22 ILE 8 -7.300 -4.830 -1.226 44 HG23 ILE 8 HG23 ILE 8 -8.909 -5.336 -1.741 45 HD11 ILE 8 HD11 ILE 8 -5.807 -7.495 -1.704 46 HD12 ILE 8 HD12 ILE 8 -6.681 -8.884 -1.050 47 HD13 ILE 8 HD13 ILE 8 -5.088 -8.464 -0.417 48 H ALA 9 H ALA 9 -11.146 -6.457 0.811 49 HA ALA 9 HA ALA 9 -12.200 -4.375 -0.772 50 HB1 ALA 9 HB1 ALA 9 -14.400 -5.295 -0.193 51 HB2 ALA 9 HB2 ALA 9 -13.685 -6.238 1.118 52 HB3 ALA 9 HB3 ALA 9 -13.261 -6.593 -0.559 53 H LYS 10 H LYS 10 -11.947 -4.751 2.738 54 HA LYS 10 HA LYS 10 -13.466 -2.433 3.447 55 HB2 LYS 10 HB2 LYS 10 -11.511 -4.204 4.939 56 HB3 LYS 10 HB3 LYS 10 -12.058 -2.702 5.666 57 HG2 LYS 10 HG2 LYS 10 -13.389 -4.496 6.535 58 HG3 LYS 10 HG3 LYS 10 -14.409 -3.491 5.503 59 HD2 LYS 10 HD2 LYS 10 -14.202 -5.158 3.686 60 HD3 LYS 10 HD3 LYS 10 -13.153 -6.144 4.707 61 HE2 LYS 10 HE2 LYS 10 -15.065 -6.369 6.329 62 HE3 LYS 10 HE3 LYS 10 -16.087 -5.528 5.157 63 HZ1 LYS 10 HZ1 LYS 10 -15.713 -7.270 3.575 64 HZ2 LYS 10 HZ2 LYS 10 -16.241 -7.968 5.024 65 HZ3 LYS 10 HZ3 LYS 10 -14.609 -8.038 4.595 66 H PHE 11 H PHE 11 -10.063 -3.056 2.714 67 HA PHE 11 HA PHE 11 -9.103 -0.441 3.417 68 HB2 PHE 11 HB2 PHE 11 -7.806 -2.536 1.620 69 HB3 PHE 11 HB3 PHE 11 -7.003 -1.117 2.291 70 HD1 PHE 11 HD2 PHE 11 -8.102 -1.203 5.117 71 HD2 PHE 11 HD1 PHE 11 -6.549 -4.293 2.582 72 HE1 PHE 11 HE2 PHE 11 -7.448 -2.508 7.092 73 HE2 PHE 11 HE1 PHE 11 -5.899 -5.576 4.565 74 HZ PHE 11 HZ PHE 11 -6.342 -4.692 6.815 75 H GLU 12 H GLU 12 -10.468 -1.874 0.531 76 HA GLU 12 HA GLU 12 -9.768 0.241 -1.289 77 HB2 GLU 12 HB2 GLU 12 -11.871 -1.972 -1.481 78 HB3 GLU 12 HB3 GLU 12 -11.500 -0.840 -2.783 79 HG2 GLU 12 HG2 GLU 12 -9.194 -1.683 -2.891 80 HG3 GLU 12 HG3 GLU 12 -9.524 -2.807 -1.576 81 H LYS 13 H LYS 13 -12.597 -0.555 0.739 82 HA LYS 13 HA LYS 13 -14.175 1.695 -0.050 83 HB2 LYS 13 HB2 LYS 13 -15.011 -0.445 1.046 84 HB3 LYS 13 HB3 LYS 13 -14.337 0.130 2.560 85 HG2 LYS 13 HG2 LYS 13 -16.396 1.779 1.066 86 HG3 LYS 13 HG3 LYS 13 -16.899 0.428 2.071 87 HD2 LYS 13 HD2 LYS 13 -15.223 2.729 3.152 88 HD3 LYS 13 HD3 LYS 13 -16.985 2.774 3.125 89 HE2 LYS 13 HE2 LYS 13 -16.244 2.091 5.325 90 HE3 LYS 13 HE3 LYS 13 -17.017 0.713 4.547 91 HZ1 LYS 13 HZ1 LYS 13 -14.958 0.178 5.752 92 HZ2 LYS 13 HZ2 LYS 13 -14.071 1.123 4.675 93 HZ3 LYS 13 HZ3 LYS 13 -14.888 -0.257 4.126 94 H ALA 14 H ALA 14 -11.768 1.104 2.483 95 HA ALA 14 HA ALA 14 -11.935 3.625 3.790 96 HB1 ALA 14 HB1 ALA 14 -10.856 1.674 4.830 97 HB2 ALA 14 HB2 ALA 14 -9.743 3.040 4.750 98 HB3 ALA 14 HB3 ALA 14 -9.587 1.704 3.601 99 H TYR 15 H TYR 15 -10.115 2.406 1.035 100 HA TYR 15 HA TYR 15 -8.399 4.598 0.590 101 HB2 TYR 15 HB2 TYR 15 -7.991 2.405 -0.456 102 HB3 TYR 15 HB3 TYR 15 -9.507 2.508 -1.342 103 HD1 TYR 15 HD2 TYR 15 -6.296 4.419 -0.912 104 HD2 TYR 15 HD1 TYR 15 -9.400 3.233 -3.600 105 HE1 TYR 15 HE2 TYR 15 -5.107 5.490 -2.744 106 HE2 TYR 15 HE1 TYR 15 -8.203 4.324 -5.444 107 HH TYR 15 HH TYR 15 -6.542 6.145 -5.726 108 H LYS 16 H LYS 16 -11.601 3.738 -0.693 109 HA LYS 16 HA LYS 16 -11.828 6.000 -2.407 110 HB2 LYS 16 HB2 LYS 16 -13.871 3.953 -1.441 111 HB3 LYS 16 HB3 LYS 16 -14.279 5.247 -2.568 112 HG2 LYS 16 HG2 LYS 16 -12.244 3.039 -3.026 113 HG3 LYS 16 HG3 LYS 16 -13.833 3.177 -3.789 114 HD2 LYS 16 HD2 LYS 16 -13.127 5.221 -4.964 115 HD3 LYS 16 HD3 LYS 16 -11.579 5.210 -4.118 116 HE2 LYS 16 HE2 LYS 16 -11.061 3.020 -5.231 117 HE3 LYS 16 HE3 LYS 16 -12.547 3.201 -6.174 118 HZ1 LYS 16 HZ1 LYS 16 -10.558 4.001 -7.347 119 HZ2 LYS 16 HZ2 LYS 16 -10.318 5.165 -6.140 120 HZ3 LYS 16 HZ3 LYS 16 -11.697 5.229 -7.110 121 H LYS 17 H LYS 17 -12.803 5.366 0.919 122 HA LYS 17 HA LYS 17 -14.429 7.674 1.269 123 HB2 LYS 17 HB2 LYS 17 -14.504 5.734 2.802 124 HB3 LYS 17 HB3 LYS 17 -12.861 6.082 3.339 125 HG2 LYS 17 HG2 LYS 17 -13.574 8.170 4.364 126 HG3 LYS 17 HG3 LYS 17 -15.203 7.996 3.692 127 HD2 LYS 17 HD2 LYS 17 -15.610 6.025 5.078 128 HD3 LYS 17 HD3 LYS 17 -13.947 6.059 5.677 129 HE2 LYS 17 HE2 LYS 17 -15.455 7.000 7.353 130 HE3 LYS 17 HE3 LYS 17 -14.383 8.255 6.735 131 HZ1 LYS 17 HZ1 LYS 17 -17.220 7.836 5.958 132 HZ2 LYS 17 HZ2 LYS 17 -16.198 8.991 5.282 133 HZ3 LYS 17 HZ3 LYS 17 -16.617 9.090 6.912 134 H ALA 18 H ALA 18 -11.017 6.984 1.950 135 HA ALA 18 HA ALA 18 -10.220 9.583 2.723 136 HB1 ALA 18 HB1 ALA 18 -8.564 7.334 1.555 137 HB2 ALA 18 HB2 ALA 18 -8.931 7.572 3.264 138 HB3 ALA 18 HB3 ALA 18 -7.936 8.751 2.405 139 H GLU 19 H GLU 19 -10.707 8.111 -0.418 140 HA GLU 19 HA GLU 19 -9.176 9.978 -1.994 141 HB2 GLU 19 HB2 GLU 19 -9.633 7.599 -2.671 142 HB3 GLU 19 HB3 GLU 19 -11.340 7.994 -2.862 143 HG2 GLU 19 HG2 GLU 19 -10.720 9.629 -4.655 144 HG3 GLU 19 HG3 GLU 19 -9.035 9.134 -4.476 145 H GLU 20 H GLU 20 -12.576 9.655 -1.040 146 HA GLU 20 HA GLU 20 -13.543 11.856 -2.611 147 HB2 GLU 20 HB2 GLU 20 -14.763 10.585 -0.121 148 HB3 GLU 20 HB3 GLU 20 -15.574 11.736 -1.180 149 HG2 GLU 20 HG2 GLU 20 -14.809 8.876 -1.757 150 HG3 GLU 20 HG3 GLU 20 -16.407 9.599 -1.778 151 H LEU 21 H LEU 21 -12.245 11.499 0.629 152 HA LEU 21 HA LEU 21 -12.502 14.295 1.352 153 HB2 LEU 21 HB2 LEU 21 -10.923 11.993 2.591 154 HB3 LEU 21 HB3 LEU 21 -11.122 13.574 3.330 155 HG LEU 21 HG LEU 21 -13.393 11.608 2.782 156 HD11 LEU 21 HD11 LEU 21 -13.477 11.265 5.211 157 HD12 LEU 21 HD12 LEU 21 -12.067 12.310 5.423 158 HD13 LEU 21 HD13 LEU 21 -11.913 10.781 4.554 159 HD21 LEU 21 HD21 LEU 21 -14.174 13.917 2.685 160 HD22 LEU 21 HD22 LEU 21 -13.424 14.268 4.248 161 HD23 LEU 21 HD23 LEU 21 -14.769 13.127 4.142 162 H ASN 22 H ASN 22 -10.390 12.407 -0.518 163 HA ASN 22 HA ASN 22 -8.437 12.590 -1.561 164 HB2 ASN 22 HB2 ASN 22 -9.632 14.701 -2.380 165 HB3 ASN 22 HB3 ASN 22 -8.645 15.614 -1.247 166 HD21 ASN 22 HD21 ASN 22 -7.611 12.823 -3.241 167 HD22 ASN 22 HD22 ASN 22 -6.458 13.716 -4.165 168 H GLN 23 H GLN 23 -8.439 12.392 1.379 169 HA GLN 23 HA GLN 23 -6.039 13.652 2.360 170 HB2 GLN 23 HB2 GLN 23 -7.556 11.219 3.418 171 HB3 GLN 23 HB3 GLN 23 -6.236 12.032 4.260 172 HG2 GLN 23 HG2 GLN 23 -7.612 14.113 4.324 173 HG3 GLN 23 HG3 GLN 23 -8.947 13.218 3.592 174 HE21 GLN 23 HE21 GLN 23 -10.276 13.561 5.375 175 HE22 GLN 23 HE22 GLN 23 -10.060 12.737 6.875 176 H GLY 24 H GLY 24 -4.324 13.257 1.098 177 HA2 GLY 24 HA2 GLY 24 -3.829 11.089 -0.556 178 HA3 GLY 24 HA3 GLY 24 -2.623 12.228 -0.005 179 H GLU 25 H GLU 25 -2.289 11.777 2.571 180 HA GLU 25 HA GLU 25 -0.601 9.614 2.793 181 HB2 GLU 25 HB2 GLU 25 -0.373 11.423 4.350 182 HB3 GLU 25 HB3 GLU 25 -2.038 11.268 4.909 183 HG2 GLU 25 HG2 GLU 25 -1.474 9.071 5.934 184 HG3 GLU 25 HG3 GLU 25 0.199 9.273 5.408 185 H LEU 26 H LEU 26 -3.989 9.851 3.830 186 HA LEU 26 HA LEU 26 -4.155 7.349 5.149 187 HB2 LEU 26 HB2 LEU 26 -5.738 9.584 5.018 188 HB3 LEU 26 HB3 LEU 26 -6.651 8.519 3.972 189 HG LEU 26 HG LEU 26 -5.889 7.923 6.843 190 HD11 LEU 26 HD11 LEU 26 -8.256 8.273 7.373 191 HD12 LEU 26 HD12 LEU 26 -8.561 8.764 5.701 192 HD13 LEU 26 HD13 LEU 26 -7.498 9.730 6.734 193 HD21 LEU 26 HD21 LEU 26 -7.709 6.363 4.989 194 HD22 LEU 26 HD22 LEU 26 -7.461 6.032 6.710 195 HD23 LEU 26 HD23 LEU 26 -6.122 5.852 5.577 196 H MET 27 H MET 27 -4.931 8.405 1.858 197 HA MET 27 HA MET 27 -5.894 5.972 0.809 198 HB2 MET 27 HB2 MET 27 -4.425 8.234 -0.597 199 HB3 MET 27 HB3 MET 27 -5.174 6.885 -1.440 200 HG2 MET 27 HG2 MET 27 -7.363 7.575 -0.402 201 HG3 MET 27 HG3 MET 27 -6.549 9.037 0.164 202 HE1 MET 27 HE1 MET 27 -5.269 10.709 -1.607 203 HE2 MET 27 HE2 MET 27 -5.445 10.561 -3.356 204 HE3 MET 27 HE3 MET 27 -4.518 9.357 -2.461 205 H GLY 28 H GLY 28 -2.576 7.237 1.059 206 HA2 GLY 28 HA2 GLY 28 -1.196 5.167 -0.268 207 HA3 GLY 28 HA3 GLY 28 -0.525 6.235 0.954 208 H ARG 29 H ARG 29 -2.214 5.550 3.104 209 HA ARG 29 HA ARG 29 -0.953 3.258 4.181 210 HB2 ARG 29 HB2 ARG 29 -3.470 4.704 5.154 211 HB3 ARG 29 HB3 ARG 29 -2.564 3.510 6.093 212 HG2 ARG 29 HG2 ARG 29 -0.573 4.982 6.017 213 HG3 ARG 29 HG3 ARG 29 -1.505 6.183 5.123 214 HD2 ARG 29 HD2 ARG 29 -3.013 6.469 7.063 215 HD3 ARG 29 HD3 ARG 29 -2.116 5.226 7.950 216 HE ARG 29 HE ARG 29 -1.400 7.971 7.610 217 HH11 ARG 29 HH11 ARG 29 0.005 4.774 8.060 218 HH12 ARG 29 HH12 ARG 29 1.483 5.388 8.713 219 HH21 ARG 29 HH21 ARG 29 0.627 8.746 8.354 220 HH22 ARG 29 HH22 ARG 29 1.829 7.617 8.873 221 H ALA 30 H ALA 30 -4.103 3.798 2.683 222 HA ALA 30 HA ALA 30 -5.353 1.331 3.187 223 HB1 ALA 30 HB1 ALA 30 -5.715 3.189 0.804 224 HB2 ALA 30 HB2 ALA 30 -6.542 3.328 2.361 225 HB3 ALA 30 HB3 ALA 30 -6.845 1.931 1.325 226 H LEU 31 H LEU 31 -3.411 2.432 0.411 227 HA LEU 31 HA LEU 31 -3.475 0.062 -1.131 228 HB2 LEU 31 HB2 LEU 31 -1.392 2.284 -1.055 229 HB3 LEU 31 HB3 LEU 31 -1.538 1.086 -2.338 230 HG LEU 31 HG LEU 31 -3.712 3.110 -1.653 231 HD11 LEU 31 HD11 LEU 31 -1.702 4.264 -2.448 232 HD12 LEU 31 HD12 LEU 31 -3.010 4.358 -3.625 233 HD13 LEU 31 HD13 LEU 31 -1.668 3.238 -3.885 234 HD21 LEU 31 HD21 LEU 31 -4.577 1.089 -2.733 235 HD22 LEU 31 HD22 LEU 31 -3.401 1.258 -4.043 236 HD23 LEU 31 HD23 LEU 31 -4.669 2.470 -3.825 237 H TYR 32 H TYR 32 -1.253 1.263 1.332 238 HA TYR 32 HA TYR 32 0.807 -0.641 1.145 239 HB2 TYR 32 HB2 TYR 32 1.043 1.505 2.348 240 HB3 TYR 32 HB3 TYR 32 -0.160 1.009 3.530 241 HD1 TYR 32 HD2 TYR 32 3.179 -0.051 2.157 242 HD2 TYR 32 HD1 TYR 32 0.607 0.069 5.574 243 HE1 TYR 32 HE2 TYR 32 4.988 -0.958 3.551 244 HE2 TYR 32 HE1 TYR 32 2.419 -0.835 6.968 245 HH TYR 32 HH TYR 32 5.681 -1.188 5.778 246 H ASN 33 H ASN 33 -2.182 -0.559 3.099 247 HA ASN 33 HA ASN 33 -1.787 -2.940 4.583 248 HB2 ASN 33 HB2 ASN 33 -4.391 -1.543 3.845 249 HB3 ASN 33 HB3 ASN 33 -4.252 -2.821 5.048 250 HD21 ASN 33 HD21 ASN 33 -5.252 -0.178 5.396 251 HD22 ASN 33 HD22 ASN 33 -4.270 0.603 6.579 252 H ILE 34 H ILE 34 -3.537 -2.300 1.536 253 HA ILE 34 HA ILE 34 -4.468 -4.881 0.948 254 HB ILE 34 HB ILE 34 -3.559 -2.688 -0.979 255 HG12 ILE 34 HG12 ILE 34 -6.380 -3.399 -0.047 256 HG13 ILE 34 HG13 ILE 34 -5.437 -2.036 0.540 257 HG21 ILE 34 HG21 ILE 34 -3.573 -4.837 -2.157 258 HG22 ILE 34 HG22 ILE 34 -4.917 -3.839 -2.713 259 HG23 ILE 34 HG23 ILE 34 -5.210 -5.165 -1.586 260 HD11 ILE 34 HD11 ILE 34 -6.421 -2.422 -2.286 261 HD12 ILE 34 HD12 ILE 34 -5.446 -1.065 -1.713 262 HD13 ILE 34 HD13 ILE 34 -7.073 -1.312 -1.080 263 H GLY 35 H GLY 35 -1.369 -3.292 0.269 264 HA2 GLY 35 HA2 GLY 35 -0.172 -5.216 -1.382 265 HA3 GLY 35 HA3 GLY 35 0.662 -3.993 -0.447 266 H LEU 36 H LEU 36 -0.076 -4.804 2.148 267 HA LEU 36 HA LEU 36 1.817 -6.780 2.791 268 HB2 LEU 36 HB2 LEU 36 -0.591 -5.805 4.382 269 HB3 LEU 36 HB3 LEU 36 0.701 -6.789 5.060 270 HG LEU 36 HG LEU 36 1.075 -3.988 3.916 271 HD11 LEU 36 HD11 LEU 36 0.994 -4.862 6.812 272 HD12 LEU 36 HD12 LEU 36 -0.250 -3.932 5.966 273 HD13 LEU 36 HD13 LEU 36 1.351 -3.238 6.209 274 HD21 LEU 36 HD21 LEU 36 3.314 -4.081 4.914 275 HD22 LEU 36 HD22 LEU 36 3.105 -5.346 3.706 276 HD23 LEU 36 HD23 LEU 36 3.031 -5.751 5.424 277 H GLU 37 H GLU 37 -1.694 -6.988 2.289 278 HA GLU 37 HA GLU 37 -1.839 -9.803 2.921 279 HB2 GLU 37 HB2 GLU 37 -3.994 -7.914 1.893 280 HB3 GLU 37 HB3 GLU 37 -4.263 -9.604 2.344 281 HG2 GLU 37 HG2 GLU 37 -3.152 -8.906 4.616 282 HG3 GLU 37 HG3 GLU 37 -3.545 -7.265 4.107 283 H LYS 38 H LYS 38 -1.565 -7.931 -0.042 284 HA LYS 38 HA LYS 38 -2.045 -10.029 -1.897 285 HB2 LYS 38 HB2 LYS 38 -0.224 -7.585 -2.056 286 HB3 LYS 38 HB3 LYS 38 -0.457 -8.688 -3.408 287 HG2 LYS 38 HG2 LYS 38 -2.666 -7.081 -2.086 288 HG3 LYS 38 HG3 LYS 38 -1.816 -6.617 -3.568 289 HD2 LYS 38 HD2 LYS 38 -2.628 -8.707 -4.668 290 HD3 LYS 38 HD3 LYS 38 -3.498 -9.132 -3.190 291 HE2 LYS 38 HE2 LYS 38 -4.941 -7.181 -3.432 292 HE3 LYS 38 HE3 LYS 38 -4.002 -6.622 -4.818 293 HZ1 LYS 38 HZ1 LYS 38 -5.624 -9.094 -4.682 294 HZ2 LYS 38 HZ2 LYS 38 -4.663 -8.651 -5.997 295 HZ3 LYS 38 HZ3 LYS 38 -5.989 -7.700 -5.557 296 H ASN 39 H ASN 39 0.739 -8.998 -0.025 297 HA ASN 39 HA ASN 39 2.752 -10.591 -1.162 298 HB2 ASN 39 HB2 ASN 39 3.065 -8.553 0.316 299 HB3 ASN 39 HB3 ASN 39 2.645 -9.547 1.703 300 HD21 ASN 39 HD21 ASN 39 5.109 -8.091 1.135 301 HD22 ASN 39 HD22 ASN 39 6.383 -9.257 1.180 302 H LYS 40 H LYS 40 0.693 -11.189 1.729 303 HA LYS 40 HA LYS 40 1.916 -13.688 2.379 304 HB2 LYS 40 HB2 LYS 40 0.015 -14.030 3.937 305 HB3 LYS 40 HB3 LYS 40 0.760 -12.450 4.128 306 HG2 LYS 40 HG2 LYS 40 -1.072 -11.309 3.257 307 HG3 LYS 40 HG3 LYS 40 -1.666 -12.702 2.354 308 HD2 LYS 40 HD2 LYS 40 -1.736 -12.495 5.395 309 HD3 LYS 40 HD3 LYS 40 -3.079 -12.046 4.341 310 HE2 LYS 40 HE2 LYS 40 -3.231 -14.351 3.501 311 HE3 LYS 40 HE3 LYS 40 -1.834 -14.822 4.472 312 HZ1 LYS 40 HZ1 LYS 40 -3.915 -15.464 5.514 313 HZ2 LYS 40 HZ2 LYS 40 -4.428 -13.854 5.561 314 HZ3 LYS 40 HZ3 LYS 40 -3.088 -14.344 6.463 315 H MET 41 H MET 41 -0.560 -12.865 0.067 316 HA MET 41 HA MET 41 -1.623 -15.558 -0.190 317 HB2 MET 41 HB2 MET 41 -1.979 -13.092 -1.959 318 HB3 MET 41 HB3 MET 41 -2.786 -14.632 -2.234 319 HG2 MET 41 HG2 MET 41 -3.809 -14.409 0.056 320 HG3 MET 41 HG3 MET 41 -3.162 -12.773 0.115 321 HE1 MET 41 HE1 MET 41 -5.195 -11.021 -2.765 322 HE2 MET 41 HE2 MET 41 -3.636 -11.807 -2.999 323 HE3 MET 41 HE3 MET 41 -3.927 -10.830 -1.553 324 H GLY 42 H GLY 42 1.177 -13.972 -1.326 325 HA2 GLY 42 HA2 GLY 42 2.877 -14.886 -2.657 326 HA3 GLY 42 HA3 GLY 42 1.765 -16.085 -3.296 327 H LYS 43 H LYS 43 0.188 -13.197 -3.353 328 HA LYS 43 HA LYS 43 0.754 -12.642 -6.183 329 HB2 LYS 43 HB2 LYS 43 -1.340 -11.434 -4.302 330 HB3 LYS 43 HB3 LYS 43 -1.259 -11.232 -6.054 331 HG2 LYS 43 HG2 LYS 43 -1.598 -13.720 -6.287 332 HG3 LYS 43 HG3 LYS 43 -1.863 -13.790 -4.538 333 HD2 LYS 43 HD2 LYS 43 -3.807 -12.270 -4.771 334 HD3 LYS 43 HD3 LYS 43 -3.526 -12.159 -6.511 335 HE2 LYS 43 HE2 LYS 43 -3.896 -14.645 -6.641 336 HE3 LYS 43 HE3 LYS 43 -4.352 -14.621 -4.939 337 HZ1 LYS 43 HZ1 LYS 43 -5.725 -13.122 -7.112 338 HZ2 LYS 43 HZ2 LYS 43 -6.156 -13.128 -5.474 339 HZ3 LYS 43 HZ3 LYS 43 -6.277 -14.543 -6.378 340 H VAL 44 H VAL 44 2.938 -12.126 -5.009 341 HA VAL 44 HA VAL 44 3.098 -9.690 -3.487 342 HB VAL 44 HB VAL 44 5.503 -11.232 -4.540 343 HG11 VAL 44 HG11 VAL 44 6.014 -9.075 -3.467 344 HG12 VAL 44 HG12 VAL 44 6.600 -10.412 -2.474 345 HG13 VAL 44 HG13 VAL 44 5.117 -9.563 -2.023 346 HG21 VAL 44 HG21 VAL 44 3.893 -11.898 -2.052 347 HG22 VAL 44 HG22 VAL 44 5.437 -12.630 -2.502 348 HG23 VAL 44 HG23 VAL 44 4.012 -12.883 -3.512 349 H LYS 45 H LYS 45 3.446 -10.538 -6.861 350 HA LYS 45 HA LYS 45 4.890 -8.327 -7.835 351 HB2 LYS 45 HB2 LYS 45 2.673 -9.970 -9.120 352 HB3 LYS 45 HB3 LYS 45 3.419 -8.619 -9.953 353 HG2 LYS 45 HG2 LYS 45 4.466 -10.585 -10.755 354 HG3 LYS 45 HG3 LYS 45 5.633 -9.754 -9.726 355 HD2 LYS 45 HD2 LYS 45 5.206 -11.346 -7.906 356 HD3 LYS 45 HD3 LYS 45 3.949 -12.141 -8.858 357 HE2 LYS 45 HE2 LYS 45 5.669 -12.765 -10.549 358 HE3 LYS 45 HE3 LYS 45 6.910 -12.027 -9.533 359 HZ1 LYS 45 HZ1 LYS 45 6.418 -13.630 -7.820 360 HZ2 LYS 45 HZ2 LYS 45 6.798 -14.421 -9.254 361 HZ3 LYS 45 HZ3 LYS 45 5.190 -14.315 -8.749 362 H GLU 46 H GLU 46 1.377 -8.715 -7.244 363 HA GLU 46 HA GLU 46 0.572 -6.062 -7.783 364 HB2 GLU 46 HB2 GLU 46 -0.665 -8.088 -5.864 365 HB3 GLU 46 HB3 GLU 46 -1.424 -6.564 -6.327 366 HG2 GLU 46 HG2 GLU 46 -1.428 -7.335 -8.705 367 HG3 GLU 46 HG3 GLU 46 -0.779 -8.886 -8.171 368 H ALA 47 H ALA 47 1.646 -7.651 -4.781 369 HA ALA 47 HA ALA 47 1.224 -5.656 -2.901 370 HB1 ALA 47 HB1 ALA 47 2.929 -6.770 -1.537 371 HB2 ALA 47 HB2 ALA 47 3.518 -7.646 -2.952 372 HB3 ALA 47 HB3 ALA 47 1.897 -7.969 -2.329 373 H ILE 48 H ILE 48 4.051 -6.205 -4.972 374 HA ILE 48 HA ILE 48 5.769 -4.193 -4.084 375 HB ILE 48 HB ILE 48 5.423 -5.539 -6.802 376 HG12 ILE 48 HG12 ILE 48 7.618 -5.819 -4.700 377 HG13 ILE 48 HG13 ILE 48 6.262 -6.925 -4.885 378 HG21 ILE 48 HG21 ILE 48 7.594 -4.589 -7.522 379 HG22 ILE 48 HG22 ILE 48 7.634 -3.591 -6.069 380 HG23 ILE 48 HG23 ILE 48 6.379 -3.332 -7.280 381 HD11 ILE 48 HD11 ILE 48 8.258 -7.840 -5.872 382 HD12 ILE 48 HD12 ILE 48 8.442 -6.428 -6.910 383 HD13 ILE 48 HD13 ILE 48 7.065 -7.515 -7.128 384 H GLU 49 H GLU 49 3.364 -4.144 -6.732 385 HA GLU 49 HA GLU 49 3.751 -1.438 -7.443 386 HB2 GLU 49 HB2 GLU 49 1.399 -3.300 -7.968 387 HB3 GLU 49 HB3 GLU 49 1.544 -1.678 -8.659 388 HG2 GLU 49 HG2 GLU 49 3.756 -2.402 -9.665 389 HG3 GLU 49 HG3 GLU 49 3.377 -4.046 -9.139 390 H TYR 50 H TYR 50 1.673 -2.937 -5.005 391 HA TYR 50 HA TYR 50 0.084 -0.597 -4.508 392 HB2 TYR 50 HB2 TYR 50 0.428 -3.249 -3.073 393 HB3 TYR 50 HB3 TYR 50 -0.404 -1.920 -2.272 394 HD1 TYR 50 HD2 TYR 50 -2.316 -0.751 -3.661 395 HD2 TYR 50 HD1 TYR 50 -0.866 -4.690 -4.453 396 HE1 TYR 50 HE2 TYR 50 -4.393 -1.279 -4.857 397 HE2 TYR 50 HE1 TYR 50 -2.935 -5.218 -5.655 398 HH TYR 50 HH TYR 50 -5.137 -2.862 -6.627 399 H PHE 51 H PHE 51 3.057 -1.941 -3.127 400 HA PHE 51 HA PHE 51 3.341 0.046 -1.071 401 HB2 PHE 51 HB2 PHE 51 5.446 -1.724 -2.377 402 HB3 PHE 51 HB3 PHE 51 5.719 -0.747 -0.942 403 HD1 PHE 51 HD1 PHE 51 3.031 -1.424 0.470 404 HD2 PHE 51 HD2 PHE 51 5.995 -3.845 -1.465 405 HE1 PHE 51 HE1 PHE 51 2.418 -3.340 1.898 406 HE2 PHE 51 HE2 PHE 51 5.365 -5.749 -0.046 407 HZ PHE 51 HZ PHE 51 3.582 -5.497 1.635 408 H LEU 52 H LEU 52 4.145 -0.169 -4.481 409 HA LEU 52 HA LEU 52 5.975 2.053 -4.593 410 HB2 LEU 52 HB2 LEU 52 4.419 0.545 -6.726 411 HB3 LEU 52 HB3 LEU 52 5.428 1.925 -7.128 412 HG LEU 52 HG LEU 52 6.453 -0.643 -5.850 413 HD11 LEU 52 HD11 LEU 52 5.683 -1.041 -8.139 414 HD12 LEU 52 HD12 LEU 52 7.437 -1.148 -8.026 415 HD13 LEU 52 HD13 LEU 52 6.687 0.292 -8.726 416 HD21 LEU 52 HD21 LEU 52 8.684 0.234 -6.355 417 HD22 LEU 52 HD22 LEU 52 7.820 1.308 -5.260 418 HD23 LEU 52 HD23 LEU 52 7.978 1.734 -6.968 419 H ARG 53 H ARG 53 2.514 1.600 -5.301 420 HA ARG 53 HA ARG 53 1.937 4.263 -6.115 421 HB2 ARG 53 HB2 ARG 53 0.100 2.079 -5.021 422 HB3 ARG 53 HB3 ARG 53 -0.477 3.603 -5.697 423 HG2 ARG 53 HG2 ARG 53 0.350 3.043 -7.882 424 HG3 ARG 53 HG3 ARG 53 1.224 1.645 -7.261 425 HD2 ARG 53 HD2 ARG 53 -0.706 0.775 -8.332 426 HD3 ARG 53 HD3 ARG 53 -1.031 0.670 -6.604 427 HE ARG 53 HE ARG 53 -2.411 2.703 -6.859 428 HH11 ARG 53 HH11 ARG 53 -1.845 0.707 -9.708 429 HH12 ARG 53 HH12 ARG 53 -3.274 1.247 -10.524 430 HH21 ARG 53 HH21 ARG 53 -4.259 3.457 -7.974 431 HH22 ARG 53 HH22 ARG 53 -4.641 2.807 -9.539 432 H ALA 54 H ALA 54 1.649 2.527 -3.017 433 HA ALA 54 HA ALA 54 0.594 4.548 -1.405 434 HB1 ALA 54 HB1 ALA 54 2.525 2.337 -0.619 435 HB2 ALA 54 HB2 ALA 54 0.766 2.191 -0.706 436 HB3 ALA 54 HB3 ALA 54 1.501 3.265 0.487 437 H LYS 55 H LYS 55 3.993 3.640 -1.962 438 HA LYS 55 HA LYS 55 5.276 5.537 -0.376 439 HB2 LYS 55 HB2 LYS 55 6.449 3.590 -1.289 440 HB3 LYS 55 HB3 LYS 55 6.187 4.151 -2.942 441 HG2 LYS 55 HG2 LYS 55 7.620 6.149 -2.437 442 HG3 LYS 55 HG3 LYS 55 7.935 5.465 -0.837 443 HD2 LYS 55 HD2 LYS 55 8.998 3.491 -1.892 444 HD3 LYS 55 HD3 LYS 55 8.669 4.172 -3.493 445 HE2 LYS 55 HE2 LYS 55 10.441 5.418 -1.355 446 HE3 LYS 55 HE3 LYS 55 10.992 4.611 -2.825 447 HZ1 LYS 55 HZ1 LYS 55 9.341 7.095 -2.755 448 HZ2 LYS 55 HZ2 LYS 55 9.946 6.332 -4.144 449 HZ3 LYS 55 HZ3 LYS 55 11.010 7.025 -3.035 450 H LYS 56 H LYS 56 4.302 5.661 -3.791 451 HA LYS 56 HA LYS 56 5.525 8.070 -4.533 452 HB2 LYS 56 HB2 LYS 56 4.634 6.405 -6.148 453 HB3 LYS 56 HB3 LYS 56 2.996 6.781 -5.644 454 HG2 LYS 56 HG2 LYS 56 3.472 7.860 -7.775 455 HG3 LYS 56 HG3 LYS 56 3.246 9.083 -6.525 456 HD2 LYS 56 HD2 LYS 56 5.100 9.731 -7.944 457 HD3 LYS 56 HD3 LYS 56 5.735 9.311 -6.350 458 HE2 LYS 56 HE2 LYS 56 7.156 8.409 -8.138 459 HE3 LYS 56 HE3 LYS 56 6.420 7.095 -7.222 460 HZ1 LYS 56 HZ1 LYS 56 6.375 6.735 -9.630 461 HZ2 LYS 56 HZ2 LYS 56 5.431 8.114 -9.831 462 HZ3 LYS 56 HZ3 LYS 56 4.815 6.793 -8.980 463 H VAL 57 H VAL 57 2.342 7.389 -3.120 464 HA VAL 57 HA VAL 57 1.372 10.063 -3.243 465 HB VAL 57 HB VAL 57 0.478 7.853 -1.333 466 HG11 VAL 57 HG11 VAL 57 -0.250 10.088 -0.616 467 HG12 VAL 57 HG12 VAL 57 -1.628 9.160 -1.213 468 HG13 VAL 57 HG13 VAL 57 -0.902 10.412 -2.225 469 HG21 VAL 57 HG21 VAL 57 -1.325 7.383 -2.962 470 HG22 VAL 57 HG22 VAL 57 0.257 7.155 -3.707 471 HG23 VAL 57 HG23 VAL 57 -0.668 8.609 -4.054 472 H PHE 58 H PHE 58 3.051 8.165 -0.689 473 HA PHE 58 HA PHE 58 3.098 10.193 1.297 474 HB2 PHE 58 HB2 PHE 58 4.938 7.802 0.890 475 HB3 PHE 58 HB3 PHE 58 5.040 8.869 2.284 476 HD1 PHE 58 HD2 PHE 58 2.551 9.263 3.430 477 HD2 PHE 58 HD1 PHE 58 3.852 5.776 1.309 478 HE1 PHE 58 HE2 PHE 58 0.913 7.885 4.647 479 HE2 PHE 58 HE1 PHE 58 2.218 4.416 2.538 480 HZ PHE 58 HZ PHE 58 0.749 5.469 4.206 481 H ASP 59 H ASP 59 5.121 9.632 -1.512 482 HA ASP 59 HA ASP 59 7.266 11.411 -0.850 483 HB2 ASP 59 HB2 ASP 59 6.290 10.440 -3.578 484 HB3 ASP 59 HB3 ASP 59 7.740 11.406 -3.344 485 H ALA 60 H ALA 60 4.132 11.770 -2.449 486 HA ALA 60 HA ALA 60 4.358 14.558 -3.111 487 HB1 ALA 60 HB1 ALA 60 1.927 14.425 -3.573 488 HB2 ALA 60 HB2 ALA 60 1.862 12.824 -2.828 489 HB3 ALA 60 HB3 ALA 60 2.785 13.070 -4.313 490 H GLU 61 H GLU 61 3.148 12.739 -0.342 491 HA GLU 61 HA GLU 61 2.004 14.968 1.083 492 HB2 GLU 61 HB2 GLU 61 2.779 12.158 2.046 493 HB3 GLU 61 HB3 GLU 61 1.808 13.311 2.960 494 HG2 GLU 61 HG2 GLU 61 1.026 12.060 0.316 495 HG3 GLU 61 HG3 GLU 61 0.444 11.560 1.898 496 H HIS 62 H HIS 62 5.174 13.792 0.604 497 HA HIS 62 HA HIS 62 7.225 14.230 1.393 498 HB2 HIS 62 HB2 HIS 62 5.929 16.547 2.889 499 HB3 HIS 62 HB3 HIS 62 7.662 16.347 2.638 500 HD1 HIS 62 HD1 HIS 62 5.128 18.357 1.393 501 HD2 HIS 62 HD2 HIS 62 7.959 15.961 -0.474 502 HE1 HIS 62 HE1 HIS 62 5.372 19.275 -0.925 503 HE2 HIS 62 HE2 HIS 62 7.228 17.932 -1.952 504 H ASP 63 H ASP 63 5.183 12.595 2.958 505 HA ASP 63 HA ASP 63 6.403 12.457 5.603 506 HB2 ASP 63 HB2 ASP 63 4.291 10.763 4.191 507 HB3 ASP 63 HB3 ASP 63 4.960 10.302 5.754 508 H THR 64 H THR 64 8.573 12.157 5.076 509 HA THR 64 HA THR 64 9.689 10.238 3.369 510 HB THR 64 HB THR 64 11.004 12.119 4.197 511 HG1 THR 64 HG1 THR 64 12.274 10.404 3.577 512 HG21 THR 64 HG21 THR 64 10.932 10.818 6.951 513 HG22 THR 64 HG22 THR 64 10.155 12.330 6.483 514 HG23 THR 64 HG23 THR 64 11.911 12.220 6.494 515 H ASP 65 H ASP 65 8.622 9.975 6.701 516 HA ASP 65 HA ASP 65 9.651 7.469 7.420 517 HB2 ASP 65 HB2 ASP 65 8.708 8.807 9.163 518 HB3 ASP 65 HB3 ASP 65 7.193 9.022 8.294 519 H GLY 66 H GLY 66 6.497 8.332 5.893 520 HA2 GLY 66 HA2 GLY 66 5.526 5.647 5.711 521 HA3 GLY 66 HA3 GLY 66 4.862 7.054 4.899 522 H ALA 67 H ALA 67 7.225 7.771 3.441 523 HA ALA 67 HA ALA 67 6.919 6.204 1.106 524 HB1 ALA 67 HB1 ALA 67 8.769 7.567 0.213 525 HB2 ALA 67 HB2 ALA 67 9.124 8.159 1.841 526 HB3 ALA 67 HB3 ALA 67 7.592 8.572 1.066 527 H ARG 68 H ARG 68 9.580 6.446 3.448 528 HA ARG 68 HA ARG 68 11.161 4.338 2.380 529 HB2 ARG 68 HB2 ARG 68 11.207 5.798 5.054 530 HB3 ARG 68 HB3 ARG 68 12.347 4.508 4.676 531 HG2 ARG 68 HG2 ARG 68 13.200 5.780 2.755 532 HG3 ARG 68 HG3 ARG 68 12.034 7.070 3.059 533 HD2 ARG 68 HD2 ARG 68 13.117 7.638 5.144 534 HD3 ARG 68 HD3 ARG 68 14.177 6.227 5.042 535 HE ARG 68 HE ARG 68 14.979 7.382 2.874 536 HH11 ARG 68 HH11 ARG 68 14.089 9.135 5.790 537 HH12 ARG 68 HH12 ARG 68 15.148 10.463 5.466 538 HH21 ARG 68 HH21 ARG 68 16.356 9.133 2.436 539 HH22 ARG 68 HH22 ARG 68 16.438 10.454 3.551 540 H ARG 69 H ARG 69 8.496 4.405 4.672 541 HA ARG 69 HA ARG 69 8.830 1.848 5.883 542 HB2 ARG 69 HB2 ARG 69 7.334 3.635 6.773 543 HB3 ARG 69 HB3 ARG 69 6.270 3.439 5.388 544 HG2 ARG 69 HG2 ARG 69 5.735 1.130 6.143 545 HG3 ARG 69 HG3 ARG 69 6.797 1.356 7.539 546 HD2 ARG 69 HD2 ARG 69 4.284 2.954 6.923 547 HD3 ARG 69 HD3 ARG 69 4.439 1.696 8.150 548 HE ARG 69 HE ARG 69 5.810 4.329 8.228 549 HH11 ARG 69 HH11 ARG 69 4.357 1.609 9.936 550 HH12 ARG 69 HH12 ARG 69 4.596 2.312 11.501 551 HH21 ARG 69 HH21 ARG 69 6.120 5.233 10.281 552 HH22 ARG 69 HH22 ARG 69 5.596 4.376 11.694 553 H ALA 70 H ALA 70 6.972 2.927 3.044 554 HA ALA 70 HA ALA 70 5.953 0.370 2.311 555 HB1 ALA 70 HB1 ALA 70 6.315 2.873 0.642 556 HB2 ALA 70 HB2 ALA 70 4.897 2.466 1.613 557 HB3 ALA 70 HB3 ALA 70 5.317 1.479 0.210 558 H ALA 71 H ALA 71 8.816 2.245 1.367 559 HA ALA 71 HA ALA 71 9.829 0.455 -0.590 560 HB1 ALA 71 HB1 ALA 71 11.319 2.510 1.060 561 HB2 ALA 71 HB2 ALA 71 10.483 2.823 -0.463 562 HB3 ALA 71 HB3 ALA 71 11.891 1.758 -0.433 563 H LYS 72 H LYS 72 10.071 0.519 2.893 564 HA LYS 72 HA LYS 72 12.227 -1.312 3.261 565 HB2 LYS 72 HB2 LYS 72 11.409 0.218 5.040 566 HB3 LYS 72 HB3 LYS 72 9.867 -0.629 5.078 567 HG2 LYS 72 HG2 LYS 72 11.119 -2.705 5.815 568 HG3 LYS 72 HG3 LYS 72 12.580 -1.717 5.938 569 HD2 LYS 72 HD2 LYS 72 10.001 -1.351 7.518 570 HD3 LYS 72 HD3 LYS 72 11.527 -1.988 8.134 571 HE2 LYS 72 HE2 LYS 72 11.011 0.855 7.184 572 HE3 LYS 72 HE3 LYS 72 11.267 0.320 8.846 573 HZ1 LYS 72 HZ1 LYS 72 13.305 1.202 8.104 574 HZ2 LYS 72 HZ2 LYS 72 13.237 0.376 6.635 575 HZ3 LYS 72 HZ3 LYS 72 13.514 -0.473 8.067 576 H SER 73 H SER 73 8.703 -1.623 3.120 577 HA SER 73 HA SER 73 8.552 -4.446 3.416 578 HB2 SER 73 HB2 SER 73 6.567 -2.519 2.150 579 HB3 SER 73 HB3 SER 73 6.207 -4.150 2.740 580 HG SER 73 HG SER 73 7.104 -3.246 4.822 581 H LEU 74 H LEU 74 8.927 -2.299 0.631 582 HA LEU 74 HA LEU 74 8.662 -4.143 -1.478 583 HB2 LEU 74 HB2 LEU 74 10.158 -1.530 -1.159 584 HB3 LEU 74 HB3 LEU 74 10.379 -2.465 -2.628 585 HG LEU 74 HG LEU 74 7.657 -1.545 -1.653 586 HD11 LEU 74 HD11 LEU 74 9.415 -0.233 -3.731 587 HD12 LEU 74 HD12 LEU 74 8.998 0.429 -2.146 588 HD13 LEU 74 HD13 LEU 74 7.739 0.188 -3.356 589 HD21 LEU 74 HD21 LEU 74 6.975 -2.066 -3.959 590 HD22 LEU 74 HD22 LEU 74 7.572 -3.487 -3.111 591 HD23 LEU 74 HD23 LEU 74 8.596 -2.679 -4.306 592 H SER 75 H SER 75 11.463 -3.207 0.488 593 HA SER 75 HA SER 75 13.481 -4.467 -0.964 594 HB2 SER 75 HB2 SER 75 13.790 -2.766 0.875 595 HB3 SER 75 HB3 SER 75 13.440 -4.032 2.055 596 HG SER 75 HG SER 75 15.532 -4.093 0.134 597 H GLU 76 H GLU 76 11.369 -5.736 1.580 598 HA GLU 76 HA GLU 76 12.570 -8.356 1.711 599 HB2 GLU 76 HB2 GLU 76 9.841 -7.462 2.756 600 HB3 GLU 76 HB3 GLU 76 10.733 -8.912 3.230 601 HG2 GLU 76 HG2 GLU 76 12.558 -7.387 4.109 602 HG3 GLU 76 HG3 GLU 76 11.468 -6.028 3.820 603 H ALA 77 H ALA 77 9.795 -6.891 0.077 604 HA ALA 77 HA ALA 77 8.468 -9.209 -0.821 605 HB1 ALA 77 HB1 ALA 77 8.523 -6.441 -2.085 606 HB2 ALA 77 HB2 ALA 77 7.428 -6.971 -0.804 607 HB3 ALA 77 HB3 ALA 77 7.330 -7.703 -2.408 608 H TYR 78 H TYR 78 11.079 -7.289 -2.284 609 HA TYR 78 HA TYR 78 11.183 -8.624 -4.784 610 HB2 TYR 78 HB2 TYR 78 13.116 -6.823 -3.283 611 HB3 TYR 78 HB3 TYR 78 13.573 -7.549 -4.820 612 HD1 TYR 78 HD2 TYR 78 11.658 -7.259 -6.725 613 HD2 TYR 78 HD1 TYR 78 12.245 -4.621 -3.416 614 HE1 TYR 78 HE2 TYR 78 10.559 -5.453 -7.967 615 HE2 TYR 78 HE1 TYR 78 11.143 -2.809 -4.662 616 HH TYR 78 HH TYR 78 10.572 -2.166 -6.905 617 H GLN 79 H GLN 79 12.450 -9.476 -1.637 618 HA GLN 79 HA GLN 79 14.583 -11.179 -2.469 619 HB2 GLN 79 HB2 GLN 79 12.994 -11.408 0.121 620 HB3 GLN 79 HB3 GLN 79 14.591 -12.080 -0.186 621 HG2 GLN 79 HG2 GLN 79 13.938 -9.126 -0.100 622 HG3 GLN 79 HG3 GLN 79 14.596 -10.046 1.245 623 HE21 GLN 79 HE21 GLN 79 16.433 -8.824 1.434 624 HE22 GLN 79 HE22 GLN 79 17.688 -8.779 0.261 625 H LYS 80 H LYS 80 11.163 -11.775 -1.719 626 HA LYS 80 HA LYS 80 11.407 -14.634 -2.150 627 HB2 LYS 80 HB2 LYS 80 8.952 -14.664 -1.700 628 HB3 LYS 80 HB3 LYS 80 9.912 -13.940 -0.417 629 HG2 LYS 80 HG2 LYS 80 9.242 -11.691 -1.133 630 HG3 LYS 80 HG3 LYS 80 8.340 -12.375 -2.491 631 HD2 LYS 80 HD2 LYS 80 6.891 -11.729 -0.559 632 HD3 LYS 80 HD3 LYS 80 6.753 -13.433 -0.990 633 HE2 LYS 80 HE2 LYS 80 8.220 -14.029 0.904 634 HE3 LYS 80 HE3 LYS 80 8.397 -12.319 1.308 635 HZ1 LYS 80 HZ1 LYS 80 5.799 -13.753 1.265 636 HZ2 LYS 80 HZ2 LYS 80 6.092 -12.185 1.836 637 HZ3 LYS 80 HZ3 LYS 80 6.725 -13.516 2.656 638 H VAL 81 H VAL 81 10.253 -11.842 -3.998 639 HA VAL 81 HA VAL 81 8.947 -13.281 -6.093 640 HB VAL 81 HB VAL 81 10.152 -10.461 -6.042 641 HG11 VAL 81 HG11 VAL 81 8.849 -9.981 -8.109 642 HG12 VAL 81 HG12 VAL 81 8.374 -11.678 -8.207 643 HG13 VAL 81 HG13 VAL 81 10.069 -11.224 -8.402 644 HG21 VAL 81 HG21 VAL 81 8.227 -10.822 -4.531 645 HG22 VAL 81 HG22 VAL 81 7.263 -11.399 -5.889 646 HG23 VAL 81 HG23 VAL 81 7.805 -9.721 -5.844 647 H GLU 82 H GLU 82 12.121 -11.623 -6.052 648 HA GLU 82 HA GLU 82 12.897 -12.850 -8.562 649 HB2 GLU 82 HB2 GLU 82 14.426 -10.935 -6.755 650 HB3 GLU 82 HB3 GLU 82 14.869 -11.373 -8.410 651 HG2 GLU 82 HG2 GLU 82 12.789 -10.372 -9.260 652 HG3 GLU 82 HG3 GLU 82 12.290 -9.965 -7.617 653 H GLY 83 H GLY 83 13.519 -13.422 -5.167 654 HA2 GLY 83 HA2 GLY 83 15.694 -15.313 -5.612 655 HA3 GLY 83 HA3 GLY 83 14.844 -14.992 -4.106 656 H SER 84 H SER 84 12.241 -15.358 -5.703 657 HA SER 84 HA SER 84 10.652 -16.910 -5.974 658 HB2 SER 84 HB2 SER 84 12.946 -18.695 -6.908 659 HB3 SER 84 HB3 SER 84 11.229 -19.003 -7.198 660 HG SER 84 HG SER 84 11.713 -16.524 -7.986 661 H GLY 85 H GLY 85 11.328 -16.532 -3.435 662 HA2 GLY 85 HA2 GLY 85 11.040 -19.198 -2.148 663 HA3 GLY 85 HA3 GLY 85 12.021 -17.908 -1.449 664 H ASP 86 H ASP 86 8.799 -18.143 -2.918 665 HA ASP 86 HA ASP 86 7.753 -15.989 -1.316 666 HB2 ASP 86 HB2 ASP 86 6.324 -17.834 -3.278 667 HB3 ASP 86 HB3 ASP 86 5.653 -16.355 -2.594 668 H LYS 87 H LYS 87 7.868 -16.708 0.775 669 HA LYS 87 HA LYS 87 5.967 -18.791 1.651 670 HB2 LYS 87 HB2 LYS 87 8.374 -17.473 2.945 671 HB3 LYS 87 HB3 LYS 87 7.098 -18.091 3.985 672 HG2 LYS 87 HG2 LYS 87 8.901 -19.713 3.750 673 HG3 LYS 87 HG3 LYS 87 7.400 -20.348 3.071 674 HD2 LYS 87 HD2 LYS 87 8.224 -19.778 0.790 675 HD3 LYS 87 HD3 LYS 87 9.732 -19.182 1.490 676 HE2 LYS 87 HE2 LYS 87 10.254 -21.434 2.313 677 HE3 LYS 87 HE3 LYS 87 8.701 -22.027 1.721 678 HZ1 LYS 87 HZ1 LYS 87 9.405 -21.565 -0.534 679 HZ2 LYS 87 HZ2 LYS 87 10.526 -22.573 0.232 680 HZ3 LYS 87 HZ3 LYS 87 10.876 -20.939 0.018 681 H GLY 88 H GLY 88 4.022 -18.194 2.430 682 HA2 GLY 88 HA2 GLY 88 3.259 -15.385 2.654 683 HA3 GLY 88 HA3 GLY 88 2.217 -16.790 2.817 684 H LYS 89 H LYS 89 5.202 -16.303 4.628 685 HA LYS 89 HA LYS 89 3.914 -16.600 7.186 686 HB2 LYS 89 HB2 LYS 89 6.148 -17.575 6.821 687 HB3 LYS 89 HB3 LYS 89 6.800 -15.997 6.392 688 HG2 LYS 89 HG2 LYS 89 6.391 -15.198 8.714 689 HG3 LYS 89 HG3 LYS 89 5.781 -16.796 9.154 690 HD2 LYS 89 HD2 LYS 89 8.603 -16.139 8.219 691 HD3 LYS 89 HD3 LYS 89 8.114 -16.485 9.879 692 HE2 LYS 89 HE2 LYS 89 8.022 -18.431 7.544 693 HE3 LYS 89 HE3 LYS 89 9.184 -18.433 8.869 694 HZ1 LYS 89 HZ1 LYS 89 7.361 -18.878 10.405 695 HZ2 LYS 89 HZ2 LYS 89 7.470 -20.079 9.223 696 HZ3 LYS 89 HZ3 LYS 89 6.262 -18.902 9.124 697 H ILE 90 H ILE 90 2.777 -14.910 7.900 698 HA ILE 90 HA ILE 90 3.403 -12.145 7.462 699 HB ILE 90 HB ILE 90 1.668 -11.773 9.349 700 HG12 ILE 90 HG12 ILE 90 1.279 -14.792 9.025 701 HG13 ILE 90 HG13 ILE 90 1.918 -14.004 10.460 702 HG21 ILE 90 HG21 ILE 90 0.787 -13.326 6.885 703 HG22 ILE 90 HG22 ILE 90 1.089 -11.588 6.964 704 HG23 ILE 90 HG23 ILE 90 -0.248 -12.292 7.875 705 HD11 ILE 90 HD11 ILE 90 -0.881 -13.756 9.371 706 HD12 ILE 90 HD12 ILE 90 -0.258 -12.879 10.772 707 HD13 ILE 90 HD13 ILE 90 -0.367 -14.639 10.806 708 H PHE 91 H PHE 91 5.552 -11.928 8.045 709 HA PHE 91 HA PHE 91 6.576 -12.485 10.637 710 HB2 PHE 91 HB2 PHE 91 8.008 -12.106 8.554 711 HB3 PHE 91 HB3 PHE 91 7.679 -10.382 8.722 712 HD1 PHE 91 HD1 PHE 91 9.453 -13.281 10.183 713 HD2 PHE 91 HD2 PHE 91 8.692 -9.082 10.604 714 HE1 PHE 91 HE1 PHE 91 11.283 -13.096 11.816 715 HE2 PHE 91 HE2 PHE 91 10.536 -8.918 12.230 716 HZ PHE 91 HZ PHE 91 11.833 -10.921 12.833 717 H GLN 92 H GLN 92 5.815 -11.567 12.371 718 HA GLN 92 HA GLN 92 4.039 -9.423 12.518 719 HB2 GLN 92 HB2 GLN 92 5.729 -10.648 14.738 720 HB3 GLN 92 HB3 GLN 92 4.291 -9.657 14.976 721 HG2 GLN 92 HG2 GLN 92 2.883 -11.353 13.943 722 HG3 GLN 92 HG3 GLN 92 4.296 -12.321 13.518 723 HE21 GLN 92 HE21 GLN 92 2.177 -11.325 16.127 724 HE22 GLN 92 HE22 GLN 92 2.741 -12.486 17.276 725 H LYS 93 H LYS 93 4.276 -7.266 12.851 726 HA LYS 93 HA LYS 93 6.925 -6.134 12.441 727 HB2 LYS 93 HB2 LYS 93 4.145 -4.884 12.363 728 HB3 LYS 93 HB3 LYS 93 5.631 -3.967 12.105 729 HG2 LYS 93 HG2 LYS 93 4.739 -6.330 10.409 730 HG3 LYS 93 HG3 LYS 93 4.504 -4.629 9.987 731 HD2 LYS 93 HD2 LYS 93 6.939 -4.280 9.904 732 HD3 LYS 93 HD3 LYS 93 7.221 -5.942 10.432 733 HE2 LYS 93 HE2 LYS 93 5.845 -5.162 7.832 734 HE3 LYS 93 HE3 LYS 93 7.537 -5.642 7.988 735 HZ1 LYS 93 HZ1 LYS 93 5.215 -7.354 8.702 736 HZ2 LYS 93 HZ2 LYS 93 6.839 -7.812 8.759 737 HZ3 LYS 93 HZ3 LYS 93 6.109 -7.468 7.277 738 H GLU 94 H GLU 94 8.130 -5.406 14.004 739 HA GLU 94 HA GLU 94 6.967 -4.201 16.458 740 HB2 GLU 94 HB2 GLU 94 7.864 -6.473 16.962 741 HB3 GLU 94 HB3 GLU 94 9.423 -6.032 16.275 742 HG2 GLU 94 HG2 GLU 94 9.474 -5.998 18.745 743 HG3 GLU 94 HG3 GLU 94 9.795 -4.403 18.066 744 H GLY 95 H GLY 95 8.029 -2.354 17.206 745 HA2 GLY 95 HA2 GLY 95 10.258 -1.254 15.556 746 HA3 GLY 95 HA3 GLY 95 8.881 -0.284 16.065 747 H GLU 96 H GLU 96 10.165 1.176 17.219 748 HA GLU 96 HA GLU 96 11.831 0.245 19.425 749 HB2 GLU 96 HB2 GLU 96 12.333 2.668 19.801 750 HB3 GLU 96 HB3 GLU 96 12.817 2.080 18.219 751 HG2 GLU 96 HG2 GLU 96 10.190 3.534 18.542 752 HG3 GLU 96 HG3 GLU 96 11.681 4.459 18.520 753 H SER 97 H SER 97 10.064 -0.799 20.469 754 HA SER 97 HA SER 97 7.825 0.681 21.538 755 HB2 SER 97 HB2 SER 97 7.368 -1.555 22.716 756 HB3 SER 97 HB3 SER 97 7.438 -1.617 20.958 757 HG SER 97 HG SER 97 9.037 -2.944 21.087 758 H ILE 98 H ILE 98 11.054 0.081 22.606 759 HA ILE 98 HA ILE 98 10.726 0.422 25.408 760 HB ILE 98 HB ILE 98 13.151 0.964 25.493 761 HG12 ILE 98 HG12 ILE 98 13.144 0.859 22.435 762 HG13 ILE 98 HG13 ILE 98 13.232 2.346 23.367 763 HG21 ILE 98 HG21 ILE 98 14.010 -1.152 24.544 764 HG22 ILE 98 HG22 ILE 98 12.523 -1.340 23.609 765 HG23 ILE 98 HG23 ILE 98 12.470 -1.391 25.374 766 HD11 ILE 98 HD11 ILE 98 15.283 0.135 23.367 767 HD12 ILE 98 HD12 ILE 98 15.358 1.606 24.342 768 HD13 ILE 98 HD13 ILE 98 15.416 1.710 22.586 769 H LEU 99 H LEU 99 10.634 2.252 26.672 770 HA LEU 99 HA LEU 99 10.467 4.876 25.293 771 HB2 LEU 99 HB2 LEU 99 9.220 4.036 27.944 772 HB3 LEU 99 HB3 LEU 99 9.067 5.622 27.200 773 HG LEU 99 HG LEU 99 7.952 3.016 26.080 774 HD11 LEU 99 HD11 LEU 99 5.752 3.972 26.515 775 HD12 LEU 99 HD12 LEU 99 6.495 5.395 27.257 776 HD13 LEU 99 HD13 LEU 99 6.681 3.804 28.001 777 HD21 LEU 99 HD21 LEU 99 7.746 5.824 24.939 778 HD22 LEU 99 HD22 LEU 99 6.859 4.409 24.361 779 HD23 LEU 99 HD23 LEU 99 8.613 4.453 24.236 780 H GLU 100 H GLU 100 11.079 3.976 28.706 781 HA GLU 100 HA GLU 100 13.814 5.029 28.588 782 HB2 GLU 100 HB2 GLU 100 11.626 6.197 30.353 783 HB3 GLU 100 HB3 GLU 100 13.317 6.318 30.807 784 HG2 GLU 100 HG2 GLU 100 12.217 7.398 28.189 785 HG3 GLU 100 HG3 GLU 100 12.321 8.360 29.663 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -14.767 -8.100 6.924 2 H2 GLY 1 H2 GLY 1 -14.130 -8.841 5.548 3 H3 GLY 1 H3 GLY 1 -14.436 -7.179 5.545 4 HA2 GLY 1 HA2 GLY 1 -12.069 -7.628 5.786 5 HA3 GLY 1 HA3 GLY 1 -12.736 -6.798 7.183 6 H GLY 2 H GLY 2 -11.858 -10.015 5.939 7 HA2 GLY 2 HA2 GLY 2 -11.042 -10.869 8.657 8 HA3 GLY 2 HA3 GLY 2 -12.150 -11.873 7.726 9 H SER 3 H SER 3 -11.382 -13.021 5.924 10 HA SER 3 HA SER 3 -8.689 -13.879 5.856 11 HB2 SER 3 HB2 SER 3 -10.821 -14.071 3.666 12 HB3 SER 3 HB3 SER 3 -9.365 -15.060 3.779 13 HG SER 3 HG SER 3 -10.796 -15.162 6.074 14 HA PRO 4 HA PRO 4 -6.581 -10.425 4.059 15 HB2 PRO 4 HB2 PRO 4 -4.813 -11.752 2.246 16 HB3 PRO 4 HB3 PRO 4 -4.509 -11.390 3.955 17 HG2 PRO 4 HG2 PRO 4 -5.498 -13.929 2.717 18 HG3 PRO 4 HG3 PRO 4 -4.380 -13.696 4.080 19 HD2 PRO 4 HD2 PRO 4 -6.903 -14.430 4.542 20 HD3 PRO 4 HD3 PRO 4 -6.118 -13.238 5.606 21 H ASP 5 H ASP 5 -7.587 -12.782 1.565 22 HA ASP 5 HA ASP 5 -7.592 -11.097 -0.689 23 HB2 ASP 5 HB2 ASP 5 -7.756 -13.600 -0.748 24 HB3 ASP 5 HB3 ASP 5 -9.398 -13.496 -0.130 25 H GLU 6 H GLU 6 -10.162 -11.906 1.584 26 HA GLU 6 HA GLU 6 -12.214 -10.312 0.337 27 HB2 GLU 6 HB2 GLU 6 -12.631 -12.478 1.497 28 HB3 GLU 6 HB3 GLU 6 -12.086 -11.788 3.015 29 HG2 GLU 6 HG2 GLU 6 -14.481 -10.655 1.553 30 HG3 GLU 6 HG3 GLU 6 -14.637 -12.075 2.577 31 H ASN 7 H ASN 7 -9.830 -9.875 2.857 32 HA ASN 7 HA ASN 7 -11.083 -7.791 4.353 33 HB2 ASN 7 HB2 ASN 7 -9.363 -9.358 5.284 34 HB3 ASN 7 HB3 ASN 7 -8.135 -8.607 4.267 35 HD21 ASN 7 HD21 ASN 7 -6.918 -8.043 6.106 36 HD22 ASN 7 HD22 ASN 7 -7.378 -6.751 7.154 37 H ILE 8 H ILE 8 -9.014 -7.896 1.568 38 HA ILE 8 HA ILE 8 -8.093 -5.314 1.233 39 HB ILE 8 HB ILE 8 -9.132 -7.313 -0.818 40 HG12 ILE 8 HG12 ILE 8 -6.259 -6.567 -0.118 41 HG13 ILE 8 HG13 ILE 8 -7.121 -7.930 0.580 42 HG21 ILE 8 HG21 ILE 8 -7.609 -4.750 -1.406 43 HG22 ILE 8 HG22 ILE 8 -9.263 -5.122 -1.888 44 HG23 ILE 8 HG23 ILE 8 -7.922 -6.032 -2.577 45 HD11 ILE 8 HD11 ILE 8 -6.469 -7.576 -2.336 46 HD12 ILE 8 HD12 ILE 8 -7.328 -8.945 -1.622 47 HD13 ILE 8 HD13 ILE 8 -5.647 -8.636 -1.193 48 H ALA 9 H ALA 9 -11.345 -6.597 0.526 49 HA ALA 9 HA ALA 9 -12.454 -4.476 -0.897 50 HB1 ALA 9 HB1 ALA 9 -13.511 -6.690 -0.679 51 HB2 ALA 9 HB2 ALA 9 -14.644 -5.400 -0.265 52 HB3 ALA 9 HB3 ALA 9 -13.884 -6.351 1.013 53 H LYS 10 H LYS 10 -12.165 -4.871 2.616 54 HA LYS 10 HA LYS 10 -13.609 -2.580 3.461 55 HB2 LYS 10 HB2 LYS 10 -13.130 -4.263 5.098 56 HB3 LYS 10 HB3 LYS 10 -11.412 -4.257 4.726 57 HG2 LYS 10 HG2 LYS 10 -11.150 -2.063 5.772 58 HG3 LYS 10 HG3 LYS 10 -12.888 -1.968 6.073 59 HD2 LYS 10 HD2 LYS 10 -12.777 -3.808 7.655 60 HD3 LYS 10 HD3 LYS 10 -11.092 -4.137 7.233 61 HE2 LYS 10 HE2 LYS 10 -11.293 -2.947 9.392 62 HE3 LYS 10 HE3 LYS 10 -10.404 -1.998 8.204 63 HZ1 LYS 10 HZ1 LYS 10 -11.985 -0.659 9.456 64 HZ2 LYS 10 HZ2 LYS 10 -13.266 -1.613 8.909 65 HZ3 LYS 10 HZ3 LYS 10 -12.384 -0.682 7.813 66 H PHE 11 H PHE 11 -10.169 -3.127 2.725 67 HA PHE 11 HA PHE 11 -9.288 -0.481 3.355 68 HB2 PHE 11 HB2 PHE 11 -7.915 -2.648 1.724 69 HB3 PHE 11 HB3 PHE 11 -7.137 -1.181 2.310 70 HD1 PHE 11 HD2 PHE 11 -7.997 -0.967 5.099 71 HD2 PHE 11 HD1 PHE 11 -6.950 -4.466 2.856 72 HE1 PHE 11 HE2 PHE 11 -7.356 -2.121 7.175 73 HE2 PHE 11 HE1 PHE 11 -6.311 -5.604 4.942 74 HZ PHE 11 HZ PHE 11 -6.513 -4.434 7.099 75 H GLU 12 H GLU 12 -10.578 -1.947 0.457 76 HA GLU 12 HA GLU 12 -9.791 -0.002 -1.462 77 HB2 GLU 12 HB2 GLU 12 -12.176 -1.894 -1.369 78 HB3 GLU 12 HB3 GLU 12 -11.808 -0.877 -2.757 79 HG2 GLU 12 HG2 GLU 12 -9.943 -2.988 -1.647 80 HG3 GLU 12 HG3 GLU 12 -11.073 -3.260 -2.970 81 H LYS 13 H LYS 13 -12.563 -0.336 0.718 82 HA LYS 13 HA LYS 13 -13.908 2.060 -0.155 83 HB2 LYS 13 HB2 LYS 13 -14.325 0.337 2.328 84 HB3 LYS 13 HB3 LYS 13 -15.386 1.653 1.824 85 HG2 LYS 13 HG2 LYS 13 -15.779 0.393 -0.339 86 HG3 LYS 13 HG3 LYS 13 -14.874 -0.951 0.354 87 HD2 LYS 13 HD2 LYS 13 -17.180 -1.473 0.662 88 HD3 LYS 13 HD3 LYS 13 -16.577 -0.993 2.246 89 HE2 LYS 13 HE2 LYS 13 -18.126 0.835 0.375 90 HE3 LYS 13 HE3 LYS 13 -18.849 -0.097 1.679 91 HZ1 LYS 13 HZ1 LYS 13 -18.504 2.115 2.421 92 HZ2 LYS 13 HZ2 LYS 13 -16.882 2.104 1.955 93 HZ3 LYS 13 HZ3 LYS 13 -17.397 1.128 3.236 94 H ALA 14 H ALA 14 -11.644 1.196 2.417 95 HA ALA 14 HA ALA 14 -11.611 3.663 3.826 96 HB1 ALA 14 HB1 ALA 14 -9.391 1.608 3.513 97 HB2 ALA 14 HB2 ALA 14 -10.645 1.581 4.753 98 HB3 ALA 14 HB3 ALA 14 -9.452 2.881 4.735 99 H TYR 15 H TYR 15 -9.961 2.443 0.961 100 HA TYR 15 HA TYR 15 -8.209 4.611 0.475 101 HB2 TYR 15 HB2 TYR 15 -7.945 2.397 -0.662 102 HB3 TYR 15 HB3 TYR 15 -9.441 2.671 -1.548 103 HD1 TYR 15 HD2 TYR 15 -5.910 3.709 -1.209 104 HD2 TYR 15 HD1 TYR 15 -9.482 4.248 -3.480 105 HE1 TYR 15 HE2 TYR 15 -4.648 4.898 -2.905 106 HE2 TYR 15 HE1 TYR 15 -8.203 5.460 -5.190 107 HH TYR 15 HH TYR 15 -6.003 6.826 -5.208 108 H LYS 16 H LYS 16 -11.515 3.857 -0.589 109 HA LYS 16 HA LYS 16 -11.727 6.149 -2.289 110 HB2 LYS 16 HB2 LYS 16 -13.716 4.037 -1.421 111 HB3 LYS 16 HB3 LYS 16 -14.226 5.448 -2.351 112 HG2 LYS 16 HG2 LYS 16 -12.539 4.843 -4.105 113 HG3 LYS 16 HG3 LYS 16 -12.199 3.358 -3.211 114 HD2 LYS 16 HD2 LYS 16 -14.409 2.511 -3.602 115 HD3 LYS 16 HD3 LYS 16 -14.991 4.076 -4.176 116 HE2 LYS 16 HE2 LYS 16 -12.904 2.380 -5.599 117 HE3 LYS 16 HE3 LYS 16 -14.616 2.453 -6.030 118 HZ1 LYS 16 HZ1 LYS 16 -13.285 3.920 -7.418 119 HZ2 LYS 16 HZ2 LYS 16 -12.723 4.756 -6.059 120 HZ3 LYS 16 HZ3 LYS 16 -14.363 4.823 -6.476 121 H LYS 17 H LYS 17 -12.444 5.598 1.083 122 HA LYS 17 HA LYS 17 -13.981 8.013 1.409 123 HB2 LYS 17 HB2 LYS 17 -13.789 5.881 3.023 124 HB3 LYS 17 HB3 LYS 17 -12.449 6.776 3.725 125 HG2 LYS 17 HG2 LYS 17 -15.269 7.881 3.456 126 HG3 LYS 17 HG3 LYS 17 -14.677 7.062 4.898 127 HD2 LYS 17 HD2 LYS 17 -13.072 8.824 5.314 128 HD3 LYS 17 HD3 LYS 17 -13.413 9.577 3.757 129 HE2 LYS 17 HE2 LYS 17 -15.344 9.358 6.086 130 HE3 LYS 17 HE3 LYS 17 -14.497 10.815 5.568 131 HZ1 LYS 17 HZ1 LYS 17 -15.692 10.672 3.436 132 HZ2 LYS 17 HZ2 LYS 17 -16.744 10.822 4.747 133 HZ3 LYS 17 HZ3 LYS 17 -16.541 9.323 4.003 134 H ALA 18 H ALA 18 -10.608 7.062 1.601 135 HA ALA 18 HA ALA 18 -9.472 9.561 2.368 136 HB1 ALA 18 HB1 ALA 18 -8.302 7.249 0.797 137 HB2 ALA 18 HB2 ALA 18 -8.330 7.397 2.554 138 HB3 ALA 18 HB3 ALA 18 -7.390 8.536 1.590 139 H GLU 19 H GLU 19 -10.432 8.112 -0.698 140 HA GLU 19 HA GLU 19 -9.000 9.857 -2.495 141 HB2 GLU 19 HB2 GLU 19 -9.345 7.547 -3.133 142 HB3 GLU 19 HB3 GLU 19 -11.081 7.668 -2.881 143 HG2 GLU 19 HG2 GLU 19 -11.227 9.215 -4.827 144 HG3 GLU 19 HG3 GLU 19 -9.497 8.998 -5.098 145 H GLU 20 H GLU 20 -12.388 9.534 -1.396 146 HA GLU 20 HA GLU 20 -13.567 11.432 -3.140 147 HB2 GLU 20 HB2 GLU 20 -15.460 11.511 -1.534 148 HB3 GLU 20 HB3 GLU 20 -14.956 9.852 -1.841 149 HG2 GLU 20 HG2 GLU 20 -13.846 9.704 0.274 150 HG3 GLU 20 HG3 GLU 20 -14.021 11.427 0.567 151 H LEU 21 H LEU 21 -11.843 11.726 -0.115 152 HA LEU 21 HA LEU 21 -12.313 14.598 0.180 153 HB2 LEU 21 HB2 LEU 21 -10.566 12.690 1.784 154 HB3 LEU 21 HB3 LEU 21 -11.010 14.326 2.255 155 HG LEU 21 HG LEU 21 -12.956 12.002 1.986 156 HD11 LEU 21 HD11 LEU 21 -11.423 11.638 3.851 157 HD12 LEU 21 HD12 LEU 21 -13.052 11.976 4.428 158 HD13 LEU 21 HD13 LEU 21 -11.807 13.234 4.508 159 HD21 LEU 21 HD21 LEU 21 -14.557 13.490 3.122 160 HD22 LEU 21 HD22 LEU 21 -14.058 14.116 1.555 161 HD23 LEU 21 HD23 LEU 21 -13.388 14.813 3.034 162 H ASN 22 H ASN 22 -10.049 12.442 -1.258 163 HA ASN 22 HA ASN 22 -8.082 12.611 -2.351 164 HB2 ASN 22 HB2 ASN 22 -8.838 15.558 -2.490 165 HB3 ASN 22 HB3 ASN 22 -7.521 14.835 -3.407 166 HD21 ASN 22 HD21 ASN 22 -8.005 13.479 -5.168 167 HD22 ASN 22 HD22 ASN 22 -9.595 13.390 -5.842 168 H GLN 23 H GLN 23 -8.030 12.747 0.540 169 HA GLN 23 HA GLN 23 -6.468 14.790 1.645 170 HB2 GLN 23 HB2 GLN 23 -6.677 11.910 2.613 171 HB3 GLN 23 HB3 GLN 23 -6.088 13.263 3.570 172 HG2 GLN 23 HG2 GLN 23 -8.892 13.121 2.458 173 HG3 GLN 23 HG3 GLN 23 -8.451 12.494 4.039 174 HE21 GLN 23 HE21 GLN 23 -9.914 13.903 5.033 175 HE22 GLN 23 HE22 GLN 23 -9.602 15.594 5.202 176 H GLY 24 H GLY 24 -5.306 11.461 1.267 177 HA2 GLY 24 HA2 GLY 24 -3.181 11.426 -0.244 178 HA3 GLY 24 HA3 GLY 24 -2.533 12.406 1.067 179 H GLU 25 H GLU 25 -2.311 11.451 3.170 180 HA GLU 25 HA GLU 25 -0.871 9.098 2.955 181 HB2 GLU 25 HB2 GLU 25 -0.574 9.180 5.388 182 HB3 GLU 25 HB3 GLU 25 -0.382 10.771 4.664 183 HG2 GLU 25 HG2 GLU 25 -2.432 11.554 5.536 184 HG3 GLU 25 HG3 GLU 25 -3.007 9.928 5.908 185 H LEU 26 H LEU 26 -4.178 9.539 3.959 186 HA LEU 26 HA LEU 26 -4.778 7.029 5.039 187 HB2 LEU 26 HB2 LEU 26 -6.478 8.947 3.425 188 HB3 LEU 26 HB3 LEU 26 -7.128 7.575 4.304 189 HG LEU 26 HG LEU 26 -5.628 9.825 5.696 190 HD11 LEU 26 HD11 LEU 26 -7.809 10.793 6.259 191 HD12 LEU 26 HD12 LEU 26 -8.620 9.591 5.253 192 HD13 LEU 26 HD13 LEU 26 -7.553 10.787 4.516 193 HD21 LEU 26 HD21 LEU 26 -5.824 7.720 6.955 194 HD22 LEU 26 HD22 LEU 26 -7.574 7.733 6.713 195 HD23 LEU 26 HD23 LEU 26 -6.805 8.989 7.689 196 H MET 27 H MET 27 -4.991 8.187 1.629 197 HA MET 27 HA MET 27 -5.737 5.755 0.415 198 HB2 MET 27 HB2 MET 27 -4.137 8.081 -0.734 199 HB3 MET 27 HB3 MET 27 -4.656 6.708 -1.697 200 HG2 MET 27 HG2 MET 27 -7.047 7.331 -0.927 201 HG3 MET 27 HG3 MET 27 -6.343 8.876 -0.465 202 HE1 MET 27 HE1 MET 27 -4.066 8.925 -2.884 203 HE2 MET 27 HE2 MET 27 -4.920 10.379 -2.351 204 HE3 MET 27 HE3 MET 27 -4.897 9.942 -4.061 205 H GLY 28 H GLY 28 -2.532 7.137 1.127 206 HA2 GLY 28 HA2 GLY 28 -0.890 5.137 0.033 207 HA3 GLY 28 HA3 GLY 28 -0.460 6.210 1.355 208 H ARG 29 H ARG 29 -2.443 5.349 3.213 209 HA ARG 29 HA ARG 29 -1.181 3.100 4.429 210 HB2 ARG 29 HB2 ARG 29 -3.791 4.546 5.080 211 HB3 ARG 29 HB3 ARG 29 -3.150 3.231 6.065 212 HG2 ARG 29 HG2 ARG 29 -1.181 4.568 6.629 213 HG3 ARG 29 HG3 ARG 29 -1.732 5.873 5.574 214 HD2 ARG 29 HD2 ARG 29 -3.761 6.133 6.984 215 HD3 ARG 29 HD3 ARG 29 -3.169 4.858 8.057 216 HE ARG 29 HE ARG 29 -1.884 7.502 7.660 217 HH11 ARG 29 HH11 ARG 29 -2.504 4.711 9.739 218 HH12 ARG 29 HH12 ARG 29 -1.704 5.419 11.102 219 HH21 ARG 29 HH21 ARG 29 -0.908 8.411 9.472 220 HH22 ARG 29 HH22 ARG 29 -0.801 7.510 10.954 221 H ALA 30 H ALA 30 -4.216 3.616 2.694 222 HA ALA 30 HA ALA 30 -5.432 1.106 3.073 223 HB1 ALA 30 HB1 ALA 30 -6.882 1.750 1.200 224 HB2 ALA 30 HB2 ALA 30 -5.773 3.058 0.763 225 HB3 ALA 30 HB3 ALA 30 -6.647 3.109 2.301 226 H LEU 31 H LEU 31 -3.571 2.395 0.323 227 HA LEU 31 HA LEU 31 -3.368 0.148 -1.299 228 HB2 LEU 31 HB2 LEU 31 -1.403 2.430 -0.843 229 HB3 LEU 31 HB3 LEU 31 -1.238 1.266 -2.150 230 HG LEU 31 HG LEU 31 -3.703 3.015 -1.854 231 HD11 LEU 31 HD11 LEU 31 -2.748 4.543 -3.519 232 HD12 LEU 31 HD12 LEU 31 -1.219 3.663 -3.460 233 HD13 LEU 31 HD13 LEU 31 -1.801 4.520 -2.032 234 HD21 LEU 31 HD21 LEU 31 -3.973 1.031 -3.270 235 HD22 LEU 31 HD22 LEU 31 -2.578 1.515 -4.242 236 HD23 LEU 31 HD23 LEU 31 -4.038 2.510 -4.228 237 H TYR 32 H TYR 32 -1.200 1.256 1.308 238 HA TYR 32 HA TYR 32 0.805 -0.688 1.075 239 HB2 TYR 32 HB2 TYR 32 1.019 1.432 2.381 240 HB3 TYR 32 HB3 TYR 32 -0.087 0.793 3.591 241 HD1 TYR 32 HD2 TYR 32 3.197 0.077 1.942 242 HD2 TYR 32 HD1 TYR 32 0.824 -0.418 5.457 243 HE1 TYR 32 HE2 TYR 32 5.115 -0.916 3.100 244 HE2 TYR 32 HE1 TYR 32 2.758 -1.409 6.611 245 HH TYR 32 HH TYR 32 5.929 -1.246 5.368 246 H ASN 33 H ASN 33 -2.139 -0.651 3.091 247 HA ASN 33 HA ASN 33 -1.672 -3.098 4.461 248 HB2 ASN 33 HB2 ASN 33 -4.183 -1.427 4.059 249 HB3 ASN 33 HB3 ASN 33 -4.190 -2.917 5.001 250 HD21 ASN 33 HD21 ASN 33 -4.769 -1.795 6.868 251 HD22 ASN 33 HD22 ASN 33 -3.668 -0.781 7.727 252 H ILE 34 H ILE 34 -3.546 -2.304 1.525 253 HA ILE 34 HA ILE 34 -4.610 -4.873 0.985 254 HB ILE 34 HB ILE 34 -3.839 -2.653 -0.973 255 HG12 ILE 34 HG12 ILE 34 -6.629 -3.369 0.028 256 HG13 ILE 34 HG13 ILE 34 -5.626 -2.139 0.786 257 HG21 ILE 34 HG21 ILE 34 -3.967 -4.767 -2.192 258 HG22 ILE 34 HG22 ILE 34 -5.362 -3.769 -2.599 259 HG23 ILE 34 HG23 ILE 34 -5.544 -5.121 -1.479 260 HD11 ILE 34 HD11 ILE 34 -5.624 -0.853 -1.289 261 HD12 ILE 34 HD12 ILE 34 -7.256 -1.150 -0.694 262 HD13 ILE 34 HD13 ILE 34 -6.635 -2.083 -2.056 263 H GLY 35 H GLY 35 -1.556 -3.307 0.122 264 HA2 GLY 35 HA2 GLY 35 -0.429 -5.265 -1.546 265 HA3 GLY 35 HA3 GLY 35 0.453 -4.055 -0.627 266 H LEU 36 H LEU 36 -0.334 -4.798 1.970 267 HA LEU 36 HA LEU 36 1.392 -6.922 2.629 268 HB2 LEU 36 HB2 LEU 36 -0.872 -5.675 4.248 269 HB3 LEU 36 HB3 LEU 36 0.287 -6.822 4.910 270 HG LEU 36 HG LEU 36 0.978 -4.067 3.808 271 HD11 LEU 36 HD11 LEU 36 0.868 -4.999 6.687 272 HD12 LEU 36 HD12 LEU 36 -0.262 -3.896 5.896 273 HD13 LEU 36 HD13 LEU 36 1.417 -3.416 6.120 274 HD21 LEU 36 HD21 LEU 36 2.828 -5.630 3.481 275 HD22 LEU 36 HD22 LEU 36 2.773 -6.092 5.185 276 HD23 LEU 36 HD23 LEU 36 3.226 -4.447 4.724 277 H GLU 37 H GLU 37 -2.178 -6.794 2.280 278 HA GLU 37 HA GLU 37 -2.781 -9.443 3.001 279 HB2 GLU 37 HB2 GLU 37 -4.294 -7.826 0.902 280 HB3 GLU 37 HB3 GLU 37 -4.915 -9.171 1.851 281 HG2 GLU 37 HG2 GLU 37 -4.323 -6.351 2.743 282 HG3 GLU 37 HG3 GLU 37 -5.864 -7.199 2.756 283 H LYS 38 H LYS 38 -1.897 -8.040 -0.152 284 HA LYS 38 HA LYS 38 -2.214 -10.332 -1.777 285 HB2 LYS 38 HB2 LYS 38 -0.221 -8.050 -2.123 286 HB3 LYS 38 HB3 LYS 38 -0.688 -9.188 -3.378 287 HG2 LYS 38 HG2 LYS 38 -2.527 -7.169 -2.072 288 HG3 LYS 38 HG3 LYS 38 -1.713 -6.946 -3.619 289 HD2 LYS 38 HD2 LYS 38 -2.980 -8.896 -4.534 290 HD3 LYS 38 HD3 LYS 38 -3.819 -9.059 -2.984 291 HE2 LYS 38 HE2 LYS 38 -4.724 -6.759 -3.260 292 HE3 LYS 38 HE3 LYS 38 -3.919 -6.644 -4.825 293 HZ1 LYS 38 HZ1 LYS 38 -5.917 -8.729 -4.199 294 HZ2 LYS 38 HZ2 LYS 38 -5.321 -8.284 -5.717 295 HZ3 LYS 38 HZ3 LYS 38 -6.332 -7.235 -4.866 296 H ASN 39 H ASN 39 0.607 -9.017 -0.059 297 HA ASN 39 HA ASN 39 2.571 -10.852 -0.903 298 HB2 ASN 39 HB2 ASN 39 3.013 -8.607 0.123 299 HB3 ASN 39 HB3 ASN 39 2.461 -9.216 1.675 300 HD21 ASN 39 HD21 ASN 39 4.459 -8.695 2.621 301 HD22 ASN 39 HD22 ASN 39 5.881 -9.632 2.342 302 H LYS 40 H LYS 40 0.282 -10.949 1.787 303 HA LYS 40 HA LYS 40 1.235 -13.269 3.142 304 HB2 LYS 40 HB2 LYS 40 -1.584 -12.097 3.003 305 HB3 LYS 40 HB3 LYS 40 -1.064 -13.321 4.160 306 HG2 LYS 40 HG2 LYS 40 0.397 -11.781 5.272 307 HG3 LYS 40 HG3 LYS 40 0.225 -10.587 3.987 308 HD2 LYS 40 HD2 LYS 40 -2.233 -10.395 4.600 309 HD3 LYS 40 HD3 LYS 40 -1.908 -11.437 5.990 310 HE2 LYS 40 HE2 LYS 40 -0.299 -9.772 6.854 311 HE3 LYS 40 HE3 LYS 40 -0.613 -8.741 5.455 312 HZ1 LYS 40 HZ1 LYS 40 -2.909 -8.529 6.170 313 HZ2 LYS 40 HZ2 LYS 40 -1.857 -8.014 7.388 314 HZ3 LYS 40 HZ3 LYS 40 -2.616 -9.522 7.506 315 H MET 41 H MET 41 -1.053 -12.752 0.501 316 HA MET 41 HA MET 41 -1.865 -15.521 0.261 317 HB2 MET 41 HB2 MET 41 -2.404 -13.059 -1.443 318 HB3 MET 41 HB3 MET 41 -3.038 -14.650 -1.839 319 HG2 MET 41 HG2 MET 41 -4.247 -14.685 0.317 320 HG3 MET 41 HG3 MET 41 -3.656 -13.061 0.664 321 HE1 MET 41 HE1 MET 41 -3.860 -11.422 -1.953 322 HE2 MET 41 HE2 MET 41 -4.598 -10.866 -0.449 323 HE3 MET 41 HE3 MET 41 -5.533 -10.869 -1.944 324 H GLY 42 H GLY 42 0.930 -13.941 -0.649 325 HA2 GLY 42 HA2 GLY 42 2.729 -14.697 -1.889 326 HA3 GLY 42 HA3 GLY 42 1.758 -16.037 -2.482 327 H LYS 43 H LYS 43 0.198 -13.076 -2.833 328 HA LYS 43 HA LYS 43 0.688 -12.871 -5.708 329 HB2 LYS 43 HB2 LYS 43 -1.193 -11.273 -3.905 330 HB3 LYS 43 HB3 LYS 43 -1.195 -11.278 -5.667 331 HG2 LYS 43 HG2 LYS 43 -1.916 -13.635 -5.673 332 HG3 LYS 43 HG3 LYS 43 -1.871 -13.655 -3.902 333 HD2 LYS 43 HD2 LYS 43 -3.603 -11.840 -3.881 334 HD3 LYS 43 HD3 LYS 43 -3.687 -11.934 -5.641 335 HE2 LYS 43 HE2 LYS 43 -4.478 -14.262 -5.482 336 HE3 LYS 43 HE3 LYS 43 -4.354 -14.190 -3.722 337 HZ1 LYS 43 HZ1 LYS 43 -6.053 -12.532 -3.659 338 HZ2 LYS 43 HZ2 LYS 43 -6.623 -13.835 -4.565 339 HZ3 LYS 43 HZ3 LYS 43 -6.106 -12.428 -5.345 340 H VAL 44 H VAL 44 3.007 -12.308 -4.765 341 HA VAL 44 HA VAL 44 3.400 -9.847 -3.384 342 HB VAL 44 HB VAL 44 5.504 -11.541 -4.800 343 HG11 VAL 44 HG11 VAL 44 7.098 -10.571 -3.172 344 HG12 VAL 44 HG12 VAL 44 5.810 -9.556 -2.515 345 HG13 VAL 44 HG13 VAL 44 6.357 -9.323 -4.176 346 HG21 VAL 44 HG21 VAL 44 4.500 -11.781 -1.935 347 HG22 VAL 44 HG22 VAL 44 5.852 -12.681 -2.628 348 HG23 VAL 44 HG23 VAL 44 4.216 -12.940 -3.237 349 H LYS 45 H LYS 45 3.330 -10.684 -6.796 350 HA LYS 45 HA LYS 45 4.650 -8.442 -7.918 351 HB2 LYS 45 HB2 LYS 45 2.327 -10.044 -9.086 352 HB3 LYS 45 HB3 LYS 45 3.370 -8.954 -9.997 353 HG2 LYS 45 HG2 LYS 45 4.212 -11.531 -8.637 354 HG3 LYS 45 HG3 LYS 45 3.998 -11.280 -10.374 355 HD2 LYS 45 HD2 LYS 45 5.843 -9.578 -10.305 356 HD3 LYS 45 HD3 LYS 45 6.076 -9.950 -8.592 357 HE2 LYS 45 HE2 LYS 45 6.383 -11.942 -10.870 358 HE3 LYS 45 HE3 LYS 45 7.710 -11.121 -10.052 359 HZ1 LYS 45 HZ1 LYS 45 7.404 -13.338 -9.172 360 HZ2 LYS 45 HZ2 LYS 45 5.793 -13.006 -8.784 361 HZ3 LYS 45 HZ3 LYS 45 7.038 -12.194 -7.982 362 H GLU 46 H GLU 46 1.232 -9.009 -7.169 363 HA GLU 46 HA GLU 46 0.242 -6.434 -7.876 364 HB2 GLU 46 HB2 GLU 46 -0.891 -8.568 -6.010 365 HB3 GLU 46 HB3 GLU 46 -1.753 -7.094 -6.425 366 HG2 GLU 46 HG2 GLU 46 -2.599 -8.931 -7.752 367 HG3 GLU 46 HG3 GLU 46 -1.782 -7.776 -8.801 368 H ALA 47 H ALA 47 1.443 -7.878 -4.875 369 HA ALA 47 HA ALA 47 0.878 -5.924 -2.991 370 HB1 ALA 47 HB1 ALA 47 2.733 -6.856 -1.677 371 HB2 ALA 47 HB2 ALA 47 3.352 -7.681 -3.111 372 HB3 ALA 47 HB3 ALA 47 1.793 -8.147 -2.430 373 H ILE 48 H ILE 48 3.732 -6.235 -5.087 374 HA ILE 48 HA ILE 48 5.264 -4.055 -4.318 375 HB ILE 48 HB ILE 48 4.914 -5.372 -7.047 376 HG12 ILE 48 HG12 ILE 48 7.202 -5.551 -5.036 377 HG13 ILE 48 HG13 ILE 48 5.934 -6.753 -5.229 378 HG21 ILE 48 HG21 ILE 48 5.695 -3.091 -7.496 379 HG22 ILE 48 HG22 ILE 48 6.980 -4.251 -7.825 380 HG23 ILE 48 HG23 ILE 48 7.017 -3.292 -6.343 381 HD11 ILE 48 HD11 ILE 48 7.968 -5.995 -7.321 382 HD12 ILE 48 HD12 ILE 48 6.705 -7.218 -7.494 383 HD13 ILE 48 HD13 ILE 48 7.990 -7.435 -6.307 384 H GLU 49 H GLU 49 2.760 -4.210 -6.854 385 HA GLU 49 HA GLU 49 2.867 -1.613 -7.823 386 HB2 GLU 49 HB2 GLU 49 0.582 -3.610 -7.668 387 HB3 GLU 49 HB3 GLU 49 0.415 -2.070 -8.506 388 HG2 GLU 49 HG2 GLU 49 2.626 -4.011 -9.219 389 HG3 GLU 49 HG3 GLU 49 1.005 -4.179 -9.885 390 H TYR 50 H TYR 50 1.029 -2.868 -5.057 391 HA TYR 50 HA TYR 50 -0.377 -0.429 -4.504 392 HB2 TYR 50 HB2 TYR 50 0.054 -2.980 -2.918 393 HB3 TYR 50 HB3 TYR 50 -0.832 -1.609 -2.265 394 HD1 TYR 50 HD2 TYR 50 -2.897 -0.778 -3.525 395 HD2 TYR 50 HD1 TYR 50 -1.052 -4.524 -4.372 396 HE1 TYR 50 HE2 TYR 50 -4.936 -1.519 -4.682 397 HE2 TYR 50 HE1 TYR 50 -3.070 -5.268 -5.532 398 HH TYR 50 HH TYR 50 -5.602 -3.157 -6.384 399 H PHE 51 H PHE 51 2.601 -1.920 -3.223 400 HA PHE 51 HA PHE 51 3.079 0.038 -1.189 401 HB2 PHE 51 HB2 PHE 51 5.070 -1.793 -2.574 402 HB3 PHE 51 HB3 PHE 51 5.394 -0.872 -1.114 403 HD1 PHE 51 HD1 PHE 51 2.800 -1.479 0.393 404 HD2 PHE 51 HD2 PHE 51 5.482 -3.984 -1.820 405 HE1 PHE 51 HE1 PHE 51 2.170 -3.410 1.782 406 HE2 PHE 51 HE2 PHE 51 4.829 -5.905 -0.434 407 HZ PHE 51 HZ PHE 51 3.177 -5.619 1.366 408 H LEU 52 H LEU 52 3.751 -0.122 -4.618 409 HA LEU 52 HA LEU 52 5.774 1.903 -4.797 410 HB2 LEU 52 HB2 LEU 52 3.804 0.858 -6.881 411 HB3 LEU 52 HB3 LEU 52 5.067 2.022 -7.251 412 HG LEU 52 HG LEU 52 5.501 -0.847 -6.340 413 HD11 LEU 52 HD11 LEU 52 6.354 -1.249 -8.591 414 HD12 LEU 52 HD12 LEU 52 5.986 0.416 -9.052 415 HD13 LEU 52 HD13 LEU 52 4.679 -0.700 -8.645 416 HD21 LEU 52 HD21 LEU 52 7.879 -0.464 -6.759 417 HD22 LEU 52 HD22 LEU 52 7.277 0.593 -5.486 418 HD23 LEU 52 HD23 LEU 52 7.559 1.239 -7.105 419 H ARG 53 H ARG 53 2.295 1.817 -5.315 420 HA ARG 53 HA ARG 53 1.907 4.594 -5.777 421 HB2 ARG 53 HB2 ARG 53 -0.012 2.332 -5.064 422 HB3 ARG 53 HB3 ARG 53 -0.549 3.969 -5.431 423 HG2 ARG 53 HG2 ARG 53 0.278 3.830 -7.687 424 HG3 ARG 53 HG3 ARG 53 1.100 2.304 -7.356 425 HD2 ARG 53 HD2 ARG 53 -1.026 1.145 -7.140 426 HD3 ARG 53 HD3 ARG 53 -1.914 2.666 -7.263 427 HE ARG 53 HE ARG 53 -1.699 2.601 -9.534 428 HH11 ARG 53 HH11 ARG 53 0.551 0.221 -8.225 429 HH12 ARG 53 HH12 ARG 53 0.934 -0.434 -9.783 430 HH21 ARG 53 HH21 ARG 53 -1.181 1.741 -11.542 431 HH22 ARG 53 HH22 ARG 53 -0.052 0.431 -11.667 432 H ALA 54 H ALA 54 1.844 2.554 -2.884 433 HA ALA 54 HA ALA 54 0.717 4.396 -1.049 434 HB1 ALA 54 HB1 ALA 54 1.689 2.963 0.707 435 HB2 ALA 54 HB2 ALA 54 2.684 2.142 -0.499 436 HB3 ALA 54 HB3 ALA 54 0.927 1.984 -0.550 437 H LYS 55 H LYS 55 4.076 3.563 -1.821 438 HA LYS 55 HA LYS 55 5.428 5.376 -0.165 439 HB2 LYS 55 HB2 LYS 55 6.527 3.442 -1.242 440 HB3 LYS 55 HB3 LYS 55 6.268 4.149 -2.833 441 HG2 LYS 55 HG2 LYS 55 7.787 6.011 -2.262 442 HG3 LYS 55 HG3 LYS 55 8.022 5.324 -0.651 443 HD2 LYS 55 HD2 LYS 55 9.007 3.282 -1.696 444 HD3 LYS 55 HD3 LYS 55 8.818 4.031 -3.287 445 HE2 LYS 55 HE2 LYS 55 10.587 4.994 -1.014 446 HE3 LYS 55 HE3 LYS 55 11.110 4.313 -2.555 447 HZ1 LYS 55 HZ1 LYS 55 10.090 6.249 -3.664 448 HZ2 LYS 55 HZ2 LYS 55 11.335 6.680 -2.610 449 HZ3 LYS 55 HZ3 LYS 55 9.729 6.916 -2.152 450 H LYS 56 H LYS 56 4.258 5.618 -3.466 451 HA LYS 56 HA LYS 56 5.358 8.056 -4.279 452 HB2 LYS 56 HB2 LYS 56 4.360 6.432 -5.819 453 HB3 LYS 56 HB3 LYS 56 2.778 6.647 -5.079 454 HG2 LYS 56 HG2 LYS 56 2.777 9.017 -5.893 455 HG3 LYS 56 HG3 LYS 56 4.304 8.690 -6.724 456 HD2 LYS 56 HD2 LYS 56 3.172 6.898 -8.048 457 HD3 LYS 56 HD3 LYS 56 1.651 7.272 -7.230 458 HE2 LYS 56 HE2 LYS 56 1.636 9.502 -8.217 459 HE3 LYS 56 HE3 LYS 56 3.219 9.219 -8.946 460 HZ1 LYS 56 HZ1 LYS 56 1.625 8.876 -10.618 461 HZ2 LYS 56 HZ2 LYS 56 0.651 7.917 -9.629 462 HZ3 LYS 56 HZ3 LYS 56 2.143 7.332 -10.168 463 H VAL 57 H VAL 57 2.259 7.318 -2.695 464 HA VAL 57 HA VAL 57 1.189 9.944 -2.740 465 HB VAL 57 HB VAL 57 0.505 7.514 -1.025 466 HG11 VAL 57 HG11 VAL 57 -1.007 10.139 -1.220 467 HG12 VAL 57 HG12 VAL 57 -0.164 9.528 0.205 468 HG13 VAL 57 HG13 VAL 57 -1.585 8.682 -0.408 469 HG21 VAL 57 HG21 VAL 57 -1.463 7.322 -2.504 470 HG22 VAL 57 HG22 VAL 57 0.024 7.286 -3.451 471 HG23 VAL 57 HG23 VAL 57 -0.948 8.756 -3.398 472 H PHE 58 H PHE 58 2.758 8.071 -0.097 473 HA PHE 58 HA PHE 58 2.856 10.103 1.834 474 HB2 PHE 58 HB2 PHE 58 4.667 7.696 1.413 475 HB3 PHE 58 HB3 PHE 58 4.829 8.769 2.798 476 HD1 PHE 58 HD2 PHE 58 2.511 9.166 4.133 477 HD2 PHE 58 HD1 PHE 58 3.412 5.734 1.741 478 HE1 PHE 58 HE2 PHE 58 0.879 7.834 5.407 479 HE2 PHE 58 HE1 PHE 58 1.785 4.413 3.025 480 HZ PHE 58 HZ PHE 58 0.519 5.459 4.859 481 H ASP 59 H ASP 59 5.034 9.398 -0.857 482 HA ASP 59 HA ASP 59 7.203 11.084 -0.125 483 HB2 ASP 59 HB2 ASP 59 7.429 9.261 -1.795 484 HB3 ASP 59 HB3 ASP 59 6.368 10.118 -2.898 485 H ALA 60 H ALA 60 4.306 11.576 -2.100 486 HA ALA 60 HA ALA 60 4.766 14.165 -3.078 487 HB1 ALA 60 HB1 ALA 60 2.329 14.328 -3.355 488 HB2 ALA 60 HB2 ALA 60 2.097 12.942 -2.282 489 HB3 ALA 60 HB3 ALA 60 2.900 12.733 -3.840 490 H GLU 61 H GLU 61 3.523 13.047 0.000 491 HA GLU 61 HA GLU 61 2.866 15.691 1.037 492 HB2 GLU 61 HB2 GLU 61 2.840 12.965 2.393 493 HB3 GLU 61 HB3 GLU 61 2.045 14.432 2.972 494 HG2 GLU 61 HG2 GLU 61 0.479 14.397 1.132 495 HG3 GLU 61 HG3 GLU 61 1.356 13.080 0.346 496 H HIS 62 H HIS 62 5.643 13.823 0.804 497 HA HIS 62 HA HIS 62 7.715 13.845 1.643 498 HB2 HIS 62 HB2 HIS 62 6.894 16.448 2.998 499 HB3 HIS 62 HB3 HIS 62 8.541 15.832 2.934 500 HD1 HIS 62 HD1 HIS 62 9.904 16.815 1.096 501 HD2 HIS 62 HD2 HIS 62 5.850 16.838 0.170 502 HE1 HIS 62 HE1 HIS 62 9.713 18.021 -1.101 503 HE2 HIS 62 HE2 HIS 62 7.253 18.060 -1.621 504 H ASP 63 H ASP 63 5.495 12.521 3.022 505 HA ASP 63 HA ASP 63 6.158 12.359 5.829 506 HB2 ASP 63 HB2 ASP 63 3.860 11.827 4.847 507 HB3 ASP 63 HB3 ASP 63 4.543 10.368 4.150 508 H THR 64 H THR 64 8.213 11.768 6.153 509 HA THR 64 HA THR 64 9.777 10.194 4.420 510 HB THR 64 HB THR 64 10.847 11.870 5.802 511 HG1 THR 64 HG1 THR 64 12.501 10.590 5.654 512 HG21 THR 64 HG21 THR 64 10.095 10.210 8.231 513 HG22 THR 64 HG22 THR 64 9.412 11.779 7.805 514 HG23 THR 64 HG23 THR 64 11.119 11.653 8.233 515 H ASP 65 H ASP 65 8.055 9.357 7.436 516 HA ASP 65 HA ASP 65 9.223 6.827 7.888 517 HB2 ASP 65 HB2 ASP 65 7.927 7.925 9.653 518 HB3 ASP 65 HB3 ASP 65 6.460 7.842 8.680 519 H GLY 66 H GLY 66 6.176 7.707 6.252 520 HA2 GLY 66 HA2 GLY 66 5.317 5.037 5.798 521 HA3 GLY 66 HA3 GLY 66 4.602 6.491 5.136 522 H ALA 67 H ALA 67 6.977 7.391 3.735 523 HA ALA 67 HA ALA 67 6.717 5.909 1.304 524 HB1 ALA 67 HB1 ALA 67 8.444 7.436 0.433 525 HB2 ALA 67 HB2 ALA 67 8.753 8.027 2.070 526 HB3 ALA 67 HB3 ALA 67 7.188 8.316 1.311 527 H ARG 68 H ARG 68 9.292 6.191 3.740 528 HA ARG 68 HA ARG 68 11.048 4.234 2.619 529 HB2 ARG 68 HB2 ARG 68 10.861 5.481 5.389 530 HB3 ARG 68 HB3 ARG 68 12.128 4.342 4.939 531 HG2 ARG 68 HG2 ARG 68 13.129 5.839 3.411 532 HG3 ARG 68 HG3 ARG 68 11.682 6.838 3.282 533 HD2 ARG 68 HD2 ARG 68 13.503 7.954 4.539 534 HD3 ARG 68 HD3 ARG 68 12.046 7.740 5.510 535 HE ARG 68 HE ARG 68 14.138 5.724 5.785 536 HH11 ARG 68 HH11 ARG 68 12.653 8.611 7.161 537 HH12 ARG 68 HH12 ARG 68 13.359 8.363 8.728 538 HH21 ARG 68 HH21 ARG 68 15.067 5.431 7.834 539 HH22 ARG 68 HH22 ARG 68 14.731 6.558 9.111 540 H ARG 69 H ARG 69 8.282 4.058 4.710 541 HA ARG 69 HA ARG 69 8.624 1.467 5.872 542 HB2 ARG 69 HB2 ARG 69 7.165 3.324 6.721 543 HB3 ARG 69 HB3 ARG 69 6.102 3.100 5.342 544 HG2 ARG 69 HG2 ARG 69 5.490 0.858 6.192 545 HG3 ARG 69 HG3 ARG 69 6.581 1.094 7.568 546 HD2 ARG 69 HD2 ARG 69 5.229 3.233 8.073 547 HD3 ARG 69 HD3 ARG 69 4.045 2.626 6.913 548 HE ARG 69 HE ARG 69 4.111 0.549 8.488 549 HH11 ARG 69 HH11 ARG 69 4.291 3.922 9.513 550 HH12 ARG 69 HH12 ARG 69 3.554 3.612 11.052 551 HH21 ARG 69 HH21 ARG 69 3.172 0.161 10.515 552 HH22 ARG 69 HH22 ARG 69 2.919 1.473 11.619 553 H ALA 70 H ALA 70 6.852 2.722 3.068 554 HA ALA 70 HA ALA 70 5.863 0.233 2.103 555 HB1 ALA 70 HB1 ALA 70 4.818 2.368 1.509 556 HB2 ALA 70 HB2 ALA 70 5.317 1.492 0.060 557 HB3 ALA 70 HB3 ALA 70 6.276 2.857 0.642 558 H ALA 71 H ALA 71 8.738 2.189 1.460 559 HA ALA 71 HA ALA 71 9.923 0.612 -0.566 560 HB1 ALA 71 HB1 ALA 71 10.608 2.930 -0.064 561 HB2 ALA 71 HB2 ALA 71 11.987 1.833 -0.019 562 HB3 ALA 71 HB3 ALA 71 11.266 2.406 1.488 563 H LYS 72 H LYS 72 9.847 0.300 2.921 564 HA LYS 72 HA LYS 72 12.029 -1.524 3.278 565 HB2 LYS 72 HB2 LYS 72 11.161 -0.049 5.071 566 HB3 LYS 72 HB3 LYS 72 9.620 -0.895 5.043 567 HG2 LYS 72 HG2 LYS 72 10.794 -2.969 5.817 568 HG3 LYS 72 HG3 LYS 72 12.296 -2.042 5.929 569 HD2 LYS 72 HD2 LYS 72 9.735 -1.515 7.497 570 HD3 LYS 72 HD3 LYS 72 11.208 -2.239 8.140 571 HE2 LYS 72 HE2 LYS 72 12.425 -0.137 7.773 572 HE3 LYS 72 HE3 LYS 72 10.991 0.590 7.044 573 HZ1 LYS 72 HZ1 LYS 72 9.841 0.360 9.157 574 HZ2 LYS 72 HZ2 LYS 72 11.257 1.265 9.345 575 HZ3 LYS 72 HZ3 LYS 72 11.210 -0.341 9.860 576 H SER 73 H SER 73 8.485 -1.877 3.128 577 HA SER 73 HA SER 73 8.426 -4.727 3.285 578 HB2 SER 73 HB2 SER 73 6.492 -3.179 3.840 579 HB3 SER 73 HB3 SER 73 6.273 -2.916 2.111 580 HG SER 73 HG SER 73 5.994 -5.323 3.577 581 H LEU 74 H LEU 74 8.674 -2.405 0.639 582 HA LEU 74 HA LEU 74 8.550 -4.195 -1.555 583 HB2 LEU 74 HB2 LEU 74 9.754 -1.445 -1.172 584 HB3 LEU 74 HB3 LEU 74 10.056 -2.318 -2.665 585 HG LEU 74 HG LEU 74 7.281 -1.649 -1.636 586 HD11 LEU 74 HD11 LEU 74 8.880 -0.204 -3.758 587 HD12 LEU 74 HD12 LEU 74 8.457 0.419 -2.160 588 HD13 LEU 74 HD13 LEU 74 7.189 0.096 -3.340 589 HD21 LEU 74 HD21 LEU 74 8.196 -2.693 -4.329 590 HD22 LEU 74 HD22 LEU 74 6.544 -2.244 -3.899 591 HD23 LEU 74 HD23 LEU 74 7.321 -3.605 -3.096 592 H SER 75 H SER 75 11.215 -3.224 0.590 593 HA SER 75 HA SER 75 13.335 -4.325 -0.934 594 HB2 SER 75 HB2 SER 75 13.145 -3.752 2.055 595 HB3 SER 75 HB3 SER 75 14.637 -4.215 1.232 596 HG SER 75 HG SER 75 13.206 -2.089 0.147 597 H GLU 76 H GLU 76 11.207 -5.710 1.538 598 HA GLU 76 HA GLU 76 12.346 -8.332 1.515 599 HB2 GLU 76 HB2 GLU 76 9.655 -7.222 2.394 600 HB3 GLU 76 HB3 GLU 76 9.960 -8.956 2.409 601 HG2 GLU 76 HG2 GLU 76 11.559 -6.879 3.933 602 HG3 GLU 76 HG3 GLU 76 10.314 -7.919 4.621 603 H ALA 77 H ALA 77 9.653 -6.799 -0.232 604 HA ALA 77 HA ALA 77 8.520 -9.020 -1.472 605 HB1 ALA 77 HB1 ALA 77 7.442 -6.800 -1.325 606 HB2 ALA 77 HB2 ALA 77 7.447 -7.407 -2.981 607 HB3 ALA 77 HB3 ALA 77 8.600 -6.161 -2.495 608 H TYR 78 H TYR 78 11.006 -6.791 -2.738 609 HA TYR 78 HA TYR 78 11.169 -7.813 -5.350 610 HB2 TYR 78 HB2 TYR 78 13.127 -6.155 -3.718 611 HB3 TYR 78 HB3 TYR 78 13.395 -6.541 -5.413 612 HD1 TYR 78 HD2 TYR 78 10.519 -6.263 -6.382 613 HD2 TYR 78 HD1 TYR 78 12.905 -3.763 -3.873 614 HE1 TYR 78 HE2 TYR 78 9.201 -4.331 -7.069 615 HE2 TYR 78 HE1 TYR 78 11.576 -1.813 -4.554 616 HH TYR 78 HH TYR 78 8.616 -2.074 -6.097 617 H GLN 79 H GLN 79 12.926 -8.673 -2.401 618 HA GLN 79 HA GLN 79 14.843 -10.401 -3.586 619 HB2 GLN 79 HB2 GLN 79 13.609 -10.546 -0.799 620 HB3 GLN 79 HB3 GLN 79 15.052 -11.416 -1.322 621 HG2 GLN 79 HG2 GLN 79 16.221 -9.278 -1.650 622 HG3 GLN 79 HG3 GLN 79 14.781 -8.402 -1.134 623 HE21 GLN 79 HE21 GLN 79 14.162 -8.501 1.067 624 HE22 GLN 79 HE22 GLN 79 15.267 -8.983 2.305 625 H LYS 80 H LYS 80 11.581 -10.929 -2.239 626 HA LYS 80 HA LYS 80 11.536 -13.761 -2.603 627 HB2 LYS 80 HB2 LYS 80 9.153 -11.887 -2.249 628 HB3 LYS 80 HB3 LYS 80 9.168 -13.629 -1.965 629 HG2 LYS 80 HG2 LYS 80 10.795 -13.298 -0.109 630 HG3 LYS 80 HG3 LYS 80 10.740 -11.557 -0.392 631 HD2 LYS 80 HD2 LYS 80 8.171 -11.791 0.049 632 HD3 LYS 80 HD3 LYS 80 8.587 -13.365 0.733 633 HE2 LYS 80 HE2 LYS 80 9.572 -10.648 1.676 634 HE3 LYS 80 HE3 LYS 80 8.457 -11.719 2.519 635 HZ1 LYS 80 HZ1 LYS 80 10.226 -13.293 2.843 636 HZ2 LYS 80 HZ2 LYS 80 10.728 -11.782 3.418 637 HZ3 LYS 80 HZ3 LYS 80 11.298 -12.358 1.937 638 H VAL 81 H VAL 81 10.944 -11.119 -4.693 639 HA VAL 81 HA VAL 81 9.410 -12.518 -6.711 640 HB VAL 81 HB VAL 81 10.665 -9.745 -6.520 641 HG11 VAL 81 HG11 VAL 81 9.588 -9.122 -8.659 642 HG12 VAL 81 HG12 VAL 81 9.141 -10.813 -8.926 643 HG13 VAL 81 HG13 VAL 81 10.842 -10.345 -8.896 644 HG21 VAL 81 HG21 VAL 81 8.328 -8.998 -6.510 645 HG22 VAL 81 HG22 VAL 81 8.600 -10.179 -5.232 646 HG23 VAL 81 HG23 VAL 81 7.775 -10.658 -6.717 647 H GLU 82 H GLU 82 12.783 -11.360 -6.387 648 HA GLU 82 HA GLU 82 13.510 -12.359 -9.033 649 HB2 GLU 82 HB2 GLU 82 15.093 -10.852 -6.915 650 HB3 GLU 82 HB3 GLU 82 15.755 -11.324 -8.484 651 HG2 GLU 82 HG2 GLU 82 14.150 -9.934 -9.653 652 HG3 GLU 82 HG3 GLU 82 13.299 -9.572 -8.150 653 H GLY 83 H GLY 83 14.704 -12.940 -5.682 654 HA2 GLY 83 HA2 GLY 83 15.254 -15.738 -6.269 655 HA3 GLY 83 HA3 GLY 83 16.690 -14.737 -6.090 656 H SER 84 H SER 84 13.602 -15.391 -4.441 657 HA SER 84 HA SER 84 14.756 -16.483 -2.115 658 HB2 SER 84 HB2 SER 84 15.347 -14.088 -1.600 659 HB3 SER 84 HB3 SER 84 13.641 -13.664 -1.691 660 HG SER 84 HG SER 84 13.314 -15.184 0.053 661 H GLY 85 H GLY 85 12.960 -17.481 -3.780 662 HA2 GLY 85 HA2 GLY 85 10.210 -17.091 -2.919 663 HA3 GLY 85 HA3 GLY 85 10.807 -18.295 -4.053 664 H ASP 86 H ASP 86 10.624 -17.477 -0.623 665 HA ASP 86 HA ASP 86 11.627 -19.945 0.378 666 HB2 ASP 86 HB2 ASP 86 10.008 -17.761 1.756 667 HB3 ASP 86 HB3 ASP 86 10.756 -19.121 2.595 668 H LYS 87 H LYS 87 10.653 -21.817 0.643 669 HA LYS 87 HA LYS 87 7.964 -22.271 -0.283 670 HB2 LYS 87 HB2 LYS 87 9.886 -24.288 0.969 671 HB3 LYS 87 HB3 LYS 87 8.482 -24.652 -0.031 672 HG2 LYS 87 HG2 LYS 87 11.088 -23.367 -0.906 673 HG3 LYS 87 HG3 LYS 87 10.478 -24.965 -1.352 674 HD2 LYS 87 HD2 LYS 87 8.613 -23.890 -2.599 675 HD3 LYS 87 HD3 LYS 87 9.227 -22.299 -2.140 676 HE2 LYS 87 HE2 LYS 87 11.345 -22.815 -3.349 677 HE3 LYS 87 HE3 LYS 87 10.636 -24.340 -3.888 678 HZ1 LYS 87 HZ1 LYS 87 10.434 -22.651 -5.578 679 HZ2 LYS 87 HZ2 LYS 87 9.624 -21.616 -4.516 680 HZ3 LYS 87 HZ3 LYS 87 8.895 -23.061 -5.008 681 H GLY 88 H GLY 88 6.278 -23.289 0.918 682 HA2 GLY 88 HA2 GLY 88 5.175 -24.000 2.868 683 HA3 GLY 88 HA3 GLY 88 6.421 -23.255 3.860 684 H LYS 89 H LYS 89 6.436 -20.685 2.568 685 HA LYS 89 HA LYS 89 5.550 -18.608 2.758 686 HB2 LYS 89 HB2 LYS 89 2.882 -20.049 2.445 687 HB3 LYS 89 HB3 LYS 89 3.059 -18.299 2.431 688 HG2 LYS 89 HG2 LYS 89 4.333 -18.380 0.368 689 HG3 LYS 89 HG3 LYS 89 4.384 -20.145 0.411 690 HD2 LYS 89 HD2 LYS 89 2.678 -19.294 -1.200 691 HD3 LYS 89 HD3 LYS 89 1.958 -20.270 0.079 692 HE2 LYS 89 HE2 LYS 89 1.338 -18.134 1.264 693 HE3 LYS 89 HE3 LYS 89 1.939 -17.238 -0.132 694 HZ1 LYS 89 HZ1 LYS 89 -0.249 -19.250 -0.228 695 HZ2 LYS 89 HZ2 LYS 89 0.268 -18.268 -1.503 696 HZ3 LYS 89 HZ3 LYS 89 -0.483 -17.578 -0.157 697 H ILE 90 H ILE 90 3.664 -17.324 4.085 698 HA ILE 90 HA ILE 90 3.562 -18.422 6.832 699 HB ILE 90 HB ILE 90 3.799 -16.040 7.695 700 HG12 ILE 90 HG12 ILE 90 4.738 -15.452 4.839 701 HG13 ILE 90 HG13 ILE 90 3.294 -14.804 5.606 702 HG21 ILE 90 HG21 ILE 90 5.661 -17.648 7.834 703 HG22 ILE 90 HG22 ILE 90 6.260 -16.010 7.579 704 HG23 ILE 90 HG23 ILE 90 6.226 -17.154 6.235 705 HD11 ILE 90 HD11 ILE 90 5.018 -13.134 5.556 706 HD12 ILE 90 HD12 ILE 90 6.151 -14.209 6.375 707 HD13 ILE 90 HD13 ILE 90 4.725 -13.610 7.229 708 H PHE 91 H PHE 91 1.542 -18.772 7.366 709 HA PHE 91 HA PHE 91 -0.756 -17.377 6.304 710 HB2 PHE 91 HB2 PHE 91 -0.782 -19.786 7.014 711 HB3 PHE 91 HB3 PHE 91 -0.502 -19.288 8.675 712 HD1 PHE 91 HD1 PHE 91 -2.936 -19.102 5.862 713 HD2 PHE 91 HD2 PHE 91 -2.357 -18.654 10.081 714 HE1 PHE 91 HE1 PHE 91 -5.359 -18.929 6.186 715 HE2 PHE 91 HE2 PHE 91 -4.788 -18.486 10.391 716 HZ PHE 91 HZ PHE 91 -6.292 -18.624 8.446 717 H GLN 92 H GLN 92 1.439 -17.118 8.972 718 HA GLN 92 HA GLN 92 1.806 -15.742 10.687 719 HB2 GLN 92 HB2 GLN 92 -0.287 -13.930 9.409 720 HB3 GLN 92 HB3 GLN 92 0.744 -13.468 10.761 721 HG2 GLN 92 HG2 GLN 92 2.741 -13.735 9.335 722 HG3 GLN 92 HG3 GLN 92 1.714 -14.204 7.979 723 HE21 GLN 92 HE21 GLN 92 2.714 -11.542 10.037 724 HE22 GLN 92 HE22 GLN 92 2.120 -10.281 9.017 725 H LYS 93 H LYS 93 0.525 -14.465 12.547 726 HA LYS 93 HA LYS 93 -0.810 -14.532 14.365 727 HB2 LYS 93 HB2 LYS 93 -2.607 -14.292 12.610 728 HB3 LYS 93 HB3 LYS 93 -2.783 -16.040 12.605 729 HG2 LYS 93 HG2 LYS 93 -3.473 -15.910 15.030 730 HG3 LYS 93 HG3 LYS 93 -3.419 -14.149 14.898 731 HD2 LYS 93 HD2 LYS 93 -5.725 -14.955 14.628 732 HD3 LYS 93 HD3 LYS 93 -5.154 -14.224 13.127 733 HE2 LYS 93 HE2 LYS 93 -4.667 -16.519 12.248 734 HE3 LYS 93 HE3 LYS 93 -5.348 -17.199 13.729 735 HZ1 LYS 93 HZ1 LYS 93 -7.468 -16.195 13.177 736 HZ2 LYS 93 HZ2 LYS 93 -6.945 -17.169 11.900 737 HZ3 LYS 93 HZ3 LYS 93 -6.814 -15.489 11.789 738 H GLU 94 H GLU 94 1.017 -16.834 13.549 739 HA GLU 94 HA GLU 94 0.007 -19.271 14.677 740 HB2 GLU 94 HB2 GLU 94 1.755 -19.161 12.899 741 HB3 GLU 94 HB3 GLU 94 2.862 -18.404 14.038 742 HG2 GLU 94 HG2 GLU 94 2.852 -20.469 15.406 743 HG3 GLU 94 HG3 GLU 94 1.758 -21.228 14.250 744 H GLY 95 H GLY 95 -0.537 -19.212 16.792 745 HA2 GLY 95 HA2 GLY 95 1.434 -18.435 18.846 746 HA3 GLY 95 HA3 GLY 95 -0.143 -17.650 18.859 747 H GLU 96 H GLU 96 1.309 -19.618 20.677 748 HA GLU 96 HA GLU 96 -0.129 -22.101 20.576 749 HB2 GLU 96 HB2 GLU 96 2.180 -21.982 21.421 750 HB3 GLU 96 HB3 GLU 96 1.669 -20.941 22.745 751 HG2 GLU 96 HG2 GLU 96 0.345 -22.755 23.712 752 HG3 GLU 96 HG3 GLU 96 0.702 -23.790 22.332 753 H SER 97 H SER 97 -2.166 -22.309 21.179 754 HA SER 97 HA SER 97 -4.045 -22.417 22.397 755 HB2 SER 97 HB2 SER 97 -2.455 -21.185 24.684 756 HB3 SER 97 HB3 SER 97 -4.012 -22.013 24.826 757 HG SER 97 HG SER 97 -2.822 -23.856 23.804 758 H ILE 98 H ILE 98 -4.901 -20.916 20.867 759 HA ILE 98 HA ILE 98 -5.371 -18.156 21.780 760 HB ILE 98 HB ILE 98 -6.502 -17.811 19.577 761 HG12 ILE 98 HG12 ILE 98 -5.668 -20.693 18.957 762 HG13 ILE 98 HG13 ILE 98 -7.321 -20.142 19.204 763 HG21 ILE 98 HG21 ILE 98 -4.104 -17.324 19.796 764 HG22 ILE 98 HG22 ILE 98 -4.473 -17.908 18.173 765 HG23 ILE 98 HG23 ILE 98 -3.706 -18.985 19.343 766 HD11 ILE 98 HD11 ILE 98 -5.496 -19.338 16.936 767 HD12 ILE 98 HD12 ILE 98 -7.132 -18.726 17.199 768 HD13 ILE 98 HD13 ILE 98 -6.874 -20.436 16.856 769 H LEU 99 H LEU 99 -7.548 -17.309 21.902 770 HA LEU 99 HA LEU 99 -9.600 -17.194 22.788 771 HB2 LEU 99 HB2 LEU 99 -9.944 -19.860 21.374 772 HB3 LEU 99 HB3 LEU 99 -11.237 -19.161 22.333 773 HG LEU 99 HG LEU 99 -11.174 -17.127 20.834 774 HD11 LEU 99 HD11 LEU 99 -9.349 -18.798 19.098 775 HD12 LEU 99 HD12 LEU 99 -8.922 -17.308 19.943 776 HD13 LEU 99 HD13 LEU 99 -10.107 -17.269 18.638 777 HD21 LEU 99 HD21 LEU 99 -12.880 -18.841 20.548 778 HD22 LEU 99 HD22 LEU 99 -11.813 -19.760 19.481 779 HD23 LEU 99 HD23 LEU 99 -12.406 -18.172 18.987 780 H GLU 100 H GLU 100 -8.831 -17.116 24.890 781 HA GLU 100 HA GLU 100 -9.442 -19.472 26.574 782 HB2 GLU 100 HB2 GLU 100 -7.415 -18.597 28.034 783 HB3 GLU 100 HB3 GLU 100 -7.120 -19.632 26.649 784 HG2 GLU 100 HG2 GLU 100 -5.466 -17.886 26.699 785 HG3 GLU 100 HG3 GLU 100 -6.503 -17.650 25.298 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -14.635 -17.011 6.764 2 H2 GLY 1 H2 GLY 1 -16.013 -16.689 5.842 3 H3 GLY 1 H3 GLY 1 -15.687 -15.771 7.220 4 HA2 GLY 1 HA2 GLY 1 -14.085 -15.820 4.733 5 HA3 GLY 1 HA3 GLY 1 -15.155 -14.522 5.242 6 H GLY 2 H GLY 2 -13.918 -12.827 5.826 7 HA2 GLY 2 HA2 GLY 2 -12.360 -11.554 6.930 8 HA3 GLY 2 HA3 GLY 2 -11.931 -12.955 7.905 9 H SER 3 H SER 3 -11.850 -13.421 4.507 10 HA SER 3 HA SER 3 -9.182 -14.336 4.528 11 HB2 SER 3 HB2 SER 3 -10.983 -13.663 2.156 12 HB3 SER 3 HB3 SER 3 -9.573 -14.725 2.120 13 HG SER 3 HG SER 3 -10.677 -16.065 3.634 14 HA PRO 4 HA PRO 4 -6.579 -10.738 3.701 15 HB2 PRO 4 HB2 PRO 4 -5.432 -12.352 1.417 16 HB3 PRO 4 HB3 PRO 4 -4.589 -11.479 2.715 17 HG2 PRO 4 HG2 PRO 4 -4.788 -14.121 2.842 18 HG3 PRO 4 HG3 PRO 4 -5.017 -13.140 4.308 19 HD2 PRO 4 HD2 PRO 4 -7.093 -14.496 2.606 20 HD3 PRO 4 HD3 PRO 4 -7.036 -14.300 4.375 21 H ASP 5 H ASP 5 -7.924 -12.253 0.755 22 HA ASP 5 HA ASP 5 -7.887 -9.968 -0.918 23 HB2 ASP 5 HB2 ASP 5 -8.064 -12.222 -1.852 24 HB3 ASP 5 HB3 ASP 5 -9.608 -12.481 -1.045 25 H GLU 6 H GLU 6 -10.371 -11.246 1.294 26 HA GLU 6 HA GLU 6 -12.451 -9.410 0.723 27 HB2 GLU 6 HB2 GLU 6 -12.788 -11.494 2.033 28 HB3 GLU 6 HB3 GLU 6 -11.818 -10.833 3.347 29 HG2 GLU 6 HG2 GLU 6 -13.509 -8.986 3.571 30 HG3 GLU 6 HG3 GLU 6 -14.509 -9.815 2.376 31 H ASN 7 H ASN 7 -9.650 -9.268 2.892 32 HA ASN 7 HA ASN 7 -10.305 -6.801 4.160 33 HB2 ASN 7 HB2 ASN 7 -7.683 -8.328 3.962 34 HB3 ASN 7 HB3 ASN 7 -7.845 -6.812 4.855 35 HD21 ASN 7 HD21 ASN 7 -8.457 -10.218 4.920 36 HD22 ASN 7 HD22 ASN 7 -9.141 -10.268 6.505 37 H ILE 8 H ILE 8 -8.455 -7.627 1.236 38 HA ILE 8 HA ILE 8 -7.357 -5.167 0.550 39 HB ILE 8 HB ILE 8 -8.511 -7.402 -1.153 40 HG12 ILE 8 HG12 ILE 8 -5.655 -6.431 -0.763 41 HG13 ILE 8 HG13 ILE 8 -6.393 -7.775 0.097 42 HG21 ILE 8 HG21 ILE 8 -7.222 -4.899 -2.289 43 HG22 ILE 8 HG22 ILE 8 -8.881 -5.436 -2.548 44 HG23 ILE 8 HG23 ILE 8 -7.540 -6.373 -3.208 45 HD11 ILE 8 HD11 ILE 8 -5.838 -7.643 -2.859 46 HD12 ILE 8 HD12 ILE 8 -6.626 -8.985 -2.022 47 HD13 ILE 8 HD13 ILE 8 -4.954 -8.571 -1.648 48 H ALA 9 H ALA 9 -10.622 -6.392 -0.180 49 HA ALA 9 HA ALA 9 -11.661 -4.104 -1.443 50 HB1 ALA 9 HB1 ALA 9 -13.865 -5.138 -1.061 51 HB2 ALA 9 HB2 ALA 9 -13.139 -6.274 0.084 52 HB3 ALA 9 HB3 ALA 9 -12.686 -6.327 -1.622 53 H LYS 10 H LYS 10 -11.515 -5.025 1.970 54 HA LYS 10 HA LYS 10 -13.119 -2.957 3.070 55 HB2 LYS 10 HB2 LYS 10 -12.559 -4.995 4.331 56 HB3 LYS 10 HB3 LYS 10 -10.852 -4.575 4.299 57 HG2 LYS 10 HG2 LYS 10 -11.337 -2.567 5.681 58 HG3 LYS 10 HG3 LYS 10 -13.037 -3.045 5.744 59 HD2 LYS 10 HD2 LYS 10 -12.346 -5.180 6.879 60 HD3 LYS 10 HD3 LYS 10 -10.675 -4.602 6.882 61 HE2 LYS 10 HE2 LYS 10 -11.448 -2.612 8.217 62 HE3 LYS 10 HE3 LYS 10 -13.043 -3.360 8.320 63 HZ1 LYS 10 HZ1 LYS 10 -10.499 -4.437 9.394 64 HZ2 LYS 10 HZ2 LYS 10 -11.968 -5.266 9.404 65 HZ3 LYS 10 HZ3 LYS 10 -11.806 -3.837 10.286 66 H PHE 11 H PHE 11 -9.653 -3.164 2.317 67 HA PHE 11 HA PHE 11 -8.943 -0.634 3.506 68 HB2 PHE 11 HB2 PHE 11 -7.367 -2.406 1.594 69 HB3 PHE 11 HB3 PHE 11 -6.713 -1.006 2.438 70 HD1 PHE 11 HD2 PHE 11 -7.828 -1.372 5.186 71 HD2 PHE 11 HD1 PHE 11 -6.159 -4.249 2.481 72 HE1 PHE 11 HE2 PHE 11 -7.184 -2.801 7.079 73 HE2 PHE 11 HE1 PHE 11 -5.525 -5.659 4.392 74 HZ PHE 11 HZ PHE 11 -6.036 -4.943 6.686 75 H GLU 12 H GLU 12 -10.046 -1.719 0.377 76 HA GLU 12 HA GLU 12 -9.511 0.662 -1.118 77 HB2 GLU 12 HB2 GLU 12 -11.564 -1.543 -1.559 78 HB3 GLU 12 HB3 GLU 12 -11.253 -0.235 -2.701 79 HG2 GLU 12 HG2 GLU 12 -8.906 -0.997 -2.917 80 HG3 GLU 12 HG3 GLU 12 -9.247 -2.331 -1.818 81 H LYS 13 H LYS 13 -12.152 -0.396 0.977 82 HA LYS 13 HA LYS 13 -13.979 1.732 0.551 83 HB2 LYS 13 HB2 LYS 13 -13.460 0.067 3.053 84 HB3 LYS 13 HB3 LYS 13 -14.837 1.147 2.848 85 HG2 LYS 13 HG2 LYS 13 -15.746 -0.222 1.075 86 HG3 LYS 13 HG3 LYS 13 -14.288 -1.215 1.023 87 HD2 LYS 13 HD2 LYS 13 -16.144 -2.372 2.180 88 HD3 LYS 13 HD3 LYS 13 -14.766 -2.109 3.251 89 HE2 LYS 13 HE2 LYS 13 -16.889 -1.667 4.410 90 HE3 LYS 13 HE3 LYS 13 -15.939 -0.187 4.283 91 HZ1 LYS 13 HZ1 LYS 13 -17.323 0.476 2.402 92 HZ2 LYS 13 HZ2 LYS 13 -18.261 0.207 3.782 93 HZ3 LYS 13 HZ3 LYS 13 -18.225 -0.944 2.545 94 H ALA 14 H ALA 14 -11.240 1.295 2.761 95 HA ALA 14 HA ALA 14 -11.373 3.833 4.042 96 HB1 ALA 14 HB1 ALA 14 -10.254 1.909 5.076 97 HB2 ALA 14 HB2 ALA 14 -9.138 3.267 4.914 98 HB3 ALA 14 HB3 ALA 14 -9.041 1.906 3.792 99 H TYR 15 H TYR 15 -9.887 2.675 1.068 100 HA TYR 15 HA TYR 15 -8.075 4.814 0.565 101 HB2 TYR 15 HB2 TYR 15 -7.826 2.637 -0.557 102 HB3 TYR 15 HB3 TYR 15 -9.395 2.810 -1.326 103 HD1 TYR 15 HD2 TYR 15 -6.049 4.525 -1.151 104 HD2 TYR 15 HD1 TYR 15 -9.464 3.636 -3.557 105 HE1 TYR 15 HE2 TYR 15 -4.958 5.550 -3.072 106 HE2 TYR 15 HE1 TYR 15 -8.369 4.675 -5.494 107 HH TYR 15 HH TYR 15 -6.559 6.417 -5.879 108 H LYS 16 H LYS 16 -11.401 4.137 -0.473 109 HA LYS 16 HA LYS 16 -11.597 6.454 -2.164 110 HB2 LYS 16 HB2 LYS 16 -13.719 4.499 -1.211 111 HB3 LYS 16 HB3 LYS 16 -13.988 5.752 -2.421 112 HG2 LYS 16 HG2 LYS 16 -12.078 3.399 -2.673 113 HG3 LYS 16 HG3 LYS 16 -13.642 3.563 -3.475 114 HD2 LYS 16 HD2 LYS 16 -12.795 5.504 -4.762 115 HD3 LYS 16 HD3 LYS 16 -11.238 5.392 -3.934 116 HE2 LYS 16 HE2 LYS 16 -11.086 4.390 -6.163 117 HE3 LYS 16 HE3 LYS 16 -10.883 3.147 -4.932 118 HZ1 LYS 16 HZ1 LYS 16 -13.189 2.493 -5.279 119 HZ2 LYS 16 HZ2 LYS 16 -12.310 2.403 -6.721 120 HZ3 LYS 16 HZ3 LYS 16 -13.372 3.690 -6.459 121 H LYS 17 H LYS 17 -12.584 5.640 1.147 122 HA LYS 17 HA LYS 17 -13.997 8.039 1.729 123 HB2 LYS 17 HB2 LYS 17 -14.129 6.054 3.216 124 HB3 LYS 17 HB3 LYS 17 -12.427 6.222 3.619 125 HG2 LYS 17 HG2 LYS 17 -13.835 7.071 5.443 126 HG3 LYS 17 HG3 LYS 17 -12.884 8.382 4.735 127 HD2 LYS 17 HD2 LYS 17 -14.912 9.034 3.377 128 HD3 LYS 17 HD3 LYS 17 -15.837 7.794 4.229 129 HE2 LYS 17 HE2 LYS 17 -15.373 8.975 6.369 130 HE3 LYS 17 HE3 LYS 17 -14.515 10.229 5.467 131 HZ1 LYS 17 HZ1 LYS 17 -17.389 9.526 5.177 132 HZ2 LYS 17 HZ2 LYS 17 -16.573 10.703 4.278 133 HZ3 LYS 17 HZ3 LYS 17 -16.769 10.899 5.945 134 H ALA 18 H ALA 18 -10.599 7.081 2.065 135 HA ALA 18 HA ALA 18 -9.450 9.384 3.161 136 HB1 ALA 18 HB1 ALA 18 -7.364 8.547 2.148 137 HB2 ALA 18 HB2 ALA 18 -8.297 7.407 1.169 138 HB3 ALA 18 HB3 ALA 18 -8.283 7.256 2.928 139 H GLU 19 H GLU 19 -10.205 8.518 -0.193 140 HA GLU 19 HA GLU 19 -9.049 10.729 -1.533 141 HB2 GLU 19 HB2 GLU 19 -9.601 8.596 -2.657 142 HB3 GLU 19 HB3 GLU 19 -11.317 8.879 -2.384 143 HG2 GLU 19 HG2 GLU 19 -11.200 10.889 -3.843 144 HG3 GLU 19 HG3 GLU 19 -9.489 10.566 -4.130 145 H GLU 20 H GLU 20 -12.309 10.121 -0.224 146 HA GLU 20 HA GLU 20 -13.487 12.559 -1.145 147 HB2 GLU 20 HB2 GLU 20 -14.322 10.703 1.123 148 HB3 GLU 20 HB3 GLU 20 -15.298 12.042 0.517 149 HG2 GLU 20 HG2 GLU 20 -14.530 9.509 -0.958 150 HG3 GLU 20 HG3 GLU 20 -16.134 9.998 -0.423 151 H LEU 21 H LEU 21 -11.710 11.646 1.748 152 HA LEU 21 HA LEU 21 -12.045 14.160 3.122 153 HB2 LEU 21 HB2 LEU 21 -10.090 11.863 3.548 154 HB3 LEU 21 HB3 LEU 21 -10.205 13.261 4.610 155 HG LEU 21 HG LEU 21 -12.412 11.210 4.140 156 HD11 LEU 21 HD11 LEU 21 -12.021 10.496 6.448 157 HD12 LEU 21 HD12 LEU 21 -10.670 11.626 6.586 158 HD13 LEU 21 HD13 LEU 21 -10.580 10.272 5.456 159 HD21 LEU 21 HD21 LEU 21 -12.372 13.580 6.037 160 HD22 LEU 21 HD22 LEU 21 -13.632 12.346 5.934 161 HD23 LEU 21 HD23 LEU 21 -13.351 13.427 4.574 162 H ASN 22 H ASN 22 -10.155 13.072 0.510 163 HA ASN 22 HA ASN 22 -8.589 13.974 -0.821 164 HB2 ASN 22 HB2 ASN 22 -9.301 16.550 0.638 165 HB3 ASN 22 HB3 ASN 22 -8.265 16.491 -0.777 166 HD21 ASN 22 HD21 ASN 22 -9.890 14.456 -2.170 167 HD22 ASN 22 HD22 ASN 22 -11.303 15.295 -2.690 168 H GLN 23 H GLN 23 -7.837 12.746 1.638 169 HA GLN 23 HA GLN 23 -5.281 14.071 2.345 170 HB2 GLN 23 HB2 GLN 23 -6.880 11.994 3.921 171 HB3 GLN 23 HB3 GLN 23 -5.364 12.736 4.440 172 HG2 GLN 23 HG2 GLN 23 -6.452 14.929 4.585 173 HG3 GLN 23 HG3 GLN 23 -7.954 14.253 3.958 174 HE21 GLN 23 HE21 GLN 23 -9.170 14.813 5.727 175 HE22 GLN 23 HE22 GLN 23 -8.992 14.077 7.277 176 H GLY 24 H GLY 24 -3.753 13.261 1.089 177 HA2 GLY 24 HA2 GLY 24 -3.936 10.857 -0.380 178 HA3 GLY 24 HA3 GLY 24 -2.525 11.888 -0.243 179 H GLU 25 H GLU 25 -2.193 11.700 2.601 180 HA GLU 25 HA GLU 25 -0.476 9.499 2.813 181 HB2 GLU 25 HB2 GLU 25 -0.416 10.028 5.262 182 HB3 GLU 25 HB3 GLU 25 -0.202 11.443 4.235 183 HG2 GLU 25 HG2 GLU 25 -2.572 12.066 4.599 184 HG3 GLU 25 HG3 GLU 25 -2.773 10.662 5.652 185 H LEU 26 H LEU 26 -3.875 9.803 3.797 186 HA LEU 26 HA LEU 26 -4.221 7.271 5.033 187 HB2 LEU 26 HB2 LEU 26 -6.140 9.182 3.677 188 HB3 LEU 26 HB3 LEU 26 -6.688 7.692 4.416 189 HG LEU 26 HG LEU 26 -5.344 9.977 5.920 190 HD11 LEU 26 HD11 LEU 26 -7.581 10.441 6.825 191 HD12 LEU 26 HD12 LEU 26 -8.274 9.174 5.809 192 HD13 LEU 26 HD13 LEU 26 -7.571 10.615 5.071 193 HD21 LEU 26 HD21 LEU 26 -6.700 7.458 6.927 194 HD22 LEU 26 HD22 LEU 26 -6.087 8.773 7.936 195 HD23 LEU 26 HD23 LEU 26 -4.967 7.798 6.986 196 H MET 27 H MET 27 -4.674 8.421 1.673 197 HA MET 27 HA MET 27 -5.678 6.025 0.535 198 HB2 MET 27 HB2 MET 27 -4.174 8.314 -0.798 199 HB3 MET 27 HB3 MET 27 -4.992 7.027 -1.671 200 HG2 MET 27 HG2 MET 27 -7.129 7.788 -0.501 201 HG3 MET 27 HG3 MET 27 -6.227 9.226 -0.018 202 HE1 MET 27 HE1 MET 27 -5.004 10.818 -1.896 203 HE2 MET 27 HE2 MET 27 -5.276 10.631 -3.629 204 HE3 MET 27 HE3 MET 27 -4.339 9.421 -2.750 205 H GLY 28 H GLY 28 -2.417 7.211 1.062 206 HA2 GLY 28 HA2 GLY 28 -0.956 5.310 -0.441 207 HA3 GLY 28 HA3 GLY 28 -0.344 6.295 0.881 208 H ARG 29 H ARG 29 -1.861 5.524 3.002 209 HA ARG 29 HA ARG 29 -0.747 3.095 3.904 210 HB2 ARG 29 HB2 ARG 29 -3.152 4.649 4.955 211 HB3 ARG 29 HB3 ARG 29 -2.415 3.289 5.803 212 HG2 ARG 29 HG2 ARG 29 -0.332 4.528 6.067 213 HG3 ARG 29 HG3 ARG 29 -0.974 5.867 5.109 214 HD2 ARG 29 HD2 ARG 29 -2.735 6.212 6.832 215 HD3 ARG 29 HD3 ARG 29 -2.015 4.921 7.801 216 HE ARG 29 HE ARG 29 -0.114 6.947 7.157 217 HH11 ARG 29 HH11 ARG 29 -2.790 6.288 9.351 218 HH12 ARG 29 HH12 ARG 29 -2.209 7.366 10.573 219 HH21 ARG 29 HH21 ARG 29 0.634 8.353 8.769 220 HH22 ARG 29 HH22 ARG 29 -0.261 8.542 10.242 221 H ALA 30 H ALA 30 -3.817 3.852 2.364 222 HA ALA 30 HA ALA 30 -5.218 1.446 2.854 223 HB1 ALA 30 HB1 ALA 30 -5.535 3.420 0.562 224 HB2 ALA 30 HB2 ALA 30 -6.298 3.547 2.152 225 HB3 ALA 30 HB3 ALA 30 -6.724 2.214 1.078 226 H LEU 31 H LEU 31 -3.414 2.557 -0.055 227 HA LEU 31 HA LEU 31 -3.588 0.162 -1.556 228 HB2 LEU 31 HB2 LEU 31 -1.510 2.387 -1.668 229 HB3 LEU 31 HB3 LEU 31 -1.666 1.118 -2.876 230 HG LEU 31 HG LEU 31 -3.791 3.210 -2.253 231 HD11 LEU 31 HD11 LEU 31 -1.923 3.035 -4.636 232 HD12 LEU 31 HD12 LEU 31 -1.839 4.220 -3.329 233 HD13 LEU 31 HD13 LEU 31 -3.227 4.210 -4.413 234 HD21 LEU 31 HD21 LEU 31 -3.724 1.094 -4.435 235 HD22 LEU 31 HD22 LEU 31 -4.938 2.367 -4.263 236 HD23 LEU 31 HD23 LEU 31 -4.798 1.119 -3.031 237 H TYR 32 H TYR 32 -1.264 1.335 0.798 238 HA TYR 32 HA TYR 32 0.783 -0.557 0.615 239 HB2 TYR 32 HB2 TYR 32 1.057 1.497 1.892 240 HB3 TYR 32 HB3 TYR 32 -0.275 1.080 2.960 241 HD1 TYR 32 HD2 TYR 32 3.078 -0.239 1.896 242 HD2 TYR 32 HD1 TYR 32 0.253 0.182 5.082 243 HE1 TYR 32 HE2 TYR 32 4.682 -1.222 3.457 244 HE2 TYR 32 HE1 TYR 32 1.873 -0.801 6.643 245 HH TYR 32 HH TYR 32 3.842 -2.153 6.638 246 H ASN 33 H ASN 33 -2.156 -0.544 2.660 247 HA ASN 33 HA ASN 33 -1.659 -2.987 4.019 248 HB2 ASN 33 HB2 ASN 33 -4.264 -1.466 3.602 249 HB3 ASN 33 HB3 ASN 33 -4.071 -2.816 4.717 250 HD21 ASN 33 HD21 ASN 33 -4.851 -0.071 5.246 251 HD22 ASN 33 HD22 ASN 33 -3.720 0.538 6.398 252 H ILE 34 H ILE 34 -3.528 -2.193 1.115 253 HA ILE 34 HA ILE 34 -4.615 -4.707 0.479 254 HB ILE 34 HB ILE 34 -3.671 -2.443 -1.336 255 HG12 ILE 34 HG12 ILE 34 -6.526 -3.155 -0.519 256 HG13 ILE 34 HG13 ILE 34 -5.544 -1.957 0.316 257 HG21 ILE 34 HG21 ILE 34 -3.731 -4.473 -2.682 258 HG22 ILE 34 HG22 ILE 34 -5.088 -3.438 -3.128 259 HG23 ILE 34 HG23 ILE 34 -5.353 -4.852 -2.104 260 HD11 ILE 34 HD11 ILE 34 -5.413 -0.636 -1.741 261 HD12 ILE 34 HD12 ILE 34 -7.072 -0.890 -1.200 262 HD13 ILE 34 HD13 ILE 34 -6.439 -1.820 -2.558 263 H GLY 35 H GLY 35 -1.485 -3.229 -0.285 264 HA2 GLY 35 HA2 GLY 35 -0.328 -5.258 -1.843 265 HA3 GLY 35 HA3 GLY 35 0.535 -4.031 -0.934 266 H LEU 36 H LEU 36 -0.465 -4.768 1.669 267 HA LEU 36 HA LEU 36 1.360 -6.790 2.446 268 HB2 LEU 36 HB2 LEU 36 -1.062 -5.762 3.990 269 HB3 LEU 36 HB3 LEU 36 0.269 -6.689 4.676 270 HG LEU 36 HG LEU 36 0.426 -3.872 3.546 271 HD11 LEU 36 HD11 LEU 36 0.740 -4.844 6.391 272 HD12 LEU 36 HD12 LEU 36 -0.625 -3.939 5.729 273 HD13 LEU 36 HD13 LEU 36 0.964 -3.185 5.819 274 HD21 LEU 36 HD21 LEU 36 2.778 -3.851 4.277 275 HD22 LEU 36 HD22 LEU 36 2.490 -5.034 3.007 276 HD23 LEU 36 HD23 LEU 36 2.669 -5.570 4.679 277 H GLU 37 H GLU 37 -2.091 -6.848 1.746 278 HA GLU 37 HA GLU 37 -2.567 -9.543 2.556 279 HB2 GLU 37 HB2 GLU 37 -4.195 -7.889 0.596 280 HB3 GLU 37 HB3 GLU 37 -4.740 -9.302 1.496 281 HG2 GLU 37 HG2 GLU 37 -4.128 -6.537 2.551 282 HG3 GLU 37 HG3 GLU 37 -5.682 -7.364 2.532 283 H LYS 38 H LYS 38 -1.883 -7.993 -0.582 284 HA LYS 38 HA LYS 38 -1.969 -10.252 -2.259 285 HB2 LYS 38 HB2 LYS 38 -0.231 -7.748 -2.403 286 HB3 LYS 38 HB3 LYS 38 -0.352 -8.923 -3.710 287 HG2 LYS 38 HG2 LYS 38 -2.713 -7.352 -2.625 288 HG3 LYS 38 HG3 LYS 38 -1.724 -6.829 -3.993 289 HD2 LYS 38 HD2 LYS 38 -2.347 -8.971 -5.183 290 HD3 LYS 38 HD3 LYS 38 -3.436 -9.352 -3.843 291 HE2 LYS 38 HE2 LYS 38 -4.769 -7.357 -4.323 292 HE3 LYS 38 HE3 LYS 38 -3.634 -6.863 -5.580 293 HZ1 LYS 38 HZ1 LYS 38 -5.646 -7.942 -6.445 294 HZ2 LYS 38 HZ2 LYS 38 -5.216 -9.370 -5.643 295 HZ3 LYS 38 HZ3 LYS 38 -4.231 -8.764 -6.873 296 H ASN 39 H ASN 39 0.651 -8.896 -0.285 297 HA ASN 39 HA ASN 39 2.809 -10.485 -1.186 298 HB2 ASN 39 HB2 ASN 39 2.866 -8.254 0.126 299 HB3 ASN 39 HB3 ASN 39 2.604 -9.204 1.577 300 HD21 ASN 39 HD21 ASN 39 4.840 -7.488 0.880 301 HD22 ASN 39 HD22 ASN 39 6.260 -8.466 0.942 302 H LYS 40 H LYS 40 0.589 -10.860 1.583 303 HA LYS 40 HA LYS 40 1.850 -13.234 2.622 304 HB2 LYS 40 HB2 LYS 40 0.091 -13.282 4.276 305 HB3 LYS 40 HB3 LYS 40 0.565 -11.602 4.049 306 HG2 LYS 40 HG2 LYS 40 -1.423 -11.245 2.615 307 HG3 LYS 40 HG3 LYS 40 -1.897 -12.922 2.863 308 HD2 LYS 40 HD2 LYS 40 -3.217 -11.473 4.302 309 HD3 LYS 40 HD3 LYS 40 -2.165 -12.487 5.288 310 HE2 LYS 40 HE2 LYS 40 -0.700 -10.628 5.756 311 HE3 LYS 40 HE3 LYS 40 -1.495 -9.618 4.548 312 HZ1 LYS 40 HZ1 LYS 40 -2.801 -10.644 7.015 313 HZ2 LYS 40 HZ2 LYS 40 -3.483 -9.591 5.878 314 HZ3 LYS 40 HZ3 LYS 40 -2.181 -9.082 6.826 315 H MET 41 H MET 41 -0.572 -12.652 0.174 316 HA MET 41 HA MET 41 -1.584 -15.394 0.086 317 HB2 MET 41 HB2 MET 41 -2.025 -12.951 -1.679 318 HB3 MET 41 HB3 MET 41 -2.717 -14.521 -2.067 319 HG2 MET 41 HG2 MET 41 -4.111 -14.496 -0.141 320 HG3 MET 41 HG3 MET 41 -3.237 -13.143 0.573 321 HE1 MET 41 HE1 MET 41 -5.729 -14.216 -2.331 322 HE2 MET 41 HE2 MET 41 -4.421 -13.444 -3.232 323 HE3 MET 41 HE3 MET 41 -5.999 -12.663 -3.118 324 H GLY 42 H GLY 42 1.313 -14.083 -0.784 325 HA2 GLY 42 HA2 GLY 42 3.071 -15.015 -1.951 326 HA3 GLY 42 HA3 GLY 42 1.996 -16.227 -2.627 327 H LYS 43 H LYS 43 0.558 -13.298 -3.074 328 HA LYS 43 HA LYS 43 1.410 -13.017 -5.868 329 HB2 LYS 43 HB2 LYS 43 -0.910 -11.776 -4.302 330 HB3 LYS 43 HB3 LYS 43 -0.615 -11.555 -6.031 331 HG2 LYS 43 HG2 LYS 43 -0.899 -13.986 -6.392 332 HG3 LYS 43 HG3 LYS 43 -1.222 -14.204 -4.665 333 HD2 LYS 43 HD2 LYS 43 -3.269 -12.876 -4.836 334 HD3 LYS 43 HD3 LYS 43 -2.909 -12.467 -6.519 335 HE2 LYS 43 HE2 LYS 43 -3.102 -14.889 -7.105 336 HE3 LYS 43 HE3 LYS 43 -3.549 -15.233 -5.433 337 HZ1 LYS 43 HZ1 LYS 43 -5.493 -13.861 -5.694 338 HZ2 LYS 43 HZ2 LYS 43 -5.474 -15.060 -6.881 339 HZ3 LYS 43 HZ3 LYS 43 -5.064 -13.466 -7.278 340 H VAL 44 H VAL 44 3.423 -12.412 -4.578 341 HA VAL 44 HA VAL 44 3.703 -9.976 -3.194 342 HB VAL 44 HB VAL 44 5.839 -11.714 -4.519 343 HG11 VAL 44 HG11 VAL 44 6.731 -9.504 -3.926 344 HG12 VAL 44 HG12 VAL 44 7.412 -10.751 -2.881 345 HG13 VAL 44 HG13 VAL 44 6.136 -9.692 -2.274 346 HG21 VAL 44 HG21 VAL 44 4.458 -13.016 -2.932 347 HG22 VAL 44 HG22 VAL 44 4.785 -11.832 -1.665 348 HG23 VAL 44 HG23 VAL 44 6.102 -12.809 -2.320 349 H LYS 45 H LYS 45 3.830 -10.783 -6.608 350 HA LYS 45 HA LYS 45 5.234 -8.536 -7.621 351 HB2 LYS 45 HB2 LYS 45 3.053 -10.224 -8.922 352 HB3 LYS 45 HB3 LYS 45 4.047 -9.051 -9.787 353 HG2 LYS 45 HG2 LYS 45 5.015 -11.579 -8.415 354 HG3 LYS 45 HG3 LYS 45 4.886 -11.302 -10.156 355 HD2 LYS 45 HD2 LYS 45 6.572 -9.434 -9.914 356 HD3 LYS 45 HD3 LYS 45 6.759 -9.882 -8.216 357 HE2 LYS 45 HE2 LYS 45 8.565 -10.846 -9.548 358 HE3 LYS 45 HE3 LYS 45 7.537 -12.129 -8.914 359 HZ1 LYS 45 HZ1 LYS 45 8.064 -12.572 -11.187 360 HZ2 LYS 45 HZ2 LYS 45 7.526 -11.048 -11.678 361 HZ3 LYS 45 HZ3 LYS 45 6.422 -12.186 -11.097 362 H GLU 46 H GLU 46 1.722 -9.118 -7.310 363 HA GLU 46 HA GLU 46 0.836 -6.521 -8.017 364 HB2 GLU 46 HB2 GLU 46 -0.534 -8.650 -6.328 365 HB3 GLU 46 HB3 GLU 46 -1.328 -7.176 -6.883 366 HG2 GLU 46 HG2 GLU 46 -1.089 -7.848 -9.207 367 HG3 GLU 46 HG3 GLU 46 -0.136 -9.259 -8.745 368 H ALA 47 H ALA 47 1.845 -7.934 -4.952 369 HA ALA 47 HA ALA 47 1.111 -5.965 -3.115 370 HB1 ALA 47 HB1 ALA 47 2.921 -6.837 -1.705 371 HB2 ALA 47 HB2 ALA 47 3.629 -7.662 -3.095 372 HB3 ALA 47 HB3 ALA 47 2.053 -8.162 -2.484 373 H ILE 48 H ILE 48 4.118 -6.317 -4.973 374 HA ILE 48 HA ILE 48 5.510 -4.022 -4.205 375 HB ILE 48 HB ILE 48 5.540 -5.635 -6.792 376 HG12 ILE 48 HG12 ILE 48 7.553 -5.576 -4.506 377 HG13 ILE 48 HG13 ILE 48 6.274 -6.771 -4.666 378 HG21 ILE 48 HG21 ILE 48 7.696 -4.581 -7.385 379 HG22 ILE 48 HG22 ILE 48 7.529 -3.476 -6.021 380 HG23 ILE 48 HG23 ILE 48 6.383 -3.403 -7.360 381 HD11 ILE 48 HD11 ILE 48 8.557 -6.365 -6.590 382 HD12 ILE 48 HD12 ILE 48 7.265 -7.558 -6.752 383 HD13 ILE 48 HD13 ILE 48 8.391 -7.656 -5.400 384 H GLU 49 H GLU 49 3.235 -4.524 -6.915 385 HA GLU 49 HA GLU 49 3.317 -2.038 -8.160 386 HB2 GLU 49 HB2 GLU 49 0.892 -3.854 -7.771 387 HB3 GLU 49 HB3 GLU 49 0.975 -2.526 -8.926 388 HG2 GLU 49 HG2 GLU 49 2.704 -5.015 -8.971 389 HG3 GLU 49 HG3 GLU 49 1.281 -4.737 -9.974 390 H TYR 50 H TYR 50 1.330 -3.107 -5.416 391 HA TYR 50 HA TYR 50 -0.066 -0.635 -5.079 392 HB2 TYR 50 HB2 TYR 50 0.113 -3.189 -3.477 393 HB3 TYR 50 HB3 TYR 50 -0.689 -1.773 -2.810 394 HD1 TYR 50 HD2 TYR 50 -2.498 -0.645 -4.381 395 HD2 TYR 50 HD1 TYR 50 -1.204 -4.701 -4.759 396 HE1 TYR 50 HE2 TYR 50 -4.552 -1.186 -5.607 397 HE2 TYR 50 HE1 TYR 50 -3.254 -5.242 -5.984 398 HH TYR 50 HH TYR 50 -5.424 -2.821 -7.129 399 H PHE 51 H PHE 51 2.898 -1.979 -3.655 400 HA PHE 51 HA PHE 51 3.100 -0.006 -1.552 401 HB2 PHE 51 HB2 PHE 51 5.262 -1.784 -2.745 402 HB3 PHE 51 HB3 PHE 51 5.458 -0.798 -1.303 403 HD1 PHE 51 HD1 PHE 51 2.797 -1.449 0.064 404 HD2 PHE 51 HD2 PHE 51 5.703 -3.936 -1.877 405 HE1 PHE 51 HE1 PHE 51 2.148 -3.349 1.487 406 HE2 PHE 51 HE2 PHE 51 5.031 -5.826 -0.462 407 HZ PHE 51 HZ PHE 51 3.258 -5.534 1.215 408 H LEU 52 H LEU 52 4.039 -0.202 -4.908 409 HA LEU 52 HA LEU 52 5.916 2.003 -4.903 410 HB2 LEU 52 HB2 LEU 52 4.527 0.489 -7.142 411 HB3 LEU 52 HB3 LEU 52 5.608 1.837 -7.459 412 HG LEU 52 HG LEU 52 6.420 -0.766 -6.088 413 HD11 LEU 52 HD11 LEU 52 5.896 -1.122 -8.453 414 HD12 LEU 52 HD12 LEU 52 7.623 -1.293 -8.150 415 HD13 LEU 52 HD13 LEU 52 7.004 0.177 -8.910 416 HD21 LEU 52 HD21 LEU 52 8.147 1.560 -7.005 417 HD22 LEU 52 HD22 LEU 52 8.727 0.034 -6.326 418 HD23 LEU 52 HD23 LEU 52 7.781 1.136 -5.330 419 H ARG 53 H ARG 53 2.536 1.492 -5.794 420 HA ARG 53 HA ARG 53 1.925 4.186 -6.512 421 HB2 ARG 53 HB2 ARG 53 0.162 1.814 -5.767 422 HB3 ARG 53 HB3 ARG 53 -0.501 3.381 -6.231 423 HG2 ARG 53 HG2 ARG 53 0.497 3.223 -8.436 424 HG3 ARG 53 HG3 ARG 53 1.350 1.744 -7.992 425 HD2 ARG 53 HD2 ARG 53 -0.791 0.547 -7.794 426 HD3 ARG 53 HD3 ARG 53 -1.674 2.030 -8.157 427 HE ARG 53 HE ARG 53 -1.354 1.618 -10.365 428 HH11 ARG 53 HH11 ARG 53 1.201 -0.156 -8.700 429 HH12 ARG 53 HH12 ARG 53 1.788 -0.892 -10.148 430 HH21 ARG 53 HH21 ARG 53 -0.551 0.638 -12.243 431 HH22 ARG 53 HH22 ARG 53 0.800 -0.443 -12.153 432 H ALA 54 H ALA 54 1.784 2.332 -3.496 433 HA ALA 54 HA ALA 54 0.407 4.195 -1.869 434 HB1 ALA 54 HB1 ALA 54 0.747 1.858 -1.170 435 HB2 ALA 54 HB2 ALA 54 1.380 2.967 0.048 436 HB3 ALA 54 HB3 ALA 54 2.488 2.130 -1.047 437 H LYS 55 H LYS 55 3.857 3.576 -2.383 438 HA LYS 55 HA LYS 55 4.872 5.586 -0.683 439 HB2 LYS 55 HB2 LYS 55 6.172 3.596 -1.371 440 HB3 LYS 55 HB3 LYS 55 6.195 4.171 -3.035 441 HG2 LYS 55 HG2 LYS 55 7.509 6.135 -2.354 442 HG3 LYS 55 HG3 LYS 55 7.450 5.599 -0.674 443 HD2 LYS 55 HD2 LYS 55 8.788 3.624 -1.215 444 HD3 LYS 55 HD3 LYS 55 8.754 4.039 -2.934 445 HE2 LYS 55 HE2 LYS 55 10.092 5.621 -0.710 446 HE3 LYS 55 HE3 LYS 55 10.894 4.718 -1.999 447 HZ1 LYS 55 HZ1 LYS 55 9.211 7.152 -2.334 448 HZ2 LYS 55 HZ2 LYS 55 9.862 6.247 -3.608 449 HZ3 LYS 55 HZ3 LYS 55 10.890 7.039 -2.526 450 H LYS 56 H LYS 56 4.049 5.509 -4.123 451 HA LYS 56 HA LYS 56 5.042 7.956 -5.008 452 HB2 LYS 56 HB2 LYS 56 4.055 6.321 -6.542 453 HB3 LYS 56 HB3 LYS 56 2.481 6.500 -5.778 454 HG2 LYS 56 HG2 LYS 56 2.495 8.926 -6.559 455 HG3 LYS 56 HG3 LYS 56 3.937 8.530 -7.502 456 HD2 LYS 56 HD2 LYS 56 2.665 6.848 -8.778 457 HD3 LYS 56 HD3 LYS 56 1.236 7.144 -7.785 458 HE2 LYS 56 HE2 LYS 56 1.205 9.500 -8.640 459 HE3 LYS 56 HE3 LYS 56 2.548 9.095 -9.709 460 HZ1 LYS 56 HZ1 LYS 56 0.469 8.961 -10.886 461 HZ2 LYS 56 HZ2 LYS 56 -0.164 7.884 -9.748 462 HZ3 LYS 56 HZ3 LYS 56 1.119 7.406 -10.736 463 H VAL 57 H VAL 57 1.922 7.217 -3.447 464 HA VAL 57 HA VAL 57 0.939 9.903 -3.514 465 HB VAL 57 HB VAL 57 -0.035 7.625 -1.725 466 HG11 VAL 57 HG11 VAL 57 -0.889 9.847 -1.077 467 HG12 VAL 57 HG12 VAL 57 -2.183 8.840 -1.730 468 HG13 VAL 57 HG13 VAL 57 -1.466 10.115 -2.723 469 HG21 VAL 57 HG21 VAL 57 -0.050 6.936 -4.117 470 HG22 VAL 57 HG22 VAL 57 -1.018 8.350 -4.518 471 HG23 VAL 57 HG23 VAL 57 -1.683 7.091 -3.473 472 H PHE 58 H PHE 58 2.720 7.958 -1.111 473 HA PHE 58 HA PHE 58 2.679 9.816 1.043 474 HB2 PHE 58 HB2 PHE 58 4.622 7.579 0.357 475 HB3 PHE 58 HB3 PHE 58 4.832 8.586 1.785 476 HD1 PHE 58 HD2 PHE 58 2.362 8.850 3.098 477 HD2 PHE 58 HD1 PHE 58 3.764 5.462 0.883 478 HE1 PHE 58 HE2 PHE 58 0.934 7.364 4.439 479 HE2 PHE 58 HE1 PHE 58 2.336 3.993 2.231 480 HZ PHE 58 HZ PHE 58 0.926 4.939 4.010 481 H ASP 59 H ASP 59 4.844 9.463 -1.747 482 HA ASP 59 HA ASP 59 6.767 11.427 -0.951 483 HB2 ASP 59 HB2 ASP 59 6.155 10.310 -3.722 484 HB3 ASP 59 HB3 ASP 59 7.513 11.370 -3.364 485 H ALA 60 H ALA 60 3.757 11.474 -2.759 486 HA ALA 60 HA ALA 60 3.788 14.172 -3.652 487 HB1 ALA 60 HB1 ALA 60 1.346 13.875 -3.963 488 HB2 ALA 60 HB2 ALA 60 1.414 12.365 -3.047 489 HB3 ALA 60 HB3 ALA 60 2.250 12.494 -4.596 490 H GLU 61 H GLU 61 2.725 12.618 -0.669 491 HA GLU 61 HA GLU 61 1.679 15.011 0.567 492 HB2 GLU 61 HB2 GLU 61 2.310 12.249 1.693 493 HB3 GLU 61 HB3 GLU 61 1.502 13.527 2.598 494 HG2 GLU 61 HG2 GLU 61 0.442 12.250 0.058 495 HG3 GLU 61 HG3 GLU 61 -0.051 11.818 1.694 496 H HIS 62 H HIS 62 4.796 13.741 0.116 497 HA HIS 62 HA HIS 62 6.872 14.237 0.808 498 HB2 HIS 62 HB2 HIS 62 5.712 16.569 2.389 499 HB3 HIS 62 HB3 HIS 62 7.386 16.379 1.882 500 HD1 HIS 62 HD1 HIS 62 4.699 18.396 1.033 501 HD2 HIS 62 HD2 HIS 62 7.199 16.010 -1.267 502 HE1 HIS 62 HE1 HIS 62 4.462 19.232 -1.318 503 HE2 HIS 62 HE2 HIS 62 6.080 17.863 -2.664 504 H ASP 63 H ASP 63 4.948 12.562 2.320 505 HA ASP 63 HA ASP 63 5.959 12.497 5.059 506 HB2 ASP 63 HB2 ASP 63 3.557 12.044 4.626 507 HB3 ASP 63 HB3 ASP 63 3.986 10.699 3.577 508 H THR 64 H THR 64 8.037 11.787 5.104 509 HA THR 64 HA THR 64 9.112 9.842 3.287 510 HB THR 64 HB THR 64 10.534 11.668 4.089 511 HG1 THR 64 HG1 THR 64 12.291 10.196 4.982 512 HG21 THR 64 HG21 THR 64 9.648 11.950 6.377 513 HG22 THR 64 HG22 THR 64 11.399 11.739 6.398 514 HG23 THR 64 HG23 THR 64 10.345 10.395 6.844 515 H ASP 65 H ASP 65 7.708 9.718 6.489 516 HA ASP 65 HA ASP 65 8.895 7.343 7.473 517 HB2 ASP 65 HB2 ASP 65 7.724 8.997 8.929 518 HB3 ASP 65 HB3 ASP 65 6.182 8.563 8.195 519 H GLY 66 H GLY 66 5.804 7.967 5.835 520 HA2 GLY 66 HA2 GLY 66 4.983 5.241 5.638 521 HA3 GLY 66 HA3 GLY 66 4.287 6.608 4.785 522 H ALA 67 H ALA 67 6.759 7.446 3.503 523 HA ALA 67 HA ALA 67 6.869 5.831 1.188 524 HB1 ALA 67 HB1 ALA 67 8.951 7.781 2.236 525 HB2 ALA 67 HB2 ALA 67 7.560 8.194 1.228 526 HB3 ALA 67 HB3 ALA 67 8.848 7.170 0.583 527 H ARG 68 H ARG 68 8.876 5.890 4.113 528 HA ARG 68 HA ARG 68 10.690 3.800 3.367 529 HB2 ARG 68 HB2 ARG 68 10.006 5.045 6.064 530 HB3 ARG 68 HB3 ARG 68 11.235 3.796 5.868 531 HG2 ARG 68 HG2 ARG 68 12.592 5.250 4.484 532 HG3 ARG 68 HG3 ARG 68 11.329 6.484 4.458 533 HD2 ARG 68 HD2 ARG 68 11.602 6.871 6.854 534 HD3 ARG 68 HD3 ARG 68 12.766 5.545 6.968 535 HE ARG 68 HE ARG 68 13.876 7.195 5.121 536 HH11 ARG 68 HH11 ARG 68 12.710 7.796 8.390 537 HH12 ARG 68 HH12 ARG 68 13.854 9.069 8.687 538 HH21 ARG 68 HH21 ARG 68 15.412 8.807 5.547 539 HH22 ARG 68 HH22 ARG 68 15.391 9.644 7.068 540 H ARG 69 H ARG 69 7.606 3.958 5.058 541 HA ARG 69 HA ARG 69 7.501 1.419 6.264 542 HB2 ARG 69 HB2 ARG 69 5.954 3.492 6.555 543 HB3 ARG 69 HB3 ARG 69 5.104 2.927 5.129 544 HG2 ARG 69 HG2 ARG 69 3.881 2.253 7.090 545 HG3 ARG 69 HG3 ARG 69 4.566 0.810 6.343 546 HD2 ARG 69 HD2 ARG 69 4.773 0.795 8.817 547 HD3 ARG 69 HD3 ARG 69 6.345 0.739 8.009 548 HE ARG 69 HE ARG 69 5.466 3.409 8.697 549 HH11 ARG 69 HH11 ARG 69 7.163 0.576 9.931 550 HH12 ARG 69 HH12 ARG 69 8.045 1.475 11.121 551 HH21 ARG 69 HH21 ARG 69 6.674 4.590 10.222 552 HH22 ARG 69 HH22 ARG 69 7.770 3.759 11.285 553 H ALA 70 H ALA 70 6.347 2.575 3.113 554 HA ALA 70 HA ALA 70 5.509 0.104 2.022 555 HB1 ALA 70 HB1 ALA 70 6.353 2.658 0.620 556 HB2 ALA 70 HB2 ALA 70 4.723 2.269 1.173 557 HB3 ALA 70 HB3 ALA 70 5.463 1.321 -0.121 558 H ALA 71 H ALA 71 8.594 1.860 2.015 559 HA ALA 71 HA ALA 71 9.920 0.282 0.050 560 HB1 ALA 71 HB1 ALA 71 11.122 2.076 2.181 561 HB2 ALA 71 HB2 ALA 71 10.585 2.588 0.579 562 HB3 ALA 71 HB3 ALA 71 11.943 1.472 0.735 563 H LYS 72 H LYS 72 9.547 -0.125 3.528 564 HA LYS 72 HA LYS 72 11.656 -2.075 3.849 565 HB2 LYS 72 HB2 LYS 72 9.581 -0.844 5.620 566 HB3 LYS 72 HB3 LYS 72 10.015 -2.482 6.048 567 HG2 LYS 72 HG2 LYS 72 11.319 -1.064 7.407 568 HG3 LYS 72 HG3 LYS 72 12.415 -1.745 6.212 569 HD2 LYS 72 HD2 LYS 72 11.202 1.008 5.835 570 HD3 LYS 72 HD3 LYS 72 12.614 0.779 6.858 571 HE2 LYS 72 HE2 LYS 72 12.460 0.080 3.908 572 HE3 LYS 72 HE3 LYS 72 13.221 1.517 4.583 573 HZ1 LYS 72 HZ1 LYS 72 14.835 -0.212 4.079 574 HZ2 LYS 72 HZ2 LYS 72 14.059 -1.279 5.130 575 HZ3 LYS 72 HZ3 LYS 72 14.800 0.110 5.735 576 H SER 73 H SER 73 8.146 -2.134 3.422 577 HA SER 73 HA SER 73 7.813 -4.963 3.388 578 HB2 SER 73 HB2 SER 73 6.059 -2.748 2.245 579 HB3 SER 73 HB3 SER 73 5.563 -4.428 2.474 580 HG SER 73 HG SER 73 5.904 -2.404 4.338 581 H LEU 74 H LEU 74 8.611 -2.560 0.949 582 HA LEU 74 HA LEU 74 8.488 -4.230 -1.352 583 HB2 LEU 74 HB2 LEU 74 9.765 -1.569 -0.733 584 HB3 LEU 74 HB3 LEU 74 10.256 -2.401 -2.198 585 HG LEU 74 HG LEU 74 7.375 -1.691 -1.567 586 HD11 LEU 74 HD11 LEU 74 8.678 0.371 -1.815 587 HD12 LEU 74 HD12 LEU 74 7.550 0.138 -3.151 588 HD13 LEU 74 HD13 LEU 74 9.271 -0.190 -3.381 589 HD21 LEU 74 HD21 LEU 74 8.692 -2.646 -4.129 590 HD22 LEU 74 HD22 LEU 74 7.002 -2.156 -3.957 591 HD23 LEU 74 HD23 LEU 74 7.597 -3.574 -3.098 592 H SER 75 H SER 75 11.053 -3.371 0.942 593 HA SER 75 HA SER 75 13.241 -4.533 -0.381 594 HB2 SER 75 HB2 SER 75 13.421 -2.927 1.517 595 HB3 SER 75 HB3 SER 75 12.810 -4.157 2.620 596 HG SER 75 HG SER 75 14.808 -4.716 2.810 597 H GLU 76 H GLU 76 10.997 -5.881 2.071 598 HA GLU 76 HA GLU 76 11.971 -8.535 2.076 599 HB2 GLU 76 HB2 GLU 76 9.229 -7.388 2.650 600 HB3 GLU 76 HB3 GLU 76 9.556 -9.115 2.768 601 HG2 GLU 76 HG2 GLU 76 11.352 -8.569 4.450 602 HG3 GLU 76 HG3 GLU 76 10.763 -6.898 4.431 603 H ALA 77 H ALA 77 9.529 -6.891 0.097 604 HA ALA 77 HA ALA 77 8.319 -9.098 -1.104 605 HB1 ALA 77 HB1 ALA 77 8.618 -6.296 -2.253 606 HB2 ALA 77 HB2 ALA 77 7.366 -6.816 -1.124 607 HB3 ALA 77 HB3 ALA 77 7.427 -7.505 -2.745 608 H TYR 78 H TYR 78 11.048 -7.118 -2.244 609 HA TYR 78 HA TYR 78 11.482 -8.447 -4.701 610 HB2 TYR 78 HB2 TYR 78 13.291 -6.686 -3.011 611 HB3 TYR 78 HB3 TYR 78 13.718 -7.234 -4.621 612 HD1 TYR 78 HD2 TYR 78 11.382 -6.862 -6.255 613 HD2 TYR 78 HD1 TYR 78 12.760 -4.382 -3.055 614 HE1 TYR 78 HE2 TYR 78 10.193 -4.944 -7.218 615 HE2 TYR 78 HE1 TYR 78 11.570 -2.468 -4.022 616 HH TYR 78 HH TYR 78 10.641 -1.720 -6.124 617 H GLN 79 H GLN 79 12.709 -9.012 -1.423 618 HA GLN 79 HA GLN 79 14.721 -10.923 -1.967 619 HB2 GLN 79 HB2 GLN 79 12.915 -10.614 0.465 620 HB3 GLN 79 HB3 GLN 79 14.295 -11.701 0.412 621 HG2 GLN 79 HG2 GLN 79 15.824 -9.842 0.182 622 HG3 GLN 79 HG3 GLN 79 14.488 -8.703 0.042 623 HE21 GLN 79 HE21 GLN 79 15.079 -7.482 1.833 624 HE22 GLN 79 HE22 GLN 79 14.995 -8.074 3.453 625 H LYS 80 H LYS 80 11.240 -11.266 -1.378 626 HA LYS 80 HA LYS 80 11.150 -14.129 -1.470 627 HB2 LYS 80 HB2 LYS 80 8.814 -12.196 -1.843 628 HB3 LYS 80 HB3 LYS 80 8.724 -13.884 -1.337 629 HG2 LYS 80 HG2 LYS 80 9.889 -13.306 0.783 630 HG3 LYS 80 HG3 LYS 80 9.969 -11.621 0.272 631 HD2 LYS 80 HD2 LYS 80 7.350 -11.799 0.120 632 HD3 LYS 80 HD3 LYS 80 7.554 -13.242 1.115 633 HE2 LYS 80 HE2 LYS 80 8.365 -10.399 1.844 634 HE3 LYS 80 HE3 LYS 80 7.029 -11.317 2.528 635 HZ1 LYS 80 HZ1 LYS 80 9.914 -11.964 2.839 636 HZ2 LYS 80 HZ2 LYS 80 8.637 -12.848 3.504 637 HZ3 LYS 80 HZ3 LYS 80 8.923 -11.260 4.016 638 H VAL 81 H VAL 81 10.655 -11.529 -3.784 639 HA VAL 81 HA VAL 81 9.533 -12.947 -5.949 640 HB VAL 81 HB VAL 81 10.926 -10.266 -5.670 641 HG11 VAL 81 HG11 VAL 81 11.692 -11.011 -7.885 642 HG12 VAL 81 HG12 VAL 81 10.497 -9.723 -8.061 643 HG13 VAL 81 HG13 VAL 81 10.034 -11.402 -8.346 644 HG21 VAL 81 HG21 VAL 81 8.586 -10.437 -4.961 645 HG22 VAL 81 HG22 VAL 81 8.127 -11.063 -6.544 646 HG23 VAL 81 HG23 VAL 81 8.708 -9.406 -6.389 647 H GLU 82 H GLU 82 12.901 -11.883 -5.412 648 HA GLU 82 HA GLU 82 13.948 -13.097 -7.758 649 HB2 GLU 82 HB2 GLU 82 15.326 -12.061 -5.246 650 HB3 GLU 82 HB3 GLU 82 16.184 -12.561 -6.705 651 HG2 GLU 82 HG2 GLU 82 15.137 -10.781 -8.000 652 HG3 GLU 82 HG3 GLU 82 14.108 -10.340 -6.635 653 H GLY 83 H GLY 83 13.862 -14.109 -4.329 654 HA2 GLY 83 HA2 GLY 83 13.192 -16.601 -4.346 655 HA3 GLY 83 HA3 GLY 83 14.772 -16.830 -5.082 656 H SER 84 H SER 84 16.645 -16.283 -3.857 657 HA SER 84 HA SER 84 16.432 -17.195 -1.135 658 HB2 SER 84 HB2 SER 84 18.979 -17.108 -1.268 659 HB3 SER 84 HB3 SER 84 18.198 -18.133 -2.471 660 HG SER 84 HG SER 84 18.665 -15.466 -3.165 661 H GLY 85 H GLY 85 15.216 -15.295 -0.403 662 HA2 GLY 85 HA2 GLY 85 16.928 -13.009 0.406 663 HA3 GLY 85 HA3 GLY 85 15.170 -13.042 0.396 664 H ASP 86 H ASP 86 16.159 -12.160 2.657 665 HA ASP 86 HA ASP 86 16.647 -14.203 4.642 666 HB2 ASP 86 HB2 ASP 86 15.900 -11.254 4.940 667 HB3 ASP 86 HB3 ASP 86 16.307 -12.305 6.292 668 H LYS 87 H LYS 87 15.177 -14.421 6.584 669 HA LYS 87 HA LYS 87 12.392 -14.824 5.775 670 HB2 LYS 87 HB2 LYS 87 13.851 -15.529 8.361 671 HB3 LYS 87 HB3 LYS 87 12.165 -15.914 8.026 672 HG2 LYS 87 HG2 LYS 87 12.954 -17.276 6.044 673 HG3 LYS 87 HG3 LYS 87 14.612 -17.010 6.592 674 HD2 LYS 87 HD2 LYS 87 13.796 -19.210 7.347 675 HD3 LYS 87 HD3 LYS 87 14.081 -18.156 8.736 676 HE2 LYS 87 HE2 LYS 87 11.664 -17.695 8.891 677 HE3 LYS 87 HE3 LYS 87 11.370 -18.689 7.463 678 HZ1 LYS 87 HZ1 LYS 87 10.888 -19.908 9.463 679 HZ2 LYS 87 HZ2 LYS 87 12.444 -19.640 10.060 680 HZ3 LYS 87 HZ3 LYS 87 12.220 -20.598 8.688 681 H GLY 88 H GLY 88 12.694 -12.279 5.575 682 HA2 GLY 88 HA2 GLY 88 12.482 -10.629 7.861 683 HA3 GLY 88 HA3 GLY 88 12.061 -10.198 6.209 684 H LYS 89 H LYS 89 10.755 -9.850 8.933 685 HA LYS 89 HA LYS 89 8.051 -9.903 8.029 686 HB2 LYS 89 HB2 LYS 89 7.160 -11.357 9.912 687 HB3 LYS 89 HB3 LYS 89 8.061 -12.248 8.690 688 HG2 LYS 89 HG2 LYS 89 10.001 -12.410 10.147 689 HG3 LYS 89 HG3 LYS 89 9.238 -11.364 11.346 690 HD2 LYS 89 HD2 LYS 89 7.456 -13.126 11.645 691 HD3 LYS 89 HD3 LYS 89 8.376 -14.176 10.561 692 HE2 LYS 89 HE2 LYS 89 10.291 -14.086 12.121 693 HE3 LYS 89 HE3 LYS 89 9.360 -13.047 13.204 694 HZ1 LYS 89 HZ1 LYS 89 8.643 -15.819 12.436 695 HZ2 LYS 89 HZ2 LYS 89 7.778 -14.831 13.499 696 HZ3 LYS 89 HZ3 LYS 89 9.336 -15.355 13.907 697 H ILE 90 H ILE 90 8.884 -7.719 8.393 698 HA ILE 90 HA ILE 90 9.571 -6.592 10.876 699 HB ILE 90 HB ILE 90 8.930 -4.383 9.849 700 HG12 ILE 90 HG12 ILE 90 7.831 -6.163 7.619 701 HG13 ILE 90 HG13 ILE 90 6.945 -4.987 8.576 702 HG21 ILE 90 HG21 ILE 90 11.159 -5.351 9.427 703 HG22 ILE 90 HG22 ILE 90 10.601 -4.419 8.040 704 HG23 ILE 90 HG23 ILE 90 10.538 -6.184 7.998 705 HD11 ILE 90 HD11 ILE 90 9.024 -4.393 6.471 706 HD12 ILE 90 HD12 ILE 90 8.209 -3.182 7.465 707 HD13 ILE 90 HD13 ILE 90 7.278 -4.175 6.349 708 H PHE 91 H PHE 91 6.505 -7.611 9.705 709 HA PHE 91 HA PHE 91 4.898 -6.086 11.589 710 HB2 PHE 91 HB2 PHE 91 4.064 -8.374 9.749 711 HB3 PHE 91 HB3 PHE 91 2.992 -7.232 10.564 712 HD1 PHE 91 HD1 PHE 91 3.452 -4.674 10.034 713 HD2 PHE 91 HD2 PHE 91 4.691 -7.916 7.528 714 HE1 PHE 91 HE1 PHE 91 3.694 -3.140 8.141 715 HE2 PHE 91 HE2 PHE 91 4.926 -6.365 5.646 716 HZ PHE 91 HZ PHE 91 4.435 -3.978 5.955 717 H GLN 92 H GLN 92 5.683 -6.767 13.600 718 HA GLN 92 HA GLN 92 5.057 -9.497 14.500 719 HB2 GLN 92 HB2 GLN 92 6.202 -7.097 16.011 720 HB3 GLN 92 HB3 GLN 92 5.941 -8.695 16.700 721 HG2 GLN 92 HG2 GLN 92 7.619 -9.643 15.177 722 HG3 GLN 92 HG3 GLN 92 7.869 -8.059 14.441 723 HE21 GLN 92 HE21 GLN 92 7.424 -8.550 17.931 724 HE22 GLN 92 HE22 GLN 92 9.042 -8.131 18.366 725 H LYS 93 H LYS 93 2.848 -9.702 14.634 726 HA LYS 93 HA LYS 93 1.047 -7.557 15.111 727 HB2 LYS 93 HB2 LYS 93 0.364 -9.535 13.828 728 HB3 LYS 93 HB3 LYS 93 0.575 -10.560 15.244 729 HG2 LYS 93 HG2 LYS 93 -1.267 -9.410 16.389 730 HG3 LYS 93 HG3 LYS 93 -1.452 -8.304 15.023 731 HD2 LYS 93 HD2 LYS 93 -2.050 -10.249 13.577 732 HD3 LYS 93 HD3 LYS 93 -1.918 -11.315 14.979 733 HE2 LYS 93 HE2 LYS 93 -3.755 -10.130 16.078 734 HE3 LYS 93 HE3 LYS 93 -3.850 -8.982 14.742 735 HZ1 LYS 93 HZ1 LYS 93 -4.470 -10.801 13.283 736 HZ2 LYS 93 HZ2 LYS 93 -5.550 -10.670 14.577 737 HZ3 LYS 93 HZ3 LYS 93 -4.385 -11.896 14.569 738 H GLU 94 H GLU 94 1.262 -6.513 16.986 739 HA GLU 94 HA GLU 94 1.573 -7.823 19.578 740 HB2 GLU 94 HB2 GLU 94 2.704 -5.595 18.664 741 HB3 GLU 94 HB3 GLU 94 1.201 -4.829 19.146 742 HG2 GLU 94 HG2 GLU 94 2.976 -6.400 21.051 743 HG3 GLU 94 HG3 GLU 94 3.149 -4.670 20.783 744 H GLY 95 H GLY 95 0.004 -7.671 21.276 745 HA2 GLY 95 HA2 GLY 95 -2.676 -8.132 20.532 746 HA3 GLY 95 HA3 GLY 95 -2.085 -7.914 22.164 747 H GLU 96 H GLU 96 -1.232 -5.332 22.204 748 HA GLU 96 HA GLU 96 -1.761 -3.172 22.422 749 HB2 GLU 96 HB2 GLU 96 -1.766 -3.172 19.967 750 HB3 GLU 96 HB3 GLU 96 -3.457 -3.634 19.947 751 HG2 GLU 96 HG2 GLU 96 -3.152 -1.252 19.412 752 HG3 GLU 96 HG3 GLU 96 -4.116 -1.480 20.871 753 H SER 97 H SER 97 -5.055 -3.994 21.235 754 HA SER 97 HA SER 97 -6.136 -2.860 23.713 755 HB2 SER 97 HB2 SER 97 -8.322 -2.876 22.467 756 HB3 SER 97 HB3 SER 97 -7.059 -1.934 21.671 757 HG SER 97 HG SER 97 -7.814 -4.597 21.001 758 H ILE 98 H ILE 98 -5.590 -4.609 25.084 759 HA ILE 98 HA ILE 98 -7.218 -7.059 24.739 760 HB ILE 98 HB ILE 98 -5.704 -8.144 26.405 761 HG12 ILE 98 HG12 ILE 98 -3.960 -5.641 26.163 762 HG13 ILE 98 HG13 ILE 98 -4.901 -6.064 27.587 763 HG21 ILE 98 HG21 ILE 98 -4.298 -6.985 23.969 764 HG22 ILE 98 HG22 ILE 98 -5.294 -8.443 24.005 765 HG23 ILE 98 HG23 ILE 98 -3.762 -8.400 24.876 766 HD11 ILE 98 HD11 ILE 98 -2.580 -7.651 26.469 767 HD12 ILE 98 HD12 ILE 98 -3.539 -8.080 27.889 768 HD13 ILE 98 HD13 ILE 98 -2.566 -6.611 27.894 769 H LEU 99 H LEU 99 -8.961 -7.236 25.936 770 HA LEU 99 HA LEU 99 -9.764 -5.137 27.730 771 HB2 LEU 99 HB2 LEU 99 -11.167 -7.699 26.855 772 HB3 LEU 99 HB3 LEU 99 -11.898 -6.502 27.907 773 HG LEU 99 HG LEU 99 -11.702 -4.811 26.009 774 HD11 LEU 99 HD11 LEU 99 -11.398 -5.603 23.703 775 HD12 LEU 99 HD12 LEU 99 -10.991 -7.213 24.303 776 HD13 LEU 99 HD13 LEU 99 -9.941 -5.843 24.668 777 HD21 LEU 99 HD21 LEU 99 -13.646 -5.646 24.760 778 HD22 LEU 99 HD22 LEU 99 -13.829 -5.905 26.494 779 HD23 LEU 99 HD23 LEU 99 -13.400 -7.258 25.444 780 H GLU 100 H GLU 100 -8.273 -5.319 29.423 781 HA GLU 100 HA GLU 100 -8.525 -7.633 31.262 782 HB2 GLU 100 HB2 GLU 100 -6.242 -7.338 30.323 783 HB3 GLU 100 HB3 GLU 100 -6.195 -5.680 30.921 784 HG2 GLU 100 HG2 GLU 100 -6.397 -6.573 33.265 785 HG3 GLU 100 HG3 GLU 100 -6.312 -8.209 32.613 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -12.030 -15.961 9.341 2 H2 GLY 1 H2 GLY 1 -12.679 -16.238 10.877 3 H3 GLY 1 H3 GLY 1 -11.524 -15.022 10.655 4 HA2 GLY 1 HA2 GLY 1 -14.245 -15.050 9.480 5 HA3 GLY 1 HA3 GLY 1 -13.754 -14.100 10.878 6 H GLY 2 H GLY 2 -13.341 -14.560 7.391 7 HA2 GLY 2 HA2 GLY 2 -13.151 -12.841 5.801 8 HA3 GLY 2 HA3 GLY 2 -12.647 -11.724 7.057 9 H SER 3 H SER 3 -11.628 -13.734 4.543 10 HA SER 3 HA SER 3 -8.943 -14.313 5.276 11 HB2 SER 3 HB2 SER 3 -8.681 -14.757 2.807 12 HB3 SER 3 HB3 SER 3 -10.066 -15.584 3.514 13 HG SER 3 HG SER 3 -10.518 -14.485 1.499 14 HA PRO 4 HA PRO 4 -6.512 -10.538 4.226 15 HB2 PRO 4 HB2 PRO 4 -5.330 -12.282 2.041 16 HB3 PRO 4 HB3 PRO 4 -4.512 -11.172 3.167 17 HG2 PRO 4 HG2 PRO 4 -4.475 -13.787 3.603 18 HG3 PRO 4 HG3 PRO 4 -4.658 -12.646 4.957 19 HD2 PRO 4 HD2 PRO 4 -6.701 -14.425 3.699 20 HD3 PRO 4 HD3 PRO 4 -6.593 -13.844 5.370 21 H ASP 5 H ASP 5 -7.927 -12.431 1.571 22 HA ASP 5 HA ASP 5 -8.132 -10.451 -0.422 23 HB2 ASP 5 HB2 ASP 5 -8.438 -12.876 -0.844 24 HB3 ASP 5 HB3 ASP 5 -9.926 -12.874 0.101 25 H GLU 6 H GLU 6 -10.459 -11.457 2.109 26 HA GLU 6 HA GLU 6 -12.488 -9.563 1.354 27 HB2 GLU 6 HB2 GLU 6 -12.961 -11.738 2.565 28 HB3 GLU 6 HB3 GLU 6 -12.251 -11.036 4.019 29 HG2 GLU 6 HG2 GLU 6 -13.960 -9.217 3.926 30 HG3 GLU 6 HG3 GLU 6 -14.701 -10.012 2.539 31 H ASN 7 H ASN 7 -9.725 -9.488 3.502 32 HA ASN 7 HA ASN 7 -10.419 -7.205 5.055 33 HB2 ASN 7 HB2 ASN 7 -7.641 -8.265 4.346 34 HB3 ASN 7 HB3 ASN 7 -7.983 -7.052 5.580 35 HD21 ASN 7 HD21 ASN 7 -6.809 -9.785 5.750 36 HD22 ASN 7 HD22 ASN 7 -7.753 -10.605 6.936 37 H ILE 8 H ILE 8 -8.688 -7.650 2.013 38 HA ILE 8 HA ILE 8 -7.978 -5.047 1.337 39 HB ILE 8 HB ILE 8 -8.904 -7.370 -0.408 40 HG12 ILE 8 HG12 ILE 8 -6.076 -6.302 0.049 41 HG13 ILE 8 HG13 ILE 8 -6.781 -7.623 0.975 42 HG21 ILE 8 HG21 ILE 8 -7.893 -6.218 -2.364 43 HG22 ILE 8 HG22 ILE 8 -7.643 -4.777 -1.374 44 HG23 ILE 8 HG23 ILE 8 -9.279 -5.343 -1.715 45 HD11 ILE 8 HD11 ILE 8 -5.338 -8.467 -0.748 46 HD12 ILE 8 HD12 ILE 8 -6.258 -7.610 -1.984 47 HD13 ILE 8 HD13 ILE 8 -7.009 -8.928 -1.080 48 H ALA 9 H ALA 9 -11.116 -6.674 1.065 49 HA ALA 9 HA ALA 9 -12.524 -4.736 -0.416 50 HB1 ALA 9 HB1 ALA 9 -13.630 -6.687 1.627 51 HB2 ALA 9 HB2 ALA 9 -13.349 -7.033 -0.079 52 HB3 ALA 9 HB3 ALA 9 -14.566 -5.842 0.397 53 H LYS 10 H LYS 10 -11.981 -5.053 3.106 54 HA LYS 10 HA LYS 10 -13.510 -2.812 3.983 55 HB2 LYS 10 HB2 LYS 10 -11.120 -4.287 5.143 56 HB3 LYS 10 HB3 LYS 10 -11.648 -2.789 5.893 57 HG2 LYS 10 HG2 LYS 10 -12.580 -4.630 7.115 58 HG3 LYS 10 HG3 LYS 10 -13.889 -3.798 6.276 59 HD2 LYS 10 HD2 LYS 10 -13.846 -5.575 4.520 60 HD3 LYS 10 HD3 LYS 10 -12.588 -6.417 5.431 61 HE2 LYS 10 HE2 LYS 10 -14.136 -6.706 7.332 62 HE3 LYS 10 HE3 LYS 10 -15.391 -5.816 6.464 63 HZ1 LYS 10 HZ1 LYS 10 -14.205 -8.420 5.653 64 HZ2 LYS 10 HZ2 LYS 10 -15.348 -7.557 4.758 65 HZ3 LYS 10 HZ3 LYS 10 -15.761 -8.175 6.272 66 H PHE 11 H PHE 11 -10.153 -3.168 2.953 67 HA PHE 11 HA PHE 11 -9.340 -0.489 3.513 68 HB2 PHE 11 HB2 PHE 11 -7.900 -2.469 1.722 69 HB3 PHE 11 HB3 PHE 11 -7.201 -1.092 2.566 70 HD1 PHE 11 HD2 PHE 11 -8.860 -1.854 5.249 71 HD2 PHE 11 HD1 PHE 11 -6.184 -3.962 2.652 72 HE1 PHE 11 HE2 PHE 11 -8.249 -3.368 7.090 73 HE2 PHE 11 HE1 PHE 11 -5.585 -5.463 4.504 74 HZ PHE 11 HZ PHE 11 -6.615 -5.175 6.725 75 H GLU 12 H GLU 12 -10.806 -2.007 0.768 76 HA GLU 12 HA GLU 12 -10.343 -0.074 -1.236 77 HB2 GLU 12 HB2 GLU 12 -12.622 -2.039 -0.781 78 HB3 GLU 12 HB3 GLU 12 -12.620 -0.941 -2.158 79 HG2 GLU 12 HG2 GLU 12 -10.436 -2.962 -1.573 80 HG3 GLU 12 HG3 GLU 12 -11.772 -3.220 -2.692 81 H LYS 13 H LYS 13 -12.882 -0.325 1.268 82 HA LYS 13 HA LYS 13 -14.226 2.116 0.630 83 HB2 LYS 13 HB2 LYS 13 -14.097 0.437 3.159 84 HB3 LYS 13 HB3 LYS 13 -14.890 2.002 3.180 85 HG2 LYS 13 HG2 LYS 13 -16.591 0.386 2.948 86 HG3 LYS 13 HG3 LYS 13 -16.443 1.163 1.382 87 HD2 LYS 13 HD2 LYS 13 -14.926 -1.396 1.827 88 HD3 LYS 13 HD3 LYS 13 -16.675 -1.500 1.665 89 HE2 LYS 13 HE2 LYS 13 -16.545 -0.411 -0.547 90 HE3 LYS 13 HE3 LYS 13 -14.789 -0.283 -0.387 91 HZ1 LYS 13 HZ1 LYS 13 -15.438 -2.200 -1.720 92 HZ2 LYS 13 HZ2 LYS 13 -16.330 -2.828 -0.431 93 HZ3 LYS 13 HZ3 LYS 13 -14.652 -2.690 -0.307 94 H ALA 14 H ALA 14 -11.464 1.293 2.675 95 HA ALA 14 HA ALA 14 -11.056 3.823 3.873 96 HB1 ALA 14 HB1 ALA 14 -8.969 1.691 3.297 97 HB2 ALA 14 HB2 ALA 14 -10.014 1.757 4.716 98 HB3 ALA 14 HB3 ALA 14 -8.816 3.024 4.446 99 H TYR 15 H TYR 15 -9.975 2.471 0.782 100 HA TYR 15 HA TYR 15 -8.063 4.520 0.172 101 HB2 TYR 15 HB2 TYR 15 -7.860 2.232 -0.764 102 HB3 TYR 15 HB3 TYR 15 -9.363 2.453 -1.659 103 HD1 TYR 15 HD2 TYR 15 -6.043 4.195 -1.217 104 HD2 TYR 15 HD1 TYR 15 -9.139 3.074 -3.953 105 HE1 TYR 15 HE2 TYR 15 -4.766 5.145 -3.055 106 HE2 TYR 15 HE1 TYR 15 -7.841 4.060 -5.799 107 HH TYR 15 HH TYR 15 -6.046 5.832 -6.055 108 H LYS 16 H LYS 16 -11.343 3.774 -0.972 109 HA LYS 16 HA LYS 16 -11.448 5.911 -2.889 110 HB2 LYS 16 HB2 LYS 16 -13.636 4.079 -1.814 111 HB3 LYS 16 HB3 LYS 16 -13.821 5.162 -3.194 112 HG2 LYS 16 HG2 LYS 16 -12.101 3.926 -4.432 113 HG3 LYS 16 HG3 LYS 16 -11.821 2.881 -3.038 114 HD2 LYS 16 HD2 LYS 16 -14.144 2.013 -3.246 115 HD3 LYS 16 HD3 LYS 16 -14.390 3.043 -4.661 116 HE2 LYS 16 HE2 LYS 16 -12.585 1.840 -5.851 117 HE3 LYS 16 HE3 LYS 16 -12.329 0.814 -4.437 118 HZ1 LYS 16 HZ1 LYS 16 -14.643 0.041 -4.693 119 HZ2 LYS 16 HZ2 LYS 16 -13.665 -0.337 -6.020 120 HZ3 LYS 16 HZ3 LYS 16 -14.771 0.938 -6.124 121 H LYS 17 H LYS 17 -12.595 5.483 0.433 122 HA LYS 17 HA LYS 17 -14.011 8.009 0.483 123 HB2 LYS 17 HB2 LYS 17 -14.688 6.102 1.943 124 HB3 LYS 17 HB3 LYS 17 -13.187 6.272 2.849 125 HG2 LYS 17 HG2 LYS 17 -13.845 8.462 3.647 126 HG3 LYS 17 HG3 LYS 17 -15.249 8.482 2.574 127 HD2 LYS 17 HD2 LYS 17 -16.181 6.531 3.837 128 HD3 LYS 17 HD3 LYS 17 -14.817 6.641 4.955 129 HE2 LYS 17 HE2 LYS 17 -16.789 7.741 5.895 130 HE3 LYS 17 HE3 LYS 17 -15.533 8.937 5.573 131 HZ1 LYS 17 HZ1 LYS 17 -17.717 9.703 4.860 132 HZ2 LYS 17 HZ2 LYS 17 -17.868 8.380 3.816 133 HZ3 LYS 17 HZ3 LYS 17 -16.676 9.546 3.536 134 H ALA 18 H ALA 18 -10.775 6.879 1.276 135 HA ALA 18 HA ALA 18 -9.675 9.231 2.420 136 HB1 ALA 18 HB1 ALA 18 -7.525 8.381 1.537 137 HB2 ALA 18 HB2 ALA 18 -8.399 7.190 0.565 138 HB3 ALA 18 HB3 ALA 18 -8.474 7.119 2.324 139 H GLU 19 H GLU 19 -10.287 8.208 -0.908 140 HA GLU 19 HA GLU 19 -8.908 10.250 -2.318 141 HB2 GLU 19 HB2 GLU 19 -9.385 8.026 -3.295 142 HB3 GLU 19 HB3 GLU 19 -11.116 8.336 -3.209 143 HG2 GLU 19 HG2 GLU 19 -10.800 10.239 -4.802 144 HG3 GLU 19 HG3 GLU 19 -9.103 9.779 -4.956 145 H GLU 20 H GLU 20 -12.387 9.818 -1.434 146 HA GLU 20 HA GLU 20 -13.340 12.137 -2.805 147 HB2 GLU 20 HB2 GLU 20 -15.441 11.847 -1.587 148 HB3 GLU 20 HB3 GLU 20 -14.858 10.271 -2.110 149 HG2 GLU 20 HG2 GLU 20 -14.014 9.819 0.151 150 HG3 GLU 20 HG3 GLU 20 -14.526 11.413 0.675 151 H LEU 21 H LEU 21 -11.994 11.600 0.387 152 HA LEU 21 HA LEU 21 -12.429 14.312 1.349 153 HB2 LEU 21 HB2 LEU 21 -10.788 12.001 2.449 154 HB3 LEU 21 HB3 LEU 21 -11.033 13.529 3.283 155 HG LEU 21 HG LEU 21 -13.224 11.538 2.573 156 HD11 LEU 21 HD11 LEU 21 -13.370 11.068 4.979 157 HD12 LEU 21 HD12 LEU 21 -11.986 12.121 5.280 158 HD13 LEU 21 HD13 LEU 21 -11.789 10.647 4.329 159 HD21 LEU 21 HD21 LEU 21 -14.126 13.798 2.561 160 HD22 LEU 21 HD22 LEU 21 -13.428 14.123 4.151 161 HD23 LEU 21 HD23 LEU 21 -14.716 12.927 3.975 162 H ASN 22 H ASN 22 -10.214 12.828 -0.715 163 HA ASN 22 HA ASN 22 -8.472 13.563 -1.939 164 HB2 ASN 22 HB2 ASN 22 -9.853 15.719 -1.956 165 HB3 ASN 22 HB3 ASN 22 -8.866 16.289 -0.622 166 HD21 ASN 22 HD21 ASN 22 -8.058 18.046 -1.787 167 HD22 ASN 22 HD22 ASN 22 -6.964 17.878 -3.116 168 H GLN 23 H GLN 23 -8.148 12.539 0.850 169 HA GLN 23 HA GLN 23 -5.651 13.821 1.773 170 HB2 GLN 23 HB2 GLN 23 -7.470 11.802 3.152 171 HB3 GLN 23 HB3 GLN 23 -5.967 12.429 3.829 172 HG2 GLN 23 HG2 GLN 23 -6.915 14.709 3.819 173 HG3 GLN 23 HG3 GLN 23 -8.424 14.072 3.157 174 HE21 GLN 23 HE21 GLN 23 -9.776 12.832 4.512 175 HE22 GLN 23 HE22 GLN 23 -9.603 12.829 6.223 176 H GLY 24 H GLY 24 -4.036 13.071 0.601 177 HA2 GLY 24 HA2 GLY 24 -3.855 10.567 -0.667 178 HA3 GLY 24 HA3 GLY 24 -2.520 11.685 -0.396 179 H GLU 25 H GLU 25 -2.697 11.687 2.470 180 HA GLU 25 HA GLU 25 -0.904 9.691 3.169 181 HB2 GLU 25 HB2 GLU 25 -1.431 10.291 5.546 182 HB3 GLU 25 HB3 GLU 25 -1.130 11.685 4.519 183 HG2 GLU 25 HG2 GLU 25 -3.537 12.126 4.360 184 HG3 GLU 25 HG3 GLU 25 -3.887 10.702 5.335 185 H LEU 26 H LEU 26 -4.413 9.685 3.468 186 HA LEU 26 HA LEU 26 -4.665 7.186 4.846 187 HB2 LEU 26 HB2 LEU 26 -6.674 8.833 3.271 188 HB3 LEU 26 HB3 LEU 26 -7.096 7.432 4.239 189 HG LEU 26 HG LEU 26 -5.912 10.001 5.370 190 HD11 LEU 26 HD11 LEU 26 -8.158 10.398 4.435 191 HD12 LEU 26 HD12 LEU 26 -8.172 10.507 6.191 192 HD13 LEU 26 HD13 LEU 26 -8.810 9.065 5.394 193 HD21 LEU 26 HD21 LEU 26 -6.560 9.078 7.550 194 HD22 LEU 26 HD22 LEU 26 -5.421 8.011 6.735 195 HD23 LEU 26 HD23 LEU 26 -7.140 7.603 6.766 196 H MET 27 H MET 27 -4.804 8.217 1.453 197 HA MET 27 HA MET 27 -5.660 5.748 0.319 198 HB2 MET 27 HB2 MET 27 -4.073 8.025 -0.950 199 HB3 MET 27 HB3 MET 27 -4.710 6.653 -1.846 200 HG2 MET 27 HG2 MET 27 -7.014 7.338 -0.986 201 HG3 MET 27 HG3 MET 27 -6.254 8.844 -0.469 202 HE1 MET 27 HE1 MET 27 -4.053 8.986 -2.917 203 HE2 MET 27 HE2 MET 27 -4.874 10.407 -2.256 204 HE3 MET 27 HE3 MET 27 -4.890 10.110 -3.994 205 H GLY 28 H GLY 28 -2.467 7.116 0.971 206 HA2 GLY 28 HA2 GLY 28 -0.855 5.088 -0.172 207 HA3 GLY 28 HA3 GLY 28 -0.355 6.225 1.082 208 H ARG 29 H ARG 29 -2.084 5.618 3.134 209 HA ARG 29 HA ARG 29 -1.043 3.352 4.416 210 HB2 ARG 29 HB2 ARG 29 -3.655 4.842 4.865 211 HB3 ARG 29 HB3 ARG 29 -3.121 3.541 5.920 212 HG2 ARG 29 HG2 ARG 29 -1.118 4.856 6.531 213 HG3 ARG 29 HG3 ARG 29 -1.647 6.156 5.465 214 HD2 ARG 29 HD2 ARG 29 -3.682 6.465 6.845 215 HD3 ARG 29 HD3 ARG 29 -3.156 5.154 7.910 216 HE ARG 29 HE ARG 29 -1.229 7.297 7.634 217 HH11 ARG 29 HH11 ARG 29 -4.045 6.236 9.457 218 HH12 ARG 29 HH12 ARG 29 -3.669 7.219 10.834 219 HH21 ARG 29 HH21 ARG 29 -0.734 8.558 9.476 220 HH22 ARG 29 HH22 ARG 29 -1.799 8.531 10.849 221 H ALA 30 H ALA 30 -3.996 3.764 2.516 222 HA ALA 30 HA ALA 30 -5.203 1.258 2.971 223 HB1 ALA 30 HB1 ALA 30 -6.649 1.809 1.058 224 HB2 ALA 30 HB2 ALA 30 -5.544 3.101 0.567 225 HB3 ALA 30 HB3 ALA 30 -6.424 3.221 2.093 226 H LEU 31 H LEU 31 -3.207 2.427 0.267 227 HA LEU 31 HA LEU 31 -3.253 0.107 -1.343 228 HB2 LEU 31 HB2 LEU 31 -1.248 2.381 -1.177 229 HB3 LEU 31 HB3 LEU 31 -1.218 1.154 -2.438 230 HG LEU 31 HG LEU 31 -3.587 2.990 -1.956 231 HD11 LEU 31 HD11 LEU 31 -1.352 3.349 -3.972 232 HD12 LEU 31 HD12 LEU 31 -1.657 4.358 -2.558 233 HD13 LEU 31 HD13 LEU 31 -2.827 4.318 -3.876 234 HD21 LEU 31 HD21 LEU 31 -4.317 2.260 -4.188 235 HD22 LEU 31 HD22 LEU 31 -4.153 0.890 -3.093 236 HD23 LEU 31 HD23 LEU 31 -2.912 1.194 -4.310 237 H TYR 32 H TYR 32 -0.864 1.306 0.971 238 HA TYR 32 HA TYR 32 1.060 -0.711 0.851 239 HB2 TYR 32 HB2 TYR 32 1.406 1.399 2.086 240 HB3 TYR 32 HB3 TYR 32 0.149 0.966 3.239 241 HD1 TYR 32 HD2 TYR 32 3.516 -0.056 1.990 242 HD2 TYR 32 HD1 TYR 32 0.710 -0.316 5.202 243 HE1 TYR 32 HE2 TYR 32 5.206 -1.129 3.394 244 HE2 TYR 32 HE1 TYR 32 2.415 -1.397 6.600 245 HH TYR 32 HH TYR 32 5.706 -1.465 5.756 246 H ASN 33 H ASN 33 -1.879 -0.456 2.774 247 HA ASN 33 HA ASN 33 -1.465 -2.733 4.428 248 HB2 ASN 33 HB2 ASN 33 -2.852 -0.626 4.921 249 HB3 ASN 33 HB3 ASN 33 -4.102 -1.295 3.880 250 HD21 ASN 33 HD21 ASN 33 -5.465 -1.194 5.697 251 HD22 ASN 33 HD22 ASN 33 -5.399 -2.405 6.927 252 H ILE 34 H ILE 34 -3.312 -2.151 1.463 253 HA ILE 34 HA ILE 34 -4.476 -4.745 1.152 254 HB ILE 34 HB ILE 34 -3.853 -2.547 -0.890 255 HG12 ILE 34 HG12 ILE 34 -6.509 -3.442 0.326 256 HG13 ILE 34 HG13 ILE 34 -5.596 -2.026 0.827 257 HG21 ILE 34 HG21 ILE 34 -3.884 -4.686 -2.101 258 HG22 ILE 34 HG22 ILE 34 -5.316 -3.745 -2.502 259 HG23 ILE 34 HG23 ILE 34 -5.441 -5.103 -1.383 260 HD11 ILE 34 HD11 ILE 34 -6.916 -2.468 -1.841 261 HD12 ILE 34 HD12 ILE 34 -5.922 -1.068 -1.425 262 HD13 ILE 34 HD13 ILE 34 -7.427 -1.374 -0.555 263 H GLY 35 H GLY 35 -1.426 -3.253 0.201 264 HA2 GLY 35 HA2 GLY 35 -0.428 -5.220 -1.556 265 HA3 GLY 35 HA3 GLY 35 0.538 -4.052 -0.658 266 H LEU 36 H LEU 36 -0.197 -4.863 1.969 267 HA LEU 36 HA LEU 36 1.584 -7.006 2.493 268 HB2 LEU 36 HB2 LEU 36 -0.640 -5.932 4.274 269 HB3 LEU 36 HB3 LEU 36 0.720 -6.906 4.814 270 HG LEU 36 HG LEU 36 0.906 -4.085 3.684 271 HD11 LEU 36 HD11 LEU 36 1.222 -5.022 6.548 272 HD12 LEU 36 HD12 LEU 36 -0.116 -4.078 5.889 273 HD13 LEU 36 HD13 LEU 36 1.499 -3.382 5.951 274 HD21 LEU 36 HD21 LEU 36 3.133 -5.791 4.847 275 HD22 LEU 36 HD22 LEU 36 3.273 -4.120 4.297 276 HD23 LEU 36 HD23 LEU 36 2.919 -5.399 3.140 277 H GLU 37 H GLU 37 -1.912 -6.853 2.074 278 HA GLU 37 HA GLU 37 -2.466 -9.556 2.833 279 HB2 GLU 37 HB2 GLU 37 -4.193 -7.665 1.195 280 HB3 GLU 37 HB3 GLU 37 -4.725 -9.120 2.030 281 HG2 GLU 37 HG2 GLU 37 -3.687 -6.592 3.329 282 HG3 GLU 37 HG3 GLU 37 -5.368 -7.117 3.261 283 H LYS 38 H LYS 38 -1.866 -7.905 -0.231 284 HA LYS 38 HA LYS 38 -2.361 -10.103 -1.957 285 HB2 LYS 38 HB2 LYS 38 -0.622 -7.624 -2.321 286 HB3 LYS 38 HB3 LYS 38 -0.884 -8.807 -3.597 287 HG2 LYS 38 HG2 LYS 38 -3.025 -7.101 -2.286 288 HG3 LYS 38 HG3 LYS 38 -2.332 -6.864 -3.895 289 HD2 LYS 38 HD2 LYS 38 -3.206 -9.140 -4.534 290 HD3 LYS 38 HD3 LYS 38 -4.010 -9.225 -2.965 291 HE2 LYS 38 HE2 LYS 38 -5.626 -8.534 -4.591 292 HE3 LYS 38 HE3 LYS 38 -5.271 -7.129 -3.599 293 HZ1 LYS 38 HZ1 LYS 38 -3.795 -6.375 -5.351 294 HZ2 LYS 38 HZ2 LYS 38 -5.361 -6.567 -5.919 295 HZ3 LYS 38 HZ3 LYS 38 -4.180 -7.714 -6.285 296 H ASN 39 H ASN 39 0.485 -8.944 -0.243 297 HA ASN 39 HA ASN 39 2.486 -10.450 -1.522 298 HB2 ASN 39 HB2 ASN 39 2.734 -8.390 0.015 299 HB3 ASN 39 HB3 ASN 39 2.568 -9.483 1.379 300 HD21 ASN 39 HD21 ASN 39 4.649 -8.293 -1.094 301 HD22 ASN 39 HD22 ASN 39 6.076 -9.125 -0.599 302 H LYS 40 H LYS 40 0.581 -11.052 1.429 303 HA LYS 40 HA LYS 40 1.742 -13.637 1.984 304 HB2 LYS 40 HB2 LYS 40 0.151 -13.775 3.831 305 HB3 LYS 40 HB3 LYS 40 0.934 -12.203 3.807 306 HG2 LYS 40 HG2 LYS 40 -1.167 -11.342 2.603 307 HG3 LYS 40 HG3 LYS 40 -1.916 -12.874 3.049 308 HD2 LYS 40 HD2 LYS 40 -0.787 -10.799 4.971 309 HD3 LYS 40 HD3 LYS 40 -2.497 -11.115 4.672 310 HE2 LYS 40 HE2 LYS 40 -2.238 -13.390 5.601 311 HE3 LYS 40 HE3 LYS 40 -0.524 -13.081 5.888 312 HZ1 LYS 40 HZ1 LYS 40 -1.818 -12.780 7.896 313 HZ2 LYS 40 HZ2 LYS 40 -2.779 -11.614 7.139 314 HZ3 LYS 40 HZ3 LYS 40 -1.141 -11.303 7.412 315 H MET 41 H MET 41 -0.947 -12.522 0.055 316 HA MET 41 HA MET 41 -2.196 -15.130 -0.282 317 HB2 MET 41 HB2 MET 41 -2.610 -12.422 -1.582 318 HB3 MET 41 HB3 MET 41 -3.376 -13.856 -2.252 319 HG2 MET 41 HG2 MET 41 -4.625 -14.214 -0.220 320 HG3 MET 41 HG3 MET 41 -3.747 -12.922 0.598 321 HE1 MET 41 HE1 MET 41 -6.669 -12.142 -2.913 322 HE2 MET 41 HE2 MET 41 -6.346 -13.759 -2.284 323 HE3 MET 41 HE3 MET 41 -5.078 -12.871 -3.128 324 H GLY 42 H GLY 42 0.732 -14.060 -1.271 325 HA2 GLY 42 HA2 GLY 42 2.236 -15.175 -2.682 326 HA3 GLY 42 HA3 GLY 42 0.890 -15.967 -3.492 327 H LYS 43 H LYS 43 -0.114 -12.933 -3.430 328 HA LYS 43 HA LYS 43 0.649 -12.324 -6.167 329 HB2 LYS 43 HB2 LYS 43 -1.230 -10.966 -4.192 330 HB3 LYS 43 HB3 LYS 43 -1.051 -10.493 -5.879 331 HG2 LYS 43 HG2 LYS 43 -1.937 -12.643 -6.613 332 HG3 LYS 43 HG3 LYS 43 -2.026 -13.208 -4.942 333 HD2 LYS 43 HD2 LYS 43 -3.825 -11.756 -4.416 334 HD3 LYS 43 HD3 LYS 43 -3.529 -10.722 -5.815 335 HE2 LYS 43 HE2 LYS 43 -4.627 -13.555 -5.899 336 HE3 LYS 43 HE3 LYS 43 -5.554 -12.070 -6.126 337 HZ1 LYS 43 HZ1 LYS 43 -5.039 -12.989 -8.253 338 HZ2 LYS 43 HZ2 LYS 43 -3.393 -13.101 -7.872 339 HZ3 LYS 43 HZ3 LYS 43 -4.112 -11.583 -8.055 340 H VAL 44 H VAL 44 2.935 -12.135 -5.054 341 HA VAL 44 HA VAL 44 3.546 -9.849 -3.454 342 HB VAL 44 HB VAL 44 5.473 -11.656 -4.995 343 HG11 VAL 44 HG11 VAL 44 7.179 -10.916 -3.366 344 HG12 VAL 44 HG12 VAL 44 6.007 -9.835 -2.609 345 HG13 VAL 44 HG13 VAL 44 6.532 -9.547 -4.269 346 HG21 VAL 44 HG21 VAL 44 4.455 -11.916 -2.132 347 HG22 VAL 44 HG22 VAL 44 5.692 -12.930 -2.882 348 HG23 VAL 44 HG23 VAL 44 4.038 -12.970 -3.488 349 H LYS 45 H LYS 45 3.539 -10.498 -6.883 350 HA LYS 45 HA LYS 45 5.141 -8.263 -7.705 351 HB2 LYS 45 HB2 LYS 45 3.215 -10.054 -9.252 352 HB3 LYS 45 HB3 LYS 45 4.119 -8.745 -10.004 353 HG2 LYS 45 HG2 LYS 45 5.308 -10.771 -10.461 354 HG3 LYS 45 HG3 LYS 45 6.253 -9.868 -9.278 355 HD2 LYS 45 HD2 LYS 45 5.338 -11.329 -7.467 356 HD3 LYS 45 HD3 LYS 45 4.447 -12.253 -8.680 357 HE2 LYS 45 HE2 LYS 45 7.473 -11.986 -8.542 358 HE3 LYS 45 HE3 LYS 45 6.546 -13.377 -7.984 359 HZ1 LYS 45 HZ1 LYS 45 5.827 -13.796 -10.206 360 HZ2 LYS 45 HZ2 LYS 45 7.514 -13.676 -10.195 361 HZ3 LYS 45 HZ3 LYS 45 6.580 -12.394 -10.774 362 H GLU 46 H GLU 46 1.641 -8.882 -7.444 363 HA GLU 46 HA GLU 46 0.674 -6.298 -8.119 364 HB2 GLU 46 HB2 GLU 46 -0.461 -8.473 -6.299 365 HB3 GLU 46 HB3 GLU 46 -1.353 -7.012 -6.716 366 HG2 GLU 46 HG2 GLU 46 -1.413 -7.618 -9.053 367 HG3 GLU 46 HG3 GLU 46 -0.299 -8.958 -8.787 368 H ALA 47 H ALA 47 1.764 -7.744 -5.088 369 HA ALA 47 HA ALA 47 1.039 -5.751 -3.260 370 HB1 ALA 47 HB1 ALA 47 1.726 -7.999 -2.571 371 HB2 ALA 47 HB2 ALA 47 2.677 -6.770 -1.737 372 HB3 ALA 47 HB3 ALA 47 3.385 -7.670 -3.082 373 H ILE 48 H ILE 48 4.082 -6.236 -5.037 374 HA ILE 48 HA ILE 48 5.648 -4.114 -4.124 375 HB ILE 48 HB ILE 48 5.508 -5.473 -6.862 376 HG12 ILE 48 HG12 ILE 48 7.559 -5.644 -4.598 377 HG13 ILE 48 HG13 ILE 48 6.338 -6.856 -4.973 378 HG21 ILE 48 HG21 ILE 48 7.582 -3.403 -6.025 379 HG22 ILE 48 HG22 ILE 48 6.367 -3.210 -7.289 380 HG23 ILE 48 HG23 ILE 48 7.654 -4.396 -7.485 381 HD11 ILE 48 HD11 ILE 48 8.645 -6.055 -6.728 382 HD12 ILE 48 HD12 ILE 48 7.420 -7.263 -7.125 383 HD13 ILE 48 HD13 ILE 48 8.511 -7.524 -5.762 384 H GLU 49 H GLU 49 3.345 -4.212 -6.842 385 HA GLU 49 HA GLU 49 3.633 -1.549 -7.708 386 HB2 GLU 49 HB2 GLU 49 1.187 -3.342 -7.985 387 HB3 GLU 49 HB3 GLU 49 1.513 -1.892 -8.932 388 HG2 GLU 49 HG2 GLU 49 3.550 -2.969 -9.848 389 HG3 GLU 49 HG3 GLU 49 3.163 -4.427 -8.937 390 H TYR 50 H TYR 50 1.531 -2.970 -5.247 391 HA TYR 50 HA TYR 50 -0.005 -0.630 -4.674 392 HB2 TYR 50 HB2 TYR 50 0.532 -3.185 -3.136 393 HB3 TYR 50 HB3 TYR 50 -0.353 -1.864 -2.391 394 HD1 TYR 50 HD2 TYR 50 -2.421 -0.931 -3.774 395 HD2 TYR 50 HD1 TYR 50 -0.688 -4.795 -4.337 396 HE1 TYR 50 HE2 TYR 50 -4.513 -1.727 -4.797 397 HE2 TYR 50 HE1 TYR 50 -2.776 -5.582 -5.354 398 HH TYR 50 HH TYR 50 -5.300 -3.498 -6.272 399 H PHE 51 H PHE 51 3.005 -1.945 -3.309 400 HA PHE 51 HA PHE 51 3.284 0.030 -1.248 401 HB2 PHE 51 HB2 PHE 51 5.464 -1.675 -2.509 402 HB3 PHE 51 HB3 PHE 51 5.598 -0.791 -0.994 403 HD1 PHE 51 HD1 PHE 51 2.934 -1.546 0.251 404 HD2 PHE 51 HD2 PHE 51 5.865 -3.885 -1.812 405 HE1 PHE 51 HE1 PHE 51 2.213 -3.549 1.487 406 HE2 PHE 51 HE2 PHE 51 5.124 -5.888 -0.586 407 HZ PHE 51 HZ PHE 51 3.297 -5.719 1.061 408 H LEU 52 H LEU 52 4.186 -0.190 -4.601 409 HA LEU 52 HA LEU 52 6.059 1.977 -4.712 410 HB2 LEU 52 HB2 LEU 52 4.413 0.625 -6.891 411 HB3 LEU 52 HB3 LEU 52 5.564 1.910 -7.224 412 HG LEU 52 HG LEU 52 6.249 -0.826 -6.084 413 HD11 LEU 52 HD11 LEU 52 5.595 -0.937 -8.442 414 HD12 LEU 52 HD12 LEU 52 7.314 -1.264 -8.249 415 HD13 LEU 52 HD13 LEU 52 6.781 0.308 -8.850 416 HD21 LEU 52 HD21 LEU 52 8.123 1.435 -6.848 417 HD22 LEU 52 HD22 LEU 52 8.603 -0.187 -6.340 418 HD23 LEU 52 HD23 LEU 52 7.775 0.879 -5.209 419 H ARG 53 H ARG 53 2.613 1.619 -5.489 420 HA ARG 53 HA ARG 53 2.054 4.315 -6.149 421 HB2 ARG 53 HB2 ARG 53 0.253 2.097 -5.093 422 HB3 ARG 53 HB3 ARG 53 -0.357 3.666 -5.616 423 HG2 ARG 53 HG2 ARG 53 0.394 3.256 -7.896 424 HG3 ARG 53 HG3 ARG 53 1.170 1.745 -7.404 425 HD2 ARG 53 HD2 ARG 53 -0.989 1.315 -8.499 426 HD3 ARG 53 HD3 ARG 53 -1.025 0.792 -6.812 427 HE ARG 53 HE ARG 53 -2.014 3.469 -7.185 428 HH11 ARG 53 HH11 ARG 53 -2.976 0.074 -7.324 429 HH12 ARG 53 HH12 ARG 53 -4.658 0.436 -7.083 430 HH21 ARG 53 HH21 ARG 53 -4.199 3.897 -6.828 431 HH22 ARG 53 HH22 ARG 53 -5.348 2.592 -6.800 432 H ALA 54 H ALA 54 1.724 2.480 -3.118 433 HA ALA 54 HA ALA 54 0.653 4.423 -1.432 434 HB1 ALA 54 HB1 ALA 54 1.556 3.091 0.440 435 HB2 ALA 54 HB2 ALA 54 2.606 2.210 -0.678 436 HB3 ALA 54 HB3 ALA 54 0.856 2.047 -0.800 437 H LYS 55 H LYS 55 4.040 3.593 -2.074 438 HA LYS 55 HA LYS 55 5.228 5.442 -0.287 439 HB2 LYS 55 HB2 LYS 55 6.431 3.448 -1.092 440 HB3 LYS 55 HB3 LYS 55 6.411 4.063 -2.741 441 HG2 LYS 55 HG2 LYS 55 7.815 5.952 -2.061 442 HG3 LYS 55 HG3 LYS 55 7.817 5.371 -0.395 443 HD2 LYS 55 HD2 LYS 55 9.011 3.326 -1.100 444 HD3 LYS 55 HD3 LYS 55 8.960 3.874 -2.782 445 HE2 LYS 55 HE2 LYS 55 10.420 5.221 -0.488 446 HE3 LYS 55 HE3 LYS 55 11.144 4.366 -1.853 447 HZ1 LYS 55 HZ1 LYS 55 9.561 6.879 -1.993 448 HZ2 LYS 55 HZ2 LYS 55 10.152 6.032 -3.333 449 HZ3 LYS 55 HZ3 LYS 55 11.232 6.723 -2.228 450 H LYS 56 H LYS 56 4.499 5.519 -3.750 451 HA LYS 56 HA LYS 56 5.727 7.962 -4.443 452 HB2 LYS 56 HB2 LYS 56 5.040 6.323 -6.127 453 HB3 LYS 56 HB3 LYS 56 3.347 6.517 -5.688 454 HG2 LYS 56 HG2 LYS 56 3.368 8.815 -6.546 455 HG3 LYS 56 HG3 LYS 56 5.087 8.676 -6.932 456 HD2 LYS 56 HD2 LYS 56 4.624 6.965 -8.610 457 HD3 LYS 56 HD3 LYS 56 2.920 6.915 -8.147 458 HE2 LYS 56 HE2 LYS 56 4.326 9.315 -9.364 459 HE3 LYS 56 HE3 LYS 56 3.298 8.180 -10.239 460 HZ1 LYS 56 HZ1 LYS 56 2.478 10.004 -8.047 461 HZ2 LYS 56 HZ2 LYS 56 1.477 8.811 -8.705 462 HZ3 LYS 56 HZ3 LYS 56 2.016 10.092 -9.673 463 H VAL 57 H VAL 57 2.531 7.192 -3.208 464 HA VAL 57 HA VAL 57 1.435 9.837 -3.313 465 HB VAL 57 HB VAL 57 0.568 7.383 -1.705 466 HG11 VAL 57 HG11 VAL 57 -0.938 9.984 -2.163 467 HG12 VAL 57 HG12 VAL 57 -0.290 9.404 -0.629 468 HG13 VAL 57 HG13 VAL 57 -1.601 8.528 -1.411 469 HG21 VAL 57 HG21 VAL 57 -1.186 7.131 -3.424 470 HG22 VAL 57 HG22 VAL 57 0.417 7.053 -4.144 471 HG23 VAL 57 HG23 VAL 57 -0.543 8.520 -4.307 472 H PHE 58 H PHE 58 3.082 7.898 -0.791 473 HA PHE 58 HA PHE 58 2.934 9.768 1.332 474 HB2 PHE 58 HB2 PHE 58 4.902 7.515 0.788 475 HB3 PHE 58 HB3 PHE 58 4.998 8.501 2.241 476 HD1 PHE 58 HD2 PHE 58 2.176 8.772 3.062 477 HD2 PHE 58 HD1 PHE 58 4.239 5.361 1.510 478 HE1 PHE 58 HE2 PHE 58 0.619 7.277 4.243 479 HE2 PHE 58 HE1 PHE 58 2.672 3.878 2.694 480 HZ PHE 58 HZ PHE 58 0.863 4.836 4.063 481 H ASP 59 H ASP 59 5.152 9.409 -1.348 482 HA ASP 59 HA ASP 59 7.128 11.305 -0.575 483 HB2 ASP 59 HB2 ASP 59 6.311 10.237 -3.320 484 HB3 ASP 59 HB3 ASP 59 7.665 11.332 -3.089 485 H ALA 60 H ALA 60 4.137 11.471 -2.454 486 HA ALA 60 HA ALA 60 4.243 14.253 -3.104 487 HB1 ALA 60 HB1 ALA 60 2.912 12.665 -4.416 488 HB2 ALA 60 HB2 ALA 60 1.885 13.955 -3.788 489 HB3 ALA 60 HB3 ALA 60 1.864 12.360 -3.027 490 H GLU 61 H GLU 61 3.084 12.443 -0.314 491 HA GLU 61 HA GLU 61 1.757 14.668 0.999 492 HB2 GLU 61 HB2 GLU 61 2.634 11.937 2.037 493 HB3 GLU 61 HB3 GLU 61 1.732 13.108 2.996 494 HG2 GLU 61 HG2 GLU 61 0.772 11.776 0.454 495 HG3 GLU 61 HG3 GLU 61 0.275 11.353 2.091 496 H HIS 62 H HIS 62 4.976 13.815 0.483 497 HA HIS 62 HA HIS 62 6.996 14.397 1.307 498 HB2 HIS 62 HB2 HIS 62 5.389 16.624 2.646 499 HB3 HIS 62 HB3 HIS 62 7.151 16.540 2.675 500 HD1 HIS 62 HD1 HIS 62 8.248 17.831 0.880 501 HD2 HIS 62 HD2 HIS 62 4.428 16.631 -0.238 502 HE1 HIS 62 HE1 HIS 62 7.851 18.855 -1.372 503 HE2 HIS 62 HE2 HIS 62 5.514 18.179 -2.005 504 H ASP 63 H ASP 63 5.213 12.527 2.691 505 HA ASP 63 HA ASP 63 6.220 12.454 5.440 506 HB2 ASP 63 HB2 ASP 63 3.851 11.971 5.168 507 HB3 ASP 63 HB3 ASP 63 4.176 10.781 3.914 508 H THR 64 H THR 64 8.305 11.849 5.354 509 HA THR 64 HA THR 64 9.378 9.928 3.515 510 HB THR 64 HB THR 64 10.794 11.768 4.371 511 HG1 THR 64 HG1 THR 64 12.059 10.127 3.728 512 HG21 THR 64 HG21 THR 64 9.920 11.915 6.683 513 HG22 THR 64 HG22 THR 64 11.675 11.743 6.676 514 HG23 THR 64 HG23 THR 64 10.660 10.352 7.058 515 H ASP 65 H ASP 65 8.071 9.803 6.754 516 HA ASP 65 HA ASP 65 9.230 7.454 7.768 517 HB2 ASP 65 HB2 ASP 65 8.035 9.084 9.189 518 HB3 ASP 65 HB3 ASP 65 6.513 8.709 8.384 519 H GLY 66 H GLY 66 6.109 7.947 6.120 520 HA2 GLY 66 HA2 GLY 66 5.317 5.195 6.048 521 HA3 GLY 66 HA3 GLY 66 4.595 6.526 5.146 522 H ALA 67 H ALA 67 6.927 7.382 3.754 523 HA ALA 67 HA ALA 67 6.928 5.717 1.478 524 HB1 ALA 67 HB1 ALA 67 7.513 8.097 1.352 525 HB2 ALA 67 HB2 ALA 67 8.793 7.107 0.646 526 HB3 ALA 67 HB3 ALA 67 8.999 7.803 2.256 527 H ARG 68 H ARG 68 9.160 5.952 4.184 528 HA ARG 68 HA ARG 68 11.101 4.042 3.259 529 HB2 ARG 68 HB2 ARG 68 10.581 5.377 5.938 530 HB3 ARG 68 HB3 ARG 68 11.880 4.209 5.710 531 HG2 ARG 68 HG2 ARG 68 13.088 5.634 4.266 532 HG3 ARG 68 HG3 ARG 68 11.685 6.659 3.947 533 HD2 ARG 68 HD2 ARG 68 13.391 7.699 5.458 534 HD3 ARG 68 HD3 ARG 68 11.775 7.608 6.158 535 HE ARG 68 HE ARG 68 13.853 5.604 6.798 536 HH11 ARG 68 HH11 ARG 68 11.552 8.037 7.883 537 HH12 ARG 68 HH12 ARG 68 11.766 7.661 9.563 538 HH21 ARG 68 HH21 ARG 68 14.121 5.118 9.012 539 HH22 ARG 68 HH22 ARG 68 13.221 6.013 10.200 540 H ARG 69 H ARG 69 8.219 3.928 5.290 541 HA ARG 69 HA ARG 69 8.525 1.272 6.280 542 HB2 ARG 69 HB2 ARG 69 6.990 2.947 7.293 543 HB3 ARG 69 HB3 ARG 69 5.986 2.906 5.848 544 HG2 ARG 69 HG2 ARG 69 5.425 0.549 6.288 545 HG3 ARG 69 HG3 ARG 69 6.458 0.555 7.719 546 HD2 ARG 69 HD2 ARG 69 4.102 0.793 8.336 547 HD3 ARG 69 HD3 ARG 69 4.997 2.252 8.766 548 HE ARG 69 HE ARG 69 3.113 1.967 6.495 549 HH11 ARG 69 HH11 ARG 69 4.836 4.048 8.748 550 HH12 ARG 69 HH12 ARG 69 3.991 5.480 8.254 551 HH21 ARG 69 HH21 ARG 69 2.032 3.873 5.839 552 HH22 ARG 69 HH22 ARG 69 2.402 5.388 6.608 553 H ALA 70 H ALA 70 7.016 2.658 3.414 554 HA ALA 70 HA ALA 70 5.939 0.241 2.314 555 HB1 ALA 70 HB1 ALA 70 5.597 1.569 0.256 556 HB2 ALA 70 HB2 ALA 70 6.549 2.889 0.943 557 HB3 ALA 70 HB3 ALA 70 5.016 2.428 1.683 558 H ALA 71 H ALA 71 8.973 2.024 1.994 559 HA ALA 71 HA ALA 71 10.182 0.462 -0.061 560 HB1 ALA 71 HB1 ALA 71 11.528 2.151 2.078 561 HB2 ALA 71 HB2 ALA 71 10.972 2.730 0.508 562 HB3 ALA 71 HB3 ALA 71 12.286 1.556 0.599 563 H LYS 72 H LYS 72 10.058 0.172 3.458 564 HA LYS 72 HA LYS 72 12.022 -1.870 3.796 565 HB2 LYS 72 HB2 LYS 72 11.227 -0.480 5.687 566 HB3 LYS 72 HB3 LYS 72 9.609 -1.157 5.528 567 HG2 LYS 72 HG2 LYS 72 10.496 -3.396 6.115 568 HG3 LYS 72 HG3 LYS 72 12.108 -2.703 6.311 569 HD2 LYS 72 HD2 LYS 72 11.297 -1.308 8.171 570 HD3 LYS 72 HD3 LYS 72 9.661 -1.928 7.935 571 HE2 LYS 72 HE2 LYS 72 10.577 -4.250 8.403 572 HE3 LYS 72 HE3 LYS 72 12.096 -3.475 8.870 573 HZ1 LYS 72 HZ1 LYS 72 10.711 -3.927 10.779 574 HZ2 LYS 72 HZ2 LYS 72 9.442 -3.009 10.132 575 HZ3 LYS 72 HZ3 LYS 72 10.893 -2.255 10.580 576 H SER 73 H SER 73 8.496 -1.914 3.423 577 HA SER 73 HA SER 73 8.156 -4.738 3.496 578 HB2 SER 73 HB2 SER 73 6.336 -3.052 3.912 579 HB3 SER 73 HB3 SER 73 6.324 -2.679 2.187 580 HG SER 73 HG SER 73 6.132 -5.358 2.786 581 H LEU 74 H LEU 74 8.732 -2.397 0.909 582 HA LEU 74 HA LEU 74 8.585 -4.108 -1.330 583 HB2 LEU 74 HB2 LEU 74 9.950 -1.469 -0.805 584 HB3 LEU 74 HB3 LEU 74 10.390 -2.347 -2.260 585 HG LEU 74 HG LEU 74 7.551 -1.511 -1.580 586 HD11 LEU 74 HD11 LEU 74 8.905 0.476 -1.962 587 HD12 LEU 74 HD12 LEU 74 7.781 0.216 -3.294 588 HD13 LEU 74 HD13 LEU 74 9.490 -0.183 -3.493 589 HD21 LEU 74 HD21 LEU 74 7.629 -3.484 -3.012 590 HD22 LEU 74 HD22 LEU 74 8.715 -2.666 -4.137 591 HD23 LEU 74 HD23 LEU 74 7.058 -2.091 -3.929 592 H SER 75 H SER 75 11.211 -3.421 0.932 593 HA SER 75 HA SER 75 13.321 -4.667 -0.453 594 HB2 SER 75 HB2 SER 75 13.656 -3.141 1.496 595 HB3 SER 75 HB3 SER 75 13.010 -4.380 2.571 596 HG SER 75 HG SER 75 15.160 -5.006 0.869 597 H GLU 76 H GLU 76 10.895 -5.934 1.795 598 HA GLU 76 HA GLU 76 11.848 -8.655 1.832 599 HB2 GLU 76 HB2 GLU 76 9.097 -7.532 2.529 600 HB3 GLU 76 HB3 GLU 76 9.669 -9.156 2.912 601 HG2 GLU 76 HG2 GLU 76 11.434 -8.180 4.357 602 HG3 GLU 76 HG3 GLU 76 10.813 -6.569 3.992 603 H ALA 77 H ALA 77 9.425 -6.861 -0.016 604 HA ALA 77 HA ALA 77 8.186 -9.032 -1.336 605 HB1 ALA 77 HB1 ALA 77 7.200 -7.329 -2.817 606 HB2 ALA 77 HB2 ALA 77 8.336 -6.123 -2.206 607 HB3 ALA 77 HB3 ALA 77 7.127 -6.820 -1.128 608 H TYR 78 H TYR 78 10.985 -7.030 -2.169 609 HA TYR 78 HA TYR 78 11.261 -7.970 -4.852 610 HB2 TYR 78 HB2 TYR 78 13.157 -6.421 -3.044 611 HB3 TYR 78 HB3 TYR 78 13.616 -6.924 -4.669 612 HD1 TYR 78 HD2 TYR 78 11.280 -6.426 -6.317 613 HD2 TYR 78 HD1 TYR 78 12.793 -4.063 -3.094 614 HE1 TYR 78 HE2 TYR 78 10.223 -4.430 -7.276 615 HE2 TYR 78 HE1 TYR 78 11.732 -2.069 -4.062 616 HH TYR 78 HH TYR 78 10.937 -1.275 -6.231 617 H GLN 79 H GLN 79 12.490 -9.050 -1.723 618 HA GLN 79 HA GLN 79 14.483 -10.877 -2.542 619 HB2 GLN 79 HB2 GLN 79 12.540 -11.115 -0.200 620 HB3 GLN 79 HB3 GLN 79 13.992 -12.094 -0.397 621 HG2 GLN 79 HG2 GLN 79 15.410 -10.164 -0.093 622 HG3 GLN 79 HG3 GLN 79 14.014 -9.086 -0.117 623 HE21 GLN 79 HE21 GLN 79 14.358 -8.246 1.918 624 HE22 GLN 79 HE22 GLN 79 14.188 -9.159 3.376 625 H LYS 80 H LYS 80 11.009 -11.122 -2.403 626 HA LYS 80 HA LYS 80 10.835 -13.968 -2.936 627 HB2 LYS 80 HB2 LYS 80 8.660 -11.835 -2.826 628 HB3 LYS 80 HB3 LYS 80 8.393 -13.578 -2.827 629 HG2 LYS 80 HG2 LYS 80 9.577 -13.747 -0.663 630 HG3 LYS 80 HG3 LYS 80 9.814 -11.998 -0.662 631 HD2 LYS 80 HD2 LYS 80 7.406 -11.631 -0.518 632 HD3 LYS 80 HD3 LYS 80 7.100 -13.367 -0.667 633 HE2 LYS 80 HE2 LYS 80 8.359 -13.722 1.469 634 HE3 LYS 80 HE3 LYS 80 8.515 -11.967 1.627 635 HZ1 LYS 80 HZ1 LYS 80 5.951 -13.456 1.497 636 HZ2 LYS 80 HZ2 LYS 80 6.127 -11.788 1.722 637 HZ3 LYS 80 HZ3 LYS 80 6.667 -12.859 2.904 638 H VAL 81 H VAL 81 11.414 -11.316 -4.871 639 HA VAL 81 HA VAL 81 10.149 -12.494 -7.271 640 HB VAL 81 HB VAL 81 10.646 -9.531 -6.676 641 HG11 VAL 81 HG11 VAL 81 10.991 -9.969 -9.075 642 HG12 VAL 81 HG12 VAL 81 9.495 -9.072 -8.828 643 HG13 VAL 81 HG13 VAL 81 9.434 -10.802 -9.174 644 HG21 VAL 81 HG21 VAL 81 8.726 -10.385 -5.434 645 HG22 VAL 81 HG22 VAL 81 8.045 -11.114 -6.889 646 HG23 VAL 81 HG23 VAL 81 8.146 -9.360 -6.746 647 H GLU 82 H GLU 82 12.644 -9.967 -6.741 648 HA GLU 82 HA GLU 82 14.473 -9.426 -7.943 649 HB2 GLU 82 HB2 GLU 82 15.160 -12.222 -6.996 650 HB3 GLU 82 HB3 GLU 82 16.342 -11.177 -7.783 651 HG2 GLU 82 HG2 GLU 82 15.931 -9.464 -5.998 652 HG3 GLU 82 HG3 GLU 82 14.873 -10.621 -5.199 653 H GLY 83 H GLY 83 12.935 -9.433 -9.824 654 HA2 GLY 83 HA2 GLY 83 13.569 -11.309 -11.965 655 HA3 GLY 83 HA3 GLY 83 12.511 -9.907 -12.065 656 H SER 84 H SER 84 14.604 -10.663 -13.931 657 HA SER 84 HA SER 84 16.849 -8.872 -13.534 658 HB2 SER 84 HB2 SER 84 16.083 -10.648 -15.890 659 HB3 SER 84 HB3 SER 84 17.621 -9.800 -15.720 660 HG SER 84 HG SER 84 17.504 -11.039 -13.520 661 H GLY 85 H GLY 85 14.859 -7.200 -13.372 662 HA2 GLY 85 HA2 GLY 85 13.907 -5.989 -15.776 663 HA3 GLY 85 HA3 GLY 85 13.867 -5.299 -14.158 664 H ASP 86 H ASP 86 16.831 -5.762 -13.954 665 HA ASP 86 HA ASP 86 17.779 -3.222 -14.792 666 HB2 ASP 86 HB2 ASP 86 19.918 -3.890 -13.883 667 HB3 ASP 86 HB3 ASP 86 18.676 -4.536 -12.821 668 H LYS 87 H LYS 87 17.984 -6.455 -16.171 669 HA LYS 87 HA LYS 87 19.702 -5.829 -18.379 670 HB2 LYS 87 HB2 LYS 87 17.682 -8.084 -18.030 671 HB3 LYS 87 HB3 LYS 87 18.880 -8.002 -19.319 672 HG2 LYS 87 HG2 LYS 87 20.669 -8.071 -17.572 673 HG3 LYS 87 HG3 LYS 87 19.412 -8.298 -16.354 674 HD2 LYS 87 HD2 LYS 87 18.696 -10.384 -17.517 675 HD3 LYS 87 HD3 LYS 87 20.010 -10.175 -18.679 676 HE2 LYS 87 HE2 LYS 87 20.351 -10.567 -15.687 677 HE3 LYS 87 HE3 LYS 87 20.553 -11.818 -16.911 678 HZ1 LYS 87 HZ1 LYS 87 22.183 -9.360 -16.625 679 HZ2 LYS 87 HZ2 LYS 87 22.352 -10.487 -17.871 680 HZ3 LYS 87 HZ3 LYS 87 22.676 -10.940 -16.274 681 H GLY 88 H GLY 88 16.185 -5.988 -17.899 682 HA2 GLY 88 HA2 GLY 88 14.437 -4.996 -19.056 683 HA3 GLY 88 HA3 GLY 88 15.589 -4.287 -20.175 684 H LYS 89 H LYS 89 16.695 -5.905 -21.578 685 HA LYS 89 HA LYS 89 14.897 -8.007 -22.633 686 HB2 LYS 89 HB2 LYS 89 15.884 -7.613 -24.857 687 HB3 LYS 89 HB3 LYS 89 15.170 -6.138 -24.242 688 HG2 LYS 89 HG2 LYS 89 18.154 -6.694 -24.131 689 HG3 LYS 89 HG3 LYS 89 17.366 -5.885 -25.484 690 HD2 LYS 89 HD2 LYS 89 16.594 -4.092 -23.949 691 HD3 LYS 89 HD3 LYS 89 17.411 -4.893 -22.607 692 HE2 LYS 89 HE2 LYS 89 18.848 -3.122 -23.330 693 HE3 LYS 89 HE3 LYS 89 19.584 -4.614 -23.915 694 HZ1 LYS 89 HZ1 LYS 89 17.896 -2.776 -25.520 695 HZ2 LYS 89 HZ2 LYS 89 18.642 -4.181 -26.084 696 HZ3 LYS 89 HZ3 LYS 89 19.582 -2.869 -25.587 697 H ILE 90 H ILE 90 16.141 -9.821 -23.688 698 HA ILE 90 HA ILE 90 18.353 -10.618 -21.888 699 HB ILE 90 HB ILE 90 17.715 -12.955 -22.423 700 HG12 ILE 90 HG12 ILE 90 15.436 -11.712 -24.053 701 HG13 ILE 90 HG13 ILE 90 16.804 -12.596 -24.716 702 HG21 ILE 90 HG21 ILE 90 15.583 -13.016 -21.176 703 HG22 ILE 90 HG22 ILE 90 15.371 -11.285 -21.441 704 HG23 ILE 90 HG23 ILE 90 16.715 -11.866 -20.455 705 HD11 ILE 90 HD11 ILE 90 14.635 -13.731 -22.963 706 HD12 ILE 90 HD12 ILE 90 16.016 -14.631 -23.598 707 HD13 ILE 90 HD13 ILE 90 14.813 -13.963 -24.702 708 H PHE 91 H PHE 91 18.245 -9.234 -24.741 709 HA PHE 91 HA PHE 91 19.449 -9.116 -26.629 710 HB2 PHE 91 HB2 PHE 91 21.466 -9.289 -25.231 711 HB3 PHE 91 HB3 PHE 91 21.359 -11.046 -25.233 712 HD1 PHE 91 HD1 PHE 91 21.688 -8.138 -27.575 713 HD2 PHE 91 HD2 PHE 91 22.579 -12.258 -26.867 714 HE1 PHE 91 HE1 PHE 91 23.039 -8.201 -29.618 715 HE2 PHE 91 HE2 PHE 91 23.938 -12.313 -28.919 716 HZ PHE 91 HZ PHE 91 24.171 -10.284 -30.297 717 H GLN 92 H GLN 92 17.821 -9.977 -27.889 718 HA GLN 92 HA GLN 92 17.624 -12.820 -28.421 719 HB2 GLN 92 HB2 GLN 92 15.558 -11.568 -28.459 720 HB3 GLN 92 HB3 GLN 92 16.201 -10.406 -29.617 721 HG2 GLN 92 HG2 GLN 92 16.219 -12.050 -31.373 722 HG3 GLN 92 HG3 GLN 92 15.826 -13.350 -30.253 723 HE21 GLN 92 HE21 GLN 92 14.442 -12.576 -32.676 724 HE22 GLN 92 HE22 GLN 92 12.818 -12.191 -32.224 725 H LYS 93 H LYS 93 19.061 -13.792 -29.664 726 HA LYS 93 HA LYS 93 19.962 -12.540 -32.205 727 HB2 LYS 93 HB2 LYS 93 21.810 -13.094 -30.626 728 HB3 LYS 93 HB3 LYS 93 21.292 -14.774 -30.587 729 HG2 LYS 93 HG2 LYS 93 21.938 -15.098 -32.901 730 HG3 LYS 93 HG3 LYS 93 22.234 -13.371 -33.119 731 HD2 LYS 93 HD2 LYS 93 24.107 -13.501 -31.475 732 HD3 LYS 93 HD3 LYS 93 23.816 -15.232 -31.293 733 HE2 LYS 93 HE2 LYS 93 24.431 -15.615 -33.636 734 HE3 LYS 93 HE3 LYS 93 24.621 -13.876 -33.896 735 HZ1 LYS 93 HZ1 LYS 93 26.753 -14.926 -33.546 736 HZ2 LYS 93 HZ2 LYS 93 26.250 -15.552 -32.056 737 HZ3 LYS 93 HZ3 LYS 93 26.417 -13.880 -32.257 738 H GLU 94 H GLU 94 18.535 -15.275 -30.591 739 HA GLU 94 HA GLU 94 17.850 -16.679 -33.097 740 HB2 GLU 94 HB2 GLU 94 17.513 -17.541 -30.184 741 HB3 GLU 94 HB3 GLU 94 17.253 -18.558 -31.602 742 HG2 GLU 94 HG2 GLU 94 19.575 -18.653 -32.099 743 HG3 GLU 94 HG3 GLU 94 19.944 -17.301 -31.033 744 H GLY 95 H GLY 95 15.761 -16.596 -33.838 745 HA2 GLY 95 HA2 GLY 95 13.969 -14.611 -32.904 746 HA3 GLY 95 HA3 GLY 95 13.637 -15.815 -34.138 747 H GLU 96 H GLU 96 12.886 -14.798 -31.014 748 HA GLU 96 HA GLU 96 11.431 -15.430 -29.431 749 HB2 GLU 96 HB2 GLU 96 9.829 -15.795 -31.232 750 HB3 GLU 96 HB3 GLU 96 10.482 -17.389 -31.565 751 HG2 GLU 96 HG2 GLU 96 8.361 -17.594 -30.412 752 HG3 GLU 96 HG3 GLU 96 9.656 -18.186 -29.380 753 H SER 97 H SER 97 11.919 -18.688 -30.770 754 HA SER 97 HA SER 97 13.736 -19.591 -28.714 755 HB2 SER 97 HB2 SER 97 11.530 -19.541 -27.493 756 HB3 SER 97 HB3 SER 97 10.865 -20.652 -28.685 757 HG SER 97 HG SER 97 12.320 -22.221 -27.983 758 H ILE 98 H ILE 98 12.729 -19.602 -31.774 759 HA ILE 98 HA ILE 98 13.147 -22.461 -32.370 760 HB ILE 98 HB ILE 98 12.060 -22.070 -34.511 761 HG12 ILE 98 HG12 ILE 98 11.889 -19.112 -33.719 762 HG13 ILE 98 HG13 ILE 98 12.879 -19.773 -35.013 763 HG21 ILE 98 HG21 ILE 98 9.772 -21.485 -33.775 764 HG22 ILE 98 HG22 ILE 98 10.414 -20.783 -32.290 765 HG23 ILE 98 HG23 ILE 98 10.564 -22.517 -32.584 766 HD11 ILE 98 HD11 ILE 98 10.926 -18.690 -35.928 767 HD12 ILE 98 HD12 ILE 98 9.864 -19.679 -34.929 768 HD13 ILE 98 HD13 ILE 98 10.816 -20.430 -36.209 769 H LEU 99 H LEU 99 14.312 -22.823 -34.516 770 HA LEU 99 HA LEU 99 16.705 -21.078 -34.693 771 HB2 LEU 99 HB2 LEU 99 17.813 -23.291 -35.537 772 HB3 LEU 99 HB3 LEU 99 17.577 -23.027 -33.827 773 HG LEU 99 HG LEU 99 15.437 -24.461 -34.048 774 HD11 LEU 99 HD11 LEU 99 15.320 -26.087 -35.842 775 HD12 LEU 99 HD12 LEU 99 16.726 -25.365 -36.631 776 HD13 LEU 99 HD13 LEU 99 15.223 -24.450 -36.484 777 HD21 LEU 99 HD21 LEU 99 17.468 -25.228 -32.894 778 HD22 LEU 99 HD22 LEU 99 18.122 -25.833 -34.417 779 HD23 LEU 99 HD23 LEU 99 16.666 -26.556 -33.728 780 H GLU 100 H GLU 100 17.869 -22.001 -36.955 781 HA GLU 100 HA GLU 100 18.014 -21.598 -39.146 782 HB2 GLU 100 HB2 GLU 100 15.198 -22.766 -39.139 783 HB3 GLU 100 HB3 GLU 100 16.116 -22.450 -40.606 784 HG2 GLU 100 HG2 GLU 100 16.885 -24.386 -38.404 785 HG3 GLU 100 HG3 GLU 100 16.222 -24.818 -39.976 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -12.657 -10.871 9.675 2 H2 GLY 1 H2 GLY 1 -12.663 -11.591 11.203 3 H3 GLY 1 H3 GLY 1 -13.746 -12.111 10.018 4 HA2 GLY 1 HA2 GLY 1 -10.798 -12.391 9.907 5 HA3 GLY 1 HA3 GLY 1 -11.936 -13.686 10.267 6 H GLY 2 H GLY 2 -11.276 -14.925 8.492 7 HA2 GLY 2 HA2 GLY 2 -11.902 -15.760 6.402 8 HA3 GLY 2 HA3 GLY 2 -12.425 -14.161 5.890 9 H SER 3 H SER 3 -11.229 -14.885 3.955 10 HA SER 3 HA SER 3 -8.383 -15.090 3.933 11 HB2 SER 3 HB2 SER 3 -8.670 -14.943 1.437 12 HB3 SER 3 HB3 SER 3 -9.740 -16.141 2.163 13 HG SER 3 HG SER 3 -11.057 -13.859 2.179 14 HA PRO 4 HA PRO 4 -7.050 -10.807 4.199 15 HB2 PRO 4 HB2 PRO 4 -5.215 -11.518 1.907 16 HB3 PRO 4 HB3 PRO 4 -4.842 -10.715 3.449 17 HG2 PRO 4 HG2 PRO 4 -4.220 -13.268 3.138 18 HG3 PRO 4 HG3 PRO 4 -4.917 -12.705 4.675 19 HD2 PRO 4 HD2 PRO 4 -6.242 -14.242 2.455 20 HD3 PRO 4 HD3 PRO 4 -6.457 -14.387 4.216 21 H ASP 5 H ASP 5 -7.938 -12.015 0.972 22 HA ASP 5 HA ASP 5 -7.912 -9.485 -0.342 23 HB2 ASP 5 HB2 ASP 5 -7.812 -11.824 -1.426 24 HB3 ASP 5 HB3 ASP 5 -9.564 -11.849 -1.284 25 H GLU 6 H GLU 6 -10.294 -11.049 1.630 26 HA GLU 6 HA GLU 6 -12.530 -9.365 0.916 27 HB2 GLU 6 HB2 GLU 6 -12.068 -11.063 3.413 28 HB3 GLU 6 HB3 GLU 6 -13.606 -10.337 2.937 29 HG2 GLU 6 HG2 GLU 6 -13.657 -11.707 0.902 30 HG3 GLU 6 HG3 GLU 6 -12.087 -12.404 1.314 31 H ASN 7 H ASN 7 -9.990 -9.359 3.378 32 HA ASN 7 HA ASN 7 -10.757 -7.025 4.793 33 HB2 ASN 7 HB2 ASN 7 -7.880 -7.974 4.419 34 HB3 ASN 7 HB3 ASN 7 -8.532 -7.051 5.770 35 HD21 ASN 7 HD21 ASN 7 -7.046 -9.506 5.885 36 HD22 ASN 7 HD22 ASN 7 -8.055 -10.689 6.633 37 H ILE 8 H ILE 8 -8.859 -7.570 1.867 38 HA ILE 8 HA ILE 8 -7.880 -4.994 1.334 39 HB ILE 8 HB ILE 8 -8.615 -7.301 -0.518 40 HG12 ILE 8 HG12 ILE 8 -5.919 -6.203 0.367 41 HG13 ILE 8 HG13 ILE 8 -6.714 -7.620 1.042 42 HG21 ILE 8 HG21 ILE 8 -8.838 -5.289 -1.885 43 HG22 ILE 8 HG22 ILE 8 -7.388 -6.177 -2.358 44 HG23 ILE 8 HG23 ILE 8 -7.247 -4.726 -1.366 45 HD11 ILE 8 HD11 ILE 8 -5.645 -7.310 -1.747 46 HD12 ILE 8 HD12 ILE 8 -6.564 -8.702 -1.180 47 HD13 ILE 8 HD13 ILE 8 -5.005 -8.319 -0.454 48 H ALA 9 H ALA 9 -10.998 -6.508 0.462 49 HA ALA 9 HA ALA 9 -12.067 -4.475 -1.153 50 HB1 ALA 9 HB1 ALA 9 -13.564 -6.363 0.697 51 HB2 ALA 9 HB2 ALA 9 -13.063 -6.724 -0.956 52 HB3 ALA 9 HB3 ALA 9 -14.266 -5.468 -0.658 53 H LYS 10 H LYS 10 -11.871 -4.766 2.329 54 HA LYS 10 HA LYS 10 -13.493 -2.497 3.017 55 HB2 LYS 10 HB2 LYS 10 -11.379 -3.980 4.632 56 HB3 LYS 10 HB3 LYS 10 -12.553 -2.839 5.287 57 HG2 LYS 10 HG2 LYS 10 -14.400 -4.331 4.738 58 HG3 LYS 10 HG3 LYS 10 -13.304 -5.433 3.897 59 HD2 LYS 10 HD2 LYS 10 -13.893 -6.295 6.140 60 HD3 LYS 10 HD3 LYS 10 -12.165 -5.962 6.011 61 HE2 LYS 10 HE2 LYS 10 -12.506 -3.817 7.220 62 HE3 LYS 10 HE3 LYS 10 -14.228 -4.182 7.359 63 HZ1 LYS 10 HZ1 LYS 10 -12.029 -5.821 8.514 64 HZ2 LYS 10 HZ2 LYS 10 -13.687 -6.128 8.667 65 HZ3 LYS 10 HZ3 LYS 10 -13.017 -4.749 9.371 66 H PHE 11 H PHE 11 -9.962 -3.093 2.716 67 HA PHE 11 HA PHE 11 -9.114 -0.444 3.387 68 HB2 PHE 11 HB2 PHE 11 -7.607 -2.573 1.803 69 HB3 PHE 11 HB3 PHE 11 -6.890 -1.110 2.472 70 HD1 PHE 11 HD2 PHE 11 -8.075 -1.004 5.190 71 HD2 PHE 11 HD1 PHE 11 -6.574 -4.356 2.980 72 HE1 PHE 11 HE2 PHE 11 -7.600 -2.190 7.290 73 HE2 PHE 11 HE1 PHE 11 -6.105 -5.528 5.098 74 HZ PHE 11 HZ PHE 11 -6.621 -4.445 7.245 75 H GLU 12 H GLU 12 -10.293 -1.866 0.505 76 HA GLU 12 HA GLU 12 -9.299 0.044 -1.401 77 HB2 GLU 12 HB2 GLU 12 -10.181 -2.505 -1.677 78 HB3 GLU 12 HB3 GLU 12 -11.716 -1.709 -1.966 79 HG2 GLU 12 HG2 GLU 12 -9.158 -1.402 -3.567 80 HG3 GLU 12 HG3 GLU 12 -10.632 -2.211 -4.078 81 H LYS 13 H LYS 13 -12.346 -0.608 0.323 82 HA LYS 13 HA LYS 13 -13.797 1.653 -0.604 83 HB2 LYS 13 HB2 LYS 13 -14.841 -0.397 0.417 84 HB3 LYS 13 HB3 LYS 13 -14.183 0.071 1.983 85 HG2 LYS 13 HG2 LYS 13 -16.552 0.682 1.818 86 HG3 LYS 13 HG3 LYS 13 -15.546 2.128 1.950 87 HD2 LYS 13 HD2 LYS 13 -15.699 2.412 -0.545 88 HD3 LYS 13 HD3 LYS 13 -16.791 1.024 -0.607 89 HE2 LYS 13 HE2 LYS 13 -17.309 3.624 0.877 90 HE3 LYS 13 HE3 LYS 13 -18.021 3.156 -0.667 91 HZ1 LYS 13 HZ1 LYS 13 -19.053 1.268 0.457 92 HZ2 LYS 13 HZ2 LYS 13 -19.555 2.742 1.111 93 HZ3 LYS 13 HZ3 LYS 13 -18.427 1.793 1.933 94 H ALA 14 H ALA 14 -11.546 1.095 2.026 95 HA ALA 14 HA ALA 14 -11.866 3.613 3.369 96 HB1 ALA 14 HB1 ALA 14 -9.586 1.604 3.507 97 HB2 ALA 14 HB2 ALA 14 -11.000 1.648 4.561 98 HB3 ALA 14 HB3 ALA 14 -9.832 2.969 4.605 99 H TYR 15 H TYR 15 -9.928 2.400 0.703 100 HA TYR 15 HA TYR 15 -8.123 4.592 0.446 101 HB2 TYR 15 HB2 TYR 15 -7.577 2.448 -0.594 102 HB3 TYR 15 HB3 TYR 15 -9.053 2.474 -1.553 103 HD1 TYR 15 HD2 TYR 15 -6.107 4.751 -0.948 104 HD2 TYR 15 HD1 TYR 15 -8.716 2.993 -3.839 105 HE1 TYR 15 HE2 TYR 15 -4.927 5.919 -2.717 106 HE2 TYR 15 HE1 TYR 15 -7.529 4.191 -5.625 107 HH TYR 15 HH TYR 15 -6.144 6.244 -5.855 108 H LYS 16 H LYS 16 -11.182 3.717 -1.107 109 HA LYS 16 HA LYS 16 -11.483 5.987 -2.766 110 HB2 LYS 16 HB2 LYS 16 -13.458 3.965 -1.633 111 HB3 LYS 16 HB3 LYS 16 -13.949 5.228 -2.756 112 HG2 LYS 16 HG2 LYS 16 -11.800 3.184 -3.412 113 HG3 LYS 16 HG3 LYS 16 -13.514 2.939 -3.771 114 HD2 LYS 16 HD2 LYS 16 -13.513 4.938 -5.220 115 HD3 LYS 16 HD3 LYS 16 -11.817 5.239 -4.830 116 HE2 LYS 16 HE2 LYS 16 -12.846 2.754 -6.255 117 HE3 LYS 16 HE3 LYS 16 -12.129 4.157 -7.051 118 HZ1 LYS 16 HZ1 LYS 16 -10.527 2.374 -6.722 119 HZ2 LYS 16 HZ2 LYS 16 -10.760 2.452 -5.049 120 HZ3 LYS 16 HZ3 LYS 16 -10.085 3.764 -5.867 121 H LYS 17 H LYS 17 -12.436 5.308 0.566 122 HA LYS 17 HA LYS 17 -14.028 7.607 1.092 123 HB2 LYS 17 HB2 LYS 17 -14.040 5.534 2.504 124 HB3 LYS 17 HB3 LYS 17 -12.389 5.869 3.007 125 HG2 LYS 17 HG2 LYS 17 -13.895 6.491 4.786 126 HG3 LYS 17 HG3 LYS 17 -13.184 7.964 4.115 127 HD2 LYS 17 HD2 LYS 17 -15.243 8.413 2.850 128 HD3 LYS 17 HD3 LYS 17 -15.949 6.892 3.409 129 HE2 LYS 17 HE2 LYS 17 -15.845 7.746 5.747 130 HE3 LYS 17 HE3 LYS 17 -15.214 9.278 5.138 131 HZ1 LYS 17 HZ1 LYS 17 -17.825 8.143 4.309 132 HZ2 LYS 17 HZ2 LYS 17 -17.234 9.697 4.006 133 HZ3 LYS 17 HZ3 LYS 17 -17.643 9.239 5.577 134 H ALA 18 H ALA 18 -10.632 6.809 1.683 135 HA ALA 18 HA ALA 18 -9.640 9.199 2.770 136 HB1 ALA 18 HB1 ALA 18 -8.289 7.117 1.022 137 HB2 ALA 18 HB2 ALA 18 -8.437 7.077 2.780 138 HB3 ALA 18 HB3 ALA 18 -7.453 8.324 2.010 139 H GLU 19 H GLU 19 -10.216 8.167 -0.551 140 HA GLU 19 HA GLU 19 -8.768 10.227 -1.927 141 HB2 GLU 19 HB2 GLU 19 -9.524 7.769 -2.650 142 HB3 GLU 19 HB3 GLU 19 -10.982 8.568 -3.197 143 HG2 GLU 19 HG2 GLU 19 -8.161 9.128 -4.173 144 HG3 GLU 19 HG3 GLU 19 -9.371 8.160 -5.010 145 H GLU 20 H GLU 20 -12.178 9.719 -0.957 146 HA GLU 20 HA GLU 20 -13.335 11.998 -2.171 147 HB2 GLU 20 HB2 GLU 20 -14.144 10.547 0.392 148 HB3 GLU 20 HB3 GLU 20 -15.119 11.796 -0.376 149 HG2 GLU 20 HG2 GLU 20 -14.467 9.041 -1.430 150 HG3 GLU 20 HG3 GLU 20 -16.041 9.687 -0.976 151 H LEU 21 H LEU 21 -11.713 11.513 0.904 152 HA LEU 21 HA LEU 21 -12.037 14.197 1.874 153 HB2 LEU 21 HB2 LEU 21 -10.151 11.982 2.769 154 HB3 LEU 21 HB3 LEU 21 -10.506 13.446 3.676 155 HG LEU 21 HG LEU 21 -12.520 11.249 3.033 156 HD11 LEU 21 HD11 LEU 21 -10.867 10.473 4.655 157 HD12 LEU 21 HD12 LEU 21 -12.439 10.683 5.420 158 HD13 LEU 21 HD13 LEU 21 -11.166 11.883 5.675 159 HD21 LEU 21 HD21 LEU 21 -13.603 13.430 3.169 160 HD22 LEU 21 HD22 LEU 21 -12.861 13.727 4.745 161 HD23 LEU 21 HD23 LEU 21 -14.039 12.427 4.551 162 H ASN 22 H ASN 22 -9.974 12.702 -0.380 163 HA ASN 22 HA ASN 22 -8.151 13.254 -1.588 164 HB2 ASN 22 HB2 ASN 22 -9.491 15.361 -1.978 165 HB3 ASN 22 HB3 ASN 22 -8.648 16.113 -0.632 166 HD21 ASN 22 HD21 ASN 22 -7.744 17.753 -1.876 167 HD22 ASN 22 HD22 ASN 22 -6.524 17.472 -3.064 168 H GLN 23 H GLN 23 -7.947 12.510 1.234 169 HA GLN 23 HA GLN 23 -5.477 13.813 2.176 170 HB2 GLN 23 HB2 GLN 23 -7.395 11.903 3.576 171 HB3 GLN 23 HB3 GLN 23 -5.940 12.577 4.311 172 HG2 GLN 23 HG2 GLN 23 -6.866 14.861 4.049 173 HG3 GLN 23 HG3 GLN 23 -8.324 14.183 3.324 174 HE21 GLN 23 HE21 GLN 23 -9.678 15.049 4.911 175 HE22 GLN 23 HE22 GLN 23 -9.704 14.470 6.539 176 H GLY 24 H GLY 24 -3.783 12.990 1.156 177 HA2 GLY 24 HA2 GLY 24 -3.725 10.410 -0.037 178 HA3 GLY 24 HA3 GLY 24 -2.416 11.573 0.009 179 H GLU 25 H GLU 25 -2.536 11.588 3.050 180 HA GLU 25 HA GLU 25 -0.658 9.572 3.647 181 HB2 GLU 25 HB2 GLU 25 -0.837 11.523 5.082 182 HB3 GLU 25 HB3 GLU 25 -2.519 11.167 5.464 183 HG2 GLU 25 HG2 GLU 25 -1.810 9.132 6.674 184 HG3 GLU 25 HG3 GLU 25 -0.127 9.493 6.297 185 H LEU 26 H LEU 26 -4.143 9.763 4.254 186 HA LEU 26 HA LEU 26 -4.617 7.186 5.275 187 HB2 LEU 26 HB2 LEU 26 -6.408 9.077 3.713 188 HB3 LEU 26 HB3 LEU 26 -6.996 7.611 4.475 189 HG LEU 26 HG LEU 26 -5.783 9.960 5.994 190 HD11 LEU 26 HD11 LEU 26 -8.707 9.203 5.639 191 HD12 LEU 26 HD12 LEU 26 -7.903 10.601 4.923 192 HD13 LEU 26 HD13 LEU 26 -8.083 10.497 6.670 193 HD21 LEU 26 HD21 LEU 26 -7.270 7.509 6.972 194 HD22 LEU 26 HD22 LEU 26 -6.719 8.854 7.977 195 HD23 LEU 26 HD23 LEU 26 -5.541 7.821 7.169 196 H MET 27 H MET 27 -4.727 8.461 1.926 197 HA MET 27 HA MET 27 -5.673 6.144 0.612 198 HB2 MET 27 HB2 MET 27 -3.979 8.433 -0.474 199 HB3 MET 27 HB3 MET 27 -4.683 7.181 -1.485 200 HG2 MET 27 HG2 MET 27 -6.951 7.937 -0.517 201 HG3 MET 27 HG3 MET 27 -6.084 9.373 0.028 202 HE1 MET 27 HE1 MET 27 -3.931 9.433 -2.547 203 HE2 MET 27 HE2 MET 27 -4.606 10.880 -1.791 204 HE3 MET 27 HE3 MET 27 -4.744 10.649 -3.532 205 H GLY 28 H GLY 28 -2.410 7.235 1.347 206 HA2 GLY 28 HA2 GLY 28 -0.976 5.295 -0.159 207 HA3 GLY 28 HA3 GLY 28 -0.339 6.309 1.131 208 H ARG 29 H ARG 29 -1.934 5.572 3.265 209 HA ARG 29 HA ARG 29 -0.787 3.146 4.182 210 HB2 ARG 29 HB2 ARG 29 -3.050 4.867 5.284 211 HB3 ARG 29 HB3 ARG 29 -2.474 3.423 6.119 212 HG2 ARG 29 HG2 ARG 29 -0.250 4.396 6.368 213 HG3 ARG 29 HG3 ARG 29 -0.722 5.806 5.420 214 HD2 ARG 29 HD2 ARG 29 -2.336 6.451 7.177 215 HD3 ARG 29 HD3 ARG 29 -1.877 5.032 8.129 216 HE ARG 29 HE ARG 29 0.473 6.358 7.634 217 HH11 ARG 29 HH11 ARG 29 -2.521 7.255 9.266 218 HH12 ARG 29 HH12 ARG 29 -1.732 8.387 10.320 219 HH21 ARG 29 HH21 ARG 29 1.461 7.876 8.966 220 HH22 ARG 29 HH22 ARG 29 0.515 8.735 10.145 221 H ALA 30 H ALA 30 -3.839 3.915 2.640 222 HA ALA 30 HA ALA 30 -5.229 1.480 3.081 223 HB1 ALA 30 HB1 ALA 30 -5.504 3.456 0.776 224 HB2 ALA 30 HB2 ALA 30 -6.345 3.550 2.329 225 HB3 ALA 30 HB3 ALA 30 -6.679 2.209 1.233 226 H LEU 31 H LEU 31 -3.263 2.647 0.328 227 HA LEU 31 HA LEU 31 -3.321 0.262 -1.222 228 HB2 LEU 31 HB2 LEU 31 -1.349 2.583 -1.215 229 HB3 LEU 31 HB3 LEU 31 -1.390 1.332 -2.449 230 HG LEU 31 HG LEU 31 -3.696 3.236 -1.885 231 HD11 LEU 31 HD11 LEU 31 -1.626 3.395 -4.098 232 HD12 LEU 31 HD12 LEU 31 -1.753 4.481 -2.714 233 HD13 LEU 31 HD13 LEU 31 -3.041 4.439 -3.916 234 HD21 LEU 31 HD21 LEU 31 -3.255 1.285 -4.172 235 HD22 LEU 31 HD22 LEU 31 -4.590 2.433 -4.035 236 HD23 LEU 31 HD23 LEU 31 -4.434 1.124 -2.867 237 H TYR 32 H TYR 32 -1.187 1.440 1.305 238 HA TYR 32 HA TYR 32 0.944 -0.403 1.003 239 HB2 TYR 32 HB2 TYR 32 1.162 1.716 2.310 240 HB3 TYR 32 HB3 TYR 32 0.028 1.102 3.509 241 HD1 TYR 32 HD2 TYR 32 3.169 -0.121 1.820 242 HD2 TYR 32 HD1 TYR 32 1.075 0.375 5.515 243 HE1 TYR 32 HE2 TYR 32 5.056 -1.120 3.023 244 HE2 TYR 32 HE1 TYR 32 2.975 -0.627 6.722 245 HH TYR 32 HH TYR 32 6.023 -1.184 5.234 246 H ASN 33 H ASN 33 -2.013 -0.356 3.003 247 HA ASN 33 HA ASN 33 -1.604 -2.834 4.327 248 HB2 ASN 33 HB2 ASN 33 -4.135 -1.197 3.864 249 HB3 ASN 33 HB3 ASN 33 -4.126 -2.683 4.813 250 HD21 ASN 33 HD21 ASN 33 -4.732 0.073 5.624 251 HD22 ASN 33 HD22 ASN 33 -3.661 0.415 6.935 252 H ILE 34 H ILE 34 -3.513 -1.969 1.415 253 HA ILE 34 HA ILE 34 -4.514 -4.493 0.736 254 HB ILE 34 HB ILE 34 -3.672 -2.191 -1.094 255 HG12 ILE 34 HG12 ILE 34 -6.463 -3.058 -0.200 256 HG13 ILE 34 HG13 ILE 34 -5.563 -1.715 0.487 257 HG21 ILE 34 HG21 ILE 34 -5.240 -4.678 -1.861 258 HG22 ILE 34 HG22 ILE 34 -3.631 -4.235 -2.434 259 HG23 ILE 34 HG23 ILE 34 -5.025 -3.257 -2.886 260 HD11 ILE 34 HD11 ILE 34 -7.248 -0.938 -1.062 261 HD12 ILE 34 HD12 ILE 34 -6.540 -1.896 -2.363 262 HD13 ILE 34 HD13 ILE 34 -5.635 -0.553 -1.658 263 H GLY 35 H GLY 35 -1.390 -2.977 0.027 264 HA2 GLY 35 HA2 GLY 35 -0.239 -4.948 -1.621 265 HA3 GLY 35 HA3 GLY 35 0.629 -3.760 -0.662 266 H LEU 36 H LEU 36 0.003 -4.430 1.917 267 HA LEU 36 HA LEU 36 1.742 -6.550 2.550 268 HB2 LEU 36 HB2 LEU 36 -0.446 -5.301 4.264 269 HB3 LEU 36 HB3 LEU 36 0.818 -6.355 4.883 270 HG LEU 36 HG LEU 36 1.302 -3.633 3.612 271 HD11 LEU 36 HD11 LEU 36 1.312 -4.392 6.543 272 HD12 LEU 36 HD12 LEU 36 0.111 -3.393 5.720 273 HD13 LEU 36 HD13 LEU 36 1.771 -2.824 5.870 274 HD21 LEU 36 HD21 LEU 36 3.590 -3.835 4.490 275 HD22 LEU 36 HD22 LEU 36 3.226 -5.101 3.321 276 HD23 LEU 36 HD23 LEU 36 3.237 -5.475 5.046 277 H GLU 37 H GLU 37 -1.769 -6.402 2.217 278 HA GLU 37 HA GLU 37 -2.372 -9.035 3.080 279 HB2 GLU 37 HB2 GLU 37 -3.919 -7.215 1.200 280 HB3 GLU 37 HB3 GLU 37 -4.548 -8.696 1.908 281 HG2 GLU 37 HG2 GLU 37 -3.735 -6.217 3.440 282 HG3 GLU 37 HG3 GLU 37 -5.383 -6.675 3.034 283 H LYS 38 H LYS 38 -1.860 -7.643 -0.228 284 HA LYS 38 HA LYS 38 -2.218 -9.990 -1.735 285 HB2 LYS 38 HB2 LYS 38 -0.271 -7.712 -2.337 286 HB3 LYS 38 HB3 LYS 38 -0.766 -8.942 -3.491 287 HG2 LYS 38 HG2 LYS 38 -2.527 -6.806 -2.268 288 HG3 LYS 38 HG3 LYS 38 -1.895 -6.831 -3.913 289 HD2 LYS 38 HD2 LYS 38 -3.227 -8.921 -4.338 290 HD3 LYS 38 HD3 LYS 38 -3.915 -8.767 -2.716 291 HE2 LYS 38 HE2 LYS 38 -4.744 -6.455 -3.420 292 HE3 LYS 38 HE3 LYS 38 -4.271 -6.876 -5.070 293 HZ1 LYS 38 HZ1 LYS 38 -5.788 -8.762 -4.975 294 HZ2 LYS 38 HZ2 LYS 38 -6.616 -7.321 -4.673 295 HZ3 LYS 38 HZ3 LYS 38 -6.237 -8.366 -3.400 296 H ASN 39 H ASN 39 0.577 -8.758 -0.014 297 HA ASN 39 HA ASN 39 2.596 -10.482 -0.989 298 HB2 ASN 39 HB2 ASN 39 2.802 -8.212 0.286 299 HB3 ASN 39 HB3 ASN 39 2.620 -9.152 1.759 300 HD21 ASN 39 HD21 ASN 39 4.860 -7.514 0.769 301 HD22 ASN 39 HD22 ASN 39 6.239 -8.551 0.759 302 H LYS 40 H LYS 40 0.565 -10.598 1.964 303 HA LYS 40 HA LYS 40 1.555 -13.175 2.816 304 HB2 LYS 40 HB2 LYS 40 0.073 -13.009 4.697 305 HB3 LYS 40 HB3 LYS 40 0.758 -11.414 4.425 306 HG2 LYS 40 HG2 LYS 40 -1.393 -10.808 3.216 307 HG3 LYS 40 HG3 LYS 40 -2.049 -12.345 3.772 308 HD2 LYS 40 HD2 LYS 40 -2.772 -10.515 5.246 309 HD3 LYS 40 HD3 LYS 40 -1.731 -11.635 6.129 310 HE2 LYS 40 HE2 LYS 40 0.134 -10.105 5.997 311 HE3 LYS 40 HE3 LYS 40 -0.735 -9.055 4.876 312 HZ1 LYS 40 HZ1 LYS 40 -1.555 -9.560 7.680 313 HZ2 LYS 40 HZ2 LYS 40 -2.269 -8.483 6.605 314 HZ3 LYS 40 HZ3 LYS 40 -0.700 -8.209 7.150 315 H MET 41 H MET 41 -0.924 -12.177 0.599 316 HA MET 41 HA MET 41 -2.434 -14.647 0.565 317 HB2 MET 41 HB2 MET 41 -2.142 -12.412 -1.494 318 HB3 MET 41 HB3 MET 41 -3.167 -13.815 -1.758 319 HG2 MET 41 HG2 MET 41 -4.604 -13.182 0.075 320 HG3 MET 41 HG3 MET 41 -3.524 -11.867 0.526 321 HE1 MET 41 HE1 MET 41 -6.055 -13.190 -2.205 322 HE2 MET 41 HE2 MET 41 -4.580 -12.952 -3.145 323 HE3 MET 41 HE3 MET 41 -5.971 -11.897 -3.398 324 H GLY 42 H GLY 42 0.633 -13.640 -0.657 325 HA2 GLY 42 HA2 GLY 42 2.233 -15.187 -1.528 326 HA3 GLY 42 HA3 GLY 42 0.938 -16.102 -2.288 327 H LYS 43 H LYS 43 -0.189 -13.257 -3.036 328 HA LYS 43 HA LYS 43 1.212 -13.068 -5.601 329 HB2 LYS 43 HB2 LYS 43 -1.314 -11.662 -4.632 330 HB3 LYS 43 HB3 LYS 43 -0.616 -11.483 -6.241 331 HG2 LYS 43 HG2 LYS 43 -0.894 -13.998 -6.517 332 HG3 LYS 43 HG3 LYS 43 -1.835 -13.979 -5.027 333 HD2 LYS 43 HD2 LYS 43 -2.506 -12.461 -7.581 334 HD3 LYS 43 HD3 LYS 43 -3.284 -13.943 -7.026 335 HE2 LYS 43 HE2 LYS 43 -4.209 -12.792 -5.093 336 HE3 LYS 43 HE3 LYS 43 -3.321 -11.319 -5.496 337 HZ1 LYS 43 HZ1 LYS 43 -5.396 -12.561 -7.224 338 HZ2 LYS 43 HZ2 LYS 43 -4.614 -11.087 -7.493 339 HZ3 LYS 43 HZ3 LYS 43 -5.671 -11.257 -6.185 340 H VAL 44 H VAL 44 3.050 -12.450 -4.212 341 HA VAL 44 HA VAL 44 3.400 -9.946 -2.973 342 HB VAL 44 HB VAL 44 5.528 -11.719 -4.283 343 HG11 VAL 44 HG11 VAL 44 5.808 -9.691 -2.040 344 HG12 VAL 44 HG12 VAL 44 6.414 -9.513 -3.687 345 HG13 VAL 44 HG13 VAL 44 7.090 -10.753 -2.629 346 HG21 VAL 44 HG21 VAL 44 4.152 -13.047 -2.729 347 HG22 VAL 44 HG22 VAL 44 4.433 -11.867 -1.445 348 HG23 VAL 44 HG23 VAL 44 5.779 -12.822 -2.076 349 H LYS 45 H LYS 45 3.399 -10.926 -6.276 350 HA LYS 45 HA LYS 45 4.960 -8.908 -7.503 351 HB2 LYS 45 HB2 LYS 45 2.817 -10.793 -8.578 352 HB3 LYS 45 HB3 LYS 45 3.651 -9.645 -9.615 353 HG2 LYS 45 HG2 LYS 45 4.662 -11.859 -9.828 354 HG3 LYS 45 HG3 LYS 45 5.814 -10.729 -9.116 355 HD2 LYS 45 HD2 LYS 45 5.364 -11.683 -6.870 356 HD3 LYS 45 HD3 LYS 45 4.190 -12.796 -7.572 357 HE2 LYS 45 HE2 LYS 45 7.165 -12.749 -8.194 358 HE3 LYS 45 HE3 LYS 45 6.361 -13.894 -7.120 359 HZ1 LYS 45 HZ1 LYS 45 6.739 -14.839 -9.302 360 HZ2 LYS 45 HZ2 LYS 45 5.850 -13.605 -10.031 361 HZ3 LYS 45 HZ3 LYS 45 5.081 -14.704 -9.004 362 H GLU 46 H GLU 46 1.465 -9.202 -6.852 363 HA GLU 46 HA GLU 46 0.705 -6.673 -7.982 364 HB2 GLU 46 HB2 GLU 46 -0.747 -8.418 -5.943 365 HB3 GLU 46 HB3 GLU 46 -1.440 -6.998 -6.723 366 HG2 GLU 46 HG2 GLU 46 -1.167 -8.117 -8.935 367 HG3 GLU 46 HG3 GLU 46 -0.569 -9.552 -8.100 368 H ALA 47 H ALA 47 1.605 -7.830 -4.773 369 HA ALA 47 HA ALA 47 1.022 -5.687 -3.121 370 HB1 ALA 47 HB1 ALA 47 2.754 -6.574 -1.620 371 HB2 ALA 47 HB2 ALA 47 3.424 -7.539 -2.939 372 HB3 ALA 47 HB3 ALA 47 1.808 -7.888 -2.324 373 H ILE 48 H ILE 48 3.896 -6.280 -5.097 374 HA ILE 48 HA ILE 48 5.568 -4.173 -4.470 375 HB ILE 48 HB ILE 48 5.069 -5.650 -7.090 376 HG12 ILE 48 HG12 ILE 48 7.397 -5.824 -5.123 377 HG13 ILE 48 HG13 ILE 48 6.022 -6.919 -5.134 378 HG21 ILE 48 HG21 ILE 48 5.990 -3.469 -7.729 379 HG22 ILE 48 HG22 ILE 48 7.185 -4.741 -7.987 380 HG23 ILE 48 HG23 ILE 48 7.319 -3.678 -6.587 381 HD11 ILE 48 HD11 ILE 48 8.079 -6.599 -7.309 382 HD12 ILE 48 HD12 ILE 48 6.657 -7.643 -7.398 383 HD13 ILE 48 HD13 ILE 48 7.900 -7.950 -6.188 384 H GLU 49 H GLU 49 3.047 -4.235 -7.025 385 HA GLU 49 HA GLU 49 3.389 -1.593 -7.940 386 HB2 GLU 49 HB2 GLU 49 0.990 -3.449 -8.138 387 HB3 GLU 49 HB3 GLU 49 1.097 -1.897 -8.968 388 HG2 GLU 49 HG2 GLU 49 3.144 -2.720 -10.149 389 HG3 GLU 49 HG3 GLU 49 2.905 -4.290 -9.384 390 H TYR 50 H TYR 50 1.401 -2.900 -5.344 391 HA TYR 50 HA TYR 50 -0.078 -0.496 -4.832 392 HB2 TYR 50 HB2 TYR 50 0.295 -3.082 -3.292 393 HB3 TYR 50 HB3 TYR 50 -0.597 -1.726 -2.614 394 HD1 TYR 50 HD2 TYR 50 -2.504 -0.723 -4.170 395 HD2 TYR 50 HD1 TYR 50 -0.914 -4.672 -4.578 396 HE1 TYR 50 HE2 TYR 50 -4.520 -1.417 -5.402 397 HE2 TYR 50 HE1 TYR 50 -2.914 -5.358 -5.813 398 HH TYR 50 HH TYR 50 -5.125 -3.152 -7.080 399 H PHE 51 H PHE 51 2.953 -1.846 -3.540 400 HA PHE 51 HA PHE 51 3.278 0.168 -1.490 401 HB2 PHE 51 HB2 PHE 51 5.380 -1.632 -2.765 402 HB3 PHE 51 HB3 PHE 51 5.621 -0.665 -1.319 403 HD1 PHE 51 HD1 PHE 51 2.982 -1.337 0.098 404 HD2 PHE 51 HD2 PHE 51 5.858 -3.786 -1.930 405 HE1 PHE 51 HE1 PHE 51 2.346 -3.264 1.489 406 HE2 PHE 51 HE2 PHE 51 5.198 -5.708 -0.540 407 HZ PHE 51 HZ PHE 51 3.445 -5.445 1.166 408 H LEU 52 H LEU 52 4.071 -0.147 -4.876 409 HA LEU 52 HA LEU 52 6.005 1.971 -5.108 410 HB2 LEU 52 HB2 LEU 52 4.250 0.540 -7.140 411 HB3 LEU 52 HB3 LEU 52 5.315 1.851 -7.620 412 HG LEU 52 HG LEU 52 6.268 -0.746 -6.339 413 HD11 LEU 52 HD11 LEU 52 5.327 -1.179 -8.558 414 HD12 LEU 52 HD12 LEU 52 7.077 -1.385 -8.560 415 HD13 LEU 52 HD13 LEU 52 6.360 0.070 -9.260 416 HD21 LEU 52 HD21 LEU 52 7.781 1.131 -5.907 417 HD22 LEU 52 HD22 LEU 52 7.851 1.497 -7.632 418 HD23 LEU 52 HD23 LEU 52 8.512 -0.023 -7.022 419 H ARG 53 H ARG 53 2.526 1.680 -5.689 420 HA ARG 53 HA ARG 53 1.991 4.389 -6.319 421 HB2 ARG 53 HB2 ARG 53 0.218 2.112 -5.344 422 HB3 ARG 53 HB3 ARG 53 -0.426 3.723 -5.656 423 HG2 ARG 53 HG2 ARG 53 0.360 3.567 -8.003 424 HG3 ARG 53 HG3 ARG 53 0.948 1.935 -7.686 425 HD2 ARG 53 HD2 ARG 53 -1.285 1.106 -7.353 426 HD3 ARG 53 HD3 ARG 53 -1.964 2.734 -7.316 427 HE ARG 53 HE ARG 53 -0.934 1.321 -9.695 428 HH11 ARG 53 HH11 ARG 53 -2.879 3.941 -8.366 429 HH12 ARG 53 HH12 ARG 53 -3.541 4.384 -9.908 430 HH21 ARG 53 HH21 ARG 53 -1.785 1.939 -11.694 431 HH22 ARG 53 HH22 ARG 53 -2.919 3.252 -11.783 432 H ALA 54 H ALA 54 1.781 2.520 -3.270 433 HA ALA 54 HA ALA 54 0.695 4.451 -1.578 434 HB1 ALA 54 HB1 ALA 54 0.932 2.085 -0.923 435 HB2 ALA 54 HB2 ALA 54 1.634 3.151 0.296 436 HB3 ALA 54 HB3 ALA 54 2.684 2.272 -0.822 437 H LYS 55 H LYS 55 4.117 3.732 -2.246 438 HA LYS 55 HA LYS 55 5.291 5.601 -0.486 439 HB2 LYS 55 HB2 LYS 55 6.460 3.621 -1.439 440 HB3 LYS 55 HB3 LYS 55 6.436 4.363 -3.033 441 HG2 LYS 55 HG2 LYS 55 7.922 6.141 -2.273 442 HG3 LYS 55 HG3 LYS 55 7.851 5.535 -0.615 443 HD2 LYS 55 HD2 LYS 55 8.947 3.416 -1.370 444 HD3 LYS 55 HD3 LYS 55 9.060 4.083 -3.003 445 HE2 LYS 55 HE2 LYS 55 10.377 5.260 -0.530 446 HE3 LYS 55 HE3 LYS 55 11.189 4.297 -1.763 447 HZ1 LYS 55 HZ1 LYS 55 9.865 6.907 -2.239 448 HZ2 LYS 55 HZ2 LYS 55 10.707 5.997 -3.385 449 HZ3 LYS 55 HZ3 LYS 55 11.529 6.675 -2.075 450 H LYS 56 H LYS 56 4.232 5.838 -3.829 451 HA LYS 56 HA LYS 56 5.423 8.356 -4.477 452 HB2 LYS 56 HB2 LYS 56 4.768 6.676 -6.170 453 HB3 LYS 56 HB3 LYS 56 3.076 6.881 -5.738 454 HG2 LYS 56 HG2 LYS 56 3.159 9.231 -6.562 455 HG3 LYS 56 HG3 LYS 56 4.862 9.006 -6.980 456 HD2 LYS 56 HD2 LYS 56 3.465 8.766 -8.977 457 HD3 LYS 56 HD3 LYS 56 4.241 7.230 -8.585 458 HE2 LYS 56 HE2 LYS 56 1.927 6.847 -9.240 459 HE3 LYS 56 HE3 LYS 56 2.108 6.460 -7.527 460 HZ1 LYS 56 HZ1 LYS 56 0.096 7.726 -7.949 461 HZ2 LYS 56 HZ2 LYS 56 0.992 8.981 -8.644 462 HZ3 LYS 56 HZ3 LYS 56 1.160 8.634 -7.000 463 H VAL 57 H VAL 57 2.239 7.349 -3.287 464 HA VAL 57 HA VAL 57 1.009 9.929 -3.299 465 HB VAL 57 HB VAL 57 0.261 7.465 -1.637 466 HG11 VAL 57 HG11 VAL 57 -1.395 9.900 -2.389 467 HG12 VAL 57 HG12 VAL 57 -0.779 9.521 -0.779 468 HG13 VAL 57 HG13 VAL 57 -1.993 8.479 -1.525 469 HG21 VAL 57 HG21 VAL 57 -1.357 6.924 -3.410 470 HG22 VAL 57 HG22 VAL 57 0.272 6.987 -4.080 471 HG23 VAL 57 HG23 VAL 57 -0.833 8.329 -4.343 472 H PHE 58 H PHE 58 2.795 8.006 -0.895 473 HA PHE 58 HA PHE 58 2.657 9.823 1.287 474 HB2 PHE 58 HB2 PHE 58 4.581 7.558 0.632 475 HB3 PHE 58 HB3 PHE 58 4.789 8.551 2.070 476 HD1 PHE 58 HD2 PHE 58 2.147 8.886 3.190 477 HD2 PHE 58 HD1 PHE 58 3.825 5.437 1.286 478 HE1 PHE 58 HE2 PHE 58 0.688 7.419 4.525 479 HE2 PHE 58 HE1 PHE 58 2.364 3.989 2.626 480 HZ PHE 58 HZ PHE 58 0.809 4.978 4.243 481 H ASP 59 H ASP 59 4.786 9.603 -1.506 482 HA ASP 59 HA ASP 59 6.769 11.479 -0.672 483 HB2 ASP 59 HB2 ASP 59 7.043 9.868 -2.601 484 HB3 ASP 59 HB3 ASP 59 5.887 10.814 -3.528 485 H ALA 60 H ALA 60 3.700 11.718 -2.441 486 HA ALA 60 HA ALA 60 3.693 14.493 -2.958 487 HB1 ALA 60 HB1 ALA 60 1.251 14.231 -3.258 488 HB2 ALA 60 HB2 ALA 60 1.332 12.629 -2.517 489 HB3 ALA 60 HB3 ALA 60 2.143 12.932 -4.053 490 H GLU 61 H GLU 61 2.621 12.598 -0.165 491 HA GLU 61 HA GLU 61 1.638 14.809 1.384 492 HB2 GLU 61 HB2 GLU 61 2.454 12.006 2.279 493 HB3 GLU 61 HB3 GLU 61 1.497 13.147 3.221 494 HG2 GLU 61 HG2 GLU 61 0.689 11.799 0.643 495 HG3 GLU 61 HG3 GLU 61 0.063 11.464 2.253 496 H HIS 62 H HIS 62 4.728 13.608 0.685 497 HA HIS 62 HA HIS 62 6.818 13.832 1.446 498 HB2 HIS 62 HB2 HIS 62 5.867 16.228 3.063 499 HB3 HIS 62 HB3 HIS 62 7.492 15.930 2.454 500 HD1 HIS 62 HD1 HIS 62 4.787 18.040 1.799 501 HD2 HIS 62 HD2 HIS 62 7.205 15.725 -0.661 502 HE1 HIS 62 HE1 HIS 62 4.498 18.975 -0.511 503 HE2 HIS 62 HE2 HIS 62 5.849 17.470 -1.988 504 H ASP 63 H ASP 63 4.815 12.252 2.897 505 HA ASP 63 HA ASP 63 5.633 12.189 5.675 506 HB2 ASP 63 HB2 ASP 63 3.323 11.595 5.210 507 HB3 ASP 63 HB3 ASP 63 3.807 10.395 4.017 508 H THR 64 H THR 64 7.692 11.639 5.910 509 HA THR 64 HA THR 64 9.169 9.890 4.239 510 HB THR 64 HB THR 64 10.269 11.683 5.524 511 HG1 THR 64 HG1 THR 64 11.273 9.147 6.383 512 HG21 THR 64 HG21 THR 64 9.003 11.560 7.637 513 HG22 THR 64 HG22 THR 64 10.738 11.435 7.933 514 HG23 THR 64 HG23 THR 64 9.726 9.988 7.997 515 H ASP 65 H ASP 65 7.260 9.328 7.119 516 HA ASP 65 HA ASP 65 8.398 6.929 8.042 517 HB2 ASP 65 HB2 ASP 65 6.921 8.148 9.504 518 HB3 ASP 65 HB3 ASP 65 5.605 8.103 8.335 519 H GLY 66 H GLY 66 5.465 7.430 6.077 520 HA2 GLY 66 HA2 GLY 66 4.990 4.666 5.600 521 HA3 GLY 66 HA3 GLY 66 4.174 6.023 4.842 522 H ALA 67 H ALA 67 6.608 7.219 3.753 523 HA ALA 67 HA ALA 67 6.795 5.866 1.275 524 HB1 ALA 67 HB1 ALA 67 8.588 7.466 0.742 525 HB2 ALA 67 HB2 ALA 67 8.684 7.938 2.443 526 HB3 ALA 67 HB3 ALA 67 7.224 8.276 1.513 527 H ARG 68 H ARG 68 8.961 5.954 4.099 528 HA ARG 68 HA ARG 68 10.916 4.136 3.039 529 HB2 ARG 68 HB2 ARG 68 10.408 5.139 5.859 530 HB3 ARG 68 HB3 ARG 68 11.730 4.050 5.448 531 HG2 ARG 68 HG2 ARG 68 12.646 5.772 3.899 532 HG3 ARG 68 HG3 ARG 68 11.349 6.872 4.388 533 HD2 ARG 68 HD2 ARG 68 13.453 7.343 5.602 534 HD3 ARG 68 HD3 ARG 68 12.168 6.843 6.701 535 HE ARG 68 HE ARG 68 13.224 4.599 6.710 536 HH11 ARG 68 HH11 ARG 68 15.256 7.378 5.892 537 HH12 ARG 68 HH12 ARG 68 16.723 6.588 6.384 538 HH21 ARG 68 HH21 ARG 68 15.145 3.591 7.320 539 HH22 ARG 68 HH22 ARG 68 16.655 4.438 7.194 540 H ARG 69 H ARG 69 7.972 3.774 4.953 541 HA ARG 69 HA ARG 69 8.192 1.086 5.767 542 HB2 ARG 69 HB2 ARG 69 5.816 2.866 5.133 543 HB3 ARG 69 HB3 ARG 69 5.555 1.176 5.525 544 HG2 ARG 69 HG2 ARG 69 6.927 3.175 7.341 545 HG3 ARG 69 HG3 ARG 69 5.233 2.697 7.445 546 HD2 ARG 69 HD2 ARG 69 5.983 0.322 7.816 547 HD3 ARG 69 HD3 ARG 69 7.650 0.912 7.869 548 HE ARG 69 HE ARG 69 6.981 2.273 9.817 549 HH11 ARG 69 HH11 ARG 69 5.027 -0.549 9.039 550 HH12 ARG 69 HH12 ARG 69 4.438 -0.729 10.654 551 HH21 ARG 69 HH21 ARG 69 6.172 2.022 11.917 552 HH22 ARG 69 HH22 ARG 69 5.091 0.731 12.278 553 H ALA 70 H ALA 70 6.835 2.531 2.828 554 HA ALA 70 HA ALA 70 6.069 0.092 1.560 555 HB1 ALA 70 HB1 ALA 70 6.439 2.874 0.393 556 HB2 ALA 70 HB2 ALA 70 4.953 2.223 1.087 557 HB3 ALA 70 HB3 ALA 70 5.612 1.523 -0.391 558 H ALA 71 H ALA 71 8.953 2.160 1.452 559 HA ALA 71 HA ALA 71 10.308 0.903 -0.705 560 HB1 ALA 71 HB1 ALA 71 11.496 2.386 1.667 561 HB2 ALA 71 HB2 ALA 71 10.919 3.129 0.178 562 HB3 ALA 71 HB3 ALA 71 12.307 2.045 0.134 563 H LYS 72 H LYS 72 10.321 0.333 2.790 564 HA LYS 72 HA LYS 72 12.348 -1.655 2.928 565 HB2 LYS 72 HB2 LYS 72 11.542 -0.238 4.854 566 HB3 LYS 72 HB3 LYS 72 10.024 -1.110 4.853 567 HG2 LYS 72 HG2 LYS 72 12.644 -2.567 5.319 568 HG3 LYS 72 HG3 LYS 72 11.850 -1.706 6.634 569 HD2 LYS 72 HD2 LYS 72 9.832 -3.127 6.342 570 HD3 LYS 72 HD3 LYS 72 10.626 -3.982 5.018 571 HE2 LYS 72 HE2 LYS 72 11.467 -3.980 7.941 572 HE3 LYS 72 HE3 LYS 72 10.773 -5.327 7.036 573 HZ1 LYS 72 HZ1 LYS 72 12.770 -5.229 5.581 574 HZ2 LYS 72 HZ2 LYS 72 13.113 -5.646 7.183 575 HZ3 LYS 72 HZ3 LYS 72 13.437 -4.083 6.629 576 H SER 73 H SER 73 8.798 -1.763 2.803 577 HA SER 73 HA SER 73 8.541 -4.591 2.953 578 HB2 SER 73 HB2 SER 73 6.779 -2.837 3.573 579 HB3 SER 73 HB3 SER 73 6.445 -2.676 1.847 580 HG SER 73 HG SER 73 5.930 -4.789 3.596 581 H LEU 74 H LEU 74 8.812 -2.303 0.275 582 HA LEU 74 HA LEU 74 8.480 -4.079 -1.899 583 HB2 LEU 74 HB2 LEU 74 9.861 -1.422 -1.533 584 HB3 LEU 74 HB3 LEU 74 10.235 -2.331 -2.985 585 HG LEU 74 HG LEU 74 7.420 -1.545 -2.193 586 HD11 LEU 74 HD11 LEU 74 7.521 0.204 -3.882 587 HD12 LEU 74 HD12 LEU 74 9.225 -0.156 -4.182 588 HD13 LEU 74 HD13 LEU 74 8.719 0.481 -2.615 589 HD21 LEU 74 HD21 LEU 74 7.511 -3.500 -3.642 590 HD22 LEU 74 HD22 LEU 74 8.529 -2.631 -4.794 591 HD23 LEU 74 HD23 LEU 74 6.864 -2.114 -4.517 592 H SER 75 H SER 75 11.369 -3.158 -0.003 593 HA SER 75 HA SER 75 13.274 -4.585 -1.503 594 HB2 SER 75 HB2 SER 75 13.854 -2.848 0.186 595 HB3 SER 75 HB3 SER 75 13.375 -3.948 1.481 596 HG SER 75 HG SER 75 15.235 -4.892 -0.384 597 H GLU 76 H GLU 76 11.209 -5.587 1.217 598 HA GLU 76 HA GLU 76 12.226 -8.249 1.452 599 HB2 GLU 76 HB2 GLU 76 9.423 -7.341 2.238 600 HB3 GLU 76 HB3 GLU 76 10.335 -8.696 2.893 601 HG2 GLU 76 HG2 GLU 76 10.780 -5.746 3.361 602 HG3 GLU 76 HG3 GLU 76 10.354 -6.977 4.541 603 H ALA 77 H ALA 77 9.637 -6.726 -0.396 604 HA ALA 77 HA ALA 77 8.284 -8.983 -1.360 605 HB1 ALA 77 HB1 ALA 77 7.348 -7.476 -3.062 606 HB2 ALA 77 HB2 ALA 77 8.580 -6.266 -2.684 607 HB3 ALA 77 HB3 ALA 77 7.367 -6.701 -1.479 608 H TYR 78 H TYR 78 10.950 -7.100 -2.834 609 HA TYR 78 HA TYR 78 11.168 -8.707 -5.185 610 HB2 TYR 78 HB2 TYR 78 13.085 -6.689 -3.950 611 HB3 TYR 78 HB3 TYR 78 13.365 -7.468 -5.501 612 HD1 TYR 78 HD2 TYR 78 11.322 -7.206 -7.255 613 HD2 TYR 78 HD1 TYR 78 12.070 -4.572 -3.970 614 HE1 TYR 78 HE2 TYR 78 10.036 -5.425 -8.371 615 HE2 TYR 78 HE1 TYR 78 10.799 -2.805 -5.087 616 HH TYR 78 HH TYR 78 10.049 -2.163 -7.257 617 H GLN 79 H GLN 79 12.613 -8.927 -1.963 618 HA GLN 79 HA GLN 79 14.647 -10.843 -2.585 619 HB2 GLN 79 HB2 GLN 79 13.233 -10.166 0.027 620 HB3 GLN 79 HB3 GLN 79 14.485 -11.402 -0.068 621 HG2 GLN 79 HG2 GLN 79 16.122 -9.733 -0.800 622 HG3 GLN 79 HG3 GLN 79 14.881 -8.481 -0.786 623 HE21 GLN 79 HE21 GLN 79 14.088 -7.738 1.256 624 HE22 GLN 79 HE22 GLN 79 14.965 -8.007 2.717 625 H LYS 80 H LYS 80 11.198 -11.099 -1.991 626 HA LYS 80 HA LYS 80 11.147 -13.990 -1.750 627 HB2 LYS 80 HB2 LYS 80 8.900 -11.967 -2.148 628 HB3 LYS 80 HB3 LYS 80 8.650 -13.689 -1.867 629 HG2 LYS 80 HG2 LYS 80 9.764 -13.469 0.348 630 HG3 LYS 80 HG3 LYS 80 9.931 -11.730 0.071 631 HD2 LYS 80 HD2 LYS 80 7.477 -11.490 -0.020 632 HD3 LYS 80 HD3 LYS 80 7.281 -13.235 0.168 633 HE2 LYS 80 HE2 LYS 80 8.353 -13.069 2.414 634 HE3 LYS 80 HE3 LYS 80 8.427 -11.316 2.221 635 HZ1 LYS 80 HZ1 LYS 80 5.898 -12.871 2.102 636 HZ2 LYS 80 HZ2 LYS 80 6.064 -11.193 2.192 637 HZ3 LYS 80 HZ3 LYS 80 6.489 -12.157 3.512 638 H VAL 81 H VAL 81 10.343 -11.583 -4.239 639 HA VAL 81 HA VAL 81 9.348 -13.339 -6.240 640 HB VAL 81 HB VAL 81 10.512 -10.512 -6.439 641 HG11 VAL 81 HG11 VAL 81 9.427 -10.310 -8.654 642 HG12 VAL 81 HG12 VAL 81 8.950 -12.009 -8.583 643 HG13 VAL 81 HG13 VAL 81 10.659 -11.576 -8.664 644 HG21 VAL 81 HG21 VAL 81 8.474 -10.669 -5.063 645 HG22 VAL 81 HG22 VAL 81 7.625 -11.466 -6.387 646 HG23 VAL 81 HG23 VAL 81 8.149 -9.791 -6.559 647 H GLU 82 H GLU 82 12.533 -11.939 -5.627 648 HA GLU 82 HA GLU 82 13.818 -13.602 -7.716 649 HB2 GLU 82 HB2 GLU 82 14.903 -11.179 -6.199 650 HB3 GLU 82 HB3 GLU 82 15.709 -12.016 -7.526 651 HG2 GLU 82 HG2 GLU 82 13.941 -11.312 -9.074 652 HG3 GLU 82 HG3 GLU 82 13.079 -10.530 -7.747 653 H GLY 83 H GLY 83 12.922 -14.717 -5.183 654 HA2 GLY 83 HA2 GLY 83 15.176 -15.122 -3.429 655 HA3 GLY 83 HA3 GLY 83 13.641 -15.975 -3.397 656 H SER 84 H SER 84 16.570 -15.714 -5.389 657 HA SER 84 HA SER 84 16.274 -18.290 -6.634 658 HB2 SER 84 HB2 SER 84 18.684 -16.414 -6.540 659 HB3 SER 84 HB3 SER 84 18.440 -17.746 -7.679 660 HG SER 84 HG SER 84 17.384 -15.206 -7.688 661 H GLY 85 H GLY 85 18.286 -16.888 -4.080 662 HA2 GLY 85 HA2 GLY 85 19.242 -19.545 -3.189 663 HA3 GLY 85 HA3 GLY 85 19.909 -17.979 -2.738 664 H ASP 86 H ASP 86 16.467 -18.484 -2.794 665 HA ASP 86 HA ASP 86 16.194 -18.155 0.094 666 HB2 ASP 86 HB2 ASP 86 14.697 -17.019 -1.627 667 HB3 ASP 86 HB3 ASP 86 14.048 -18.591 -2.054 668 H LYS 87 H LYS 87 14.600 -19.757 1.227 669 HA LYS 87 HA LYS 87 15.412 -22.472 1.062 670 HB2 LYS 87 HB2 LYS 87 14.523 -21.467 3.124 671 HB3 LYS 87 HB3 LYS 87 12.972 -21.175 2.353 672 HG2 LYS 87 HG2 LYS 87 12.840 -23.065 3.894 673 HG3 LYS 87 HG3 LYS 87 12.547 -23.596 2.235 674 HD2 LYS 87 HD2 LYS 87 14.895 -24.423 2.113 675 HD3 LYS 87 HD3 LYS 87 15.151 -23.921 3.789 676 HE2 LYS 87 HE2 LYS 87 14.696 -26.333 3.648 677 HE3 LYS 87 HE3 LYS 87 13.403 -25.515 4.523 678 HZ1 LYS 87 HZ1 LYS 87 12.529 -27.119 2.957 679 HZ2 LYS 87 HZ2 LYS 87 13.308 -26.353 1.671 680 HZ3 LYS 87 HZ3 LYS 87 12.068 -25.562 2.502 681 H GLY 88 H GLY 88 12.781 -20.695 -0.419 682 HA2 GLY 88 HA2 GLY 88 11.784 -21.167 -2.459 683 HA3 GLY 88 HA3 GLY 88 12.321 -22.834 -2.348 684 H LYS 89 H LYS 89 11.279 -24.077 -0.471 685 HA LYS 89 HA LYS 89 8.386 -23.454 -0.296 686 HB2 LYS 89 HB2 LYS 89 9.700 -26.213 -0.508 687 HB3 LYS 89 HB3 LYS 89 7.973 -25.923 -0.303 688 HG2 LYS 89 HG2 LYS 89 7.855 -24.885 -2.522 689 HG3 LYS 89 HG3 LYS 89 9.603 -25.056 -2.712 690 HD2 LYS 89 HD2 LYS 89 9.343 -27.544 -2.589 691 HD3 LYS 89 HD3 LYS 89 7.592 -27.334 -2.489 692 HE2 LYS 89 HE2 LYS 89 9.351 -26.490 -4.821 693 HE3 LYS 89 HE3 LYS 89 8.302 -27.907 -4.780 694 HZ1 LYS 89 HZ1 LYS 89 7.226 -26.140 -5.961 695 HZ2 LYS 89 HZ2 LYS 89 7.439 -25.064 -4.676 696 HZ3 LYS 89 HZ3 LYS 89 6.398 -26.384 -4.509 697 H ILE 90 H ILE 90 7.631 -23.291 1.668 698 HA ILE 90 HA ILE 90 8.751 -24.873 3.887 699 HB ILE 90 HB ILE 90 8.077 -22.869 5.423 700 HG12 ILE 90 HG12 ILE 90 8.389 -21.332 2.794 701 HG13 ILE 90 HG13 ILE 90 6.890 -21.522 3.695 702 HG21 ILE 90 HG21 ILE 90 10.301 -21.835 5.268 703 HG22 ILE 90 HG22 ILE 90 10.548 -22.574 3.686 704 HG23 ILE 90 HG23 ILE 90 10.407 -23.592 5.118 705 HD11 ILE 90 HD11 ILE 90 7.798 -19.334 4.048 706 HD12 ILE 90 HD12 ILE 90 9.338 -20.004 4.582 707 HD13 ILE 90 HD13 ILE 90 7.885 -20.243 5.556 708 H PHE 91 H PHE 91 7.176 -26.344 4.122 709 HA PHE 91 HA PHE 91 4.348 -25.689 4.086 710 HB2 PHE 91 HB2 PHE 91 5.273 -27.945 3.388 711 HB3 PHE 91 HB3 PHE 91 5.705 -28.244 5.065 712 HD1 PHE 91 HD1 PHE 91 2.833 -27.680 2.758 713 HD2 PHE 91 HD2 PHE 91 4.030 -29.055 6.636 714 HE1 PHE 91 HE1 PHE 91 0.582 -28.578 3.145 715 HE2 PHE 91 HE2 PHE 91 1.770 -29.952 7.006 716 HZ PHE 91 HZ PHE 91 0.042 -29.716 5.267 717 H GLN 92 H GLN 92 4.713 -23.922 5.557 718 HA GLN 92 HA GLN 92 4.311 -24.591 8.392 719 HB2 GLN 92 HB2 GLN 92 6.307 -22.483 7.389 720 HB3 GLN 92 HB3 GLN 92 5.797 -22.657 9.063 721 HG2 GLN 92 HG2 GLN 92 6.817 -24.938 9.087 722 HG3 GLN 92 HG3 GLN 92 7.410 -24.648 7.450 723 HE21 GLN 92 HE21 GLN 92 9.086 -23.092 7.145 724 HE22 GLN 92 HE22 GLN 92 10.067 -22.545 8.455 725 H LYS 93 H LYS 93 3.443 -22.609 9.551 726 HA LYS 93 HA LYS 93 2.185 -20.603 7.764 727 HB2 LYS 93 HB2 LYS 93 0.469 -22.204 8.674 728 HB3 LYS 93 HB3 LYS 93 0.932 -21.740 10.309 729 HG2 LYS 93 HG2 LYS 93 0.168 -19.441 9.927 730 HG3 LYS 93 HG3 LYS 93 -0.188 -19.805 8.237 731 HD2 LYS 93 HD2 LYS 93 -1.580 -21.084 10.627 732 HD3 LYS 93 HD3 LYS 93 -2.237 -19.758 9.667 733 HE2 LYS 93 HE2 LYS 93 -2.250 -21.219 7.666 734 HE3 LYS 93 HE3 LYS 93 -1.606 -22.549 8.637 735 HZ1 LYS 93 HZ1 LYS 93 -3.977 -22.770 8.414 736 HZ2 LYS 93 HZ2 LYS 93 -4.235 -21.210 9.004 737 HZ3 LYS 93 HZ3 LYS 93 -3.615 -22.406 10.024 738 H GLU 94 H GLU 94 4.126 -19.489 8.109 739 HA GLU 94 HA GLU 94 4.595 -18.324 10.784 740 HB2 GLU 94 HB2 GLU 94 6.408 -19.537 9.055 741 HB3 GLU 94 HB3 GLU 94 6.597 -17.859 8.588 742 HG2 GLU 94 HG2 GLU 94 6.992 -19.009 11.363 743 HG3 GLU 94 HG3 GLU 94 8.263 -18.511 10.256 744 H GLY 95 H GLY 95 4.600 -16.050 11.002 745 HA2 GLY 95 HA2 GLY 95 4.133 -13.827 10.413 746 HA3 GLY 95 HA3 GLY 95 3.756 -14.330 8.769 747 H GLU 96 H GLU 96 2.577 -15.425 11.922 748 HA GLU 96 HA GLU 96 -0.140 -15.675 11.073 749 HB2 GLU 96 HB2 GLU 96 1.117 -15.798 13.843 750 HB3 GLU 96 HB3 GLU 96 -0.549 -16.257 13.485 751 HG2 GLU 96 HG2 GLU 96 0.222 -18.074 12.045 752 HG3 GLU 96 HG3 GLU 96 1.897 -17.572 12.270 753 H SER 97 H SER 97 -1.806 -14.260 11.250 754 HA SER 97 HA SER 97 -1.467 -11.554 12.124 755 HB2 SER 97 HB2 SER 97 -4.031 -13.080 11.485 756 HB3 SER 97 HB3 SER 97 -3.846 -11.325 11.531 757 HG SER 97 HG SER 97 -3.747 -12.454 9.410 758 H ILE 98 H ILE 98 -1.212 -11.140 14.270 759 HA ILE 98 HA ILE 98 -2.223 -12.680 16.425 760 HB ILE 98 HB ILE 98 -1.124 -9.825 16.371 761 HG12 ILE 98 HG12 ILE 98 0.750 -10.937 17.776 762 HG13 ILE 98 HG13 ILE 98 0.044 -12.483 17.332 763 HG21 ILE 98 HG21 ILE 98 -1.084 -9.838 18.862 764 HG22 ILE 98 HG22 ILE 98 -1.981 -11.357 18.857 765 HG23 ILE 98 HG23 ILE 98 -2.732 -9.890 18.228 766 HD11 ILE 98 HD11 ILE 98 0.504 -11.992 14.968 767 HD12 ILE 98 HD12 ILE 98 1.965 -11.957 15.955 768 HD13 ILE 98 HD13 ILE 98 1.217 -10.447 15.438 769 H LEU 99 H LEU 99 -4.239 -12.767 17.208 770 HA LEU 99 HA LEU 99 -6.361 -11.408 15.831 771 HB2 LEU 99 HB2 LEU 99 -6.473 -13.317 18.209 772 HB3 LEU 99 HB3 LEU 99 -7.871 -12.754 17.311 773 HG LEU 99 HG LEU 99 -7.467 -14.963 16.523 774 HD11 LEU 99 HD11 LEU 99 -6.227 -13.165 14.427 775 HD12 LEU 99 HD12 LEU 99 -7.954 -13.389 14.712 776 HD13 LEU 99 HD13 LEU 99 -6.974 -14.744 14.159 777 HD21 LEU 99 HD21 LEU 99 -4.530 -14.321 16.086 778 HD22 LEU 99 HD22 LEU 99 -5.328 -15.862 15.744 779 HD23 LEU 99 HD23 LEU 99 -5.189 -15.290 17.405 780 H GLU 100 H GLU 100 -4.824 -11.044 18.971 781 HA GLU 100 HA GLU 100 -5.693 -8.359 19.267 782 HB2 GLU 100 HB2 GLU 100 -7.800 -9.390 20.053 783 HB3 GLU 100 HB3 GLU 100 -6.913 -10.364 21.218 784 HG2 GLU 100 HG2 GLU 100 -8.044 -8.474 22.307 785 HG3 GLU 100 HG3 GLU 100 -6.296 -8.346 22.480 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -12.790 -15.627 10.888 2 H2 GLY 1 H2 GLY 1 -14.065 -14.543 11.111 3 H3 GLY 1 H3 GLY 1 -12.748 -14.525 12.172 4 HA2 GLY 1 HA2 GLY 1 -12.611 -12.679 10.639 5 HA3 GLY 1 HA3 GLY 1 -11.284 -13.808 10.400 6 H GLY 2 H GLY 2 -11.200 -12.679 8.288 7 HA2 GLY 2 HA2 GLY 2 -12.736 -14.212 6.262 8 HA3 GLY 2 HA3 GLY 2 -12.630 -12.455 6.130 9 H SER 3 H SER 3 -11.701 -14.038 4.097 10 HA SER 3 HA SER 3 -8.920 -14.642 4.209 11 HB2 SER 3 HB2 SER 3 -9.106 -14.739 1.696 12 HB3 SER 3 HB3 SER 3 -10.347 -15.687 2.508 13 HG SER 3 HG SER 3 -11.858 -14.186 1.977 14 HA PRO 4 HA PRO 4 -6.917 -10.611 3.777 15 HB2 PRO 4 HB2 PRO 4 -5.058 -11.270 1.705 16 HB3 PRO 4 HB3 PRO 4 -4.789 -11.413 3.452 17 HG2 PRO 4 HG2 PRO 4 -5.614 -13.517 1.504 18 HG3 PRO 4 HG3 PRO 4 -4.538 -13.639 2.913 19 HD2 PRO 4 HD2 PRO 4 -7.033 -14.597 3.038 20 HD3 PRO 4 HD3 PRO 4 -6.326 -13.762 4.441 21 H ASP 5 H ASP 5 -7.983 -12.293 0.860 22 HA ASP 5 HA ASP 5 -8.193 -10.179 -0.961 23 HB2 ASP 5 HB2 ASP 5 -8.426 -12.555 -1.607 24 HB3 ASP 5 HB3 ASP 5 -9.926 -12.681 -0.693 25 H GLU 6 H GLU 6 -10.534 -11.353 1.457 26 HA GLU 6 HA GLU 6 -12.616 -9.505 0.838 27 HB2 GLU 6 HB2 GLU 6 -12.083 -11.216 3.300 28 HB3 GLU 6 HB3 GLU 6 -13.509 -10.195 3.148 29 HG2 GLU 6 HG2 GLU 6 -12.775 -12.484 1.300 30 HG3 GLU 6 HG3 GLU 6 -13.980 -12.548 2.585 31 H ASN 7 H ASN 7 -9.902 -9.443 3.141 32 HA ASN 7 HA ASN 7 -10.731 -7.159 4.617 33 HB2 ASN 7 HB2 ASN 7 -7.953 -8.361 4.274 34 HB3 ASN 7 HB3 ASN 7 -8.324 -7.051 5.396 35 HD21 ASN 7 HD21 ASN 7 -8.554 -10.459 4.834 36 HD22 ASN 7 HD22 ASN 7 -9.223 -10.876 6.367 37 H ILE 8 H ILE 8 -8.917 -7.520 1.628 38 HA ILE 8 HA ILE 8 -7.826 -5.010 1.195 39 HB ILE 8 HB ILE 8 -9.082 -6.963 -0.777 40 HG12 ILE 8 HG12 ILE 8 -6.143 -6.350 -0.273 41 HG13 ILE 8 HG13 ILE 8 -7.021 -7.639 0.534 42 HG21 ILE 8 HG21 ILE 8 -7.922 -5.774 -2.631 43 HG22 ILE 8 HG22 ILE 8 -7.456 -4.499 -1.505 44 HG23 ILE 8 HG23 ILE 8 -9.159 -4.769 -1.871 45 HD11 ILE 8 HD11 ILE 8 -6.514 -7.425 -2.424 46 HD12 ILE 8 HD12 ILE 8 -7.428 -8.709 -1.627 47 HD13 ILE 8 HD13 ILE 8 -5.712 -8.504 -1.282 48 H ALA 9 H ALA 9 -11.169 -6.091 0.645 49 HA ALA 9 HA ALA 9 -12.225 -3.904 -0.728 50 HB1 ALA 9 HB1 ALA 9 -14.427 -4.726 0.005 51 HB2 ALA 9 HB2 ALA 9 -13.655 -5.735 1.230 52 HB3 ALA 9 HB3 ALA 9 -13.384 -6.061 -0.482 53 H LYS 10 H LYS 10 -11.886 -4.453 2.738 54 HA LYS 10 HA LYS 10 -13.336 -2.206 3.687 55 HB2 LYS 10 HB2 LYS 10 -12.863 -4.194 5.073 56 HB3 LYS 10 HB3 LYS 10 -11.137 -3.855 4.998 57 HG2 LYS 10 HG2 LYS 10 -11.498 -1.754 6.258 58 HG3 LYS 10 HG3 LYS 10 -13.229 -2.107 6.342 59 HD2 LYS 10 HD2 LYS 10 -12.755 -4.163 7.639 60 HD3 LYS 10 HD3 LYS 10 -11.021 -3.842 7.526 61 HE2 LYS 10 HE2 LYS 10 -11.368 -1.727 8.791 62 HE3 LYS 10 HE3 LYS 10 -13.079 -2.131 8.959 63 HZ1 LYS 10 HZ1 LYS 10 -11.672 -2.711 10.898 64 HZ2 LYS 10 HZ2 LYS 10 -10.877 -3.857 9.939 65 HZ3 LYS 10 HZ3 LYS 10 -12.529 -4.018 10.254 66 H PHE 11 H PHE 11 -9.898 -2.765 2.952 67 HA PHE 11 HA PHE 11 -8.949 -0.193 3.756 68 HB2 PHE 11 HB2 PHE 11 -7.677 -2.157 1.804 69 HB3 PHE 11 HB3 PHE 11 -6.863 -0.782 2.549 70 HD1 PHE 11 HD2 PHE 11 -7.575 -0.904 5.355 71 HD2 PHE 11 HD1 PHE 11 -6.735 -4.141 2.671 72 HE1 PHE 11 HE2 PHE 11 -6.920 -2.323 7.253 73 HE2 PHE 11 HE1 PHE 11 -6.081 -5.546 4.580 74 HZ PHE 11 HZ PHE 11 -6.176 -4.641 6.870 75 H GLU 12 H GLU 12 -10.370 -1.461 0.807 76 HA GLU 12 HA GLU 12 -9.704 0.749 -0.906 77 HB2 GLU 12 HB2 GLU 12 -11.797 -1.448 -1.182 78 HB3 GLU 12 HB3 GLU 12 -11.474 -0.240 -2.427 79 HG2 GLU 12 HG2 GLU 12 -9.149 -1.030 -2.613 80 HG3 GLU 12 HG3 GLU 12 -9.455 -2.237 -1.363 81 H LYS 13 H LYS 13 -12.430 -0.044 1.225 82 HA LYS 13 HA LYS 13 -14.086 2.161 0.457 83 HB2 LYS 13 HB2 LYS 13 -14.037 0.567 3.056 84 HB3 LYS 13 HB3 LYS 13 -15.281 1.739 2.635 85 HG2 LYS 13 HG2 LYS 13 -14.697 -0.885 1.235 86 HG3 LYS 13 HG3 LYS 13 -16.112 -0.493 2.209 87 HD2 LYS 13 HD2 LYS 13 -15.392 0.727 -0.490 88 HD3 LYS 13 HD3 LYS 13 -16.663 -0.452 -0.181 89 HE2 LYS 13 HE2 LYS 13 -17.874 1.188 1.200 90 HE3 LYS 13 HE3 LYS 13 -16.593 2.373 0.930 91 HZ1 LYS 13 HZ1 LYS 13 -17.085 2.376 -1.394 92 HZ2 LYS 13 HZ2 LYS 13 -18.509 2.682 -0.539 93 HZ3 LYS 13 HZ3 LYS 13 -18.240 1.153 -1.214 94 H ALA 14 H ALA 14 -11.581 1.667 2.875 95 HA ALA 14 HA ALA 14 -11.645 4.255 4.056 96 HB1 ALA 14 HB1 ALA 14 -9.453 3.631 5.009 97 HB2 ALA 14 HB2 ALA 14 -9.386 2.225 3.941 98 HB3 ALA 14 HB3 ALA 14 -10.625 2.323 5.194 99 H TYR 15 H TYR 15 -10.168 2.905 1.187 100 HA TYR 15 HA TYR 15 -8.232 4.949 0.653 101 HB2 TYR 15 HB2 TYR 15 -7.971 2.657 -0.220 102 HB3 TYR 15 HB3 TYR 15 -9.467 2.792 -1.129 103 HD1 TYR 15 HD2 TYR 15 -5.976 4.096 -0.916 104 HD2 TYR 15 HD1 TYR 15 -9.442 3.718 -3.374 105 HE1 TYR 15 HE2 TYR 15 -4.696 4.881 -2.839 106 HE2 TYR 15 HE1 TYR 15 -8.158 4.508 -5.308 107 HH TYR 15 HH TYR 15 -6.094 5.888 -5.715 108 H LYS 16 H LYS 16 -11.540 4.271 -0.497 109 HA LYS 16 HA LYS 16 -11.542 6.398 -2.451 110 HB2 LYS 16 HB2 LYS 16 -13.846 4.690 -1.421 111 HB3 LYS 16 HB3 LYS 16 -13.937 5.790 -2.792 112 HG2 LYS 16 HG2 LYS 16 -12.204 3.310 -2.607 113 HG3 LYS 16 HG3 LYS 16 -13.685 3.480 -3.551 114 HD2 LYS 16 HD2 LYS 16 -12.591 5.178 -4.981 115 HD3 LYS 16 HD3 LYS 16 -11.119 5.063 -4.010 116 HE2 LYS 16 HE2 LYS 16 -10.864 3.770 -6.066 117 HE3 LYS 16 HE3 LYS 16 -10.886 2.679 -4.683 118 HZ1 LYS 16 HZ1 LYS 16 -12.223 1.815 -6.465 119 HZ2 LYS 16 HZ2 LYS 16 -13.150 3.230 -6.529 120 HZ3 LYS 16 HZ3 LYS 16 -13.229 2.225 -5.169 121 H LYS 17 H LYS 17 -12.765 5.976 0.850 122 HA LYS 17 HA LYS 17 -14.071 8.504 1.044 123 HB2 LYS 17 HB2 LYS 17 -14.481 6.676 2.703 124 HB3 LYS 17 HB3 LYS 17 -12.831 6.846 3.295 125 HG2 LYS 17 HG2 LYS 17 -14.430 7.980 4.794 126 HG3 LYS 17 HG3 LYS 17 -13.315 9.139 4.060 127 HD2 LYS 17 HD2 LYS 17 -15.150 9.587 2.311 128 HD3 LYS 17 HD3 LYS 17 -16.234 8.652 3.341 129 HE2 LYS 17 HE2 LYS 17 -14.747 11.159 4.189 130 HE3 LYS 17 HE3 LYS 17 -16.436 11.103 3.687 131 HZ1 LYS 17 HZ1 LYS 17 -16.884 9.629 5.563 132 HZ2 LYS 17 HZ2 LYS 17 -16.255 11.116 6.069 133 HZ3 LYS 17 HZ3 LYS 17 -15.267 9.746 6.053 134 H ALA 18 H ALA 18 -10.798 7.370 1.872 135 HA ALA 18 HA ALA 18 -9.534 9.686 2.747 136 HB1 ALA 18 HB1 ALA 18 -7.477 8.640 1.890 137 HB2 ALA 18 HB2 ALA 18 -8.446 7.491 0.962 138 HB3 ALA 18 HB3 ALA 18 -8.506 7.476 2.726 139 H GLU 19 H GLU 19 -10.122 8.525 -0.561 140 HA GLU 19 HA GLU 19 -8.587 10.340 -2.050 141 HB2 GLU 19 HB2 GLU 19 -9.337 8.221 -2.996 142 HB3 GLU 19 HB3 GLU 19 -11.025 8.685 -2.815 143 HG2 GLU 19 HG2 GLU 19 -10.688 10.486 -4.504 144 HG3 GLU 19 HG3 GLU 19 -9.016 9.968 -4.700 145 H GLU 20 H GLU 20 -12.083 10.385 -1.249 146 HA GLU 20 HA GLU 20 -12.606 12.819 -2.705 147 HB2 GLU 20 HB2 GLU 20 -14.868 12.682 -1.788 148 HB3 GLU 20 HB3 GLU 20 -14.356 11.101 -2.377 149 HG2 GLU 20 HG2 GLU 20 -13.858 10.392 -0.072 150 HG3 GLU 20 HG3 GLU 20 -14.355 11.975 0.529 151 H LEU 21 H LEU 21 -11.509 12.098 0.498 152 HA LEU 21 HA LEU 21 -11.926 14.770 1.562 153 HB2 LEU 21 HB2 LEU 21 -10.269 12.443 2.604 154 HB3 LEU 21 HB3 LEU 21 -10.537 13.941 3.480 155 HG LEU 21 HG LEU 21 -12.746 11.995 2.706 156 HD11 LEU 21 HD11 LEU 21 -11.253 10.950 4.327 157 HD12 LEU 21 HD12 LEU 21 -12.811 11.324 5.059 158 HD13 LEU 21 HD13 LEU 21 -11.407 12.342 5.405 159 HD21 LEU 21 HD21 LEU 21 -12.827 14.426 4.521 160 HD22 LEU 21 HD22 LEU 21 -14.151 13.290 4.250 161 HD23 LEU 21 HD23 LEU 21 -13.564 14.283 2.921 162 H ASN 22 H ASN 22 -9.790 13.416 -0.631 163 HA ASN 22 HA ASN 22 -7.866 13.986 -1.656 164 HB2 ASN 22 HB2 ASN 22 -8.927 16.269 -1.705 165 HB3 ASN 22 HB3 ASN 22 -8.125 16.658 -0.192 166 HD21 ASN 22 HD21 ASN 22 -5.939 17.228 -0.245 167 HD22 ASN 22 HD22 ASN 22 -5.070 17.509 -1.711 168 H GLN 23 H GLN 23 -7.949 12.812 1.123 169 HA GLN 23 HA GLN 23 -5.348 13.570 2.250 170 HB2 GLN 23 HB2 GLN 23 -7.516 11.712 3.318 171 HB3 GLN 23 HB3 GLN 23 -5.980 12.024 4.128 172 HG2 GLN 23 HG2 GLN 23 -6.641 14.490 4.160 173 HG3 GLN 23 HG3 GLN 23 -8.248 13.977 3.639 174 HE21 GLN 23 HE21 GLN 23 -9.538 12.797 5.118 175 HE22 GLN 23 HE22 GLN 23 -9.194 12.757 6.805 176 H GLY 24 H GLY 24 -3.987 12.793 0.741 177 HA2 GLY 24 HA2 GLY 24 -4.068 10.208 -0.430 178 HA3 GLY 24 HA3 GLY 24 -2.727 11.337 -0.469 179 H GLU 25 H GLU 25 -2.741 11.403 2.595 180 HA GLU 25 HA GLU 25 -0.764 9.434 3.070 181 HB2 GLU 25 HB2 GLU 25 -1.024 10.028 5.486 182 HB3 GLU 25 HB3 GLU 25 -0.810 11.429 4.447 183 HG2 GLU 25 HG2 GLU 25 -3.102 12.072 4.650 184 HG3 GLU 25 HG3 GLU 25 -3.551 10.519 5.359 185 H LEU 26 H LEU 26 -4.233 9.530 3.862 186 HA LEU 26 HA LEU 26 -4.498 6.988 5.072 187 HB2 LEU 26 HB2 LEU 26 -6.433 8.761 3.552 188 HB3 LEU 26 HB3 LEU 26 -6.940 7.256 4.295 189 HG LEU 26 HG LEU 26 -5.770 9.587 5.866 190 HD11 LEU 26 HD11 LEU 26 -8.696 8.841 5.478 191 HD12 LEU 26 HD12 LEU 26 -7.895 10.247 4.776 192 HD13 LEU 26 HD13 LEU 26 -8.072 10.124 6.523 193 HD21 LEU 26 HD21 LEU 26 -5.541 7.379 6.946 194 HD22 LEU 26 HD22 LEU 26 -7.280 7.108 6.741 195 HD23 LEU 26 HD23 LEU 26 -6.704 8.399 7.799 196 H MET 27 H MET 27 -4.788 8.109 1.693 197 HA MET 27 HA MET 27 -5.652 5.696 0.516 198 HB2 MET 27 HB2 MET 27 -4.146 8.033 -0.720 199 HB3 MET 27 HB3 MET 27 -4.793 6.691 -1.650 200 HG2 MET 27 HG2 MET 27 -7.068 7.325 -0.603 201 HG3 MET 27 HG3 MET 27 -6.287 8.855 -0.198 202 HE1 MET 27 HE1 MET 27 -5.110 10.399 -2.133 203 HE2 MET 27 HE2 MET 27 -5.268 10.052 -3.857 204 HE3 MET 27 HE3 MET 27 -4.289 8.998 -2.834 205 H GLY 28 H GLY 28 -2.437 6.932 1.222 206 HA2 GLY 28 HA2 GLY 28 -0.912 5.033 -0.251 207 HA3 GLY 28 HA3 GLY 28 -0.338 6.065 1.052 208 H ARG 29 H ARG 29 -1.967 5.265 3.151 209 HA ARG 29 HA ARG 29 -0.679 2.910 4.112 210 HB2 ARG 29 HB2 ARG 29 -3.160 4.283 5.241 211 HB3 ARG 29 HB3 ARG 29 -2.132 3.133 6.100 212 HG2 ARG 29 HG2 ARG 29 -0.271 4.717 6.052 213 HG3 ARG 29 HG3 ARG 29 -1.227 5.836 5.087 214 HD2 ARG 29 HD2 ARG 29 -2.893 5.637 7.194 215 HD3 ARG 29 HD3 ARG 29 -1.393 5.241 8.021 216 HE ARG 29 HE ARG 29 -2.287 7.777 7.306 217 HH11 ARG 29 HH11 ARG 29 0.816 6.055 7.120 218 HH12 ARG 29 HH12 ARG 29 1.735 7.524 7.191 219 HH21 ARG 29 HH21 ARG 29 -1.062 9.606 7.476 220 HH22 ARG 29 HH22 ARG 29 0.666 9.517 7.398 221 H ALA 30 H ALA 30 -3.805 3.586 2.653 222 HA ALA 30 HA ALA 30 -5.113 1.126 3.057 223 HB1 ALA 30 HB1 ALA 30 -5.448 3.090 0.759 224 HB2 ALA 30 HB2 ALA 30 -6.290 3.161 2.309 225 HB3 ALA 30 HB3 ALA 30 -6.584 1.813 1.207 226 H LEU 31 H LEU 31 -3.208 2.329 0.252 227 HA LEU 31 HA LEU 31 -3.251 -0.060 -1.271 228 HB2 LEU 31 HB2 LEU 31 -1.253 2.243 -1.290 229 HB3 LEU 31 HB3 LEU 31 -1.283 0.962 -2.494 230 HG LEU 31 HG LEU 31 -3.515 2.973 -2.012 231 HD11 LEU 31 HD11 LEU 31 -1.553 4.023 -3.030 232 HD12 LEU 31 HD12 LEU 31 -2.890 3.937 -4.174 233 HD13 LEU 31 HD13 LEU 31 -1.540 2.804 -4.310 234 HD21 LEU 31 HD21 LEU 31 -3.298 0.796 -4.123 235 HD22 LEU 31 HD22 LEU 31 -4.553 2.035 -4.041 236 HD23 LEU 31 HD23 LEU 31 -4.426 0.832 -2.762 237 H TYR 32 H TYR 32 -1.079 1.115 1.241 238 HA TYR 32 HA TYR 32 1.016 -0.755 0.989 239 HB2 TYR 32 HB2 TYR 32 1.303 1.300 2.321 240 HB3 TYR 32 HB3 TYR 32 0.043 0.792 3.443 241 HD1 TYR 32 HD2 TYR 32 3.455 -0.118 2.192 242 HD2 TYR 32 HD1 TYR 32 0.626 -0.556 5.373 243 HE1 TYR 32 HE2 TYR 32 5.146 -1.274 3.541 244 HE2 TYR 32 HE1 TYR 32 2.328 -1.711 6.720 245 HH TYR 32 HH TYR 32 4.483 -3.120 6.132 246 H ASN 33 H ASN 33 -1.947 -0.759 2.992 247 HA ASN 33 HA ASN 33 -1.471 -3.250 4.284 248 HB2 ASN 33 HB2 ASN 33 -4.037 -1.649 3.945 249 HB3 ASN 33 HB3 ASN 33 -3.909 -3.088 4.956 250 HD21 ASN 33 HD21 ASN 33 -4.542 -0.326 5.696 251 HD22 ASN 33 HD22 ASN 33 -3.383 0.125 6.895 252 H ILE 34 H ILE 34 -3.421 -2.336 1.441 253 HA ILE 34 HA ILE 34 -4.477 -4.843 0.740 254 HB ILE 34 HB ILE 34 -3.657 -2.517 -1.065 255 HG12 ILE 34 HG12 ILE 34 -6.445 -3.307 -0.094 256 HG13 ILE 34 HG13 ILE 34 -5.468 -2.033 0.624 257 HG21 ILE 34 HG21 ILE 34 -3.736 -4.555 -2.425 258 HG22 ILE 34 HG22 ILE 34 -5.104 -3.517 -2.822 259 HG23 ILE 34 HG23 ILE 34 -5.343 -4.937 -1.803 260 HD11 ILE 34 HD11 ILE 34 -6.536 -2.063 -2.200 261 HD12 ILE 34 HD12 ILE 34 -5.528 -0.796 -1.493 262 HD13 ILE 34 HD13 ILE 34 -7.140 -1.103 -0.847 263 H GLY 35 H GLY 35 -1.363 -3.319 -0.000 264 HA2 GLY 35 HA2 GLY 35 -0.229 -5.231 -1.712 265 HA3 GLY 35 HA3 GLY 35 0.656 -4.107 -0.692 266 H LEU 36 H LEU 36 -0.231 -4.963 1.840 267 HA LEU 36 HA LEU 36 1.453 -7.170 2.413 268 HB2 LEU 36 HB2 LEU 36 -0.750 -5.925 4.113 269 HB3 LEU 36 HB3 LEU 36 0.431 -7.086 4.710 270 HG LEU 36 HG LEU 36 1.076 -4.301 3.669 271 HD11 LEU 36 HD11 LEU 36 1.602 -3.746 5.991 272 HD12 LEU 36 HD12 LEU 36 1.050 -5.341 6.511 273 HD13 LEU 36 HD13 LEU 36 -0.090 -4.197 5.793 274 HD21 LEU 36 HD21 LEU 36 2.928 -6.374 4.894 275 HD22 LEU 36 HD22 LEU 36 3.362 -4.708 4.502 276 HD23 LEU 36 HD23 LEU 36 2.927 -5.829 3.214 277 H GLU 37 H GLU 37 -2.040 -6.921 1.846 278 HA GLU 37 HA GLU 37 -2.768 -9.544 2.665 279 HB2 GLU 37 HB2 GLU 37 -4.176 -7.885 0.524 280 HB3 GLU 37 HB3 GLU 37 -4.875 -9.179 1.485 281 HG2 GLU 37 HG2 GLU 37 -4.111 -6.400 2.390 282 HG3 GLU 37 HG3 GLU 37 -5.722 -7.098 2.304 283 H LYS 38 H LYS 38 -1.882 -8.178 -0.505 284 HA LYS 38 HA LYS 38 -2.039 -10.499 -2.095 285 HB2 LYS 38 HB2 LYS 38 -0.571 -7.873 -2.323 286 HB3 LYS 38 HB3 LYS 38 -0.068 -9.173 -3.391 287 HG2 LYS 38 HG2 LYS 38 -1.641 -7.666 -4.483 288 HG3 LYS 38 HG3 LYS 38 -2.292 -9.301 -4.362 289 HD2 LYS 38 HD2 LYS 38 -3.782 -8.651 -2.582 290 HD3 LYS 38 HD3 LYS 38 -3.006 -7.069 -2.433 291 HE2 LYS 38 HE2 LYS 38 -5.179 -6.965 -3.630 292 HE3 LYS 38 HE3 LYS 38 -3.836 -6.408 -4.621 293 HZ1 LYS 38 HZ1 LYS 38 -5.074 -9.102 -4.771 294 HZ2 LYS 38 HZ2 LYS 38 -3.827 -8.528 -5.757 295 HZ3 LYS 38 HZ3 LYS 38 -5.362 -7.829 -5.843 296 H ASN 39 H ASN 39 0.561 -9.137 -0.151 297 HA ASN 39 HA ASN 39 2.667 -10.848 -0.919 298 HB2 ASN 39 HB2 ASN 39 2.768 -8.568 0.294 299 HB3 ASN 39 HB3 ASN 39 2.415 -9.439 1.776 300 HD21 ASN 39 HD21 ASN 39 4.741 -7.858 1.054 301 HD22 ASN 39 HD22 ASN 39 6.114 -8.888 1.227 302 H LYS 40 H LYS 40 0.193 -11.098 1.621 303 HA LYS 40 HA LYS 40 1.225 -13.442 2.916 304 HB2 LYS 40 HB2 LYS 40 -1.586 -12.254 2.970 305 HB3 LYS 40 HB3 LYS 40 -1.058 -13.606 3.970 306 HG2 LYS 40 HG2 LYS 40 0.773 -11.964 4.834 307 HG3 LYS 40 HG3 LYS 40 -0.233 -10.701 4.141 308 HD2 LYS 40 HD2 LYS 40 -1.055 -12.690 6.293 309 HD3 LYS 40 HD3 LYS 40 -0.723 -10.975 6.528 310 HE2 LYS 40 HE2 LYS 40 -2.999 -12.090 4.843 311 HE3 LYS 40 HE3 LYS 40 -3.148 -11.459 6.481 312 HZ1 LYS 40 HZ1 LYS 40 -2.216 -9.896 4.147 313 HZ2 LYS 40 HZ2 LYS 40 -2.424 -9.316 5.719 314 HZ3 LYS 40 HZ3 LYS 40 -3.763 -9.828 4.828 315 H MET 41 H MET 41 -0.920 -12.878 0.194 316 HA MET 41 HA MET 41 -1.713 -15.661 -0.092 317 HB2 MET 41 HB2 MET 41 -2.136 -13.218 -1.864 318 HB3 MET 41 HB3 MET 41 -2.711 -14.824 -2.293 319 HG2 MET 41 HG2 MET 41 -4.089 -14.853 -0.234 320 HG3 MET 41 HG3 MET 41 -3.561 -13.212 0.124 321 HE1 MET 41 HE1 MET 41 -5.292 -11.110 -2.655 322 HE2 MET 41 HE2 MET 41 -3.655 -11.752 -2.786 323 HE3 MET 41 HE3 MET 41 -4.232 -11.102 -1.244 324 H GLY 42 H GLY 42 1.151 -14.078 -0.656 325 HA2 GLY 42 HA2 GLY 42 3.091 -14.800 -1.658 326 HA3 GLY 42 HA3 GLY 42 2.221 -16.151 -2.368 327 H LYS 43 H LYS 43 0.628 -13.267 -2.978 328 HA LYS 43 HA LYS 43 1.429 -13.171 -5.797 329 HB2 LYS 43 HB2 LYS 43 -0.734 -11.617 -4.295 330 HB3 LYS 43 HB3 LYS 43 -0.553 -11.728 -6.047 331 HG2 LYS 43 HG2 LYS 43 -1.057 -14.128 -5.972 332 HG3 LYS 43 HG3 LYS 43 -1.183 -14.063 -4.210 333 HD2 LYS 43 HD2 LYS 43 -3.109 -12.497 -4.420 334 HD3 LYS 43 HD3 LYS 43 -2.990 -12.599 -6.181 335 HE2 LYS 43 HE2 LYS 43 -3.431 -15.058 -6.006 336 HE3 LYS 43 HE3 LYS 43 -3.675 -14.862 -4.272 337 HZ1 LYS 43 HZ1 LYS 43 -5.536 -13.476 -4.667 338 HZ2 LYS 43 HZ2 LYS 43 -5.742 -14.865 -5.611 339 HZ3 LYS 43 HZ3 LYS 43 -5.243 -13.417 -6.331 340 H VAL 44 H VAL 44 3.573 -12.453 -4.922 341 HA VAL 44 HA VAL 44 3.803 -10.064 -3.387 342 HB VAL 44 HB VAL 44 6.026 -11.640 -4.759 343 HG11 VAL 44 HG11 VAL 44 6.138 -9.739 -2.387 344 HG12 VAL 44 HG12 VAL 44 6.776 -9.425 -4.002 345 HG13 VAL 44 HG13 VAL 44 7.494 -10.689 -3.004 346 HG21 VAL 44 HG21 VAL 44 4.685 -13.125 -3.321 347 HG22 VAL 44 HG22 VAL 44 4.885 -12.014 -1.964 348 HG23 VAL 44 HG23 VAL 44 6.288 -12.860 -2.623 349 H LYS 45 H LYS 45 3.959 -10.746 -6.851 350 HA LYS 45 HA LYS 45 5.372 -8.419 -7.680 351 HB2 LYS 45 HB2 LYS 45 3.342 -10.094 -9.222 352 HB3 LYS 45 HB3 LYS 45 4.213 -8.739 -9.927 353 HG2 LYS 45 HG2 LYS 45 5.404 -10.626 -10.638 354 HG3 LYS 45 HG3 LYS 45 6.365 -9.969 -9.314 355 HD2 LYS 45 HD2 LYS 45 5.426 -11.695 -7.792 356 HD3 LYS 45 HD3 LYS 45 4.476 -12.352 -9.130 357 HE2 LYS 45 HE2 LYS 45 6.678 -12.745 -10.346 358 HE3 LYS 45 HE3 LYS 45 7.497 -12.321 -8.842 359 HZ1 LYS 45 HZ1 LYS 45 5.542 -14.529 -9.146 360 HZ2 LYS 45 HZ2 LYS 45 6.427 -14.159 -7.754 361 HZ3 LYS 45 HZ3 LYS 45 7.219 -14.716 -9.138 362 H GLU 46 H GLU 46 1.912 -9.074 -7.193 363 HA GLU 46 HA GLU 46 0.898 -6.542 -7.948 364 HB2 GLU 46 HB2 GLU 46 -0.228 -8.565 -5.981 365 HB3 GLU 46 HB3 GLU 46 -1.112 -7.168 -6.594 366 HG2 GLU 46 HG2 GLU 46 -0.924 -8.089 -8.890 367 HG3 GLU 46 HG3 GLU 46 -0.104 -9.510 -8.235 368 H ALA 47 H ALA 47 1.958 -7.886 -4.842 369 HA ALA 47 HA ALA 47 1.308 -5.855 -3.063 370 HB1 ALA 47 HB1 ALA 47 3.085 -6.781 -1.621 371 HB2 ALA 47 HB2 ALA 47 3.746 -7.673 -2.994 372 HB3 ALA 47 HB3 ALA 47 2.143 -8.072 -2.370 373 H ILE 48 H ILE 48 4.213 -6.285 -5.040 374 HA ILE 48 HA ILE 48 5.774 -4.102 -4.291 375 HB ILE 48 HB ILE 48 5.528 -5.593 -6.939 376 HG12 ILE 48 HG12 ILE 48 7.724 -5.705 -4.832 377 HG13 ILE 48 HG13 ILE 48 6.369 -6.827 -4.895 378 HG21 ILE 48 HG21 ILE 48 7.675 -4.607 -7.669 379 HG22 ILE 48 HG22 ILE 48 7.683 -3.566 -6.247 380 HG23 ILE 48 HG23 ILE 48 6.435 -3.363 -7.477 381 HD11 ILE 48 HD11 ILE 48 8.453 -6.472 -7.040 382 HD12 ILE 48 HD12 ILE 48 7.105 -7.616 -7.069 383 HD13 ILE 48 HD13 ILE 48 8.371 -7.772 -5.854 384 H GLU 49 H GLU 49 3.335 -4.357 -6.882 385 HA GLU 49 HA GLU 49 3.528 -1.820 -8.022 386 HB2 GLU 49 HB2 GLU 49 0.991 -3.486 -7.721 387 HB3 GLU 49 HB3 GLU 49 1.230 -2.169 -8.867 388 HG2 GLU 49 HG2 GLU 49 3.042 -3.497 -9.957 389 HG3 GLU 49 HG3 GLU 49 2.682 -4.829 -8.857 390 H TYR 50 H TYR 50 1.508 -2.966 -5.347 391 HA TYR 50 HA TYR 50 0.106 -0.549 -4.876 392 HB2 TYR 50 HB2 TYR 50 0.538 -3.049 -3.212 393 HB3 TYR 50 HB3 TYR 50 -0.375 -1.676 -2.599 394 HD1 TYR 50 HD2 TYR 50 -2.398 -0.864 -3.986 395 HD2 TYR 50 HD1 TYR 50 -0.560 -4.666 -4.589 396 HE1 TYR 50 HE2 TYR 50 -4.408 -1.651 -5.155 397 HE2 TYR 50 HE1 TYR 50 -2.555 -5.451 -5.762 398 HH TYR 50 HH TYR 50 -5.048 -3.346 -6.770 399 H PHE 51 H PHE 51 3.102 -1.880 -3.455 400 HA PHE 51 HA PHE 51 3.375 0.130 -1.422 401 HB2 PHE 51 HB2 PHE 51 5.486 -1.687 -2.658 402 HB3 PHE 51 HB3 PHE 51 5.740 -0.702 -1.223 403 HD1 PHE 51 HD1 PHE 51 3.037 -1.278 0.153 404 HD2 PHE 51 HD2 PHE 51 5.910 -3.846 -1.732 405 HE1 PHE 51 HE1 PHE 51 2.318 -3.154 1.579 406 HE2 PHE 51 HE2 PHE 51 5.164 -5.710 -0.314 407 HZ PHE 51 HZ PHE 51 3.369 -5.364 1.338 408 H LEU 52 H LEU 52 4.282 -0.074 -4.794 409 HA LEU 52 HA LEU 52 6.169 2.117 -4.830 410 HB2 LEU 52 HB2 LEU 52 4.697 0.616 -7.020 411 HB3 LEU 52 HB3 LEU 52 5.748 1.972 -7.387 412 HG LEU 52 HG LEU 52 6.687 -0.571 -5.994 413 HD11 LEU 52 HD11 LEU 52 6.986 0.198 -8.916 414 HD12 LEU 52 HD12 LEU 52 5.955 -1.084 -8.276 415 HD13 LEU 52 HD13 LEU 52 7.705 -1.210 -8.126 416 HD21 LEU 52 HD21 LEU 52 8.062 1.402 -5.473 417 HD22 LEU 52 HD22 LEU 52 8.280 1.723 -7.195 418 HD23 LEU 52 HD23 LEU 52 8.947 0.255 -6.476 419 H ARG 53 H ARG 53 2.745 1.695 -5.674 420 HA ARG 53 HA ARG 53 2.212 4.358 -6.515 421 HB2 ARG 53 HB2 ARG 53 0.295 2.250 -5.419 422 HB3 ARG 53 HB3 ARG 53 -0.199 3.747 -6.215 423 HG2 ARG 53 HG2 ARG 53 0.812 3.041 -8.297 424 HG3 ARG 53 HG3 ARG 53 1.499 1.613 -7.527 425 HD2 ARG 53 HD2 ARG 53 -0.893 0.879 -7.044 426 HD3 ARG 53 HD3 ARG 53 -1.412 2.182 -8.124 427 HE ARG 53 HE ARG 53 0.246 0.986 -9.756 428 HH11 ARG 53 HH11 ARG 53 -2.003 -0.583 -7.549 429 HH12 ARG 53 HH12 ARG 53 -2.162 -1.996 -8.535 430 HH21 ARG 53 HH21 ARG 53 0.084 -0.901 -10.995 431 HH22 ARG 53 HH22 ARG 53 -0.975 -2.179 -10.495 432 H ALA 54 H ALA 54 1.765 2.624 -3.452 433 HA ALA 54 HA ALA 54 0.647 4.609 -1.855 434 HB1 ALA 54 HB1 ALA 54 2.573 2.411 -0.999 435 HB2 ALA 54 HB2 ALA 54 0.822 2.252 -1.146 436 HB3 ALA 54 HB3 ALA 54 1.504 3.329 0.072 437 H LYS 55 H LYS 55 4.047 3.875 -2.560 438 HA LYS 55 HA LYS 55 5.284 5.655 -0.777 439 HB2 LYS 55 HB2 LYS 55 6.412 3.747 -1.950 440 HB3 LYS 55 HB3 LYS 55 6.331 4.648 -3.461 441 HG2 LYS 55 HG2 LYS 55 7.785 6.401 -2.494 442 HG3 LYS 55 HG3 LYS 55 7.857 5.499 -0.978 443 HD2 LYS 55 HD2 LYS 55 8.963 3.606 -2.179 444 HD3 LYS 55 HD3 LYS 55 8.930 4.556 -3.670 445 HE2 LYS 55 HE2 LYS 55 10.297 6.315 -2.484 446 HE3 LYS 55 HE3 LYS 55 10.444 5.209 -1.118 447 HZ1 LYS 55 HZ1 LYS 55 12.364 5.165 -2.625 448 HZ2 LYS 55 HZ2 LYS 55 11.365 4.613 -3.875 449 HZ3 LYS 55 HZ3 LYS 55 11.603 3.663 -2.502 450 H LYS 56 H LYS 56 4.209 6.111 -4.145 451 HA LYS 56 HA LYS 56 5.216 8.755 -4.504 452 HB2 LYS 56 HB2 LYS 56 4.683 7.423 -6.459 453 HB3 LYS 56 HB3 LYS 56 3.013 7.222 -5.939 454 HG2 LYS 56 HG2 LYS 56 2.619 9.649 -6.276 455 HG3 LYS 56 HG3 LYS 56 4.287 9.854 -6.798 456 HD2 LYS 56 HD2 LYS 56 2.384 7.984 -8.247 457 HD3 LYS 56 HD3 LYS 56 2.439 9.707 -8.613 458 HE2 LYS 56 HE2 LYS 56 3.823 8.553 -10.215 459 HE3 LYS 56 HE3 LYS 56 4.881 9.462 -9.137 460 HZ1 LYS 56 HZ1 LYS 56 4.308 6.559 -8.941 461 HZ2 LYS 56 HZ2 LYS 56 5.367 7.427 -7.951 462 HZ3 LYS 56 HZ3 LYS 56 5.711 7.241 -9.594 463 H VAL 57 H VAL 57 2.047 7.469 -3.553 464 HA VAL 57 HA VAL 57 0.666 9.945 -3.421 465 HB VAL 57 HB VAL 57 -0.045 7.295 -2.067 466 HG11 VAL 57 HG11 VAL 57 -1.831 9.644 -2.790 467 HG12 VAL 57 HG12 VAL 57 -1.309 9.222 -1.159 468 HG13 VAL 57 HG13 VAL 57 -2.359 8.126 -2.059 469 HG21 VAL 57 HG21 VAL 57 0.232 7.062 -4.537 470 HG22 VAL 57 HG22 VAL 57 -0.952 8.340 -4.784 471 HG23 VAL 57 HG23 VAL 57 -1.443 6.816 -4.040 472 H PHE 58 H PHE 58 2.541 8.075 -1.107 473 HA PHE 58 HA PHE 58 2.088 9.602 1.247 474 HB2 PHE 58 HB2 PHE 58 4.269 7.679 0.378 475 HB3 PHE 58 HB3 PHE 58 4.455 8.597 1.864 476 HD1 PHE 58 HD2 PHE 58 1.726 8.506 3.023 477 HD2 PHE 58 HD1 PHE 58 3.985 5.439 1.069 478 HE1 PHE 58 HE2 PHE 58 0.560 6.792 4.340 479 HE2 PHE 58 HE1 PHE 58 2.813 3.738 2.391 480 HZ PHE 58 HZ PHE 58 1.108 4.411 4.029 481 H ASP 59 H ASP 59 4.561 9.728 -1.321 482 HA ASP 59 HA ASP 59 6.243 11.728 -0.275 483 HB2 ASP 59 HB2 ASP 59 6.939 10.307 -2.128 484 HB3 ASP 59 HB3 ASP 59 5.664 10.930 -3.158 485 H ALA 60 H ALA 60 3.396 11.952 -2.346 486 HA ALA 60 HA ALA 60 3.317 14.706 -2.856 487 HB1 ALA 60 HB1 ALA 60 0.909 14.346 -3.302 488 HB2 ALA 60 HB2 ALA 60 1.003 12.764 -2.518 489 HB3 ALA 60 HB3 ALA 60 1.896 13.067 -4.011 490 H GLU 61 H GLU 61 2.172 12.822 -0.119 491 HA GLU 61 HA GLU 61 0.985 15.062 1.320 492 HB2 GLU 61 HB2 GLU 61 1.433 12.141 2.050 493 HB3 GLU 61 HB3 GLU 61 0.533 13.290 3.040 494 HG2 GLU 61 HG2 GLU 61 -0.210 12.613 0.192 495 HG3 GLU 61 HG3 GLU 61 -0.839 11.754 1.590 496 H HIS 62 H HIS 62 4.095 13.917 0.906 497 HA HIS 62 HA HIS 62 6.080 14.116 1.887 498 HB2 HIS 62 HB2 HIS 62 4.744 16.215 3.648 499 HB3 HIS 62 HB3 HIS 62 6.486 16.029 3.416 500 HD1 HIS 62 HD1 HIS 62 3.758 17.990 2.205 501 HD2 HIS 62 HD2 HIS 62 7.075 16.247 0.426 502 HE1 HIS 62 HE1 HIS 62 4.040 19.164 0.009 503 HE2 HIS 62 HE2 HIS 62 6.175 18.233 -0.947 504 H ASP 63 H ASP 63 4.000 12.280 2.894 505 HA ASP 63 HA ASP 63 4.746 11.623 5.620 506 HB2 ASP 63 HB2 ASP 63 2.420 11.211 4.518 507 HB3 ASP 63 HB3 ASP 63 3.176 9.893 3.641 508 H THR 64 H THR 64 7.059 11.582 5.061 509 HA THR 64 HA THR 64 8.032 9.980 2.913 510 HB THR 64 HB THR 64 9.107 12.118 3.517 511 HG1 THR 64 HG1 THR 64 10.259 10.338 2.457 512 HG21 THR 64 HG21 THR 64 8.971 11.972 5.994 513 HG22 THR 64 HG22 THR 64 10.618 12.295 5.451 514 HG23 THR 64 HG23 THR 64 10.166 10.669 5.978 515 H ASP 65 H ASP 65 7.830 9.491 6.414 516 HA ASP 65 HA ASP 65 9.541 7.184 6.506 517 HB2 ASP 65 HB2 ASP 65 7.409 8.053 8.503 518 HB3 ASP 65 HB3 ASP 65 8.629 6.820 8.787 519 H GLY 66 H GLY 66 6.064 7.685 5.991 520 HA2 GLY 66 HA2 GLY 66 5.279 4.947 6.000 521 HA3 GLY 66 HA3 GLY 66 4.429 6.270 5.217 522 H ALA 67 H ALA 67 6.290 7.180 3.430 523 HA ALA 67 HA ALA 67 6.261 5.449 1.216 524 HB1 ALA 67 HB1 ALA 67 8.117 7.800 1.753 525 HB2 ALA 67 HB2 ALA 67 6.511 7.896 1.021 526 HB3 ALA 67 HB3 ALA 67 7.821 7.063 0.180 527 H ARG 68 H ARG 68 8.690 6.040 3.666 528 HA ARG 68 HA ARG 68 10.842 4.504 2.646 529 HB2 ARG 68 HB2 ARG 68 11.128 6.374 4.185 530 HB3 ARG 68 HB3 ARG 68 10.106 5.601 5.388 531 HG2 ARG 68 HG2 ARG 68 11.820 3.845 5.693 532 HG3 ARG 68 HG3 ARG 68 12.835 4.661 4.506 533 HD2 ARG 68 HD2 ARG 68 11.879 5.893 7.111 534 HD3 ARG 68 HD3 ARG 68 13.485 5.195 6.856 535 HE ARG 68 HE ARG 68 13.355 7.026 4.895 536 HH11 ARG 68 HH11 ARG 68 12.696 7.319 8.330 537 HH12 ARG 68 HH12 ARG 68 13.165 8.987 8.398 538 HH21 ARG 68 HH21 ARG 68 13.975 9.199 4.999 539 HH22 ARG 68 HH22 ARG 68 13.889 10.049 6.515 540 H ARG 69 H ARG 69 8.083 3.829 4.766 541 HA ARG 69 HA ARG 69 8.978 1.230 5.639 542 HB2 ARG 69 HB2 ARG 69 7.407 2.597 7.004 543 HB3 ARG 69 HB3 ARG 69 6.189 2.466 5.737 544 HG2 ARG 69 HG2 ARG 69 6.132 -0.004 6.067 545 HG3 ARG 69 HG3 ARG 69 7.320 0.156 7.361 546 HD2 ARG 69 HD2 ARG 69 5.743 1.465 8.693 547 HD3 ARG 69 HD3 ARG 69 4.562 1.424 7.374 548 HE ARG 69 HE ARG 69 4.898 -1.171 7.752 549 HH11 ARG 69 HH11 ARG 69 4.492 1.325 10.179 550 HH12 ARG 69 HH12 ARG 69 3.729 0.264 11.322 551 HH21 ARG 69 HH21 ARG 69 3.859 -2.553 9.236 552 HH22 ARG 69 HH22 ARG 69 3.368 -1.936 10.782 553 H ALA 70 H ALA 70 6.871 2.506 3.105 554 HA ALA 70 HA ALA 70 5.931 0.066 2.026 555 HB1 ALA 70 HB1 ALA 70 4.903 2.230 1.452 556 HB2 ALA 70 HB2 ALA 70 5.432 1.388 -0.007 557 HB3 ALA 70 HB3 ALA 70 6.382 2.734 0.630 558 H ALA 71 H ALA 71 8.810 2.039 1.477 559 HA ALA 71 HA ALA 71 9.971 0.473 -0.618 560 HB1 ALA 71 HB1 ALA 71 10.494 2.860 -0.301 561 HB2 ALA 71 HB2 ALA 71 11.959 1.878 -0.250 562 HB3 ALA 71 HB3 ALA 71 11.260 2.497 1.249 563 H LYS 72 H LYS 72 10.141 0.388 2.893 564 HA LYS 72 HA LYS 72 12.348 -1.439 3.120 565 HB2 LYS 72 HB2 LYS 72 11.758 0.097 4.961 566 HB3 LYS 72 HB3 LYS 72 10.179 -0.664 5.119 567 HG2 LYS 72 HG2 LYS 72 11.199 -2.740 5.898 568 HG3 LYS 72 HG3 LYS 72 12.817 -2.089 5.617 569 HD2 LYS 72 HD2 LYS 72 12.431 -0.366 7.361 570 HD3 LYS 72 HD3 LYS 72 10.805 -1.000 7.631 571 HE2 LYS 72 HE2 LYS 72 11.739 -3.127 8.411 572 HE3 LYS 72 HE3 LYS 72 13.374 -2.564 8.063 573 HZ1 LYS 72 HZ1 LYS 72 11.528 -1.342 10.041 574 HZ2 LYS 72 HZ2 LYS 72 13.112 -0.853 9.725 575 HZ3 LYS 72 HZ3 LYS 72 12.822 -2.368 10.411 576 H SER 73 H SER 73 8.830 -1.713 3.036 577 HA SER 73 HA SER 73 8.662 -4.538 3.437 578 HB2 SER 73 HB2 SER 73 6.757 -2.903 3.835 579 HB3 SER 73 HB3 SER 73 6.607 -2.725 2.086 580 HG SER 73 HG SER 73 6.538 -5.255 2.358 581 H LEU 74 H LEU 74 9.062 -2.394 0.677 582 HA LEU 74 HA LEU 74 8.702 -4.200 -1.447 583 HB2 LEU 74 HB2 LEU 74 10.106 -1.557 -1.134 584 HB3 LEU 74 HB3 LEU 74 10.456 -2.484 -2.577 585 HG LEU 74 HG LEU 74 7.638 -1.718 -1.763 586 HD11 LEU 74 HD11 LEU 74 8.908 0.337 -2.166 587 HD12 LEU 74 HD12 LEU 74 7.705 0.057 -3.424 588 HD13 LEU 74 HD13 LEU 74 9.409 -0.274 -3.746 589 HD21 LEU 74 HD21 LEU 74 7.106 -2.288 -4.095 590 HD22 LEU 74 HD22 LEU 74 7.774 -3.664 -3.223 591 HD23 LEU 74 HD23 LEU 74 8.784 -2.772 -4.366 592 H SER 75 H SER 75 11.713 -3.208 0.245 593 HA SER 75 HA SER 75 13.487 -4.765 -1.287 594 HB2 SER 75 HB2 SER 75 15.044 -4.469 0.729 595 HB3 SER 75 HB3 SER 75 14.396 -2.984 0.034 596 HG SER 75 HG SER 75 13.427 -2.587 1.846 597 H GLU 76 H GLU 76 11.743 -5.546 1.714 598 HA GLU 76 HA GLU 76 12.685 -8.155 2.094 599 HB2 GLU 76 HB2 GLU 76 11.199 -6.367 3.526 600 HB3 GLU 76 HB3 GLU 76 9.906 -7.409 2.969 601 HG2 GLU 76 HG2 GLU 76 12.346 -8.406 4.428 602 HG3 GLU 76 HG3 GLU 76 10.882 -7.891 5.242 603 H ALA 77 H ALA 77 10.100 -6.831 0.095 604 HA ALA 77 HA ALA 77 8.729 -9.292 -0.453 605 HB1 ALA 77 HB1 ALA 77 8.562 -6.605 -1.866 606 HB2 ALA 77 HB2 ALA 77 7.554 -7.132 -0.516 607 HB3 ALA 77 HB3 ALA 77 7.434 -7.952 -2.072 608 H TYR 78 H TYR 78 11.197 -7.368 -2.144 609 HA TYR 78 HA TYR 78 11.127 -8.634 -4.653 610 HB2 TYR 78 HB2 TYR 78 13.304 -7.062 -3.235 611 HB3 TYR 78 HB3 TYR 78 13.557 -7.722 -4.847 612 HD1 TYR 78 HD2 TYR 78 11.277 -7.195 -6.397 613 HD2 TYR 78 HD1 TYR 78 12.869 -4.736 -3.291 614 HE1 TYR 78 HE2 TYR 78 10.204 -5.233 -7.397 615 HE2 TYR 78 HE1 TYR 78 11.800 -2.771 -4.295 616 HH TYR 78 HH TYR 78 9.434 -3.025 -6.748 617 H GLN 79 H GLN 79 12.741 -9.541 -1.672 618 HA GLN 79 HA GLN 79 14.552 -11.485 -2.603 619 HB2 GLN 79 HB2 GLN 79 13.034 -11.610 0.031 620 HB3 GLN 79 HB3 GLN 79 14.597 -12.336 -0.326 621 HG2 GLN 79 HG2 GLN 79 15.568 -10.065 -0.548 622 HG3 GLN 79 HG3 GLN 79 14.001 -9.373 -0.116 623 HE21 GLN 79 HE21 GLN 79 13.176 -9.838 2.041 624 HE22 GLN 79 HE22 GLN 79 14.278 -10.151 3.329 625 H LYS 80 H LYS 80 11.119 -11.604 -1.926 626 HA LYS 80 HA LYS 80 10.771 -14.449 -2.031 627 HB2 LYS 80 HB2 LYS 80 8.572 -12.374 -2.395 628 HB3 LYS 80 HB3 LYS 80 8.422 -14.007 -1.747 629 HG2 LYS 80 HG2 LYS 80 9.759 -13.297 0.245 630 HG3 LYS 80 HG3 LYS 80 9.807 -11.657 -0.407 631 HD2 LYS 80 HD2 LYS 80 7.256 -11.677 -0.342 632 HD3 LYS 80 HD3 LYS 80 7.364 -13.204 0.537 633 HE2 LYS 80 HE2 LYS 80 8.441 -10.511 1.446 634 HE3 LYS 80 HE3 LYS 80 7.056 -11.374 2.114 635 HZ1 LYS 80 HZ1 LYS 80 9.867 -12.324 2.204 636 HZ2 LYS 80 HZ2 LYS 80 8.530 -13.098 2.891 637 HZ3 LYS 80 HZ3 LYS 80 9.035 -11.599 3.484 638 H VAL 81 H VAL 81 10.541 -11.780 -4.295 639 HA VAL 81 HA VAL 81 9.229 -13.099 -6.471 640 HB VAL 81 HB VAL 81 11.023 -10.623 -6.521 641 HG11 VAL 81 HG11 VAL 81 8.915 -11.490 -8.540 642 HG12 VAL 81 HG12 VAL 81 10.658 -11.533 -8.798 643 HG13 VAL 81 HG13 VAL 81 9.837 -9.983 -8.594 644 HG21 VAL 81 HG21 VAL 81 9.171 -10.373 -4.927 645 HG22 VAL 81 HG22 VAL 81 8.012 -10.801 -6.187 646 HG23 VAL 81 HG23 VAL 81 8.952 -9.316 -6.322 647 H GLU 82 H GLU 82 12.570 -12.646 -5.508 648 HA GLU 82 HA GLU 82 13.730 -13.856 -7.894 649 HB2 GLU 82 HB2 GLU 82 14.941 -12.881 -5.269 650 HB3 GLU 82 HB3 GLU 82 15.884 -13.483 -6.632 651 HG2 GLU 82 HG2 GLU 82 15.201 -11.655 -8.036 652 HG3 GLU 82 HG3 GLU 82 13.989 -11.129 -6.871 653 H GLY 83 H GLY 83 12.102 -15.160 -5.370 654 HA2 GLY 83 HA2 GLY 83 11.702 -17.402 -5.006 655 HA3 GLY 83 HA3 GLY 83 13.164 -17.822 -5.886 656 H SER 84 H SER 84 15.213 -17.570 -4.801 657 HA SER 84 HA SER 84 15.147 -18.347 -2.024 658 HB2 SER 84 HB2 SER 84 17.672 -18.378 -2.280 659 HB3 SER 84 HB3 SER 84 16.811 -19.396 -3.433 660 HG SER 84 HG SER 84 17.744 -16.762 -3.968 661 H GLY 85 H GLY 85 14.750 -16.838 -0.536 662 HA2 GLY 85 HA2 GLY 85 16.463 -14.471 -0.299 663 HA3 GLY 85 HA3 GLY 85 14.726 -14.196 -0.426 664 H ASP 86 H ASP 86 14.799 -13.267 1.721 665 HA ASP 86 HA ASP 86 15.546 -14.804 4.030 666 HB2 ASP 86 HB2 ASP 86 15.485 -12.286 3.972 667 HB3 ASP 86 HB3 ASP 86 13.728 -12.352 3.852 668 H LYS 87 H LYS 87 14.123 -15.846 5.564 669 HA LYS 87 HA LYS 87 11.821 -17.105 4.354 670 HB2 LYS 87 HB2 LYS 87 11.633 -18.376 6.498 671 HB3 LYS 87 HB3 LYS 87 13.221 -18.461 5.765 672 HG2 LYS 87 HG2 LYS 87 13.746 -18.238 8.013 673 HG3 LYS 87 HG3 LYS 87 13.876 -16.577 7.442 674 HD2 LYS 87 HD2 LYS 87 12.744 -16.719 9.629 675 HD3 LYS 87 HD3 LYS 87 11.681 -16.048 8.392 676 HE2 LYS 87 HE2 LYS 87 10.482 -17.633 9.851 677 HE3 LYS 87 HE3 LYS 87 10.537 -18.230 8.193 678 HZ1 LYS 87 HZ1 LYS 87 12.362 -19.093 10.369 679 HZ2 LYS 87 HZ2 LYS 87 12.307 -19.723 8.802 680 HZ3 LYS 87 HZ3 LYS 87 11.002 -19.955 9.852 681 H GLY 88 H GLY 88 12.269 -14.308 6.317 682 HA2 GLY 88 HA2 GLY 88 10.741 -12.587 6.597 683 HA3 GLY 88 HA3 GLY 88 9.425 -13.657 6.137 684 H LYS 89 H LYS 89 11.921 -13.655 8.727 685 HA LYS 89 HA LYS 89 9.950 -14.361 10.764 686 HB2 LYS 89 HB2 LYS 89 12.402 -15.163 10.778 687 HB3 LYS 89 HB3 LYS 89 12.851 -13.531 11.232 688 HG2 LYS 89 HG2 LYS 89 12.788 -14.483 13.326 689 HG3 LYS 89 HG3 LYS 89 11.106 -13.975 13.222 690 HD2 LYS 89 HD2 LYS 89 12.078 -16.766 12.505 691 HD3 LYS 89 HD3 LYS 89 11.503 -16.320 14.107 692 HE2 LYS 89 HE2 LYS 89 9.848 -16.198 11.560 693 HE3 LYS 89 HE3 LYS 89 9.777 -17.483 12.766 694 HZ1 LYS 89 HZ1 LYS 89 9.007 -15.901 14.391 695 HZ2 LYS 89 HZ2 LYS 89 8.000 -15.862 13.034 696 HZ3 LYS 89 HZ3 LYS 89 9.128 -14.631 13.281 697 H ILE 90 H ILE 90 8.581 -12.577 10.421 698 HA ILE 90 HA ILE 90 9.513 -9.940 11.418 699 HB ILE 90 HB ILE 90 7.207 -10.433 9.462 700 HG12 ILE 90 HG12 ILE 90 9.345 -11.023 8.329 701 HG13 ILE 90 HG13 ILE 90 8.640 -9.577 7.627 702 HG21 ILE 90 HG21 ILE 90 8.558 -7.836 10.303 703 HG22 ILE 90 HG22 ILE 90 6.943 -8.373 10.769 704 HG23 ILE 90 HG23 ILE 90 7.286 -7.979 9.085 705 HD11 ILE 90 HD11 ILE 90 10.972 -9.694 9.532 706 HD12 ILE 90 HD12 ILE 90 10.261 -8.212 8.886 707 HD13 ILE 90 HD13 ILE 90 11.026 -9.371 7.801 708 H PHE 91 H PHE 91 8.714 -9.665 13.442 709 HA PHE 91 HA PHE 91 6.338 -10.826 14.507 710 HB2 PHE 91 HB2 PHE 91 8.244 -9.986 15.909 711 HB3 PHE 91 HB3 PHE 91 7.854 -8.337 15.434 712 HD1 PHE 91 HD1 PHE 91 6.530 -11.315 17.259 713 HD2 PHE 91 HD2 PHE 91 6.166 -7.093 16.639 714 HE1 PHE 91 HE1 PHE 91 4.944 -11.168 19.124 715 HE2 PHE 91 HE2 PHE 91 4.581 -6.962 18.510 716 HZ PHE 91 HZ PHE 91 3.966 -8.995 19.759 717 H GLN 92 H GLN 92 4.290 -9.811 14.852 718 HA GLN 92 HA GLN 92 3.503 -7.898 12.777 719 HB2 GLN 92 HB2 GLN 92 1.755 -9.490 14.723 720 HB3 GLN 92 HB3 GLN 92 1.172 -8.489 13.400 721 HG2 GLN 92 HG2 GLN 92 1.016 -10.572 12.430 722 HG3 GLN 92 HG3 GLN 92 2.627 -10.111 11.899 723 HE21 GLN 92 HE21 GLN 92 1.428 -12.766 12.200 724 HE22 GLN 92 HE22 GLN 92 2.444 -13.644 13.288 725 H LYS 93 H LYS 93 4.018 -5.853 13.434 726 HA LYS 93 HA LYS 93 3.515 -4.904 16.151 727 HB2 LYS 93 HB2 LYS 93 4.572 -3.379 13.717 728 HB3 LYS 93 HB3 LYS 93 4.442 -2.728 15.346 729 HG2 LYS 93 HG2 LYS 93 6.704 -3.280 15.220 730 HG3 LYS 93 HG3 LYS 93 6.023 -4.693 16.027 731 HD2 LYS 93 HD2 LYS 93 5.982 -5.890 13.826 732 HD3 LYS 93 HD3 LYS 93 6.734 -4.485 13.068 733 HE2 LYS 93 HE2 LYS 93 8.723 -4.784 14.501 734 HE3 LYS 93 HE3 LYS 93 7.959 -6.178 15.267 735 HZ1 LYS 93 HZ1 LYS 93 8.676 -5.964 12.395 736 HZ2 LYS 93 HZ2 LYS 93 7.960 -7.305 13.130 737 HZ3 LYS 93 HZ3 LYS 93 9.532 -6.840 13.562 738 H GLU 94 H GLU 94 1.489 -4.311 16.688 739 HA GLU 94 HA GLU 94 -0.497 -3.506 14.750 740 HB2 GLU 94 HB2 GLU 94 -1.989 -3.164 16.716 741 HB3 GLU 94 HB3 GLU 94 -1.260 -4.762 16.692 742 HG2 GLU 94 HG2 GLU 94 0.202 -4.247 18.501 743 HG3 GLU 94 HG3 GLU 94 -0.103 -2.518 18.367 744 H GLY 95 H GLY 95 -1.186 -1.459 14.235 745 HA2 GLY 95 HA2 GLY 95 -0.867 0.893 15.702 746 HA3 GLY 95 HA3 GLY 95 0.551 0.738 14.665 747 H GLU 96 H GLU 96 -0.095 2.643 13.628 748 HA GLU 96 HA GLU 96 -2.167 2.328 11.531 749 HB2 GLU 96 HB2 GLU 96 -3.037 4.554 11.897 750 HB3 GLU 96 HB3 GLU 96 -3.106 3.690 13.418 751 HG2 GLU 96 HG2 GLU 96 -1.106 5.849 12.667 752 HG3 GLU 96 HG3 GLU 96 -2.474 6.021 13.761 753 H SER 97 H SER 97 0.884 3.569 12.621 754 HA SER 97 HA SER 97 2.831 3.917 11.556 755 HB2 SER 97 HB2 SER 97 2.091 1.989 10.102 756 HB3 SER 97 HB3 SER 97 1.413 3.151 8.964 757 HG SER 97 HG SER 97 3.631 4.035 8.883 758 H ILE 98 H ILE 98 0.876 6.076 11.922 759 HA ILE 98 HA ILE 98 1.359 7.937 9.720 760 HB ILE 98 HB ILE 98 0.047 9.570 10.966 761 HG12 ILE 98 HG12 ILE 98 -0.014 7.593 13.305 762 HG13 ILE 98 HG13 ILE 98 0.909 9.090 13.270 763 HG21 ILE 98 HG21 ILE 98 -1.212 7.906 9.695 764 HG22 ILE 98 HG22 ILE 98 -2.112 8.359 11.140 765 HG23 ILE 98 HG23 ILE 98 -1.248 6.821 11.088 766 HD11 ILE 98 HD11 ILE 98 -2.098 8.845 13.244 767 HD12 ILE 98 HD12 ILE 98 -1.198 10.359 13.118 768 HD13 ILE 98 HD13 ILE 98 -1.077 9.383 14.579 769 H LEU 99 H LEU 99 2.297 10.099 10.206 770 HA LEU 99 HA LEU 99 4.284 10.212 12.395 771 HB2 LEU 99 HB2 LEU 99 6.050 10.947 10.846 772 HB3 LEU 99 HB3 LEU 99 5.474 9.350 10.430 773 HG LEU 99 HG LEU 99 3.930 10.825 8.700 774 HD11 LEU 99 HD11 LEU 99 5.238 12.595 7.620 775 HD12 LEU 99 HD12 LEU 99 6.497 12.444 8.849 776 HD13 LEU 99 HD13 LEU 99 4.885 13.001 9.299 777 HD21 LEU 99 HD21 LEU 99 6.746 9.915 8.092 778 HD22 LEU 99 HD22 LEU 99 5.456 10.205 6.925 779 HD23 LEU 99 HD23 LEU 99 5.301 8.901 8.095 780 H GLU 100 H GLU 100 4.729 12.300 13.111 781 HA GLU 100 HA GLU 100 4.492 14.601 11.544 782 HB2 GLU 100 HB2 GLU 100 2.048 14.369 11.892 783 HB3 GLU 100 HB3 GLU 100 2.281 14.372 13.637 784 HG2 GLU 100 HG2 GLU 100 2.961 16.666 13.645 785 HG3 GLU 100 HG3 GLU 100 3.152 16.692 11.891 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -14.909 -16.828 8.740 2 H2 GLY 1 H2 GLY 1 -13.407 -17.594 8.726 3 H3 GLY 1 H3 GLY 1 -14.663 -18.196 7.770 4 HA2 GLY 1 HA2 GLY 1 -13.082 -17.013 6.410 5 HA3 GLY 1 HA3 GLY 1 -14.650 -16.208 6.416 6 H GLY 2 H GLY 2 -12.167 -14.990 5.768 7 HA2 GLY 2 HA2 GLY 2 -12.196 -12.500 6.753 8 HA3 GLY 2 HA3 GLY 2 -11.333 -13.346 8.041 9 H SER 3 H SER 3 -11.267 -13.939 4.592 10 HA SER 3 HA SER 3 -8.542 -14.372 4.352 11 HB2 SER 3 HB2 SER 3 -10.536 -13.591 2.183 12 HB3 SER 3 HB3 SER 3 -8.961 -14.340 1.905 13 HG SER 3 HG SER 3 -10.621 -15.682 3.672 14 HA PRO 4 HA PRO 4 -6.624 -10.280 3.958 15 HB2 PRO 4 HB2 PRO 4 -5.086 -11.520 1.675 16 HB3 PRO 4 HB3 PRO 4 -4.488 -10.647 3.103 17 HG2 PRO 4 HG2 PRO 4 -4.241 -13.279 3.003 18 HG3 PRO 4 HG3 PRO 4 -4.732 -12.489 4.522 19 HD2 PRO 4 HD2 PRO 4 -6.446 -13.945 2.515 20 HD3 PRO 4 HD3 PRO 4 -6.496 -14.008 4.295 21 H ASP 5 H ASP 5 -7.875 -11.944 1.119 22 HA ASP 5 HA ASP 5 -8.088 -9.862 -0.731 23 HB2 ASP 5 HB2 ASP 5 -8.448 -12.205 -1.326 24 HB3 ASP 5 HB3 ASP 5 -9.847 -12.307 -0.261 25 H GLU 6 H GLU 6 -10.275 -10.807 1.898 26 HA GLU 6 HA GLU 6 -12.412 -9.004 1.296 27 HB2 GLU 6 HB2 GLU 6 -11.722 -10.484 3.874 28 HB3 GLU 6 HB3 GLU 6 -13.249 -9.659 3.570 29 HG2 GLU 6 HG2 GLU 6 -13.754 -11.215 1.735 30 HG3 GLU 6 HG3 GLU 6 -12.198 -12.010 1.966 31 H ASN 7 H ASN 7 -9.561 -8.889 3.365 32 HA ASN 7 HA ASN 7 -10.051 -6.411 4.627 33 HB2 ASN 7 HB2 ASN 7 -7.479 -7.934 4.045 34 HB3 ASN 7 HB3 ASN 7 -7.482 -6.410 4.930 35 HD21 ASN 7 HD21 ASN 7 -7.009 -9.387 5.567 36 HD22 ASN 7 HD22 ASN 7 -7.852 -9.615 7.055 37 H ILE 8 H ILE 8 -8.387 -7.227 1.569 38 HA ILE 8 HA ILE 8 -7.496 -4.681 0.805 39 HB ILE 8 HB ILE 8 -8.381 -7.067 -0.882 40 HG12 ILE 8 HG12 ILE 8 -5.564 -6.094 -0.192 41 HG13 ILE 8 HG13 ILE 8 -6.386 -7.426 0.603 42 HG21 ILE 8 HG21 ILE 8 -8.580 -5.079 -2.289 43 HG22 ILE 8 HG22 ILE 8 -7.188 -6.032 -2.801 44 HG23 ILE 8 HG23 ILE 8 -6.948 -4.568 -1.849 45 HD11 ILE 8 HD11 ILE 8 -4.787 -8.255 -0.997 46 HD12 ILE 8 HD12 ILE 8 -5.550 -7.338 -2.294 47 HD13 ILE 8 HD13 ILE 8 -6.421 -8.664 -1.519 48 H ALA 9 H ALA 9 -10.588 -6.348 0.087 49 HA ALA 9 HA ALA 9 -11.836 -4.388 -1.478 50 HB1 ALA 9 HB1 ALA 9 -12.664 -6.694 -1.240 51 HB2 ALA 9 HB2 ALA 9 -13.942 -5.528 -0.880 52 HB3 ALA 9 HB3 ALA 9 -13.115 -6.368 0.434 53 H LYS 10 H LYS 10 -11.567 -4.689 2.010 54 HA LYS 10 HA LYS 10 -13.365 -2.574 2.730 55 HB2 LYS 10 HB2 LYS 10 -12.993 -4.375 4.282 56 HB3 LYS 10 HB3 LYS 10 -11.251 -4.146 4.238 57 HG2 LYS 10 HG2 LYS 10 -11.406 -2.104 5.514 58 HG3 LYS 10 HG3 LYS 10 -13.163 -2.083 5.375 59 HD2 LYS 10 HD2 LYS 10 -12.345 -2.786 7.629 60 HD3 LYS 10 HD3 LYS 10 -13.368 -3.993 6.854 61 HE2 LYS 10 HE2 LYS 10 -10.353 -4.209 6.631 62 HE3 LYS 10 HE3 LYS 10 -11.174 -4.748 8.092 63 HZ1 LYS 10 HZ1 LYS 10 -10.909 -6.596 6.632 64 HZ2 LYS 10 HZ2 LYS 10 -11.633 -5.781 5.344 65 HZ3 LYS 10 HZ3 LYS 10 -12.552 -6.210 6.692 66 H PHE 11 H PHE 11 -9.840 -2.824 2.213 67 HA PHE 11 HA PHE 11 -9.212 -0.177 3.133 68 HB2 PHE 11 HB2 PHE 11 -7.589 -1.964 1.256 69 HB3 PHE 11 HB3 PHE 11 -6.996 -0.517 2.061 70 HD1 PHE 11 HD2 PHE 11 -8.180 -0.993 4.844 71 HD2 PHE 11 HD1 PHE 11 -6.115 -3.618 2.153 72 HE1 PHE 11 HE2 PHE 11 -7.437 -2.383 6.741 73 HE2 PHE 11 HE1 PHE 11 -5.385 -4.991 4.064 74 HZ PHE 11 HZ PHE 11 -6.048 -4.377 6.350 75 H GLU 12 H GLU 12 -10.222 -1.535 0.052 76 HA GLU 12 HA GLU 12 -9.705 0.755 -1.577 77 HB2 GLU 12 HB2 GLU 12 -11.628 -1.588 -1.945 78 HB3 GLU 12 HB3 GLU 12 -11.280 -0.392 -3.184 79 HG2 GLU 12 HG2 GLU 12 -9.154 -2.173 -1.964 80 HG3 GLU 12 HG3 GLU 12 -10.079 -2.618 -3.382 81 H LYS 13 H LYS 13 -12.441 -0.324 0.381 82 HA LYS 13 HA LYS 13 -14.318 1.641 -0.511 83 HB2 LYS 13 HB2 LYS 13 -14.925 -0.548 0.557 84 HB3 LYS 13 HB3 LYS 13 -14.252 0.029 2.072 85 HG2 LYS 13 HG2 LYS 13 -16.602 0.197 2.266 86 HG3 LYS 13 HG3 LYS 13 -16.010 1.840 2.072 87 HD2 LYS 13 HD2 LYS 13 -17.011 0.308 -0.343 88 HD3 LYS 13 HD3 LYS 13 -18.162 1.033 0.770 89 HE2 LYS 13 HE2 LYS 13 -17.158 3.252 0.368 90 HE3 LYS 13 HE3 LYS 13 -16.000 2.527 -0.751 91 HZ1 LYS 13 HZ1 LYS 13 -17.783 3.455 -2.001 92 HZ2 LYS 13 HZ2 LYS 13 -18.951 2.673 -1.060 93 HZ3 LYS 13 HZ3 LYS 13 -17.947 1.774 -2.078 94 H ALA 14 H ALA 14 -12.024 1.422 2.176 95 HA ALA 14 HA ALA 14 -12.671 3.925 3.420 96 HB1 ALA 14 HB1 ALA 14 -10.658 3.494 4.786 97 HB2 ALA 14 HB2 ALA 14 -10.219 2.152 3.723 98 HB3 ALA 14 HB3 ALA 14 -11.690 2.068 4.692 99 H TYR 15 H TYR 15 -10.538 2.853 0.885 100 HA TYR 15 HA TYR 15 -8.665 4.906 0.685 101 HB2 TYR 15 HB2 TYR 15 -8.554 2.764 -0.535 102 HB3 TYR 15 HB3 TYR 15 -9.944 3.214 -1.505 103 HD1 TYR 15 HD2 TYR 15 -6.345 3.841 -0.907 104 HD2 TYR 15 HD1 TYR 15 -9.663 4.709 -3.444 105 HE1 TYR 15 HE2 TYR 15 -4.822 4.761 -2.587 106 HE2 TYR 15 HE1 TYR 15 -8.124 5.616 -5.141 107 HH TYR 15 HH TYR 15 -4.801 5.121 -5.081 108 H LYS 16 H LYS 16 -11.837 4.569 -0.875 109 HA LYS 16 HA LYS 16 -11.681 7.004 -2.348 110 HB2 LYS 16 HB2 LYS 16 -14.020 5.166 -1.717 111 HB3 LYS 16 HB3 LYS 16 -14.114 6.528 -2.827 112 HG2 LYS 16 HG2 LYS 16 -12.325 4.104 -3.145 113 HG3 LYS 16 HG3 LYS 16 -13.812 4.428 -4.040 114 HD2 LYS 16 HD2 LYS 16 -12.789 6.429 -5.058 115 HD3 LYS 16 HD3 LYS 16 -11.310 6.161 -4.129 116 HE2 LYS 16 HE2 LYS 16 -11.039 3.971 -5.303 117 HE3 LYS 16 HE3 LYS 16 -12.444 4.370 -6.297 118 HZ1 LYS 16 HZ1 LYS 16 -10.326 4.903 -7.371 119 HZ2 LYS 16 HZ2 LYS 16 -9.965 5.994 -6.132 120 HZ3 LYS 16 HZ3 LYS 16 -11.287 6.279 -7.151 121 H LYS 17 H LYS 17 -13.054 6.141 0.783 122 HA LYS 17 HA LYS 17 -14.412 8.530 1.400 123 HB2 LYS 17 HB2 LYS 17 -14.585 6.475 2.769 124 HB3 LYS 17 HB3 LYS 17 -12.906 6.656 3.266 125 HG2 LYS 17 HG2 LYS 17 -13.484 8.810 4.385 126 HG3 LYS 17 HG3 LYS 17 -15.169 8.583 3.905 127 HD2 LYS 17 HD2 LYS 17 -14.886 7.914 6.229 128 HD3 LYS 17 HD3 LYS 17 -15.250 6.496 5.248 129 HE2 LYS 17 HE2 LYS 17 -12.890 5.834 5.276 130 HE3 LYS 17 HE3 LYS 17 -12.461 7.305 6.152 131 HZ1 LYS 17 HZ1 LYS 17 -14.200 5.117 7.178 132 HZ2 LYS 17 HZ2 LYS 17 -13.835 6.547 8.004 133 HZ3 LYS 17 HZ3 LYS 17 -12.607 5.441 7.658 134 H ALA 18 H ALA 18 -11.026 7.548 1.857 135 HA ALA 18 HA ALA 18 -10.118 10.022 2.963 136 HB1 ALA 18 HB1 ALA 18 -8.962 7.899 3.349 137 HB2 ALA 18 HB2 ALA 18 -7.875 9.079 2.612 138 HB3 ALA 18 HB3 ALA 18 -8.564 7.781 1.633 139 H GLU 19 H GLU 19 -10.539 8.807 -0.309 140 HA GLU 19 HA GLU 19 -8.753 10.554 -1.696 141 HB2 GLU 19 HB2 GLU 19 -9.611 8.357 -2.562 142 HB3 GLU 19 HB3 GLU 19 -11.202 9.080 -2.768 143 HG2 GLU 19 HG2 GLU 19 -10.286 10.656 -4.426 144 HG3 GLU 19 HG3 GLU 19 -8.674 9.980 -4.196 145 H GLU 20 H GLU 20 -12.220 10.684 -0.974 146 HA GLU 20 HA GLU 20 -12.747 13.060 -2.521 147 HB2 GLU 20 HB2 GLU 20 -14.990 12.988 -1.500 148 HB3 GLU 20 HB3 GLU 20 -14.520 11.419 -2.140 149 HG2 GLU 20 HG2 GLU 20 -13.908 10.702 0.183 150 HG3 GLU 20 HG3 GLU 20 -14.522 12.244 0.775 151 H LEU 21 H LEU 21 -11.817 12.386 0.781 152 HA LEU 21 HA LEU 21 -12.083 15.137 1.705 153 HB2 LEU 21 HB2 LEU 21 -10.811 12.680 2.983 154 HB3 LEU 21 HB3 LEU 21 -11.038 14.222 3.789 155 HG LEU 21 HG LEU 21 -13.301 12.438 2.797 156 HD11 LEU 21 HD11 LEU 21 -13.746 11.961 5.172 157 HD12 LEU 21 HD12 LEU 21 -12.311 12.880 5.636 158 HD13 LEU 21 HD13 LEU 21 -12.147 11.402 4.686 159 HD21 LEU 21 HD21 LEU 21 -14.777 13.963 4.045 160 HD22 LEU 21 HD22 LEU 21 -13.927 14.790 2.746 161 HD23 LEU 21 HD23 LEU 21 -13.396 15.001 4.416 162 H ASN 22 H ASN 22 -9.916 13.485 -0.220 163 HA ASN 22 HA ASN 22 -7.935 13.936 -1.179 164 HB2 ASN 22 HB2 ASN 22 -8.307 16.662 0.127 165 HB3 ASN 22 HB3 ASN 22 -6.973 16.297 -0.957 166 HD21 ASN 22 HD21 ASN 22 -10.412 15.323 -1.276 167 HD22 ASN 22 HD22 ASN 22 -10.665 16.163 -2.761 168 H GLN 23 H GLN 23 -8.195 12.895 1.611 169 HA GLN 23 HA GLN 23 -5.652 13.447 2.899 170 HB2 GLN 23 HB2 GLN 23 -7.793 11.357 3.506 171 HB3 GLN 23 HB3 GLN 23 -6.403 11.711 4.530 172 HG2 GLN 23 HG2 GLN 23 -7.271 13.998 4.892 173 HG3 GLN 23 HG3 GLN 23 -8.669 13.624 3.884 174 HE21 GLN 23 HE21 GLN 23 -10.110 14.043 5.620 175 HE22 GLN 23 HE22 GLN 23 -10.284 12.944 6.943 176 H GLY 24 H GLY 24 -4.331 12.919 1.084 177 HA2 GLY 24 HA2 GLY 24 -4.362 10.465 -0.302 178 HA3 GLY 24 HA3 GLY 24 -3.023 11.604 -0.254 179 H GLU 25 H GLU 25 -2.788 11.458 2.664 180 HA GLU 25 HA GLU 25 -0.812 9.524 2.990 181 HB2 GLU 25 HB2 GLU 25 -1.038 11.519 4.403 182 HB3 GLU 25 HB3 GLU 25 -2.569 10.931 5.046 183 HG2 GLU 25 HG2 GLU 25 -1.393 9.035 6.123 184 HG3 GLU 25 HG3 GLU 25 0.144 9.631 5.491 185 H LEU 26 H LEU 26 -4.240 9.429 3.885 186 HA LEU 26 HA LEU 26 -4.154 6.827 5.098 187 HB2 LEU 26 HB2 LEU 26 -6.457 8.622 4.358 188 HB3 LEU 26 HB3 LEU 26 -6.655 7.042 5.104 189 HG LEU 26 HG LEU 26 -4.988 7.977 6.934 190 HD11 LEU 26 HD11 LEU 26 -6.076 10.595 5.900 191 HD12 LEU 26 HD12 LEU 26 -4.398 10.056 5.820 192 HD13 LEU 26 HD13 LEU 26 -5.148 10.363 7.385 193 HD21 LEU 26 HD21 LEU 26 -7.241 7.277 7.369 194 HD22 LEU 26 HD22 LEU 26 -7.874 8.831 6.818 195 HD23 LEU 26 HD23 LEU 26 -6.877 8.743 8.276 196 H MET 27 H MET 27 -4.883 8.071 1.909 197 HA MET 27 HA MET 27 -5.854 5.664 0.735 198 HB2 MET 27 HB2 MET 27 -4.495 8.101 -0.472 199 HB3 MET 27 HB3 MET 27 -5.058 6.756 -1.446 200 HG2 MET 27 HG2 MET 27 -7.359 7.219 -0.291 201 HG3 MET 27 HG3 MET 27 -6.664 8.802 0.052 202 HE1 MET 27 HE1 MET 27 -4.784 9.181 -2.578 203 HE2 MET 27 HE2 MET 27 -5.800 10.471 -1.919 204 HE3 MET 27 HE3 MET 27 -5.901 10.056 -3.628 205 H GLY 28 H GLY 28 -2.629 7.035 1.217 206 HA2 GLY 28 HA2 GLY 28 -1.146 5.070 -0.214 207 HA3 GLY 28 HA3 GLY 28 -0.522 6.146 1.037 208 H ARG 29 H ARG 29 -2.110 5.430 3.190 209 HA ARG 29 HA ARG 29 -0.935 3.125 4.273 210 HB2 ARG 29 HB2 ARG 29 -3.459 4.652 5.033 211 HB3 ARG 29 HB3 ARG 29 -2.830 3.328 6.006 212 HG2 ARG 29 HG2 ARG 29 -0.819 4.576 6.530 213 HG3 ARG 29 HG3 ARG 29 -1.256 5.857 5.395 214 HD2 ARG 29 HD2 ARG 29 -3.188 6.462 6.771 215 HD3 ARG 29 HD3 ARG 29 -2.860 5.123 7.878 216 HE ARG 29 HE ARG 29 -0.544 6.594 7.884 217 HH11 ARG 29 HH11 ARG 29 -3.906 7.378 8.538 218 HH12 ARG 29 HH12 ARG 29 -3.530 8.623 9.684 219 HH21 ARG 29 HH21 ARG 29 -0.053 8.156 9.478 220 HH22 ARG 29 HH22 ARG 29 -1.332 9.061 10.220 221 H ALA 30 H ALA 30 -4.021 3.630 2.588 222 HA ALA 30 HA ALA 30 -5.174 1.096 3.072 223 HB1 ALA 30 HB1 ALA 30 -5.673 2.990 0.757 224 HB2 ALA 30 HB2 ALA 30 -6.466 3.042 2.332 225 HB3 ALA 30 HB3 ALA 30 -6.722 1.660 1.270 226 H LEU 31 H LEU 31 -3.371 2.337 0.219 227 HA LEU 31 HA LEU 31 -3.397 -0.093 -1.257 228 HB2 LEU 31 HB2 LEU 31 -1.481 2.269 -1.462 229 HB3 LEU 31 HB3 LEU 31 -1.633 0.991 -2.654 230 HG LEU 31 HG LEU 31 -3.791 3.015 -1.949 231 HD11 LEU 31 HD11 LEU 31 -3.396 3.945 -4.189 232 HD12 LEU 31 HD12 LEU 31 -2.090 2.787 -4.456 233 HD13 LEU 31 HD13 LEU 31 -1.932 4.020 -3.205 234 HD21 LEU 31 HD21 LEU 31 -5.059 2.057 -3.832 235 HD22 LEU 31 HD22 LEU 31 -4.790 0.870 -2.559 236 HD23 LEU 31 HD23 LEU 31 -3.824 0.809 -4.035 237 H TYR 32 H TYR 32 -1.178 1.279 1.093 238 HA TYR 32 HA TYR 32 0.999 -0.484 0.797 239 HB2 TYR 32 HB2 TYR 32 1.244 1.583 2.075 240 HB3 TYR 32 HB3 TYR 32 0.001 1.087 3.220 241 HD1 TYR 32 HD2 TYR 32 3.205 -0.285 1.824 242 HD2 TYR 32 HD1 TYR 32 0.828 0.355 5.314 243 HE1 TYR 32 HE2 TYR 32 4.939 -1.342 3.205 244 HE2 TYR 32 HE1 TYR 32 2.564 -0.705 6.689 245 HH TYR 32 HH TYR 32 5.681 -1.561 5.416 246 H ASN 33 H ASN 33 -1.830 -0.542 2.950 247 HA ASN 33 HA ASN 33 -1.229 -2.996 4.233 248 HB2 ASN 33 HB2 ASN 33 -3.772 -1.342 4.027 249 HB3 ASN 33 HB3 ASN 33 -3.738 -2.873 4.894 250 HD21 ASN 33 HD21 ASN 33 -4.250 -1.821 6.842 251 HD22 ASN 33 HD22 ASN 33 -3.098 -0.870 7.707 252 H ILE 34 H ILE 34 -3.107 -2.218 1.328 253 HA ILE 34 HA ILE 34 -4.150 -4.790 0.766 254 HB ILE 34 HB ILE 34 -3.335 -2.505 -1.090 255 HG12 ILE 34 HG12 ILE 34 -6.123 -3.419 -0.260 256 HG13 ILE 34 HG13 ILE 34 -5.257 -2.090 0.494 257 HG21 ILE 34 HG21 ILE 34 -3.232 -4.557 -2.405 258 HG22 ILE 34 HG22 ILE 34 -4.650 -3.621 -2.878 259 HG23 ILE 34 HG23 ILE 34 -4.835 -5.033 -1.840 260 HD11 ILE 34 HD11 ILE 34 -6.889 -1.280 -1.087 261 HD12 ILE 34 HD12 ILE 34 -6.140 -2.209 -2.384 262 HD13 ILE 34 HD13 ILE 34 -5.260 -0.881 -1.625 263 H GLY 35 H GLY 35 -1.082 -3.188 -0.081 264 HA2 GLY 35 HA2 GLY 35 0.071 -5.222 -1.634 265 HA3 GLY 35 HA3 GLY 35 0.947 -3.965 -0.770 266 H LEU 36 H LEU 36 0.106 -4.615 1.860 267 HA LEU 36 HA LEU 36 1.875 -6.656 2.658 268 HB2 LEU 36 HB2 LEU 36 -0.481 -5.403 4.133 269 HB3 LEU 36 HB3 LEU 36 0.675 -6.480 4.893 270 HG LEU 36 HG LEU 36 1.364 -3.751 3.709 271 HD11 LEU 36 HD11 LEU 36 -0.036 -3.532 5.715 272 HD12 LEU 36 HD12 LEU 36 1.609 -2.986 6.027 273 HD13 LEU 36 HD13 LEU 36 1.076 -4.559 6.623 274 HD21 LEU 36 HD21 LEU 36 3.252 -5.317 3.604 275 HD22 LEU 36 HD22 LEU 36 3.084 -5.659 5.328 276 HD23 LEU 36 HD23 LEU 36 3.548 -4.044 4.787 277 H GLU 37 H GLU 37 -1.682 -6.613 2.227 278 HA GLU 37 HA GLU 37 -2.175 -9.284 3.029 279 HB2 GLU 37 HB2 GLU 37 -3.828 -7.496 1.198 280 HB3 GLU 37 HB3 GLU 37 -4.381 -9.002 1.903 281 HG2 GLU 37 HG2 GLU 37 -3.737 -6.435 3.348 282 HG3 GLU 37 HG3 GLU 37 -5.309 -7.192 3.170 283 H LYS 38 H LYS 38 -1.440 -7.872 -0.152 284 HA LYS 38 HA LYS 38 -1.807 -10.186 -1.731 285 HB2 LYS 38 HB2 LYS 38 -0.009 -7.752 -2.073 286 HB3 LYS 38 HB3 LYS 38 -0.123 -9.007 -3.294 287 HG2 LYS 38 HG2 LYS 38 -2.468 -7.334 -2.346 288 HG3 LYS 38 HG3 LYS 38 -1.488 -6.976 -3.768 289 HD2 LYS 38 HD2 LYS 38 -2.132 -9.207 -4.723 290 HD3 LYS 38 HD3 LYS 38 -3.216 -9.447 -3.351 291 HE2 LYS 38 HE2 LYS 38 -4.549 -7.510 -4.028 292 HE3 LYS 38 HE3 LYS 38 -3.410 -7.157 -5.335 293 HZ1 LYS 38 HZ1 LYS 38 -3.982 -9.303 -6.336 294 HZ2 LYS 38 HZ2 LYS 38 -5.332 -8.301 -6.191 295 HZ3 LYS 38 HZ3 LYS 38 -5.106 -9.587 -5.108 296 H ASN 39 H ASN 39 1.003 -8.869 -0.002 297 HA ASN 39 HA ASN 39 2.952 -10.752 -0.758 298 HB2 ASN 39 HB2 ASN 39 3.348 -8.482 0.335 299 HB3 ASN 39 HB3 ASN 39 2.848 -9.178 1.867 300 HD21 ASN 39 HD21 ASN 39 5.417 -7.964 1.189 301 HD22 ASN 39 HD22 ASN 39 6.612 -9.181 1.485 302 H LYS 40 H LYS 40 0.629 -10.692 1.934 303 HA LYS 40 HA LYS 40 1.475 -12.964 3.375 304 HB2 LYS 40 HB2 LYS 40 -1.320 -11.761 3.074 305 HB3 LYS 40 HB3 LYS 40 -0.907 -12.995 4.256 306 HG2 LYS 40 HG2 LYS 40 0.337 -10.238 4.161 307 HG3 LYS 40 HG3 LYS 40 -1.018 -10.691 5.189 308 HD2 LYS 40 HD2 LYS 40 0.355 -12.269 6.417 309 HD3 LYS 40 HD3 LYS 40 1.708 -12.032 5.307 310 HE2 LYS 40 HE2 LYS 40 1.894 -9.684 6.043 311 HE3 LYS 40 HE3 LYS 40 0.534 -9.918 7.143 312 HZ1 LYS 40 HZ1 LYS 40 2.621 -10.081 8.299 313 HZ2 LYS 40 HZ2 LYS 40 3.138 -11.327 7.281 314 HZ3 LYS 40 HZ3 LYS 40 1.833 -11.578 8.325 315 H MET 41 H MET 41 -0.714 -12.595 0.633 316 HA MET 41 HA MET 41 -1.546 -15.382 0.611 317 HB2 MET 41 HB2 MET 41 -2.140 -13.107 -1.323 318 HB3 MET 41 HB3 MET 41 -2.890 -14.695 -1.377 319 HG2 MET 41 HG2 MET 41 -3.891 -14.274 0.835 320 HG3 MET 41 HG3 MET 41 -3.171 -12.669 0.844 321 HE1 MET 41 HE1 MET 41 -3.908 -10.695 -0.834 322 HE2 MET 41 HE2 MET 41 -5.110 -10.907 -2.104 323 HE3 MET 41 HE3 MET 41 -3.552 -11.725 -2.224 324 H GLY 42 H GLY 42 1.224 -13.829 -0.446 325 HA2 GLY 42 HA2 GLY 42 3.001 -14.737 -1.631 326 HA3 GLY 42 HA3 GLY 42 1.973 -16.054 -2.161 327 H LYS 43 H LYS 43 0.383 -13.176 -2.810 328 HA LYS 43 HA LYS 43 1.177 -13.081 -5.619 329 HB2 LYS 43 HB2 LYS 43 -0.858 -11.453 -4.020 330 HB3 LYS 43 HB3 LYS 43 -0.515 -11.169 -5.721 331 HG2 LYS 43 HG2 LYS 43 -2.542 -12.412 -5.592 332 HG3 LYS 43 HG3 LYS 43 -1.306 -13.509 -6.203 333 HD2 LYS 43 HD2 LYS 43 -1.096 -14.527 -3.970 334 HD3 LYS 43 HD3 LYS 43 -2.285 -13.390 -3.329 335 HE2 LYS 43 HE2 LYS 43 -3.307 -15.576 -3.747 336 HE3 LYS 43 HE3 LYS 43 -4.007 -14.352 -4.809 337 HZ1 LYS 43 HZ1 LYS 43 -2.646 -15.155 -6.611 338 HZ2 LYS 43 HZ2 LYS 43 -3.524 -16.443 -5.955 339 HZ3 LYS 43 HZ3 LYS 43 -1.881 -16.273 -5.601 340 H VAL 44 H VAL 44 3.406 -12.613 -4.881 341 HA VAL 44 HA VAL 44 4.013 -10.324 -3.281 342 HB VAL 44 HB VAL 44 5.902 -12.169 -4.813 343 HG11 VAL 44 HG11 VAL 44 6.475 -10.306 -2.494 344 HG12 VAL 44 HG12 VAL 44 7.021 -10.098 -4.159 345 HG13 VAL 44 HG13 VAL 44 7.618 -11.451 -3.198 346 HG21 VAL 44 HG21 VAL 44 6.195 -13.379 -2.653 347 HG22 VAL 44 HG22 VAL 44 4.538 -13.482 -3.255 348 HG23 VAL 44 HG23 VAL 44 4.928 -12.376 -1.938 349 H LYS 45 H LYS 45 3.967 -10.950 -6.749 350 HA LYS 45 HA LYS 45 5.420 -8.627 -7.553 351 HB2 LYS 45 HB2 LYS 45 3.385 -10.313 -9.067 352 HB3 LYS 45 HB3 LYS 45 4.177 -8.911 -9.781 353 HG2 LYS 45 HG2 LYS 45 5.377 -10.791 -10.558 354 HG3 LYS 45 HG3 LYS 45 6.399 -10.068 -9.315 355 HD2 LYS 45 HD2 LYS 45 5.668 -11.780 -7.702 356 HD3 LYS 45 HD3 LYS 45 4.571 -12.462 -8.905 357 HE2 LYS 45 HE2 LYS 45 6.548 -12.995 -10.337 358 HE3 LYS 45 HE3 LYS 45 7.603 -12.416 -9.043 359 HZ1 LYS 45 HZ1 LYS 45 5.695 -14.686 -8.857 360 HZ2 LYS 45 HZ2 LYS 45 6.647 -14.106 -7.587 361 HZ3 LYS 45 HZ3 LYS 45 7.382 -14.793 -8.945 362 H GLU 46 H GLU 46 1.967 -9.319 -7.056 363 HA GLU 46 HA GLU 46 0.985 -6.732 -7.737 364 HB2 GLU 46 HB2 GLU 46 -0.336 -8.850 -5.994 365 HB3 GLU 46 HB3 GLU 46 -1.137 -7.482 -6.758 366 HG2 GLU 46 HG2 GLU 46 -0.413 -8.462 -9.011 367 HG3 GLU 46 HG3 GLU 46 0.070 -9.905 -8.121 368 H ALA 47 H ALA 47 2.218 -8.182 -4.798 369 HA ALA 47 HA ALA 47 1.498 -6.266 -2.902 370 HB1 ALA 47 HB1 ALA 47 3.418 -7.069 -1.601 371 HB2 ALA 47 HB2 ALA 47 4.054 -7.899 -3.027 372 HB3 ALA 47 HB3 ALA 47 2.521 -8.412 -2.312 373 H ILE 48 H ILE 48 4.365 -6.479 -4.999 374 HA ILE 48 HA ILE 48 5.741 -4.159 -4.260 375 HB ILE 48 HB ILE 48 5.649 -5.695 -6.902 376 HG12 ILE 48 HG12 ILE 48 7.720 -5.602 -4.671 377 HG13 ILE 48 HG13 ILE 48 6.594 -6.917 -4.969 378 HG21 ILE 48 HG21 ILE 48 7.703 -4.518 -7.615 379 HG22 ILE 48 HG22 ILE 48 7.588 -3.467 -6.205 380 HG23 ILE 48 HG23 ILE 48 6.345 -3.399 -7.454 381 HD11 ILE 48 HD11 ILE 48 8.794 -7.491 -5.746 382 HD12 ILE 48 HD12 ILE 48 8.851 -6.059 -6.772 383 HD13 ILE 48 HD13 ILE 48 7.697 -7.350 -7.119 384 H GLU 49 H GLU 49 3.319 -4.660 -6.838 385 HA GLU 49 HA GLU 49 3.440 -2.119 -8.003 386 HB2 GLU 49 HB2 GLU 49 1.036 -3.982 -7.871 387 HB3 GLU 49 HB3 GLU 49 1.249 -2.649 -9.004 388 HG2 GLU 49 HG2 GLU 49 3.195 -3.772 -10.012 389 HG3 GLU 49 HG3 GLU 49 3.043 -5.092 -8.855 390 H TYR 50 H TYR 50 1.383 -3.335 -5.363 391 HA TYR 50 HA TYR 50 -0.016 -0.865 -4.992 392 HB2 TYR 50 HB2 TYR 50 0.109 -3.471 -3.474 393 HB3 TYR 50 HB3 TYR 50 -0.630 -2.065 -2.728 394 HD1 TYR 50 HD2 TYR 50 -2.521 -0.860 -4.075 395 HD2 TYR 50 HD1 TYR 50 -1.195 -4.839 -4.946 396 HE1 TYR 50 HE2 TYR 50 -4.632 -1.307 -5.249 397 HE2 TYR 50 HE1 TYR 50 -3.311 -5.282 -6.117 398 HH TYR 50 HH TYR 50 -5.571 -2.760 -6.844 399 H PHE 51 H PHE 51 2.929 -2.248 -3.531 400 HA PHE 51 HA PHE 51 3.160 -0.324 -1.414 401 HB2 PHE 51 HB2 PHE 51 5.303 -2.003 -2.785 402 HB3 PHE 51 HB3 PHE 51 5.628 -0.965 -1.406 403 HD1 PHE 51 HD1 PHE 51 3.093 -1.644 0.214 404 HD2 PHE 51 HD2 PHE 51 5.957 -4.078 -1.847 405 HE1 PHE 51 HE1 PHE 51 2.648 -3.503 1.766 406 HE2 PHE 51 HE2 PHE 51 5.484 -5.937 -0.295 407 HZ PHE 51 HZ PHE 51 3.834 -5.645 1.511 408 H LEU 52 H LEU 52 4.057 -0.374 -4.791 409 HA LEU 52 HA LEU 52 5.833 1.894 -4.775 410 HB2 LEU 52 HB2 LEU 52 4.342 0.481 -7.023 411 HB3 LEU 52 HB3 LEU 52 5.419 1.835 -7.309 412 HG LEU 52 HG LEU 52 6.291 -0.835 -6.124 413 HD11 LEU 52 HD11 LEU 52 7.345 -1.269 -8.301 414 HD12 LEU 52 HD12 LEU 52 6.690 0.241 -8.939 415 HD13 LEU 52 HD13 LEU 52 5.603 -1.070 -8.479 416 HD21 LEU 52 HD21 LEU 52 7.683 1.044 -5.372 417 HD22 LEU 52 HD22 LEU 52 7.946 1.535 -7.046 418 HD23 LEU 52 HD23 LEU 52 8.575 -0.009 -6.467 419 H ARG 53 H ARG 53 2.431 1.350 -5.654 420 HA ARG 53 HA ARG 53 1.713 4.003 -6.314 421 HB2 ARG 53 HB2 ARG 53 0.000 1.718 -5.232 422 HB3 ARG 53 HB3 ARG 53 -0.644 3.205 -5.915 423 HG2 ARG 53 HG2 ARG 53 0.190 2.658 -8.107 424 HG3 ARG 53 HG3 ARG 53 1.104 1.288 -7.478 425 HD2 ARG 53 HD2 ARG 53 -1.077 0.219 -6.810 426 HD3 ARG 53 HD3 ARG 53 -1.920 1.553 -7.607 427 HE ARG 53 HE ARG 53 -0.099 0.314 -9.400 428 HH11 ARG 53 HH11 ARG 53 -3.230 -0.227 -7.875 429 HH12 ARG 53 HH12 ARG 53 -3.810 -1.258 -9.144 430 HH21 ARG 53 HH21 ARG 53 -0.864 -1.049 -11.079 431 HH22 ARG 53 HH22 ARG 53 -2.457 -1.725 -10.969 432 H ALA 54 H ALA 54 1.568 2.166 -3.266 433 HA ALA 54 HA ALA 54 0.319 4.057 -1.613 434 HB1 ALA 54 HB1 ALA 54 1.322 2.797 0.250 435 HB2 ALA 54 HB2 ALA 54 2.405 1.978 -0.881 436 HB3 ALA 54 HB3 ALA 54 0.662 1.715 -0.975 437 H LYS 55 H LYS 55 3.745 3.433 -2.260 438 HA LYS 55 HA LYS 55 4.846 5.336 -0.482 439 HB2 LYS 55 HB2 LYS 55 5.966 3.253 -1.592 440 HB3 LYS 55 HB3 LYS 55 6.237 4.295 -2.985 441 HG2 LYS 55 HG2 LYS 55 7.403 5.905 -1.293 442 HG3 LYS 55 HG3 LYS 55 7.375 4.526 -0.195 443 HD2 LYS 55 HD2 LYS 55 9.527 4.524 -1.226 444 HD3 LYS 55 HD3 LYS 55 8.621 3.205 -1.983 445 HE2 LYS 55 HE2 LYS 55 9.840 4.488 -3.676 446 HE3 LYS 55 HE3 LYS 55 8.107 4.709 -3.901 447 HZ1 LYS 55 HZ1 LYS 55 8.251 6.842 -2.786 448 HZ2 LYS 55 HZ2 LYS 55 9.335 6.798 -4.083 449 HZ3 LYS 55 HZ3 LYS 55 9.901 6.619 -2.507 450 H LYS 56 H LYS 56 3.921 5.383 -3.868 451 HA LYS 56 HA LYS 56 5.110 7.778 -4.736 452 HB2 LYS 56 HB2 LYS 56 4.193 5.991 -6.220 453 HB3 LYS 56 HB3 LYS 56 2.559 6.407 -5.722 454 HG2 LYS 56 HG2 LYS 56 2.823 8.639 -6.784 455 HG3 LYS 56 HG3 LYS 56 4.462 8.198 -7.273 456 HD2 LYS 56 HD2 LYS 56 3.496 6.283 -8.593 457 HD3 LYS 56 HD3 LYS 56 1.883 6.864 -8.179 458 HE2 LYS 56 HE2 LYS 56 3.957 8.413 -9.767 459 HE3 LYS 56 HE3 LYS 56 2.561 7.575 -10.440 460 HZ1 LYS 56 HZ1 LYS 56 2.196 9.961 -10.196 461 HZ2 LYS 56 HZ2 LYS 56 2.416 9.837 -8.521 462 HZ3 LYS 56 HZ3 LYS 56 1.107 9.064 -9.262 463 H VAL 57 H VAL 57 1.928 7.090 -3.316 464 HA VAL 57 HA VAL 57 0.978 9.795 -3.442 465 HB VAL 57 HB VAL 57 -0.057 7.518 -1.702 466 HG11 VAL 57 HG11 VAL 57 -1.430 10.061 -2.620 467 HG12 VAL 57 HG12 VAL 57 -0.903 9.703 -0.974 468 HG13 VAL 57 HG13 VAL 57 -2.195 8.755 -1.714 469 HG21 VAL 57 HG21 VAL 57 -0.059 6.870 -4.091 470 HG22 VAL 57 HG22 VAL 57 -0.981 8.318 -4.481 471 HG23 VAL 57 HG23 VAL 57 -1.699 7.060 -3.473 472 H PHE 58 H PHE 58 2.539 7.770 -0.937 473 HA PHE 58 HA PHE 58 2.526 9.578 1.212 474 HB2 PHE 58 HB2 PHE 58 4.469 7.363 0.463 475 HB3 PHE 58 HB3 PHE 58 4.713 8.333 1.906 476 HD1 PHE 58 HD2 PHE 58 1.831 8.561 2.850 477 HD2 PHE 58 HD1 PHE 58 4.073 5.208 1.397 478 HE1 PHE 58 HE2 PHE 58 0.447 7.031 4.195 479 HE2 PHE 58 HE1 PHE 58 2.678 3.695 2.752 480 HZ PHE 58 HZ PHE 58 0.875 4.609 4.152 481 H ASP 59 H ASP 59 4.713 9.339 -1.557 482 HA ASP 59 HA ASP 59 6.672 11.225 -0.724 483 HB2 ASP 59 HB2 ASP 59 5.810 10.465 -3.548 484 HB3 ASP 59 HB3 ASP 59 7.257 11.388 -3.167 485 H ALA 60 H ALA 60 3.624 11.544 -2.495 486 HA ALA 60 HA ALA 60 3.825 14.313 -3.146 487 HB1 ALA 60 HB1 ALA 60 1.384 12.519 -2.963 488 HB2 ALA 60 HB2 ALA 60 2.376 12.787 -4.396 489 HB3 ALA 60 HB3 ALA 60 1.426 14.113 -3.723 490 H GLU 61 H GLU 61 2.430 12.516 -0.438 491 HA GLU 61 HA GLU 61 1.307 14.780 0.937 492 HB2 GLU 61 HB2 GLU 61 1.932 11.946 1.870 493 HB3 GLU 61 HB3 GLU 61 1.073 13.135 2.838 494 HG2 GLU 61 HG2 GLU 61 0.109 12.137 0.155 495 HG3 GLU 61 HG3 GLU 61 -0.386 11.463 1.704 496 H HIS 62 H HIS 62 4.455 13.609 0.534 497 HA HIS 62 HA HIS 62 6.469 13.944 1.418 498 HB2 HIS 62 HB2 HIS 62 5.179 16.185 3.019 499 HB3 HIS 62 HB3 HIS 62 6.918 15.927 2.874 500 HD1 HIS 62 HD1 HIS 62 4.581 18.165 1.632 501 HD2 HIS 62 HD2 HIS 62 7.394 15.759 -0.269 502 HE1 HIS 62 HE1 HIS 62 5.033 19.258 -0.581 503 HE2 HIS 62 HE2 HIS 62 6.587 17.687 -1.770 504 H ASP 63 H ASP 63 4.360 12.199 2.725 505 HA ASP 63 HA ASP 63 5.336 11.894 5.437 506 HB2 ASP 63 HB2 ASP 63 2.985 11.303 4.954 507 HB3 ASP 63 HB3 ASP 63 3.506 10.093 3.785 508 H THR 64 H THR 64 7.530 11.774 4.957 509 HA THR 64 HA THR 64 8.736 9.837 3.288 510 HB THR 64 HB THR 64 9.932 11.889 3.854 511 HG1 THR 64 HG1 THR 64 10.985 9.475 3.910 512 HG21 THR 64 HG21 THR 64 10.081 10.846 6.698 513 HG22 THR 64 HG22 THR 64 9.143 12.243 6.162 514 HG23 THR 64 HG23 THR 64 10.907 12.276 6.083 515 H ASP 65 H ASP 65 7.658 9.759 6.630 516 HA ASP 65 HA ASP 65 9.167 7.510 7.505 517 HB2 ASP 65 HB2 ASP 65 8.030 9.166 9.014 518 HB3 ASP 65 HB3 ASP 65 6.465 8.517 8.534 519 H GLY 66 H GLY 66 5.784 7.823 6.339 520 HA2 GLY 66 HA2 GLY 66 5.148 5.074 6.276 521 HA3 GLY 66 HA3 GLY 66 4.347 6.339 5.344 522 H ALA 67 H ALA 67 6.653 7.199 3.857 523 HA ALA 67 HA ALA 67 6.516 5.439 1.652 524 HB1 ALA 67 HB1 ALA 67 8.505 7.676 2.146 525 HB2 ALA 67 HB2 ALA 67 6.905 7.859 1.430 526 HB3 ALA 67 HB3 ALA 67 8.138 6.921 0.579 527 H ARG 68 H ARG 68 9.082 5.972 4.070 528 HA ARG 68 HA ARG 68 11.003 4.178 2.980 529 HB2 ARG 68 HB2 ARG 68 10.589 5.099 5.857 530 HB3 ARG 68 HB3 ARG 68 12.002 4.208 5.300 531 HG2 ARG 68 HG2 ARG 68 12.716 6.052 3.913 532 HG3 ARG 68 HG3 ARG 68 11.208 6.925 4.206 533 HD2 ARG 68 HD2 ARG 68 11.840 6.933 6.679 534 HD3 ARG 68 HD3 ARG 68 13.433 6.342 6.183 535 HE ARG 68 HE ARG 68 12.946 8.601 4.664 536 HH11 ARG 68 HH11 ARG 68 13.247 7.897 8.094 537 HH12 ARG 68 HH12 ARG 68 13.834 9.479 8.492 538 HH21 ARG 68 HH21 ARG 68 13.667 10.680 5.191 539 HH22 ARG 68 HH22 ARG 68 14.070 11.059 6.834 540 H ARG 69 H ARG 69 8.292 3.780 5.182 541 HA ARG 69 HA ARG 69 8.811 1.095 6.009 542 HB2 ARG 69 HB2 ARG 69 7.414 2.702 7.286 543 HB3 ARG 69 HB3 ARG 69 6.223 2.711 5.992 544 HG2 ARG 69 HG2 ARG 69 5.772 0.299 6.427 545 HG3 ARG 69 HG3 ARG 69 6.935 0.343 7.757 546 HD2 ARG 69 HD2 ARG 69 4.561 0.534 8.505 547 HD3 ARG 69 HD3 ARG 69 5.551 1.915 8.983 548 HE ARG 69 HE ARG 69 4.552 3.049 6.948 549 HH11 ARG 69 HH11 ARG 69 2.744 0.660 8.805 550 HH12 ARG 69 HH12 ARG 69 1.204 1.317 8.350 551 HH21 ARG 69 HH21 ARG 69 2.527 3.842 6.321 552 HH22 ARG 69 HH22 ARG 69 1.086 3.112 6.948 553 H ALA 70 H ALA 70 7.011 2.578 3.340 554 HA ALA 70 HA ALA 70 5.807 0.197 2.300 555 HB1 ALA 70 HB1 ALA 70 5.316 1.560 0.305 556 HB2 ALA 70 HB2 ALA 70 6.371 2.843 0.912 557 HB3 ALA 70 HB3 ALA 70 4.899 2.419 1.789 558 H ALA 71 H ALA 71 8.798 1.955 1.681 559 HA ALA 71 HA ALA 71 9.741 0.313 -0.464 560 HB1 ALA 71 HB1 ALA 71 11.249 2.265 1.303 561 HB2 ALA 71 HB2 ALA 71 10.431 2.652 -0.212 562 HB3 ALA 71 HB3 ALA 71 11.828 1.575 -0.219 563 H LYS 72 H LYS 72 9.946 0.175 3.030 564 HA LYS 72 HA LYS 72 12.108 -1.690 3.206 565 HB2 LYS 72 HB2 LYS 72 10.911 -0.109 5.053 566 HB3 LYS 72 HB3 LYS 72 10.000 -1.568 5.379 567 HG2 LYS 72 HG2 LYS 72 13.025 -1.307 5.516 568 HG3 LYS 72 HG3 LYS 72 11.937 -1.272 6.892 569 HD2 LYS 72 HD2 LYS 72 12.336 -3.657 5.051 570 HD3 LYS 72 HD3 LYS 72 13.079 -3.454 6.636 571 HE2 LYS 72 HE2 LYS 72 10.876 -3.457 7.703 572 HE3 LYS 72 HE3 LYS 72 10.098 -3.598 6.119 573 HZ1 LYS 72 HZ1 LYS 72 11.850 -5.586 7.442 574 HZ2 LYS 72 HZ2 LYS 72 11.358 -5.694 5.833 575 HZ3 LYS 72 HZ3 LYS 72 10.211 -5.746 7.075 576 H SER 73 H SER 73 8.553 -1.969 3.251 577 HA SER 73 HA SER 73 8.367 -4.786 3.319 578 HB2 SER 73 HB2 SER 73 6.413 -2.725 2.246 579 HB3 SER 73 HB3 SER 73 6.022 -4.397 2.632 580 HG SER 73 HG SER 73 6.874 -3.815 4.813 581 H LEU 74 H LEU 74 8.731 -2.478 0.669 582 HA LEU 74 HA LEU 74 8.503 -4.204 -1.534 583 HB2 LEU 74 HB2 LEU 74 9.948 -1.602 -1.029 584 HB3 LEU 74 HB3 LEU 74 10.347 -2.482 -2.491 585 HG LEU 74 HG LEU 74 7.517 -1.635 -1.778 586 HD11 LEU 74 HD11 LEU 74 9.453 -0.247 -3.647 587 HD12 LEU 74 HD12 LEU 74 8.875 0.372 -2.099 588 HD13 LEU 74 HD13 LEU 74 7.744 0.150 -3.433 589 HD21 LEU 74 HD21 LEU 74 7.062 -2.128 -4.148 590 HD22 LEU 74 HD22 LEU 74 7.639 -3.552 -3.287 591 HD23 LEU 74 HD23 LEU 74 8.731 -2.668 -4.357 592 H SER 75 H SER 75 11.320 -3.416 0.526 593 HA SER 75 HA SER 75 13.298 -4.855 -0.819 594 HB2 SER 75 HB2 SER 75 13.066 -4.402 2.188 595 HB3 SER 75 HB3 SER 75 14.547 -4.791 1.305 596 HG SER 75 HG SER 75 13.117 -2.411 1.444 597 H GLU 76 H GLU 76 10.929 -5.926 1.563 598 HA GLU 76 HA GLU 76 11.856 -8.598 1.861 599 HB2 GLU 76 HB2 GLU 76 9.012 -7.600 2.293 600 HB3 GLU 76 HB3 GLU 76 9.759 -9.021 3.006 601 HG2 GLU 76 HG2 GLU 76 10.363 -6.130 3.620 602 HG3 GLU 76 HG3 GLU 76 9.638 -7.324 4.688 603 H ALA 77 H ALA 77 9.460 -7.049 -0.232 604 HA ALA 77 HA ALA 77 8.363 -9.411 -1.369 605 HB1 ALA 77 HB1 ALA 77 7.168 -7.269 -1.298 606 HB2 ALA 77 HB2 ALA 77 7.294 -7.866 -2.953 607 HB3 ALA 77 HB3 ALA 77 8.343 -6.555 -2.404 608 H TYR 78 H TYR 78 10.996 -7.243 -2.380 609 HA TYR 78 HA TYR 78 11.431 -8.336 -4.958 610 HB2 TYR 78 HB2 TYR 78 13.233 -6.725 -3.106 611 HB3 TYR 78 HB3 TYR 78 13.759 -7.245 -4.702 612 HD1 TYR 78 HD2 TYR 78 11.692 -6.698 -6.559 613 HD2 TYR 78 HD1 TYR 78 12.674 -4.442 -3.065 614 HE1 TYR 78 HE2 TYR 78 10.666 -4.691 -7.555 615 HE2 TYR 78 HE1 TYR 78 11.654 -2.446 -4.066 616 HH TYR 78 HH TYR 78 9.598 -2.558 -6.680 617 H GLN 79 H GLN 79 12.379 -9.437 -1.778 618 HA GLN 79 HA GLN 79 14.499 -11.165 -2.416 619 HB2 GLN 79 HB2 GLN 79 12.345 -11.433 -0.272 620 HB3 GLN 79 HB3 GLN 79 13.798 -12.424 -0.326 621 HG2 GLN 79 HG2 GLN 79 15.215 -10.522 0.121 622 HG3 GLN 79 HG3 GLN 79 13.866 -9.403 -0.095 623 HE21 GLN 79 HE21 GLN 79 14.192 -8.512 1.978 624 HE22 GLN 79 HE22 GLN 79 13.739 -9.364 3.413 625 H LYS 80 H LYS 80 10.980 -11.735 -2.483 626 HA LYS 80 HA LYS 80 11.244 -14.507 -3.273 627 HB2 LYS 80 HB2 LYS 80 8.812 -12.694 -3.035 628 HB3 LYS 80 HB3 LYS 80 8.713 -14.372 -3.549 629 HG2 LYS 80 HG2 LYS 80 8.143 -14.458 -1.280 630 HG3 LYS 80 HG3 LYS 80 9.830 -14.959 -1.293 631 HD2 LYS 80 HD2 LYS 80 9.659 -13.493 0.551 632 HD3 LYS 80 HD3 LYS 80 10.362 -12.487 -0.720 633 HE2 LYS 80 HE2 LYS 80 8.628 -11.242 0.439 634 HE3 LYS 80 HE3 LYS 80 8.072 -11.591 -1.198 635 HZ1 LYS 80 HZ1 LYS 80 6.772 -13.444 -0.286 636 HZ2 LYS 80 HZ2 LYS 80 6.331 -11.978 0.411 637 HZ3 LYS 80 HZ3 LYS 80 7.300 -13.051 1.274 638 H VAL 81 H VAL 81 10.662 -11.443 -4.890 639 HA VAL 81 HA VAL 81 9.742 -12.541 -7.387 640 HB VAL 81 HB VAL 81 10.588 -9.751 -6.509 641 HG11 VAL 81 HG11 VAL 81 9.621 -8.885 -8.635 642 HG12 VAL 81 HG12 VAL 81 9.416 -10.541 -9.211 643 HG13 VAL 81 HG13 VAL 81 11.035 -9.899 -8.931 644 HG21 VAL 81 HG21 VAL 81 7.869 -10.982 -7.102 645 HG22 VAL 81 HG22 VAL 81 8.141 -9.294 -6.691 646 HG23 VAL 81 HG23 VAL 81 8.503 -10.550 -5.512 647 H GLU 82 H GLU 82 12.784 -10.938 -6.367 648 HA GLU 82 HA GLU 82 14.178 -11.599 -8.834 649 HB2 GLU 82 HB2 GLU 82 15.295 -10.420 -6.249 650 HB3 GLU 82 HB3 GLU 82 16.070 -10.404 -7.828 651 HG2 GLU 82 HG2 GLU 82 14.334 -8.897 -8.688 652 HG3 GLU 82 HG3 GLU 82 13.503 -8.953 -7.134 653 H GLY 83 H GLY 83 13.348 -13.398 -6.159 654 HA2 GLY 83 HA2 GLY 83 15.663 -14.839 -5.453 655 HA3 GLY 83 HA3 GLY 83 14.009 -15.382 -5.277 656 H SER 84 H SER 84 16.703 -15.187 -7.490 657 HA SER 84 HA SER 84 15.506 -17.131 -9.356 658 HB2 SER 84 HB2 SER 84 17.468 -16.392 -10.817 659 HB3 SER 84 HB3 SER 84 16.286 -15.137 -10.437 660 HG SER 84 HG SER 84 17.907 -14.049 -9.682 661 H GLY 85 H GLY 85 15.874 -18.607 -7.414 662 HA2 GLY 85 HA2 GLY 85 18.505 -19.728 -7.031 663 HA3 GLY 85 HA3 GLY 85 16.980 -20.377 -6.444 664 H ASP 86 H ASP 86 15.668 -20.530 -8.974 665 HA ASP 86 HA ASP 86 16.873 -22.969 -10.027 666 HB2 ASP 86 HB2 ASP 86 14.233 -21.590 -10.677 667 HB3 ASP 86 HB3 ASP 86 14.731 -23.153 -11.317 668 H LYS 87 H LYS 87 15.960 -19.715 -11.127 669 HA LYS 87 HA LYS 87 16.436 -18.414 -12.886 670 HB2 LYS 87 HB2 LYS 87 18.856 -20.236 -13.248 671 HB3 LYS 87 HB3 LYS 87 18.625 -18.710 -14.096 672 HG2 LYS 87 HG2 LYS 87 18.692 -17.484 -11.986 673 HG3 LYS 87 HG3 LYS 87 18.834 -18.997 -11.085 674 HD2 LYS 87 HD2 LYS 87 21.020 -19.443 -12.193 675 HD3 LYS 87 HD3 LYS 87 20.887 -17.910 -13.064 676 HE2 LYS 87 HE2 LYS 87 20.924 -16.684 -10.932 677 HE3 LYS 87 HE3 LYS 87 20.990 -18.205 -10.041 678 HZ1 LYS 87 HZ1 LYS 87 23.171 -17.227 -10.207 679 HZ2 LYS 87 HZ2 LYS 87 23.075 -17.180 -11.896 680 HZ3 LYS 87 HZ3 LYS 87 23.128 -18.663 -11.089 681 H GLY 88 H GLY 88 14.918 -18.524 -14.418 682 HA2 GLY 88 HA2 GLY 88 14.121 -20.786 -15.889 683 HA3 GLY 88 HA3 GLY 88 13.763 -19.120 -16.317 684 H LYS 89 H LYS 89 15.221 -21.875 -17.403 685 HA LYS 89 HA LYS 89 17.647 -21.047 -18.573 686 HB2 LYS 89 HB2 LYS 89 15.715 -23.242 -19.463 687 HB3 LYS 89 HB3 LYS 89 17.332 -23.019 -20.121 688 HG2 LYS 89 HG2 LYS 89 18.285 -23.399 -17.846 689 HG3 LYS 89 HG3 LYS 89 16.654 -23.741 -17.252 690 HD2 LYS 89 HD2 LYS 89 16.457 -25.658 -18.766 691 HD3 LYS 89 HD3 LYS 89 18.019 -25.284 -19.501 692 HE2 LYS 89 HE2 LYS 89 18.259 -27.136 -17.938 693 HE3 LYS 89 HE3 LYS 89 19.123 -25.732 -17.315 694 HZ1 LYS 89 HZ1 LYS 89 17.236 -25.287 -15.861 695 HZ2 LYS 89 HZ2 LYS 89 17.873 -26.827 -15.584 696 HZ3 LYS 89 HZ3 LYS 89 16.437 -26.655 -16.453 697 H ILE 90 H ILE 90 17.806 -19.327 -19.849 698 HA ILE 90 HA ILE 90 17.350 -17.597 -21.202 699 HB ILE 90 HB ILE 90 16.527 -19.801 -23.149 700 HG12 ILE 90 HG12 ILE 90 18.901 -19.351 -24.113 701 HG13 ILE 90 HG13 ILE 90 19.241 -18.483 -22.626 702 HG21 ILE 90 HG21 ILE 90 17.287 -16.916 -23.753 703 HG22 ILE 90 HG22 ILE 90 15.684 -17.633 -23.950 704 HG23 ILE 90 HG23 ILE 90 17.023 -18.178 -24.960 705 HD11 ILE 90 HD11 ILE 90 20.149 -20.738 -22.612 706 HD12 ILE 90 HD12 ILE 90 18.535 -21.403 -22.852 707 HD13 ILE 90 HD13 ILE 90 18.921 -20.547 -21.359 708 H PHE 91 H PHE 91 15.617 -17.592 -19.377 709 HA PHE 91 HA PHE 91 12.868 -17.393 -20.260 710 HB2 PHE 91 HB2 PHE 91 13.383 -17.907 -17.894 711 HB3 PHE 91 HB3 PHE 91 14.200 -16.359 -17.714 712 HD1 PHE 91 HD1 PHE 91 10.873 -17.764 -18.757 713 HD2 PHE 91 HD2 PHE 91 12.936 -14.561 -16.802 714 HE1 PHE 91 HE1 PHE 91 8.722 -16.736 -18.157 715 HE2 PHE 91 HE2 PHE 91 10.774 -13.544 -16.203 716 HZ PHE 91 HZ PHE 91 8.670 -14.627 -16.883 717 H GLN 92 H GLN 92 12.001 -15.714 -21.248 718 HA GLN 92 HA GLN 92 11.626 -13.734 -22.233 719 HB2 GLN 92 HB2 GLN 92 11.896 -12.687 -20.017 720 HB3 GLN 92 HB3 GLN 92 13.643 -12.641 -20.231 721 HG2 GLN 92 HG2 GLN 92 13.231 -11.113 -22.239 722 HG3 GLN 92 HG3 GLN 92 11.554 -11.006 -21.706 723 HE21 GLN 92 HE21 GLN 92 13.608 -8.924 -21.936 724 HE22 GLN 92 HE22 GLN 92 13.740 -8.203 -20.371 725 H LYS 93 H LYS 93 12.274 -13.638 -24.279 726 HA LYS 93 HA LYS 93 15.151 -13.400 -24.985 727 HB2 LYS 93 HB2 LYS 93 14.603 -14.609 -27.080 728 HB3 LYS 93 HB3 LYS 93 14.228 -15.577 -25.658 729 HG2 LYS 93 HG2 LYS 93 11.829 -14.923 -25.872 730 HG3 LYS 93 HG3 LYS 93 12.225 -14.058 -27.359 731 HD2 LYS 93 HD2 LYS 93 12.972 -16.200 -28.387 732 HD3 LYS 93 HD3 LYS 93 12.543 -17.053 -26.899 733 HE2 LYS 93 HE2 LYS 93 10.181 -16.347 -27.207 734 HE3 LYS 93 HE3 LYS 93 10.629 -15.555 -28.720 735 HZ1 LYS 93 HZ1 LYS 93 10.836 -18.457 -28.130 736 HZ2 LYS 93 HZ2 LYS 93 11.338 -17.727 -29.571 737 HZ3 LYS 93 HZ3 LYS 93 9.704 -17.722 -29.140 738 H GLU 94 H GLU 94 12.551 -11.584 -24.576 739 HA GLU 94 HA GLU 94 11.845 -9.570 -25.215 740 HB2 GLU 94 HB2 GLU 94 13.978 -9.609 -27.361 741 HB3 GLU 94 HB3 GLU 94 12.972 -8.220 -26.977 742 HG2 GLU 94 HG2 GLU 94 13.955 -8.229 -24.667 743 HG3 GLU 94 HG3 GLU 94 15.029 -9.524 -25.182 744 H GLY 95 H GLY 95 12.139 -12.052 -27.692 745 HA2 GLY 95 HA2 GLY 95 10.617 -12.833 -29.198 746 HA3 GLY 95 HA3 GLY 95 9.430 -11.722 -28.522 747 H GLU 96 H GLU 96 9.284 -9.626 -29.375 748 HA GLU 96 HA GLU 96 9.930 -9.277 -32.157 749 HB2 GLU 96 HB2 GLU 96 7.820 -8.469 -31.155 750 HB3 GLU 96 HB3 GLU 96 8.715 -7.345 -30.139 751 HG2 GLU 96 HG2 GLU 96 9.473 -6.121 -32.135 752 HG3 GLU 96 HG3 GLU 96 8.629 -7.269 -33.176 753 H SER 97 H SER 97 11.220 -8.167 -29.087 754 HA SER 97 HA SER 97 13.090 -7.135 -28.418 755 HB2 SER 97 HB2 SER 97 14.090 -7.641 -31.253 756 HB3 SER 97 HB3 SER 97 15.101 -7.102 -29.912 757 HG SER 97 HG SER 97 13.723 -9.568 -30.172 758 H ILE 98 H ILE 98 14.616 -5.175 -28.930 759 HA ILE 98 HA ILE 98 12.828 -2.910 -29.136 760 HB ILE 98 HB ILE 98 15.872 -2.969 -28.790 761 HG12 ILE 98 HG12 ILE 98 13.703 -2.667 -26.667 762 HG13 ILE 98 HG13 ILE 98 14.580 -4.155 -26.975 763 HG21 ILE 98 HG21 ILE 98 15.097 -0.762 -29.607 764 HG22 ILE 98 HG22 ILE 98 15.663 -0.658 -27.940 765 HG23 ILE 98 HG23 ILE 98 13.933 -0.675 -28.281 766 HD11 ILE 98 HD11 ILE 98 15.446 -3.059 -25.027 767 HD12 ILE 98 HD12 ILE 98 15.756 -1.578 -25.936 768 HD13 ILE 98 HD13 ILE 98 16.667 -3.049 -26.297 769 H LEU 99 H LEU 99 12.088 -2.869 -31.235 770 HA LEU 99 HA LEU 99 11.896 -2.183 -33.363 771 HB2 LEU 99 HB2 LEU 99 14.503 -0.741 -32.734 772 HB3 LEU 99 HB3 LEU 99 13.691 -0.586 -34.279 773 HG LEU 99 HG LEU 99 11.700 0.401 -33.125 774 HD11 LEU 99 HD11 LEU 99 11.852 1.192 -30.806 775 HD12 LEU 99 HD12 LEU 99 13.395 0.354 -30.622 776 HD13 LEU 99 HD13 LEU 99 11.918 -0.569 -30.902 777 HD21 LEU 99 HD21 LEU 99 14.299 1.869 -32.603 778 HD22 LEU 99 HD22 LEU 99 12.690 2.592 -32.641 779 HD23 LEU 99 HD23 LEU 99 13.367 1.888 -34.104 780 H GLU 100 H GLU 100 12.004 -4.348 -34.110 781 HA GLU 100 HA GLU 100 14.482 -5.605 -34.849 782 HB2 GLU 100 HB2 GLU 100 12.460 -6.879 -34.080 783 HB3 GLU 100 HB3 GLU 100 11.656 -6.449 -35.582 784 HG2 GLU 100 HG2 GLU 100 13.416 -7.665 -36.851 785 HG3 GLU 100 HG3 GLU 100 14.171 -8.142 -35.334 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -13.187 -15.858 10.601 2 H2 GLY 1 H2 GLY 1 -12.015 -14.991 11.449 3 H3 GLY 1 H3 GLY 1 -11.654 -15.634 9.929 4 HA2 GLY 1 HA2 GLY 1 -13.289 -14.174 8.903 5 HA3 GLY 1 HA3 GLY 1 -13.632 -13.502 10.489 6 H GLY 2 H GLY 2 -11.485 -13.525 7.779 7 HA2 GLY 2 HA2 GLY 2 -10.463 -11.018 7.967 8 HA3 GLY 2 HA3 GLY 2 -9.370 -11.953 8.986 9 H SER 3 H SER 3 -11.014 -12.833 5.952 10 HA SER 3 HA SER 3 -8.673 -13.952 4.764 11 HB2 SER 3 HB2 SER 3 -11.388 -13.229 3.571 12 HB3 SER 3 HB3 SER 3 -10.124 -14.108 2.700 13 HG SER 3 HG SER 3 -10.234 -15.728 4.272 14 HA PRO 4 HA PRO 4 -6.549 -10.308 3.564 15 HB2 PRO 4 HB2 PRO 4 -5.685 -11.793 1.081 16 HB3 PRO 4 HB3 PRO 4 -4.702 -10.973 2.321 17 HG2 PRO 4 HG2 PRO 4 -4.837 -13.611 2.342 18 HG3 PRO 4 HG3 PRO 4 -4.938 -12.705 3.871 19 HD2 PRO 4 HD2 PRO 4 -7.183 -13.965 2.288 20 HD3 PRO 4 HD3 PRO 4 -6.885 -13.985 4.044 21 H ASP 5 H ASP 5 -8.512 -11.763 0.988 22 HA ASP 5 HA ASP 5 -8.604 -9.478 -0.732 23 HB2 ASP 5 HB2 ASP 5 -10.587 -11.785 -0.533 24 HB3 ASP 5 HB3 ASP 5 -10.455 -10.653 -1.879 25 H GLU 6 H GLU 6 -10.655 -10.649 1.899 26 HA GLU 6 HA GLU 6 -12.702 -8.650 1.602 27 HB2 GLU 6 HB2 GLU 6 -12.102 -10.340 4.069 28 HB3 GLU 6 HB3 GLU 6 -13.624 -9.532 3.677 29 HG2 GLU 6 HG2 GLU 6 -12.380 -11.921 2.280 30 HG3 GLU 6 HG3 GLU 6 -13.856 -11.902 3.237 31 H ASN 7 H ASN 7 -9.666 -8.929 3.297 32 HA ASN 7 HA ASN 7 -9.895 -6.571 4.904 33 HB2 ASN 7 HB2 ASN 7 -7.369 -7.987 3.936 34 HB3 ASN 7 HB3 ASN 7 -7.459 -6.809 5.245 35 HD21 ASN 7 HD21 ASN 7 -6.492 -9.544 5.347 36 HD22 ASN 7 HD22 ASN 7 -7.458 -10.375 6.507 37 H ILE 8 H ILE 8 -8.579 -7.306 1.672 38 HA ILE 8 HA ILE 8 -7.570 -4.801 0.911 39 HB ILE 8 HB ILE 8 -8.786 -7.076 -0.718 40 HG12 ILE 8 HG12 ILE 8 -5.901 -6.113 -0.495 41 HG13 ILE 8 HG13 ILE 8 -6.579 -7.452 0.414 42 HG21 ILE 8 HG21 ILE 8 -9.197 -5.052 -2.046 43 HG22 ILE 8 HG22 ILE 8 -7.939 -6.026 -2.805 44 HG23 ILE 8 HG23 ILE 8 -7.503 -4.581 -1.890 45 HD11 ILE 8 HD11 ILE 8 -5.275 -8.274 -1.416 46 HD12 ILE 8 HD12 ILE 8 -6.206 -7.318 -2.569 47 HD13 ILE 8 HD13 ILE 8 -6.974 -8.651 -1.702 48 H ALA 9 H ALA 9 -10.819 -6.200 0.541 49 HA ALA 9 HA ALA 9 -12.122 -4.068 -0.719 50 HB1 ALA 9 HB1 ALA 9 -14.205 -5.148 0.038 51 HB2 ALA 9 HB2 ALA 9 -13.287 -6.140 1.176 52 HB3 ALA 9 HB3 ALA 9 -13.052 -6.343 -0.562 53 H LYS 10 H LYS 10 -11.551 -4.736 2.709 54 HA LYS 10 HA LYS 10 -13.065 -2.630 3.857 55 HB2 LYS 10 HB2 LYS 10 -12.353 -4.555 5.175 56 HB3 LYS 10 HB3 LYS 10 -10.661 -4.194 4.869 57 HG2 LYS 10 HG2 LYS 10 -10.896 -2.099 6.202 58 HG3 LYS 10 HG3 LYS 10 -12.571 -2.538 6.546 59 HD2 LYS 10 HD2 LYS 10 -11.070 -3.125 8.423 60 HD3 LYS 10 HD3 LYS 10 -11.845 -4.553 7.734 61 HE2 LYS 10 HE2 LYS 10 -9.788 -5.152 6.557 62 HE3 LYS 10 HE3 LYS 10 -9.013 -3.652 7.070 63 HZ1 LYS 10 HZ1 LYS 10 -9.891 -5.861 8.849 64 HZ2 LYS 10 HZ2 LYS 10 -9.188 -4.415 9.368 65 HZ3 LYS 10 HZ3 LYS 10 -8.296 -5.494 8.425 66 H PHE 11 H PHE 11 -9.654 -2.865 2.832 67 HA PHE 11 HA PHE 11 -8.912 -0.230 3.701 68 HB2 PHE 11 HB2 PHE 11 -7.490 -2.072 1.734 69 HB3 PHE 11 HB3 PHE 11 -6.802 -0.612 2.443 70 HD1 PHE 11 HD2 PHE 11 -7.591 -0.850 5.304 71 HD2 PHE 11 HD1 PHE 11 -6.171 -3.860 2.597 72 HE1 PHE 11 HE2 PHE 11 -6.752 -2.177 7.202 73 HE2 PHE 11 HE1 PHE 11 -5.340 -5.172 4.511 74 HZ PHE 11 HZ PHE 11 -5.631 -4.336 6.808 75 H GLU 12 H GLU 12 -10.319 -1.567 0.812 76 HA GLU 12 HA GLU 12 -9.881 0.619 -0.965 77 HB2 GLU 12 HB2 GLU 12 -11.723 -1.778 -0.960 78 HB3 GLU 12 HB3 GLU 12 -11.954 -0.516 -2.164 79 HG2 GLU 12 HG2 GLU 12 -9.298 -1.929 -1.776 80 HG3 GLU 12 HG3 GLU 12 -10.555 -2.547 -2.850 81 H LYS 13 H LYS 13 -12.329 -0.085 1.462 82 HA LYS 13 HA LYS 13 -14.161 2.004 0.815 83 HB2 LYS 13 HB2 LYS 13 -13.581 0.741 3.528 84 HB3 LYS 13 HB3 LYS 13 -15.016 1.683 3.116 85 HG2 LYS 13 HG2 LYS 13 -15.780 -0.018 1.587 86 HG3 LYS 13 HG3 LYS 13 -14.258 -0.906 1.741 87 HD2 LYS 13 HD2 LYS 13 -14.786 -1.208 4.196 88 HD3 LYS 13 HD3 LYS 13 -16.380 -0.512 3.882 89 HE2 LYS 13 HE2 LYS 13 -16.910 -2.343 2.362 90 HE3 LYS 13 HE3 LYS 13 -15.277 -2.996 2.525 91 HZ1 LYS 13 HZ1 LYS 13 -17.293 -2.792 4.697 92 HZ2 LYS 13 HZ2 LYS 13 -15.725 -3.387 4.875 93 HZ3 LYS 13 HZ3 LYS 13 -16.832 -4.203 3.894 94 H ALA 14 H ALA 14 -11.481 1.724 3.118 95 HA ALA 14 HA ALA 14 -11.462 4.396 4.042 96 HB1 ALA 14 HB1 ALA 14 -9.255 3.825 4.986 97 HB2 ALA 14 HB2 ALA 14 -9.231 2.338 4.035 98 HB3 ALA 14 HB3 ALA 14 -10.442 2.556 5.303 99 H TYR 15 H TYR 15 -10.094 2.852 1.214 100 HA TYR 15 HA TYR 15 -8.168 4.828 0.482 101 HB2 TYR 15 HB2 TYR 15 -8.086 2.494 -0.385 102 HB3 TYR 15 HB3 TYR 15 -9.597 2.748 -1.246 103 HD1 TYR 15 HD2 TYR 15 -6.209 4.347 -0.963 104 HD2 TYR 15 HD1 TYR 15 -9.399 3.231 -3.575 105 HE1 TYR 15 HE2 TYR 15 -4.919 5.154 -2.866 106 HE2 TYR 15 HE1 TYR 15 -8.089 4.051 -5.492 107 HH TYR 15 HH TYR 15 -6.190 5.733 -5.854 108 H LYS 16 H LYS 16 -11.441 4.077 -0.711 109 HA LYS 16 HA LYS 16 -11.464 6.298 -2.550 110 HB2 LYS 16 HB2 LYS 16 -13.559 4.230 -1.809 111 HB3 LYS 16 HB3 LYS 16 -13.826 5.486 -3.025 112 HG2 LYS 16 HG2 LYS 16 -12.022 4.633 -4.395 113 HG3 LYS 16 HG3 LYS 16 -11.559 3.471 -3.145 114 HD2 LYS 16 HD2 LYS 16 -13.692 2.291 -3.430 115 HD3 LYS 16 HD3 LYS 16 -14.204 3.470 -4.646 116 HE2 LYS 16 HE2 LYS 16 -13.301 1.302 -5.590 117 HE3 LYS 16 HE3 LYS 16 -12.478 2.751 -6.172 118 HZ1 LYS 16 HZ1 LYS 16 -11.489 1.030 -3.964 119 HZ2 LYS 16 HZ2 LYS 16 -10.682 2.340 -4.663 120 HZ3 LYS 16 HZ3 LYS 16 -10.953 0.937 -5.562 121 H LYS 17 H LYS 17 -12.703 5.729 0.697 122 HA LYS 17 HA LYS 17 -14.301 8.096 0.809 123 HB2 LYS 17 HB2 LYS 17 -14.597 6.274 2.474 124 HB3 LYS 17 HB3 LYS 17 -12.991 6.582 3.116 125 HG2 LYS 17 HG2 LYS 17 -14.761 7.548 4.554 126 HG3 LYS 17 HG3 LYS 17 -13.693 8.802 3.905 127 HD2 LYS 17 HD2 LYS 17 -15.408 9.274 2.125 128 HD3 LYS 17 HD3 LYS 17 -16.476 8.086 2.875 129 HE2 LYS 17 HE2 LYS 17 -16.612 9.450 4.899 130 HE3 LYS 17 HE3 LYS 17 -15.446 10.599 4.234 131 HZ1 LYS 17 HZ1 LYS 17 -17.687 11.408 3.979 132 HZ2 LYS 17 HZ2 LYS 17 -18.141 10.020 3.128 133 HZ3 LYS 17 HZ3 LYS 17 -17.021 11.089 2.458 134 H ALA 18 H ALA 18 -10.909 7.340 1.587 135 HA ALA 18 HA ALA 18 -10.171 9.952 2.464 136 HB1 ALA 18 HB1 ALA 18 -7.856 9.164 2.205 137 HB2 ALA 18 HB2 ALA 18 -8.432 7.734 1.339 138 HB3 ALA 18 HB3 ALA 18 -8.850 7.966 3.038 139 H GLU 19 H GLU 19 -10.330 8.395 -0.701 140 HA GLU 19 HA GLU 19 -9.026 10.344 -2.283 141 HB2 GLU 19 HB2 GLU 19 -9.606 8.078 -3.117 142 HB3 GLU 19 HB3 GLU 19 -11.319 8.465 -2.996 143 HG2 GLU 19 HG2 GLU 19 -10.842 10.354 -4.686 144 HG3 GLU 19 HG3 GLU 19 -9.280 9.576 -4.942 145 H GLU 20 H GLU 20 -12.398 9.833 -1.406 146 HA GLU 20 HA GLU 20 -13.622 12.005 -2.642 147 HB2 GLU 20 HB2 GLU 20 -14.621 9.876 -1.664 148 HB3 GLU 20 HB3 GLU 20 -14.433 10.580 -0.065 149 HG2 GLU 20 HG2 GLU 20 -16.083 11.856 -2.250 150 HG3 GLU 20 HG3 GLU 20 -16.738 10.658 -1.145 151 H LEU 21 H LEU 21 -12.116 11.655 0.543 152 HA LEU 21 HA LEU 21 -12.753 14.348 1.417 153 HB2 LEU 21 HB2 LEU 21 -11.017 12.182 2.640 154 HB3 LEU 21 HB3 LEU 21 -11.333 13.731 3.408 155 HG LEU 21 HG LEU 21 -13.422 11.601 2.793 156 HD11 LEU 21 HD11 LEU 21 -11.934 10.898 4.593 157 HD12 LEU 21 HD12 LEU 21 -13.533 11.279 5.229 158 HD13 LEU 21 HD13 LEU 21 -12.199 12.421 5.450 159 HD21 LEU 21 HD21 LEU 21 -13.741 14.252 4.249 160 HD22 LEU 21 HD22 LEU 21 -14.968 12.990 4.115 161 HD23 LEU 21 HD23 LEU 21 -14.418 13.831 2.670 162 H ASN 22 H ASN 22 -10.375 13.024 -0.592 163 HA ASN 22 HA ASN 22 -8.453 13.732 -1.543 164 HB2 ASN 22 HB2 ASN 22 -9.348 16.414 -0.424 165 HB3 ASN 22 HB3 ASN 22 -7.935 16.233 -1.461 166 HD21 ASN 22 HD21 ASN 22 -11.442 15.885 -1.326 167 HD22 ASN 22 HD22 ASN 22 -11.696 15.963 -3.034 168 H GLN 23 H GLN 23 -8.556 12.739 1.187 169 HA GLN 23 HA GLN 23 -6.156 13.655 2.537 170 HB2 GLN 23 HB2 GLN 23 -7.905 11.189 2.988 171 HB3 GLN 23 HB3 GLN 23 -6.653 11.763 4.078 172 HG2 GLN 23 HG2 GLN 23 -9.063 13.458 3.405 173 HG3 GLN 23 HG3 GLN 23 -9.115 12.233 4.667 174 HE21 GLN 23 HE21 GLN 23 -9.572 13.824 6.192 175 HE22 GLN 23 HE22 GLN 23 -8.364 14.900 6.790 176 H GLY 24 H GLY 24 -4.472 13.310 1.032 177 HA2 GLY 24 HA2 GLY 24 -4.191 11.110 -0.703 178 HA3 GLY 24 HA3 GLY 24 -2.919 12.221 -0.235 179 H GLU 25 H GLU 25 -2.499 11.821 2.343 180 HA GLU 25 HA GLU 25 -0.835 9.623 2.537 181 HB2 GLU 25 HB2 GLU 25 -0.929 10.105 5.071 182 HB3 GLU 25 HB3 GLU 25 -0.468 11.446 4.025 183 HG2 GLU 25 HG2 GLU 25 -2.711 12.385 4.163 184 HG3 GLU 25 HG3 GLU 25 -3.259 11.011 5.119 185 H LEU 26 H LEU 26 -4.228 9.873 3.622 186 HA LEU 26 HA LEU 26 -4.337 7.320 4.887 187 HB2 LEU 26 HB2 LEU 26 -6.469 9.246 3.997 188 HB3 LEU 26 HB3 LEU 26 -6.868 7.671 4.660 189 HG LEU 26 HG LEU 26 -5.158 8.539 6.600 190 HD11 LEU 26 HD11 LEU 26 -5.512 10.845 7.185 191 HD12 LEU 26 HD12 LEU 26 -6.502 11.094 5.746 192 HD13 LEU 26 HD13 LEU 26 -4.786 10.731 5.583 193 HD21 LEU 26 HD21 LEU 26 -7.121 9.106 7.955 194 HD22 LEU 26 HD22 LEU 26 -7.316 7.621 7.027 195 HD23 LEU 26 HD23 LEU 26 -8.116 9.106 6.492 196 H MET 27 H MET 27 -4.972 8.400 1.582 197 HA MET 27 HA MET 27 -5.965 5.930 0.554 198 HB2 MET 27 HB2 MET 27 -4.532 8.230 -0.827 199 HB3 MET 27 HB3 MET 27 -5.133 6.826 -1.696 200 HG2 MET 27 HG2 MET 27 -7.422 7.396 -0.747 201 HG3 MET 27 HG3 MET 27 -6.722 8.946 -0.273 202 HE1 MET 27 HE1 MET 27 -5.565 10.612 -2.104 203 HE2 MET 27 HE2 MET 27 -5.567 10.271 -3.838 204 HE3 MET 27 HE3 MET 27 -4.617 9.263 -2.744 205 H GLY 28 H GLY 28 -2.711 7.293 0.887 206 HA2 GLY 28 HA2 GLY 28 -1.212 5.349 -0.473 207 HA3 GLY 28 HA3 GLY 28 -0.613 6.401 0.800 208 H ARG 29 H ARG 29 -2.311 5.527 2.903 209 HA ARG 29 HA ARG 29 -0.950 3.323 4.003 210 HB2 ARG 29 HB2 ARG 29 -3.799 4.163 4.701 211 HB3 ARG 29 HB3 ARG 29 -2.704 3.224 5.713 212 HG2 ARG 29 HG2 ARG 29 -1.299 5.171 6.063 213 HG3 ARG 29 HG3 ARG 29 -2.277 6.115 4.934 214 HD2 ARG 29 HD2 ARG 29 -3.018 5.124 7.691 215 HD3 ARG 29 HD3 ARG 29 -3.113 6.759 7.044 216 HE ARG 29 HE ARG 29 -4.865 5.294 5.509 217 HH11 ARG 29 HH11 ARG 29 -4.619 5.984 8.952 218 HH12 ARG 29 HH12 ARG 29 -6.327 5.823 9.212 219 HH21 ARG 29 HH21 ARG 29 -7.060 5.047 5.870 220 HH22 ARG 29 HH22 ARG 29 -7.717 5.292 7.458 221 H ALA 30 H ALA 30 -4.106 3.589 2.413 222 HA ALA 30 HA ALA 30 -5.067 0.987 2.733 223 HB1 ALA 30 HB1 ALA 30 -6.640 1.551 0.930 224 HB2 ALA 30 HB2 ALA 30 -5.654 2.951 0.490 225 HB3 ALA 30 HB3 ALA 30 -6.463 2.899 2.058 226 H LEU 31 H LEU 31 -3.239 2.433 0.020 227 HA LEU 31 HA LEU 31 -3.123 0.156 -1.648 228 HB2 LEU 31 HB2 LEU 31 -1.195 2.500 -1.410 229 HB3 LEU 31 HB3 LEU 31 -1.199 1.341 -2.737 230 HG LEU 31 HG LEU 31 -3.575 3.126 -2.069 231 HD11 LEU 31 HD11 LEU 31 -1.460 3.575 -4.188 232 HD12 LEU 31 HD12 LEU 31 -1.668 4.520 -2.712 233 HD13 LEU 31 HD13 LEU 31 -2.924 4.535 -3.948 234 HD21 LEU 31 HD21 LEU 31 -4.358 2.500 -4.326 235 HD22 LEU 31 HD22 LEU 31 -4.183 1.086 -3.290 236 HD23 LEU 31 HD23 LEU 31 -2.964 1.432 -4.522 237 H TYR 32 H TYR 32 -0.918 1.354 0.857 238 HA TYR 32 HA TYR 32 1.166 -0.520 0.630 239 HB2 TYR 32 HB2 TYR 32 1.447 1.552 1.898 240 HB3 TYR 32 HB3 TYR 32 0.166 1.102 3.013 241 HD1 TYR 32 HD2 TYR 32 3.428 -0.323 1.771 242 HD2 TYR 32 HD1 TYR 32 0.882 0.357 5.136 243 HE1 TYR 32 HE2 TYR 32 5.116 -1.315 3.254 244 HE2 TYR 32 HE1 TYR 32 2.574 -0.634 6.613 245 HH TYR 32 HH TYR 32 5.772 -1.357 5.545 246 H ASN 33 H ASN 33 -1.839 -0.556 2.502 247 HA ASN 33 HA ASN 33 -1.237 -2.914 4.024 248 HB2 ASN 33 HB2 ASN 33 -3.736 -1.222 3.681 249 HB3 ASN 33 HB3 ASN 33 -3.724 -2.679 4.667 250 HD21 ASN 33 HD21 ASN 33 -0.902 -0.524 4.550 251 HD22 ASN 33 HD22 ASN 33 -1.097 0.072 6.155 252 H ILE 34 H ILE 34 -3.251 -2.215 1.176 253 HA ILE 34 HA ILE 34 -4.263 -4.816 0.695 254 HB ILE 34 HB ILE 34 -3.718 -2.505 -1.222 255 HG12 ILE 34 HG12 ILE 34 -6.364 -3.526 -0.097 256 HG13 ILE 34 HG13 ILE 34 -5.475 -2.154 0.551 257 HG21 ILE 34 HG21 ILE 34 -5.227 -5.069 -1.848 258 HG22 ILE 34 HG22 ILE 34 -3.688 -4.572 -2.550 259 HG23 ILE 34 HG23 ILE 34 -5.150 -3.651 -2.897 260 HD11 ILE 34 HD11 ILE 34 -6.686 -2.343 -2.204 261 HD12 ILE 34 HD12 ILE 34 -5.762 -0.974 -1.577 262 HD13 ILE 34 HD13 ILE 34 -7.302 -1.413 -0.834 263 H GLY 35 H GLY 35 -1.260 -3.176 -0.176 264 HA2 GLY 35 HA2 GLY 35 -0.010 -5.118 -1.763 265 HA3 GLY 35 HA3 GLY 35 0.803 -3.933 -0.755 266 H LEU 36 H LEU 36 -0.085 -4.680 1.771 267 HA LEU 36 HA LEU 36 1.621 -6.836 2.455 268 HB2 LEU 36 HB2 LEU 36 -0.573 -5.497 4.086 269 HB3 LEU 36 HB3 LEU 36 0.624 -6.606 4.746 270 HG LEU 36 HG LEU 36 1.281 -3.912 3.476 271 HD11 LEU 36 HD11 LEU 36 1.182 -4.642 6.414 272 HD12 LEU 36 HD12 LEU 36 0.044 -3.597 5.557 273 HD13 LEU 36 HD13 LEU 36 1.724 -3.101 5.738 274 HD21 LEU 36 HD21 LEU 36 3.536 -4.238 4.416 275 HD22 LEU 36 HD22 LEU 36 3.135 -5.509 3.264 276 HD23 LEU 36 HD23 LEU 36 3.075 -5.841 4.999 277 H GLU 37 H GLU 37 -1.856 -6.644 1.821 278 HA GLU 37 HA GLU 37 -2.552 -9.256 2.717 279 HB2 GLU 37 HB2 GLU 37 -3.967 -7.575 0.609 280 HB3 GLU 37 HB3 GLU 37 -4.640 -8.970 1.448 281 HG2 GLU 37 HG2 GLU 37 -4.071 -6.209 2.521 282 HG3 GLU 37 HG3 GLU 37 -5.603 -7.082 2.487 283 H LYS 38 H LYS 38 -1.614 -7.947 -0.445 284 HA LYS 38 HA LYS 38 -1.755 -10.363 -1.932 285 HB2 LYS 38 HB2 LYS 38 -0.063 -7.853 -2.311 286 HB3 LYS 38 HB3 LYS 38 -0.182 -9.139 -3.507 287 HG2 LYS 38 HG2 LYS 38 -2.511 -7.469 -2.519 288 HG3 LYS 38 HG3 LYS 38 -1.607 -7.168 -4.009 289 HD2 LYS 38 HD2 LYS 38 -2.300 -9.407 -4.858 290 HD3 LYS 38 HD3 LYS 38 -3.228 -9.675 -3.378 291 HE2 LYS 38 HE2 LYS 38 -4.705 -7.821 -3.927 292 HE3 LYS 38 HE3 LYS 38 -3.723 -7.411 -5.337 293 HZ1 LYS 38 HZ1 LYS 38 -5.656 -8.647 -5.995 294 HZ2 LYS 38 HZ2 LYS 38 -5.267 -9.905 -4.940 295 HZ3 LYS 38 HZ3 LYS 38 -4.273 -9.586 -6.269 296 H ASN 39 H ASN 39 0.719 -8.860 0.042 297 HA ASN 39 HA ASN 39 2.992 -10.350 -0.740 298 HB2 ASN 39 HB2 ASN 39 2.908 -8.068 0.421 299 HB3 ASN 39 HB3 ASN 39 2.555 -8.911 1.920 300 HD21 ASN 39 HD21 ASN 39 4.783 -7.169 1.225 301 HD22 ASN 39 HD22 ASN 39 6.220 -8.087 1.511 302 H LYS 40 H LYS 40 0.638 -10.775 1.900 303 HA LYS 40 HA LYS 40 1.992 -13.015 3.111 304 HB2 LYS 40 HB2 LYS 40 0.096 -13.157 4.617 305 HB3 LYS 40 HB3 LYS 40 0.518 -11.464 4.401 306 HG2 LYS 40 HG2 LYS 40 -1.370 -11.284 2.739 307 HG3 LYS 40 HG3 LYS 40 -1.833 -12.932 3.160 308 HD2 LYS 40 HD2 LYS 40 -3.235 -11.345 4.373 309 HD3 LYS 40 HD3 LYS 40 -2.201 -12.203 5.517 310 HE2 LYS 40 HE2 LYS 40 -0.724 -10.267 5.692 311 HE3 LYS 40 HE3 LYS 40 -1.608 -9.427 4.419 312 HZ1 LYS 40 HZ1 LYS 40 -3.555 -9.409 5.870 313 HZ2 LYS 40 HZ2 LYS 40 -2.246 -8.604 6.564 314 HZ3 LYS 40 HZ3 LYS 40 -2.662 -10.153 7.097 315 H MET 41 H MET 41 -0.227 -12.692 0.463 316 HA MET 41 HA MET 41 -1.169 -15.468 0.558 317 HB2 MET 41 HB2 MET 41 -1.743 -13.168 -1.351 318 HB3 MET 41 HB3 MET 41 -2.391 -14.787 -1.584 319 HG2 MET 41 HG2 MET 41 -3.464 -14.585 0.678 320 HG3 MET 41 HG3 MET 41 -2.975 -12.893 0.695 321 HE1 MET 41 HE1 MET 41 -5.062 -11.463 -2.333 322 HE2 MET 41 HE2 MET 41 -3.477 -12.199 -2.561 323 HE3 MET 41 HE3 MET 41 -3.769 -11.139 -1.175 324 H GLY 42 H GLY 42 1.661 -14.092 -0.449 325 HA2 GLY 42 HA2 GLY 42 3.371 -14.911 -1.762 326 HA3 GLY 42 HA3 GLY 42 2.332 -16.222 -2.291 327 H LYS 43 H LYS 43 0.648 -13.395 -2.729 328 HA LYS 43 HA LYS 43 1.251 -13.214 -5.601 329 HB2 LYS 43 HB2 LYS 43 -0.934 -11.910 -3.899 330 HB3 LYS 43 HB3 LYS 43 -0.823 -11.842 -5.661 331 HG2 LYS 43 HG2 LYS 43 -1.101 -14.314 -5.741 332 HG3 LYS 43 HG3 LYS 43 -1.295 -14.328 -3.982 333 HD2 LYS 43 HD2 LYS 43 -3.317 -12.926 -4.186 334 HD3 LYS 43 HD3 LYS 43 -3.100 -12.838 -5.935 335 HE2 LYS 43 HE2 LYS 43 -3.377 -15.332 -6.010 336 HE3 LYS 43 HE3 LYS 43 -3.763 -15.303 -4.297 337 HZ1 LYS 43 HZ1 LYS 43 -5.277 -13.910 -6.437 338 HZ2 LYS 43 HZ2 LYS 43 -5.650 -13.891 -4.791 339 HZ3 LYS 43 HZ3 LYS 43 -5.748 -15.336 -5.661 340 H VAL 44 H VAL 44 3.332 -12.457 -4.306 341 HA VAL 44 HA VAL 44 3.448 -9.823 -3.214 342 HB VAL 44 HB VAL 44 5.769 -11.570 -4.142 343 HG11 VAL 44 HG11 VAL 44 5.649 -9.371 -2.050 344 HG12 VAL 44 HG12 VAL 44 6.436 -9.270 -3.629 345 HG13 VAL 44 HG13 VAL 44 7.060 -10.376 -2.401 346 HG21 VAL 44 HG21 VAL 44 4.307 -12.871 -2.629 347 HG22 VAL 44 HG22 VAL 44 4.405 -11.589 -1.419 348 HG23 VAL 44 HG23 VAL 44 5.851 -12.502 -1.858 349 H LYS 45 H LYS 45 3.619 -11.147 -6.308 350 HA LYS 45 HA LYS 45 5.214 -9.341 -7.762 351 HB2 LYS 45 HB2 LYS 45 2.894 -11.079 -8.755 352 HB3 LYS 45 HB3 LYS 45 4.119 -10.326 -9.765 353 HG2 LYS 45 HG2 LYS 45 4.808 -12.580 -9.617 354 HG3 LYS 45 HG3 LYS 45 5.850 -11.735 -8.476 355 HD2 LYS 45 HD2 LYS 45 4.383 -12.504 -6.602 356 HD3 LYS 45 HD3 LYS 45 3.378 -13.379 -7.758 357 HE2 LYS 45 HE2 LYS 45 4.916 -14.903 -6.614 358 HE3 LYS 45 HE3 LYS 45 5.305 -14.818 -8.329 359 HZ1 LYS 45 HZ1 LYS 45 7.287 -14.774 -6.956 360 HZ2 LYS 45 HZ2 LYS 45 6.750 -13.376 -6.165 361 HZ3 LYS 45 HZ3 LYS 45 7.131 -13.325 -7.814 362 H GLU 46 H GLU 46 1.758 -9.428 -6.945 363 HA GLU 46 HA GLU 46 1.038 -6.945 -8.240 364 HB2 GLU 46 HB2 GLU 46 -0.444 -8.529 -6.086 365 HB3 GLU 46 HB3 GLU 46 -1.126 -7.207 -7.039 366 HG2 GLU 46 HG2 GLU 46 -0.960 -8.526 -9.074 367 HG3 GLU 46 HG3 GLU 46 -0.125 -9.820 -8.212 368 H ALA 47 H ALA 47 1.954 -8.023 -5.008 369 HA ALA 47 HA ALA 47 1.257 -5.864 -3.413 370 HB1 ALA 47 HB1 ALA 47 2.884 -6.718 -1.791 371 HB2 ALA 47 HB2 ALA 47 3.648 -7.698 -3.047 372 HB3 ALA 47 HB3 ALA 47 1.995 -8.047 -2.539 373 H ILE 48 H ILE 48 4.233 -6.388 -5.269 374 HA ILE 48 HA ILE 48 5.848 -4.276 -4.458 375 HB ILE 48 HB ILE 48 5.533 -5.614 -7.186 376 HG12 ILE 48 HG12 ILE 48 7.648 -5.936 -5.002 377 HG13 ILE 48 HG13 ILE 48 6.352 -7.075 -5.354 378 HG21 ILE 48 HG21 ILE 48 7.695 -4.624 -7.878 379 HG22 ILE 48 HG22 ILE 48 7.744 -3.681 -6.389 380 HG23 ILE 48 HG23 ILE 48 6.485 -3.375 -7.584 381 HD11 ILE 48 HD11 ILE 48 8.650 -6.372 -7.167 382 HD12 ILE 48 HD12 ILE 48 7.333 -7.479 -7.564 383 HD13 ILE 48 HD13 ILE 48 8.440 -7.858 -6.246 384 H GLU 49 H GLU 49 3.445 -4.332 -7.104 385 HA GLU 49 HA GLU 49 3.742 -1.664 -7.952 386 HB2 GLU 49 HB2 GLU 49 1.346 -3.525 -8.199 387 HB3 GLU 49 HB3 GLU 49 1.546 -2.013 -9.090 388 HG2 GLU 49 HG2 GLU 49 3.522 -2.903 -10.225 389 HG3 GLU 49 HG3 GLU 49 3.413 -4.399 -9.287 390 H TYR 50 H TYR 50 1.658 -3.126 -5.496 391 HA TYR 50 HA TYR 50 0.089 -0.822 -4.926 392 HB2 TYR 50 HB2 TYR 50 0.621 -3.414 -3.469 393 HB3 TYR 50 HB3 TYR 50 -0.273 -2.126 -2.678 394 HD1 TYR 50 HD2 TYR 50 -2.290 -1.115 -4.034 395 HD2 TYR 50 HD1 TYR 50 -0.609 -4.980 -4.790 396 HE1 TYR 50 HE2 TYR 50 -4.377 -1.808 -5.126 397 HE2 TYR 50 HE1 TYR 50 -2.699 -5.672 -5.891 398 HH TYR 50 HH TYR 50 -5.014 -5.091 -6.008 399 H PHE 51 H PHE 51 3.129 -2.071 -3.558 400 HA PHE 51 HA PHE 51 3.374 -0.067 -1.515 401 HB2 PHE 51 HB2 PHE 51 5.538 -1.798 -2.775 402 HB3 PHE 51 HB3 PHE 51 5.739 -0.827 -1.323 403 HD1 PHE 51 HD1 PHE 51 3.135 -1.546 0.094 404 HD2 PHE 51 HD2 PHE 51 6.021 -3.951 -1.968 405 HE1 PHE 51 HE1 PHE 51 2.542 -3.482 1.491 406 HE2 PHE 51 HE2 PHE 51 5.405 -5.880 -0.571 407 HZ PHE 51 HZ PHE 51 3.670 -5.644 1.160 408 H LEU 52 H LEU 52 4.216 -0.298 -4.899 409 HA LEU 52 HA LEU 52 6.083 1.872 -5.049 410 HB2 LEU 52 HB2 LEU 52 4.400 0.466 -7.152 411 HB3 LEU 52 HB3 LEU 52 5.480 1.789 -7.561 412 HG LEU 52 HG LEU 52 6.379 -0.845 -6.322 413 HD11 LEU 52 HD11 LEU 52 6.608 0.082 -9.199 414 HD12 LEU 52 HD12 LEU 52 5.534 -1.186 -8.598 415 HD13 LEU 52 HD13 LEU 52 7.281 -1.405 -8.522 416 HD21 LEU 52 HD21 LEU 52 8.652 -0.094 -6.875 417 HD22 LEU 52 HD22 LEU 52 7.872 1.022 -5.757 418 HD23 LEU 52 HD23 LEU 52 8.014 1.445 -7.467 419 H ARG 53 H ARG 53 2.609 1.535 -5.712 420 HA ARG 53 HA ARG 53 2.045 4.230 -6.355 421 HB2 ARG 53 HB2 ARG 53 0.240 2.061 -5.199 422 HB3 ARG 53 HB3 ARG 53 -0.335 3.629 -5.759 423 HG2 ARG 53 HG2 ARG 53 0.527 3.086 -8.040 424 HG3 ARG 53 HG3 ARG 53 0.963 1.475 -7.459 425 HD2 ARG 53 HD2 ARG 53 -1.208 1.455 -8.635 426 HD3 ARG 53 HD3 ARG 53 -1.400 1.016 -6.931 427 HE ARG 53 HE ARG 53 -1.770 3.818 -7.307 428 HH11 ARG 53 HH11 ARG 53 -3.480 0.774 -7.768 429 HH12 ARG 53 HH12 ARG 53 -5.041 1.511 -7.647 430 HH21 ARG 53 HH21 ARG 53 -3.802 4.737 -7.118 431 HH22 ARG 53 HH22 ARG 53 -5.223 3.759 -7.277 432 H ALA 54 H ALA 54 1.813 2.377 -3.322 433 HA ALA 54 HA ALA 54 0.752 4.296 -1.613 434 HB1 ALA 54 HB1 ALA 54 1.654 2.925 0.219 435 HB2 ALA 54 HB2 ALA 54 2.706 2.074 -0.919 436 HB3 ALA 54 HB3 ALA 54 0.953 1.908 -1.042 437 H LYS 55 H LYS 55 4.169 3.520 -2.259 438 HA LYS 55 HA LYS 55 5.324 5.362 -0.463 439 HB2 LYS 55 HB2 LYS 55 6.518 3.381 -1.430 440 HB3 LYS 55 HB3 LYS 55 6.550 4.186 -2.996 441 HG2 LYS 55 HG2 LYS 55 7.898 6.032 -1.957 442 HG3 LYS 55 HG3 LYS 55 7.929 5.106 -0.451 443 HD2 LYS 55 HD2 LYS 55 9.097 3.259 -1.644 444 HD3 LYS 55 HD3 LYS 55 9.096 4.231 -3.122 445 HE2 LYS 55 HE2 LYS 55 10.482 4.943 -0.512 446 HE3 LYS 55 HE3 LYS 55 11.272 4.359 -1.977 447 HZ1 LYS 55 HZ1 LYS 55 10.554 6.356 -3.119 448 HZ2 LYS 55 HZ2 LYS 55 11.455 6.744 -1.744 449 HZ3 LYS 55 HZ3 LYS 55 9.775 6.909 -1.723 450 H LYS 56 H LYS 56 4.378 5.589 -3.872 451 HA LYS 56 HA LYS 56 5.563 8.093 -4.472 452 HB2 LYS 56 HB2 LYS 56 4.757 6.481 -6.205 453 HB3 LYS 56 HB3 LYS 56 3.098 6.816 -5.724 454 HG2 LYS 56 HG2 LYS 56 3.766 9.330 -6.300 455 HG3 LYS 56 HG3 LYS 56 5.042 8.560 -7.242 456 HD2 LYS 56 HD2 LYS 56 3.113 9.047 -8.663 457 HD3 LYS 56 HD3 LYS 56 3.326 7.299 -8.516 458 HE2 LYS 56 HE2 LYS 56 1.491 7.146 -6.933 459 HE3 LYS 56 HE3 LYS 56 1.366 8.902 -6.828 460 HZ1 LYS 56 HZ1 LYS 56 -0.356 7.979 -8.228 461 HZ2 LYS 56 HZ2 LYS 56 0.796 7.269 -9.237 462 HZ3 LYS 56 HZ3 LYS 56 0.684 8.952 -9.146 463 H VAL 57 H VAL 57 2.399 7.172 -3.184 464 HA VAL 57 HA VAL 57 1.205 9.764 -3.254 465 HB VAL 57 HB VAL 57 0.451 7.324 -1.564 466 HG11 VAL 57 HG11 VAL 57 -1.160 9.831 -2.185 467 HG12 VAL 57 HG12 VAL 57 -0.488 9.396 -0.612 468 HG13 VAL 57 HG13 VAL 57 -1.767 8.412 -1.327 469 HG21 VAL 57 HG21 VAL 57 0.334 6.894 -4.009 470 HG22 VAL 57 HG22 VAL 57 -0.716 8.294 -4.208 471 HG23 VAL 57 HG23 VAL 57 -1.274 6.897 -3.282 472 H PHE 58 H PHE 58 2.711 7.820 -0.665 473 HA PHE 58 HA PHE 58 2.664 9.711 1.412 474 HB2 PHE 58 HB2 PHE 58 4.501 7.350 0.883 475 HB3 PHE 58 HB3 PHE 58 4.662 8.348 2.321 476 HD1 PHE 58 HD2 PHE 58 2.056 8.792 3.364 477 HD2 PHE 58 HD1 PHE 58 3.541 5.278 1.419 478 HE1 PHE 58 HE2 PHE 58 0.452 7.412 4.616 479 HE2 PHE 58 HE1 PHE 58 1.935 3.912 2.679 480 HZ PHE 58 HZ PHE 58 0.401 4.976 4.281 481 H ASP 59 H ASP 59 4.852 9.327 -1.306 482 HA ASP 59 HA ASP 59 6.970 11.017 -0.431 483 HB2 ASP 59 HB2 ASP 59 7.170 9.357 -2.312 484 HB3 ASP 59 HB3 ASP 59 6.128 10.370 -3.296 485 H ALA 60 H ALA 60 4.052 11.554 -2.385 486 HA ALA 60 HA ALA 60 4.469 14.323 -2.913 487 HB1 ALA 60 HB1 ALA 60 1.887 12.729 -2.903 488 HB2 ALA 60 HB2 ALA 60 2.989 12.906 -4.268 489 HB3 ALA 60 HB3 ALA 60 2.126 14.315 -3.652 490 H GLU 61 H GLU 61 2.761 12.565 -0.367 491 HA GLU 61 HA GLU 61 1.712 14.880 0.989 492 HB2 GLU 61 HB2 GLU 61 2.032 11.991 1.914 493 HB3 GLU 61 HB3 GLU 61 1.130 13.233 2.785 494 HG2 GLU 61 HG2 GLU 61 0.464 12.233 0.000 495 HG3 GLU 61 HG3 GLU 61 -0.293 11.667 1.483 496 H HIS 62 H HIS 62 4.769 13.415 0.790 497 HA HIS 62 HA HIS 62 6.725 13.502 1.882 498 HB2 HIS 62 HB2 HIS 62 5.594 16.043 3.123 499 HB3 HIS 62 HB3 HIS 62 7.297 15.592 3.104 500 HD1 HIS 62 HD1 HIS 62 5.125 17.771 1.402 501 HD2 HIS 62 HD2 HIS 62 8.056 15.117 0.135 502 HE1 HIS 62 HE1 HIS 62 5.743 18.500 -0.920 503 HE2 HIS 62 HE2 HIS 62 7.527 16.886 -1.660 504 H ASP 63 H ASP 63 4.522 12.012 3.034 505 HA ASP 63 HA ASP 63 4.891 11.980 5.914 506 HB2 ASP 63 HB2 ASP 63 2.681 11.393 4.917 507 HB3 ASP 63 HB3 ASP 63 3.417 10.044 4.062 508 H THR 64 H THR 64 6.849 11.327 6.557 509 HA THR 64 HA THR 64 8.667 9.853 4.973 510 HB THR 64 HB THR 64 9.576 11.467 6.495 511 HG1 THR 64 HG1 THR 64 10.790 9.496 6.166 512 HG21 THR 64 HG21 THR 64 7.860 11.468 8.262 513 HG22 THR 64 HG22 THR 64 9.470 11.272 8.961 514 HG23 THR 64 HG23 THR 64 8.396 9.878 8.806 515 H ASP 65 H ASP 65 6.598 8.884 7.701 516 HA ASP 65 HA ASP 65 7.988 6.484 8.323 517 HB2 ASP 65 HB2 ASP 65 5.139 7.341 8.986 518 HB3 ASP 65 HB3 ASP 65 5.947 5.943 9.692 519 H GLY 66 H GLY 66 5.001 7.071 6.469 520 HA2 GLY 66 HA2 GLY 66 4.473 4.351 5.839 521 HA3 GLY 66 HA3 GLY 66 3.780 5.758 5.051 522 H ALA 67 H ALA 67 6.150 6.965 4.106 523 HA ALA 67 HA ALA 67 6.503 5.677 1.622 524 HB1 ALA 67 HB1 ALA 67 8.227 7.395 1.212 525 HB2 ALA 67 HB2 ALA 67 8.214 7.822 2.928 526 HB3 ALA 67 HB3 ALA 67 6.777 8.096 1.941 527 H ARG 68 H ARG 68 8.584 5.821 4.505 528 HA ARG 68 HA ARG 68 10.787 4.380 3.410 529 HB2 ARG 68 HB2 ARG 68 10.007 4.998 6.287 530 HB3 ARG 68 HB3 ARG 68 11.491 4.149 5.856 531 HG2 ARG 68 HG2 ARG 68 12.248 6.117 4.567 532 HG3 ARG 68 HG3 ARG 68 10.758 6.968 4.986 533 HD2 ARG 68 HD2 ARG 68 12.573 7.728 6.429 534 HD3 ARG 68 HD3 ARG 68 11.386 6.837 7.386 535 HE ARG 68 HE ARG 68 13.304 4.987 6.641 536 HH11 ARG 68 HH11 ARG 68 13.306 7.948 8.575 537 HH12 ARG 68 HH12 ARG 68 14.628 7.431 9.566 538 HH21 ARG 68 HH21 ARG 68 15.035 4.343 7.937 539 HH22 ARG 68 HH22 ARG 68 15.613 5.374 9.206 540 H ARG 69 H ARG 69 7.948 3.401 5.365 541 HA ARG 69 HA ARG 69 8.780 0.680 5.667 542 HB2 ARG 69 HB2 ARG 69 6.045 1.956 6.025 543 HB3 ARG 69 HB3 ARG 69 6.369 0.247 6.326 544 HG2 ARG 69 HG2 ARG 69 8.210 1.104 7.956 545 HG3 ARG 69 HG3 ARG 69 7.366 2.655 7.858 546 HD2 ARG 69 HD2 ARG 69 6.242 -0.002 8.810 547 HD3 ARG 69 HD3 ARG 69 6.570 1.422 9.794 548 HE ARG 69 HE ARG 69 4.790 2.522 8.331 549 HH11 ARG 69 HH11 ARG 69 4.695 -0.893 9.162 550 HH12 ARG 69 HH12 ARG 69 2.972 -1.002 9.042 551 HH21 ARG 69 HH21 ARG 69 2.525 2.364 8.148 552 HH22 ARG 69 HH22 ARG 69 1.734 0.858 8.461 553 H ALA 70 H ALA 70 6.912 2.390 3.210 554 HA ALA 70 HA ALA 70 5.866 0.125 1.848 555 HB1 ALA 70 HB1 ALA 70 4.982 2.393 1.486 556 HB2 ALA 70 HB2 ALA 70 5.496 1.670 -0.041 557 HB3 ALA 70 HB3 ALA 70 6.507 2.887 0.745 558 H ALA 71 H ALA 71 8.860 1.978 1.544 559 HA ALA 71 HA ALA 71 9.961 0.480 -0.635 560 HB1 ALA 71 HB1 ALA 71 11.998 1.757 -0.209 561 HB2 ALA 71 HB2 ALA 71 11.342 2.320 1.333 562 HB3 ALA 71 HB3 ALA 71 10.584 2.810 -0.179 563 H LYS 72 H LYS 72 10.034 0.145 2.860 564 HA LYS 72 HA LYS 72 12.262 -1.678 2.977 565 HB2 LYS 72 HB2 LYS 72 11.618 -0.240 4.901 566 HB3 LYS 72 HB3 LYS 72 10.083 -1.094 5.032 567 HG2 LYS 72 HG2 LYS 72 11.250 -3.165 5.619 568 HG3 LYS 72 HG3 LYS 72 12.812 -2.369 5.402 569 HD2 LYS 72 HD2 LYS 72 12.274 -0.829 7.280 570 HD3 LYS 72 HD3 LYS 72 10.720 -1.641 7.496 571 HE2 LYS 72 HE2 LYS 72 11.917 -3.744 8.038 572 HE3 LYS 72 HE3 LYS 72 13.460 -2.912 7.841 573 HZ1 LYS 72 HZ1 LYS 72 12.910 -3.022 10.147 574 HZ2 LYS 72 HZ2 LYS 72 11.384 -2.345 9.881 575 HZ3 LYS 72 HZ3 LYS 72 12.775 -1.415 9.652 576 H SER 73 H SER 73 8.734 -1.937 2.995 577 HA SER 73 HA SER 73 8.543 -4.769 3.054 578 HB2 SER 73 HB2 SER 73 6.570 -2.687 2.017 579 HB3 SER 73 HB3 SER 73 6.198 -4.399 2.264 580 HG SER 73 HG SER 73 7.191 -2.721 4.317 581 H LEU 74 H LEU 74 8.971 -2.390 0.456 582 HA LEU 74 HA LEU 74 8.755 -4.119 -1.772 583 HB2 LEU 74 HB2 LEU 74 10.066 -1.446 -1.310 584 HB3 LEU 74 HB3 LEU 74 10.490 -2.317 -2.773 585 HG LEU 74 HG LEU 74 7.652 -1.566 -2.008 586 HD11 LEU 74 HD11 LEU 74 8.948 0.459 -2.463 587 HD12 LEU 74 HD12 LEU 74 7.756 0.147 -3.727 588 HD13 LEU 74 HD13 LEU 74 9.461 -0.213 -4.017 589 HD21 LEU 74 HD21 LEU 74 8.784 -2.690 -4.589 590 HD22 LEU 74 HD22 LEU 74 7.112 -2.178 -4.333 591 HD23 LEU 74 HD23 LEU 74 7.759 -3.550 -3.435 592 H SER 75 H SER 75 11.520 -3.239 0.279 593 HA SER 75 HA SER 75 13.581 -4.512 -1.116 594 HB2 SER 75 HB2 SER 75 14.000 -2.925 0.721 595 HB3 SER 75 HB3 SER 75 13.286 -4.037 1.889 596 HG SER 75 HG SER 75 15.451 -4.877 0.302 597 H GLU 76 H GLU 76 11.390 -5.780 1.389 598 HA GLU 76 HA GLU 76 12.399 -8.461 1.372 599 HB2 GLU 76 HB2 GLU 76 9.683 -7.448 2.309 600 HB3 GLU 76 HB3 GLU 76 10.415 -9.002 2.719 601 HG2 GLU 76 HG2 GLU 76 12.263 -7.754 3.881 602 HG3 GLU 76 HG3 GLU 76 11.398 -6.250 3.558 603 H ALA 77 H ALA 77 9.859 -6.727 -0.365 604 HA ALA 77 HA ALA 77 8.373 -8.922 -1.361 605 HB1 ALA 77 HB1 ALA 77 7.477 -6.623 -1.260 606 HB2 ALA 77 HB2 ALA 77 7.349 -7.285 -2.891 607 HB3 ALA 77 HB3 ALA 77 8.616 -6.115 -2.508 608 H TYR 78 H TYR 78 11.071 -7.085 -2.680 609 HA TYR 78 HA TYR 78 11.168 -8.268 -5.251 610 HB2 TYR 78 HB2 TYR 78 13.187 -6.658 -3.646 611 HB3 TYR 78 HB3 TYR 78 13.573 -7.287 -5.239 612 HD1 TYR 78 HD2 TYR 78 11.372 -6.796 -6.943 613 HD2 TYR 78 HD1 TYR 78 12.731 -4.326 -3.732 614 HE1 TYR 78 HE2 TYR 78 10.333 -4.851 -8.009 615 HE2 TYR 78 HE1 TYR 78 11.699 -2.372 -4.800 616 HH TYR 78 HH TYR 78 9.556 -2.653 -7.498 617 H GLN 79 H GLN 79 12.353 -9.276 -2.122 618 HA GLN 79 HA GLN 79 14.226 -11.248 -3.118 619 HB2 GLN 79 HB2 GLN 79 13.000 -10.885 -0.351 620 HB3 GLN 79 HB3 GLN 79 14.321 -11.992 -0.730 621 HG2 GLN 79 HG2 GLN 79 15.778 -10.144 -1.311 622 HG3 GLN 79 HG3 GLN 79 14.460 -8.988 -1.138 623 HE21 GLN 79 HE21 GLN 79 15.499 -7.762 0.417 624 HE22 GLN 79 HE22 GLN 79 15.786 -8.327 2.024 625 H LYS 80 H LYS 80 10.830 -11.174 -2.236 626 HA LYS 80 HA LYS 80 10.403 -14.036 -2.300 627 HB2 LYS 80 HB2 LYS 80 8.387 -11.758 -2.404 628 HB3 LYS 80 HB3 LYS 80 8.024 -13.449 -2.049 629 HG2 LYS 80 HG2 LYS 80 9.201 -13.345 0.049 630 HG3 LYS 80 HG3 LYS 80 9.870 -11.754 -0.338 631 HD2 LYS 80 HD2 LYS 80 7.541 -10.827 -0.325 632 HD3 LYS 80 HD3 LYS 80 6.942 -12.408 0.184 633 HE2 LYS 80 HE2 LYS 80 8.911 -10.700 1.749 634 HE3 LYS 80 HE3 LYS 80 7.182 -10.800 2.067 635 HZ1 LYS 80 HZ1 LYS 80 8.413 -12.220 3.547 636 HZ2 LYS 80 HZ2 LYS 80 9.109 -13.048 2.252 637 HZ3 LYS 80 HZ3 LYS 80 7.445 -13.158 2.530 638 H VAL 81 H VAL 81 10.387 -11.435 -4.582 639 HA VAL 81 HA VAL 81 9.110 -12.999 -6.708 640 HB VAL 81 HB VAL 81 10.011 -10.092 -6.552 641 HG11 VAL 81 HG11 VAL 81 8.989 -9.712 -8.753 642 HG12 VAL 81 HG12 VAL 81 8.633 -11.439 -8.907 643 HG13 VAL 81 HG13 VAL 81 10.309 -10.881 -8.884 644 HG21 VAL 81 HG21 VAL 81 7.983 -10.599 -5.266 645 HG22 VAL 81 HG22 VAL 81 7.250 -11.375 -6.673 646 HG23 VAL 81 HG23 VAL 81 7.557 -9.639 -6.685 647 H GLU 82 H GLU 82 12.117 -10.931 -6.746 648 HA GLU 82 HA GLU 82 13.521 -12.672 -8.510 649 HB2 GLU 82 HB2 GLU 82 14.536 -10.528 -6.604 650 HB3 GLU 82 HB3 GLU 82 15.627 -11.480 -7.600 651 HG2 GLU 82 HG2 GLU 82 15.247 -9.361 -8.669 652 HG3 GLU 82 HG3 GLU 82 14.504 -10.636 -9.634 653 H GLY 83 H GLY 83 13.717 -14.738 -7.959 654 HA2 GLY 83 HA2 GLY 83 15.388 -16.060 -6.394 655 HA3 GLY 83 HA3 GLY 83 14.164 -15.609 -5.203 656 H SER 84 H SER 84 14.453 -18.194 -5.440 657 HA SER 84 HA SER 84 12.826 -19.474 -7.398 658 HB2 SER 84 HB2 SER 84 12.976 -21.451 -5.808 659 HB3 SER 84 HB3 SER 84 14.536 -20.773 -6.277 660 HG SER 84 HG SER 84 14.107 -21.260 -3.955 661 H GLY 85 H GLY 85 10.772 -18.740 -7.541 662 HA2 GLY 85 HA2 GLY 85 8.572 -19.502 -6.322 663 HA3 GLY 85 HA3 GLY 85 9.095 -18.286 -5.161 664 H ASP 86 H ASP 86 9.177 -18.396 -8.732 665 HA ASP 86 HA ASP 86 7.236 -16.281 -9.032 666 HB2 ASP 86 HB2 ASP 86 9.255 -15.010 -8.268 667 HB3 ASP 86 HB3 ASP 86 10.167 -15.656 -9.627 668 H LYS 87 H LYS 87 6.216 -17.547 -10.514 669 HA LYS 87 HA LYS 87 7.655 -18.402 -12.956 670 HB2 LYS 87 HB2 LYS 87 5.613 -19.782 -13.415 671 HB3 LYS 87 HB3 LYS 87 6.397 -20.206 -11.895 672 HG2 LYS 87 HG2 LYS 87 4.677 -18.890 -10.667 673 HG3 LYS 87 HG3 LYS 87 3.885 -18.526 -12.204 674 HD2 LYS 87 HD2 LYS 87 3.520 -20.974 -12.554 675 HD3 LYS 87 HD3 LYS 87 4.247 -21.288 -10.974 676 HE2 LYS 87 HE2 LYS 87 1.730 -19.664 -11.482 677 HE3 LYS 87 HE3 LYS 87 1.787 -21.311 -10.851 678 HZ1 LYS 87 HZ1 LYS 87 1.487 -19.608 -9.128 679 HZ2 LYS 87 HZ2 LYS 87 2.999 -18.953 -9.505 680 HZ3 LYS 87 HZ3 LYS 87 2.883 -20.524 -8.890 681 H GLY 88 H GLY 88 7.442 -17.176 -14.746 682 HA2 GLY 88 HA2 GLY 88 5.734 -14.813 -14.740 683 HA3 GLY 88 HA3 GLY 88 6.987 -15.215 -15.905 684 H LYS 89 H LYS 89 4.162 -17.150 -14.911 685 HA LYS 89 HA LYS 89 3.212 -17.217 -17.698 686 HB2 LYS 89 HB2 LYS 89 3.577 -19.399 -16.518 687 HB3 LYS 89 HB3 LYS 89 2.375 -18.931 -15.320 688 HG2 LYS 89 HG2 LYS 89 0.659 -18.830 -17.156 689 HG3 LYS 89 HG3 LYS 89 1.884 -19.416 -18.283 690 HD2 LYS 89 HD2 LYS 89 0.471 -21.275 -17.574 691 HD3 LYS 89 HD3 LYS 89 2.102 -21.499 -16.937 692 HE2 LYS 89 HE2 LYS 89 1.345 -20.636 -14.733 693 HE3 LYS 89 HE3 LYS 89 -0.283 -20.429 -15.384 694 HZ1 LYS 89 HZ1 LYS 89 1.170 -23.000 -15.107 695 HZ2 LYS 89 HZ2 LYS 89 -0.366 -22.818 -15.775 696 HZ3 LYS 89 HZ3 LYS 89 -0.113 -22.467 -14.142 697 H ILE 90 H ILE 90 2.531 -15.015 -17.482 698 HA ILE 90 HA ILE 90 0.186 -14.384 -15.862 699 HB ILE 90 HB ILE 90 1.713 -12.756 -17.963 700 HG12 ILE 90 HG12 ILE 90 2.117 -11.197 -15.935 701 HG13 ILE 90 HG13 ILE 90 1.502 -12.498 -14.925 702 HG21 ILE 90 HG21 ILE 90 -0.658 -12.148 -18.140 703 HG22 ILE 90 HG22 ILE 90 0.260 -10.822 -17.426 704 HG23 ILE 90 HG23 ILE 90 -0.737 -11.858 -16.400 705 HD11 ILE 90 HD11 ILE 90 3.927 -12.417 -14.940 706 HD12 ILE 90 HD12 ILE 90 3.940 -12.625 -16.692 707 HD13 ILE 90 HD13 ILE 90 3.345 -13.921 -15.654 708 H PHE 91 H PHE 91 -1.767 -15.080 -16.513 709 HA PHE 91 HA PHE 91 -2.390 -16.083 -19.103 710 HB2 PHE 91 HB2 PHE 91 -4.193 -15.246 -16.795 711 HB3 PHE 91 HB3 PHE 91 -4.790 -16.010 -18.266 712 HD1 PHE 91 HD2 PHE 91 -4.306 -18.367 -18.744 713 HD2 PHE 91 HD1 PHE 91 -2.924 -16.544 -15.129 714 HE1 PHE 91 HE2 PHE 91 -3.842 -20.578 -17.795 715 HE2 PHE 91 HE1 PHE 91 -2.463 -18.764 -14.190 716 HZ PHE 91 HZ PHE 91 -2.926 -20.787 -15.516 717 H GLN 92 H GLN 92 -4.296 -15.127 -20.396 718 HA GLN 92 HA GLN 92 -3.344 -12.524 -21.286 719 HB2 GLN 92 HB2 GLN 92 -5.514 -14.224 -22.573 720 HB3 GLN 92 HB3 GLN 92 -4.551 -12.963 -23.335 721 HG2 GLN 92 HG2 GLN 92 -3.618 -15.710 -22.449 722 HG3 GLN 92 HG3 GLN 92 -3.807 -15.136 -24.102 723 HE21 GLN 92 HE21 GLN 92 -2.518 -12.529 -23.601 724 HE22 GLN 92 HE22 GLN 92 -0.835 -12.869 -23.406 725 H LYS 93 H LYS 93 -4.786 -12.426 -18.796 726 HA LYS 93 HA LYS 93 -6.418 -11.431 -17.630 727 HB2 LYS 93 HB2 LYS 93 -6.773 -9.777 -20.170 728 HB3 LYS 93 HB3 LYS 93 -7.466 -9.371 -18.597 729 HG2 LYS 93 HG2 LYS 93 -5.202 -9.151 -17.641 730 HG3 LYS 93 HG3 LYS 93 -4.492 -9.593 -19.200 731 HD2 LYS 93 HD2 LYS 93 -5.459 -7.565 -20.221 732 HD3 LYS 93 HD3 LYS 93 -6.208 -7.131 -18.678 733 HE2 LYS 93 HE2 LYS 93 -3.225 -7.357 -19.202 734 HE3 LYS 93 HE3 LYS 93 -4.133 -5.850 -19.079 735 HZ1 LYS 93 HZ1 LYS 93 -3.679 -7.835 -16.913 736 HZ2 LYS 93 HZ2 LYS 93 -4.696 -6.496 -16.771 737 HZ3 LYS 93 HZ3 LYS 93 -3.039 -6.272 -17.019 738 H GLU 94 H GLU 94 -7.104 -13.731 -18.170 739 HA GLU 94 HA GLU 94 -9.197 -14.322 -19.976 740 HB2 GLU 94 HB2 GLU 94 -7.604 -16.017 -19.139 741 HB3 GLU 94 HB3 GLU 94 -8.239 -15.833 -17.505 742 HG2 GLU 94 HG2 GLU 94 -10.444 -16.684 -18.300 743 HG3 GLU 94 HG3 GLU 94 -9.753 -16.923 -19.906 744 H GLY 95 H GLY 95 -11.371 -14.241 -19.773 745 HA2 GLY 95 HA2 GLY 95 -13.461 -14.254 -18.733 746 HA3 GLY 95 HA3 GLY 95 -12.696 -14.024 -17.170 747 H GLU 96 H GLU 96 -11.649 -11.861 -19.705 748 HA GLU 96 HA GLU 96 -12.772 -9.558 -18.410 749 HB2 GLU 96 HB2 GLU 96 -11.776 -8.216 -20.143 750 HB3 GLU 96 HB3 GLU 96 -10.630 -9.498 -19.769 751 HG2 GLU 96 HG2 GLU 96 -11.071 -10.644 -21.810 752 HG3 GLU 96 HG3 GLU 96 -12.549 -9.735 -22.099 753 H SER 97 H SER 97 -14.272 -7.991 -19.474 754 HA SER 97 HA SER 97 -15.915 -8.816 -21.684 755 HB2 SER 97 HB2 SER 97 -18.071 -8.867 -20.344 756 HB3 SER 97 HB3 SER 97 -16.984 -10.210 -19.989 757 HG SER 97 HG SER 97 -16.812 -9.534 -18.016 758 H ILE 98 H ILE 98 -17.223 -7.153 -22.458 759 HA ILE 98 HA ILE 98 -16.514 -4.454 -21.667 760 HB ILE 98 HB ILE 98 -17.827 -3.723 -23.618 761 HG12 ILE 98 HG12 ILE 98 -18.608 -6.652 -24.036 762 HG13 ILE 98 HG13 ILE 98 -19.695 -5.403 -23.441 763 HG21 ILE 98 HG21 ILE 98 -16.078 -6.113 -24.316 764 HG22 ILE 98 HG22 ILE 98 -15.515 -4.464 -24.032 765 HG23 ILE 98 HG23 ILE 98 -16.539 -4.817 -25.425 766 HD11 ILE 98 HD11 ILE 98 -20.112 -5.854 -25.771 767 HD12 ILE 98 HD12 ILE 98 -18.432 -5.510 -26.182 768 HD13 ILE 98 HD13 ILE 98 -19.482 -4.219 -25.590 769 H LEU 99 H LEU 99 -18.132 -2.812 -21.238 770 HA LEU 99 HA LEU 99 -20.287 -3.742 -19.476 771 HB2 LEU 99 HB2 LEU 99 -19.108 -0.962 -19.938 772 HB3 LEU 99 HB3 LEU 99 -20.488 -1.269 -18.899 773 HG LEU 99 HG LEU 99 -18.563 -1.028 -17.481 774 HD11 LEU 99 HD11 LEU 99 -18.474 -3.135 -16.260 775 HD12 LEU 99 HD12 LEU 99 -19.184 -3.990 -17.632 776 HD13 LEU 99 HD13 LEU 99 -20.126 -2.773 -16.766 777 HD21 LEU 99 HD21 LEU 99 -16.786 -1.436 -19.126 778 HD22 LEU 99 HD22 LEU 99 -17.139 -3.165 -19.097 779 HD23 LEU 99 HD23 LEU 99 -16.517 -2.365 -17.651 780 H GLU 100 H GLU 100 -22.162 -4.121 -20.402 781 HA GLU 100 HA GLU 100 -23.017 -2.815 -22.882 782 HB2 GLU 100 HB2 GLU 100 -23.203 -5.276 -22.699 783 HB3 GLU 100 HB3 GLU 100 -24.234 -5.119 -21.284 784 HG2 GLU 100 HG2 GLU 100 -25.903 -3.902 -22.786 785 HG3 GLU 100 HG3 GLU 100 -24.903 -4.382 -24.153 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -16.354 -13.493 7.782 2 H2 GLY 1 H2 GLY 1 -16.333 -11.892 7.244 3 H3 GLY 1 H3 GLY 1 -15.093 -12.469 8.233 4 HA2 GLY 1 HA2 GLY 1 -15.657 -13.513 5.513 5 HA3 GLY 1 HA3 GLY 1 -14.468 -12.265 5.854 6 H GLY 2 H GLY 2 -12.495 -13.174 5.667 7 HA2 GLY 2 HA2 GLY 2 -11.219 -14.726 7.469 8 HA3 GLY 2 HA3 GLY 2 -11.947 -15.934 6.413 9 H SER 3 H SER 3 -11.760 -14.601 3.980 10 HA SER 3 HA SER 3 -9.031 -15.107 3.261 11 HB2 SER 3 HB2 SER 3 -11.364 -14.066 1.586 12 HB3 SER 3 HB3 SER 3 -9.810 -14.594 0.940 13 HG SER 3 HG SER 3 -10.278 -16.656 1.434 14 HA PRO 4 HA PRO 4 -7.314 -10.928 3.618 15 HB2 PRO 4 HB2 PRO 4 -5.712 -11.762 1.199 16 HB3 PRO 4 HB3 PRO 4 -5.158 -11.094 2.751 17 HG2 PRO 4 HG2 PRO 4 -4.826 -13.668 2.291 18 HG3 PRO 4 HG3 PRO 4 -5.417 -13.144 3.887 19 HD2 PRO 4 HD2 PRO 4 -6.991 -14.271 1.572 20 HD3 PRO 4 HD3 PRO 4 -7.089 -14.680 3.304 21 H ASP 5 H ASP 5 -8.417 -12.129 0.478 22 HA ASP 5 HA ASP 5 -8.507 -9.738 -0.994 23 HB2 ASP 5 HB2 ASP 5 -8.678 -11.926 -2.072 24 HB3 ASP 5 HB3 ASP 5 -10.212 -12.244 -1.268 25 H GLU 6 H GLU 6 -10.800 -11.101 1.294 26 HA GLU 6 HA GLU 6 -12.960 -9.286 0.829 27 HB2 GLU 6 HB2 GLU 6 -12.327 -10.987 3.284 28 HB3 GLU 6 HB3 GLU 6 -13.860 -10.162 2.985 29 HG2 GLU 6 HG2 GLU 6 -14.218 -11.524 0.974 30 HG3 GLU 6 HG3 GLU 6 -12.669 -12.326 1.227 31 H ASN 7 H ASN 7 -10.219 -9.336 3.110 32 HA ASN 7 HA ASN 7 -10.813 -6.961 4.532 33 HB2 ASN 7 HB2 ASN 7 -8.070 -8.187 3.952 34 HB3 ASN 7 HB3 ASN 7 -8.389 -6.932 5.146 35 HD21 ASN 7 HD21 ASN 7 -8.876 -10.298 4.353 36 HD22 ASN 7 HD22 ASN 7 -9.284 -10.820 5.944 37 H ILE 8 H ILE 8 -9.126 -7.553 1.498 38 HA ILE 8 HA ILE 8 -8.057 -5.017 0.957 39 HB ILE 8 HB ILE 8 -8.979 -7.247 -0.905 40 HG12 ILE 8 HG12 ILE 8 -6.168 -6.353 -0.150 41 HG13 ILE 8 HG13 ILE 8 -7.050 -7.629 0.680 42 HG21 ILE 8 HG21 ILE 8 -7.694 -6.170 -2.740 43 HG22 ILE 8 HG22 ILE 8 -7.452 -4.747 -1.724 44 HG23 ILE 8 HG23 ILE 8 -9.079 -5.197 -2.234 45 HD11 ILE 8 HD11 ILE 8 -6.209 -7.660 -2.207 46 HD12 ILE 8 HD12 ILE 8 -7.121 -8.925 -1.385 47 HD13 ILE 8 HD13 ILE 8 -5.476 -8.553 -0.877 48 H ALA 9 H ALA 9 -11.259 -6.390 0.133 49 HA ALA 9 HA ALA 9 -12.320 -4.256 -1.323 50 HB1 ALA 9 HB1 ALA 9 -13.429 -6.448 -1.173 51 HB2 ALA 9 HB2 ALA 9 -14.547 -5.155 -0.733 52 HB3 ALA 9 HB3 ALA 9 -13.812 -6.154 0.525 53 H LYS 10 H LYS 10 -12.107 -4.742 2.163 54 HA LYS 10 HA LYS 10 -13.604 -2.457 2.984 55 HB2 LYS 10 HB2 LYS 10 -13.200 -4.359 4.508 56 HB3 LYS 10 HB3 LYS 10 -11.465 -4.058 4.450 57 HG2 LYS 10 HG2 LYS 10 -11.830 -1.849 5.526 58 HG3 LYS 10 HG3 LYS 10 -13.558 -2.201 5.627 59 HD2 LYS 10 HD2 LYS 10 -13.080 -4.122 7.106 60 HD3 LYS 10 HD3 LYS 10 -11.347 -3.802 6.970 61 HE2 LYS 10 HE2 LYS 10 -12.257 -2.925 9.082 62 HE3 LYS 10 HE3 LYS 10 -11.646 -1.623 8.061 63 HZ1 LYS 10 HZ1 LYS 10 -13.867 -1.068 7.419 64 HZ2 LYS 10 HZ2 LYS 10 -13.808 -1.130 9.106 65 HZ3 LYS 10 HZ3 LYS 10 -14.510 -2.399 8.238 66 H PHE 11 H PHE 11 -10.138 -3.060 2.383 67 HA PHE 11 HA PHE 11 -9.251 -0.481 3.278 68 HB2 PHE 11 HB2 PHE 11 -7.773 -2.522 1.563 69 HB3 PHE 11 HB3 PHE 11 -7.041 -1.113 2.326 70 HD1 PHE 11 HD2 PHE 11 -8.366 -1.220 5.035 71 HD2 PHE 11 HD1 PHE 11 -6.642 -4.319 2.630 72 HE1 PHE 11 HE2 PHE 11 -7.927 -2.559 7.053 73 HE2 PHE 11 HE1 PHE 11 -6.208 -5.641 4.660 74 HZ PHE 11 HZ PHE 11 -6.851 -4.767 6.865 75 H GLU 12 H GLU 12 -10.347 -1.742 0.201 76 HA GLU 12 HA GLU 12 -9.503 0.493 -1.394 77 HB2 GLU 12 HB2 GLU 12 -11.598 -1.648 -1.971 78 HB3 GLU 12 HB3 GLU 12 -11.083 -0.413 -3.119 79 HG2 GLU 12 HG2 GLU 12 -8.727 -1.351 -2.881 80 HG3 GLU 12 HG3 GLU 12 -9.448 -2.704 -2.011 81 H LYS 13 H LYS 13 -12.370 -0.393 0.441 82 HA LYS 13 HA LYS 13 -14.032 1.771 -0.418 83 HB2 LYS 13 HB2 LYS 13 -14.833 -0.392 0.664 84 HB3 LYS 13 HB3 LYS 13 -14.206 0.202 2.196 85 HG2 LYS 13 HG2 LYS 13 -16.605 0.567 2.097 86 HG3 LYS 13 HG3 LYS 13 -15.778 2.131 2.076 87 HD2 LYS 13 HD2 LYS 13 -16.075 2.239 -0.387 88 HD3 LYS 13 HD3 LYS 13 -16.899 0.678 -0.357 89 HE2 LYS 13 HE2 LYS 13 -18.686 1.679 1.051 90 HE3 LYS 13 HE3 LYS 13 -17.862 3.240 0.962 91 HZ1 LYS 13 HZ1 LYS 13 -19.529 3.262 -0.686 92 HZ2 LYS 13 HZ2 LYS 13 -19.124 1.727 -1.255 93 HZ3 LYS 13 HZ3 LYS 13 -18.081 3.025 -1.526 94 H ALA 14 H ALA 14 -11.732 1.247 2.215 95 HA ALA 14 HA ALA 14 -12.045 3.774 3.516 96 HB1 ALA 14 HB1 ALA 14 -9.965 3.163 4.693 97 HB2 ALA 14 HB2 ALA 14 -9.726 1.811 3.580 98 HB3 ALA 14 HB3 ALA 14 -11.110 1.820 4.673 99 H TYR 15 H TYR 15 -10.081 2.542 0.873 100 HA TYR 15 HA TYR 15 -8.299 4.733 0.519 101 HB2 TYR 15 HB2 TYR 15 -7.795 2.531 -0.404 102 HB3 TYR 15 HB3 TYR 15 -9.279 2.523 -1.338 103 HD1 TYR 15 HD2 TYR 15 -6.192 4.646 -0.974 104 HD2 TYR 15 HD1 TYR 15 -9.053 2.916 -3.622 105 HE1 TYR 15 HE2 TYR 15 -4.963 5.526 -2.865 106 HE2 TYR 15 HE1 TYR 15 -7.830 3.815 -5.537 107 HH TYR 15 HH TYR 15 -6.211 5.758 -5.959 108 H LYS 16 H LYS 16 -11.457 3.883 -0.825 109 HA LYS 16 HA LYS 16 -11.710 6.035 -2.659 110 HB2 LYS 16 HB2 LYS 16 -13.715 4.177 -1.332 111 HB3 LYS 16 HB3 LYS 16 -14.236 5.456 -2.423 112 HG2 LYS 16 HG2 LYS 16 -12.278 3.265 -3.207 113 HG3 LYS 16 HG3 LYS 16 -14.026 3.180 -3.477 114 HD2 LYS 16 HD2 LYS 16 -13.852 5.267 -4.861 115 HD3 LYS 16 HD3 LYS 16 -12.097 5.220 -4.650 116 HE2 LYS 16 HE2 LYS 16 -13.796 3.107 -6.034 117 HE3 LYS 16 HE3 LYS 16 -12.733 4.277 -6.816 118 HZ1 LYS 16 HZ1 LYS 16 -11.866 2.112 -4.973 119 HZ2 LYS 16 HZ2 LYS 16 -10.849 3.257 -5.687 120 HZ3 LYS 16 HZ3 LYS 16 -11.662 2.138 -6.650 121 H LYS 17 H LYS 17 -12.863 5.537 0.686 122 HA LYS 17 HA LYS 17 -14.124 8.007 1.119 123 HB2 LYS 17 HB2 LYS 17 -14.311 6.030 2.648 124 HB3 LYS 17 HB3 LYS 17 -12.640 6.261 3.145 125 HG2 LYS 17 HG2 LYS 17 -14.107 7.128 4.860 126 HG3 LYS 17 HG3 LYS 17 -13.254 8.478 4.105 127 HD2 LYS 17 HD2 LYS 17 -15.265 8.990 2.752 128 HD3 LYS 17 HD3 LYS 17 -16.113 7.622 3.481 129 HE2 LYS 17 HE2 LYS 17 -15.955 8.704 5.691 130 HE3 LYS 17 HE3 LYS 17 -15.076 10.055 4.971 131 HZ1 LYS 17 HZ1 LYS 17 -17.875 9.280 4.307 132 HZ2 LYS 17 HZ2 LYS 17 -17.034 10.589 3.656 133 HZ3 LYS 17 HZ3 LYS 17 -17.421 10.573 5.297 134 H ALA 18 H ALA 18 -10.783 6.968 1.649 135 HA ALA 18 HA ALA 18 -9.576 9.216 2.748 136 HB1 ALA 18 HB1 ALA 18 -7.499 8.277 1.813 137 HB2 ALA 18 HB2 ALA 18 -8.450 7.200 0.782 138 HB3 ALA 18 HB3 ALA 18 -8.515 7.030 2.538 139 H GLU 19 H GLU 19 -10.105 8.349 -0.672 140 HA GLU 19 HA GLU 19 -8.719 10.518 -1.889 141 HB2 GLU 19 HB2 GLU 19 -9.300 8.232 -2.900 142 HB3 GLU 19 HB3 GLU 19 -10.933 8.824 -3.136 143 HG2 GLU 19 HG2 GLU 19 -8.517 10.198 -4.357 144 HG3 GLU 19 HG3 GLU 19 -9.326 8.857 -5.152 145 H GLU 20 H GLU 20 -12.113 9.949 -1.042 146 HA GLU 20 HA GLU 20 -13.259 12.288 -2.167 147 HB2 GLU 20 HB2 GLU 20 -14.195 10.591 0.196 148 HB3 GLU 20 HB3 GLU 20 -15.169 11.831 -0.596 149 HG2 GLU 20 HG2 GLU 20 -15.117 10.554 -2.696 150 HG3 GLU 20 HG3 GLU 20 -14.120 9.319 -1.933 151 H LEU 21 H LEU 21 -11.723 11.620 0.932 152 HA LEU 21 HA LEU 21 -12.333 14.189 2.116 153 HB2 LEU 21 HB2 LEU 21 -10.388 12.020 3.017 154 HB3 LEU 21 HB3 LEU 21 -10.861 13.416 3.972 155 HG LEU 21 HG LEU 21 -12.649 11.099 3.156 156 HD11 LEU 21 HD11 LEU 21 -12.748 10.590 5.555 157 HD12 LEU 21 HD12 LEU 21 -11.599 11.893 5.885 158 HD13 LEU 21 HD13 LEU 21 -11.105 10.496 4.924 159 HD21 LEU 21 HD21 LEU 21 -13.404 13.543 4.772 160 HD22 LEU 21 HD22 LEU 21 -14.419 12.126 4.485 161 HD23 LEU 21 HD23 LEU 21 -13.948 13.157 3.137 162 H ASN 22 H ASN 22 -10.067 13.095 -0.140 163 HA ASN 22 HA ASN 22 -8.259 13.933 -1.192 164 HB2 ASN 22 HB2 ASN 22 -9.775 16.091 -1.014 165 HB3 ASN 22 HB3 ASN 22 -8.609 16.621 0.188 166 HD21 ASN 22 HD21 ASN 22 -9.222 17.893 -2.284 167 HD22 ASN 22 HD22 ASN 22 -7.780 17.928 -3.235 168 H GLN 23 H GLN 23 -8.019 12.623 1.343 169 HA GLN 23 HA GLN 23 -5.619 13.827 2.589 170 HB2 GLN 23 HB2 GLN 23 -7.571 11.754 3.700 171 HB3 GLN 23 HB3 GLN 23 -6.127 12.325 4.537 172 HG2 GLN 23 HG2 GLN 23 -7.067 14.618 4.600 173 HG3 GLN 23 HG3 GLN 23 -8.499 14.051 3.741 174 HE21 GLN 23 HE21 GLN 23 -9.911 14.660 5.386 175 HE22 GLN 23 HE22 GLN 23 -9.989 13.836 6.904 176 H GLY 24 H GLY 24 -4.043 13.147 1.282 177 HA2 GLY 24 HA2 GLY 24 -3.935 10.735 -0.142 178 HA3 GLY 24 HA3 GLY 24 -2.596 11.834 0.122 179 H GLU 25 H GLU 25 -2.616 11.599 3.031 180 HA GLU 25 HA GLU 25 -0.809 9.497 3.400 181 HB2 GLU 25 HB2 GLU 25 -1.088 9.909 5.850 182 HB3 GLU 25 HB3 GLU 25 -0.800 11.378 4.927 183 HG2 GLU 25 HG2 GLU 25 -3.055 12.097 5.151 184 HG3 GLU 25 HG3 GLU 25 -3.591 10.512 5.706 185 H LEU 26 H LEU 26 -4.299 9.611 3.822 186 HA LEU 26 HA LEU 26 -4.621 7.010 4.985 187 HB2 LEU 26 HB2 LEU 26 -6.561 8.902 3.610 188 HB3 LEU 26 HB3 LEU 26 -7.060 7.369 4.302 189 HG LEU 26 HG LEU 26 -5.896 9.701 5.875 190 HD11 LEU 26 HD11 LEU 26 -8.177 9.968 6.763 191 HD12 LEU 26 HD12 LEU 26 -8.753 8.685 5.694 192 HD13 LEU 26 HD13 LEU 26 -8.139 10.194 5.015 193 HD21 LEU 26 HD21 LEU 26 -7.058 7.070 6.816 194 HD22 LEU 26 HD22 LEU 26 -6.540 8.404 7.854 195 HD23 LEU 26 HD23 LEU 26 -5.355 7.536 6.880 196 H MET 27 H MET 27 -4.646 8.327 1.684 197 HA MET 27 HA MET 27 -5.802 6.084 0.365 198 HB2 MET 27 HB2 MET 27 -4.049 8.309 -0.767 199 HB3 MET 27 HB3 MET 27 -4.893 7.117 -1.746 200 HG2 MET 27 HG2 MET 27 -7.041 7.987 -0.658 201 HG3 MET 27 HG3 MET 27 -6.067 9.350 -0.102 202 HE1 MET 27 HE1 MET 27 -4.022 9.388 -2.706 203 HE2 MET 27 HE2 MET 27 -4.609 10.852 -1.903 204 HE3 MET 27 HE3 MET 27 -4.785 10.669 -3.650 205 H GLY 28 H GLY 28 -2.420 7.222 0.489 206 HA2 GLY 28 HA2 GLY 28 -1.195 5.027 -0.736 207 HA3 GLY 28 HA3 GLY 28 -0.417 6.143 0.372 208 H ARG 29 H ARG 29 -2.011 5.629 2.648 209 HA ARG 29 HA ARG 29 -0.724 3.403 3.817 210 HB2 ARG 29 HB2 ARG 29 -1.629 5.422 5.026 211 HB3 ARG 29 HB3 ARG 29 -3.256 4.810 4.765 212 HG2 ARG 29 HG2 ARG 29 -2.573 2.772 6.092 213 HG3 ARG 29 HG3 ARG 29 -1.070 3.593 6.469 214 HD2 ARG 29 HD2 ARG 29 -2.333 5.436 7.532 215 HD3 ARG 29 HD3 ARG 29 -3.852 4.607 7.163 216 HE ARG 29 HE ARG 29 -2.532 2.743 8.580 217 HH11 ARG 29 HH11 ARG 29 -3.141 6.154 9.286 218 HH12 ARG 29 HH12 ARG 29 -3.153 5.905 11.006 219 HH21 ARG 29 HH21 ARG 29 -2.559 2.458 10.859 220 HH22 ARG 29 HH22 ARG 29 -2.827 3.827 11.884 221 H ALA 30 H ALA 30 -3.930 3.841 2.390 222 HA ALA 30 HA ALA 30 -5.123 1.389 3.135 223 HB1 ALA 30 HB1 ALA 30 -6.771 1.901 1.377 224 HB2 ALA 30 HB2 ALA 30 -5.713 3.168 0.730 225 HB3 ALA 30 HB3 ALA 30 -6.413 3.331 2.347 226 H LEU 31 H LEU 31 -3.387 2.413 0.197 227 HA LEU 31 HA LEU 31 -3.507 -0.023 -1.236 228 HB2 LEU 31 HB2 LEU 31 -1.457 2.230 -1.358 229 HB3 LEU 31 HB3 LEU 31 -1.584 0.936 -2.548 230 HG LEU 31 HG LEU 31 -3.749 2.995 -1.967 231 HD11 LEU 31 HD11 LEU 31 -1.819 4.030 -3.039 232 HD12 LEU 31 HD12 LEU 31 -3.193 3.966 -4.141 233 HD13 LEU 31 HD13 LEU 31 -1.858 2.823 -4.327 234 HD21 LEU 31 HD21 LEU 31 -4.859 2.100 -3.968 235 HD22 LEU 31 HD22 LEU 31 -4.703 0.881 -2.706 236 HD23 LEU 31 HD23 LEU 31 -3.621 0.846 -4.103 237 H TYR 32 H TYR 32 -1.217 1.259 1.116 238 HA TYR 32 HA TYR 32 0.772 -0.733 0.979 239 HB2 TYR 32 HB2 TYR 32 1.113 1.463 2.080 240 HB3 TYR 32 HB3 TYR 32 -0.058 1.050 3.322 241 HD1 TYR 32 HD2 TYR 32 3.317 0.171 1.973 242 HD2 TYR 32 HD1 TYR 32 0.631 -0.175 5.276 243 HE1 TYR 32 HE2 TYR 32 5.125 -0.764 3.354 244 HE2 TYR 32 HE1 TYR 32 2.447 -1.091 6.653 245 HH TYR 32 HH TYR 32 4.571 -2.231 6.373 246 H ASN 33 H ASN 33 -2.240 -0.481 2.911 247 HA ASN 33 HA ASN 33 -1.950 -2.858 4.429 248 HB2 ASN 33 HB2 ASN 33 -4.411 -1.252 3.645 249 HB3 ASN 33 HB3 ASN 33 -4.547 -2.732 4.586 250 HD21 ASN 33 HD21 ASN 33 -3.996 0.617 4.732 251 HD22 ASN 33 HD22 ASN 33 -3.609 0.708 6.409 252 H ILE 34 H ILE 34 -3.520 -2.226 1.298 253 HA ILE 34 HA ILE 34 -4.542 -4.811 0.782 254 HB ILE 34 HB ILE 34 -3.657 -2.665 -1.210 255 HG12 ILE 34 HG12 ILE 34 -6.479 -3.260 -0.202 256 HG13 ILE 34 HG13 ILE 34 -5.455 -1.977 0.429 257 HG21 ILE 34 HG21 ILE 34 -5.141 -3.789 -2.850 258 HG22 ILE 34 HG22 ILE 34 -5.407 -5.097 -1.697 259 HG23 ILE 34 HG23 ILE 34 -3.793 -4.814 -2.350 260 HD11 ILE 34 HD11 ILE 34 -6.495 -2.180 -2.393 261 HD12 ILE 34 HD12 ILE 34 -5.424 -0.918 -1.779 262 HD13 ILE 34 HD13 ILE 34 -7.055 -1.083 -1.128 263 H GLY 35 H GLY 35 -1.420 -3.301 0.134 264 HA2 GLY 35 HA2 GLY 35 -0.184 -5.290 -1.418 265 HA3 GLY 35 HA3 GLY 35 0.632 -4.095 -0.427 266 H LEU 36 H LEU 36 -0.458 -4.849 2.079 267 HA LEU 36 HA LEU 36 1.249 -6.995 2.865 268 HB2 LEU 36 HB2 LEU 36 -0.986 -5.593 4.392 269 HB3 LEU 36 HB3 LEU 36 0.171 -6.701 5.119 270 HG LEU 36 HG LEU 36 0.860 -4.028 3.842 271 HD11 LEU 36 HD11 LEU 36 -0.369 -3.726 5.920 272 HD12 LEU 36 HD12 LEU 36 1.308 -3.221 6.093 273 HD13 LEU 36 HD13 LEU 36 0.779 -4.761 6.777 274 HD21 LEU 36 HD21 LEU 36 3.109 -4.346 4.750 275 HD22 LEU 36 HD22 LEU 36 2.697 -5.611 3.596 276 HD23 LEU 36 HD23 LEU 36 2.666 -5.956 5.330 277 H GLU 37 H GLU 37 -2.182 -6.777 2.076 278 HA GLU 37 HA GLU 37 -2.905 -9.405 2.972 279 HB2 GLU 37 HB2 GLU 37 -4.324 -7.661 0.923 280 HB3 GLU 37 HB3 GLU 37 -5.000 -9.070 1.734 281 HG2 GLU 37 HG2 GLU 37 -4.296 -6.402 2.965 282 HG3 GLU 37 HG3 GLU 37 -5.901 -7.083 2.732 283 H LYS 38 H LYS 38 -1.881 -8.034 -0.137 284 HA LYS 38 HA LYS 38 -2.050 -10.405 -1.698 285 HB2 LYS 38 HB2 LYS 38 -0.779 -7.708 -1.974 286 HB3 LYS 38 HB3 LYS 38 -0.030 -8.979 -2.922 287 HG2 LYS 38 HG2 LYS 38 -1.631 -7.767 -4.255 288 HG3 LYS 38 HG3 LYS 38 -2.161 -9.434 -4.040 289 HD2 LYS 38 HD2 LYS 38 -3.798 -8.713 -2.373 290 HD3 LYS 38 HD3 LYS 38 -3.225 -7.045 -2.498 291 HE2 LYS 38 HE2 LYS 38 -5.303 -7.383 -3.784 292 HE3 LYS 38 HE3 LYS 38 -3.969 -6.947 -4.847 293 HZ1 LYS 38 HZ1 LYS 38 -5.383 -8.758 -5.717 294 HZ2 LYS 38 HZ2 LYS 38 -4.924 -9.727 -4.411 295 HZ3 LYS 38 HZ3 LYS 38 -3.768 -9.232 -5.530 296 H ASN 39 H ASN 39 0.421 -8.991 0.350 297 HA ASN 39 HA ASN 39 2.640 -10.595 -0.303 298 HB2 ASN 39 HB2 ASN 39 2.652 -8.391 0.949 299 HB3 ASN 39 HB3 ASN 39 2.055 -9.232 2.369 300 HD21 ASN 39 HD21 ASN 39 4.456 -7.677 2.071 301 HD22 ASN 39 HD22 ASN 39 5.787 -8.711 2.444 302 H LYS 40 H LYS 40 0.149 -10.960 2.237 303 HA LYS 40 HA LYS 40 1.284 -13.348 3.368 304 HB2 LYS 40 HB2 LYS 40 -0.707 -13.460 4.774 305 HB3 LYS 40 HB3 LYS 40 -0.122 -11.803 4.708 306 HG2 LYS 40 HG2 LYS 40 -1.884 -11.264 3.054 307 HG3 LYS 40 HG3 LYS 40 -2.474 -12.921 3.160 308 HD2 LYS 40 HD2 LYS 40 -3.888 -11.496 4.512 309 HD3 LYS 40 HD3 LYS 40 -2.974 -12.559 5.581 310 HE2 LYS 40 HE2 LYS 40 -1.492 -10.754 6.201 311 HE3 LYS 40 HE3 LYS 40 -2.185 -9.693 4.971 312 HZ1 LYS 40 HZ1 LYS 40 -3.711 -10.784 7.280 313 HZ2 LYS 40 HZ2 LYS 40 -4.249 -9.634 6.159 314 HZ3 LYS 40 HZ3 LYS 40 -3.007 -9.249 7.238 315 H MET 41 H MET 41 -0.744 -12.783 0.633 316 HA MET 41 HA MET 41 -1.657 -15.565 0.434 317 HB2 MET 41 HB2 MET 41 -2.088 -13.134 -1.347 318 HB3 MET 41 HB3 MET 41 -2.648 -14.745 -1.783 319 HG2 MET 41 HG2 MET 41 -4.004 -14.784 0.308 320 HG3 MET 41 HG3 MET 41 -3.525 -13.114 0.605 321 HE1 MET 41 HE1 MET 41 -3.634 -11.836 -2.395 322 HE2 MET 41 HE2 MET 41 -4.271 -11.062 -0.940 323 HE3 MET 41 HE3 MET 41 -5.291 -11.232 -2.368 324 H GLY 42 H GLY 42 1.187 -13.974 -0.230 325 HA2 GLY 42 HA2 GLY 42 3.093 -14.690 -1.315 326 HA3 GLY 42 HA3 GLY 42 2.202 -16.054 -1.971 327 H LYS 43 H LYS 43 0.507 -13.249 -2.583 328 HA LYS 43 HA LYS 43 1.299 -13.131 -5.384 329 HB2 LYS 43 HB2 LYS 43 -0.845 -11.530 -3.907 330 HB3 LYS 43 HB3 LYS 43 -0.641 -11.635 -5.656 331 HG2 LYS 43 HG2 LYS 43 -1.129 -14.110 -5.481 332 HG3 LYS 43 HG3 LYS 43 -1.499 -13.856 -3.772 333 HD2 LYS 43 HD2 LYS 43 -3.306 -12.284 -4.401 334 HD3 LYS 43 HD3 LYS 43 -2.930 -12.529 -6.110 335 HE2 LYS 43 HE2 LYS 43 -4.830 -13.898 -5.637 336 HE3 LYS 43 HE3 LYS 43 -3.462 -15.000 -5.737 337 HZ1 LYS 43 HZ1 LYS 43 -3.354 -14.979 -3.289 338 HZ2 LYS 43 HZ2 LYS 43 -4.832 -15.559 -3.857 339 HZ3 LYS 43 HZ3 LYS 43 -4.729 -13.992 -3.243 340 H VAL 44 H VAL 44 3.448 -12.483 -4.336 341 HA VAL 44 HA VAL 44 3.919 -9.919 -3.240 342 HB VAL 44 HB VAL 44 5.853 -11.792 -4.691 343 HG11 VAL 44 HG11 VAL 44 7.648 -10.679 -3.427 344 HG12 VAL 44 HG12 VAL 44 6.478 -9.542 -2.753 345 HG13 VAL 44 HG13 VAL 44 6.806 -9.545 -4.487 346 HG21 VAL 44 HG21 VAL 44 4.755 -12.925 -2.803 347 HG22 VAL 44 HG22 VAL 44 5.228 -11.615 -1.718 348 HG23 VAL 44 HG23 VAL 44 6.464 -12.643 -2.453 349 H LYS 45 H LYS 45 3.661 -11.120 -6.505 350 HA LYS 45 HA LYS 45 4.713 -9.191 -8.159 351 HB2 LYS 45 HB2 LYS 45 2.099 -10.756 -8.379 352 HB3 LYS 45 HB3 LYS 45 2.737 -9.792 -9.706 353 HG2 LYS 45 HG2 LYS 45 4.215 -12.109 -8.421 354 HG3 LYS 45 HG3 LYS 45 3.222 -12.244 -9.880 355 HD2 LYS 45 HD2 LYS 45 4.684 -10.607 -11.024 356 HD3 LYS 45 HD3 LYS 45 5.662 -10.457 -9.562 357 HE2 LYS 45 HE2 LYS 45 6.399 -12.759 -9.756 358 HE3 LYS 45 HE3 LYS 45 5.302 -13.040 -11.114 359 HZ1 LYS 45 HZ1 LYS 45 7.656 -12.623 -11.743 360 HZ2 LYS 45 HZ2 LYS 45 7.497 -11.037 -11.179 361 HZ3 LYS 45 HZ3 LYS 45 6.556 -11.577 -12.474 362 H GLU 46 H GLU 46 1.429 -9.252 -6.815 363 HA GLU 46 HA GLU 46 0.730 -6.636 -7.756 364 HB2 GLU 46 HB2 GLU 46 -0.708 -8.405 -5.757 365 HB3 GLU 46 HB3 GLU 46 -1.379 -6.989 -6.557 366 HG2 GLU 46 HG2 GLU 46 -1.151 -8.169 -8.738 367 HG3 GLU 46 HG3 GLU 46 -0.582 -9.599 -7.870 368 H ALA 47 H ALA 47 1.786 -8.025 -4.681 369 HA ALA 47 HA ALA 47 1.143 -6.031 -2.862 370 HB1 ALA 47 HB1 ALA 47 3.600 -7.829 -2.824 371 HB2 ALA 47 HB2 ALA 47 2.001 -8.256 -2.209 372 HB3 ALA 47 HB3 ALA 47 2.922 -6.966 -1.435 373 H ILE 48 H ILE 48 4.075 -6.415 -4.833 374 HA ILE 48 HA ILE 48 5.563 -4.176 -4.127 375 HB ILE 48 HB ILE 48 5.301 -5.658 -6.781 376 HG12 ILE 48 HG12 ILE 48 7.511 -5.691 -4.675 377 HG13 ILE 48 HG13 ILE 48 6.265 -6.921 -4.857 378 HG21 ILE 48 HG21 ILE 48 7.380 -4.570 -7.549 379 HG22 ILE 48 HG22 ILE 48 7.361 -3.530 -6.126 380 HG23 ILE 48 HG23 ILE 48 6.078 -3.399 -7.328 381 HD11 ILE 48 HD11 ILE 48 8.390 -6.246 -6.885 382 HD12 ILE 48 HD12 ILE 48 7.131 -7.472 -7.071 383 HD13 ILE 48 HD13 ILE 48 8.353 -7.646 -5.814 384 H GLU 49 H GLU 49 3.088 -4.478 -6.708 385 HA GLU 49 HA GLU 49 3.268 -1.941 -7.851 386 HB2 GLU 49 HB2 GLU 49 0.737 -3.629 -7.587 387 HB3 GLU 49 HB3 GLU 49 0.988 -2.312 -8.731 388 HG2 GLU 49 HG2 GLU 49 2.755 -3.604 -9.843 389 HG3 GLU 49 HG3 GLU 49 2.529 -4.917 -8.686 390 H TYR 50 H TYR 50 1.296 -3.081 -5.152 391 HA TYR 50 HA TYR 50 -0.119 -0.657 -4.702 392 HB2 TYR 50 HB2 TYR 50 0.325 -3.123 -2.979 393 HB3 TYR 50 HB3 TYR 50 -0.668 -1.765 -2.472 394 HD1 TYR 50 HD2 TYR 50 -2.597 -1.056 -4.108 395 HD2 TYR 50 HD1 TYR 50 -0.688 -4.875 -4.186 396 HE1 TYR 50 HE2 TYR 50 -4.520 -2.000 -5.320 397 HE2 TYR 50 HE1 TYR 50 -2.599 -5.816 -5.389 398 HH TYR 50 HH TYR 50 -5.016 -3.908 -6.806 399 H PHE 51 H PHE 51 2.861 -2.024 -3.269 400 HA PHE 51 HA PHE 51 3.198 -0.000 -1.269 401 HB2 PHE 51 HB2 PHE 51 5.263 -1.850 -2.528 402 HB3 PHE 51 HB3 PHE 51 5.570 -0.839 -1.123 403 HD1 PHE 51 HD1 PHE 51 2.876 -1.371 0.308 404 HD2 PHE 51 HD2 PHE 51 5.736 -3.962 -1.555 405 HE1 PHE 51 HE1 PHE 51 2.194 -3.214 1.797 406 HE2 PHE 51 HE2 PHE 51 5.031 -5.800 -0.069 407 HZ PHE 51 HZ PHE 51 3.265 -5.423 1.604 408 H LEU 52 H LEU 52 4.019 -0.226 -4.650 409 HA LEU 52 HA LEU 52 5.950 1.919 -4.739 410 HB2 LEU 52 HB2 LEU 52 4.380 0.448 -6.890 411 HB3 LEU 52 HB3 LEU 52 5.442 1.791 -7.287 412 HG LEU 52 HG LEU 52 6.338 -0.800 -5.960 413 HD11 LEU 52 HD11 LEU 52 7.422 -1.339 -8.088 414 HD12 LEU 52 HD12 LEU 52 6.732 0.111 -8.826 415 HD13 LEU 52 HD13 LEU 52 5.675 -1.195 -8.281 416 HD21 LEU 52 HD21 LEU 52 7.723 1.112 -5.319 417 HD22 LEU 52 HD22 LEU 52 7.991 1.505 -7.019 418 HD23 LEU 52 HD23 LEU 52 8.606 -0.009 -6.349 419 H ARG 53 H ARG 53 2.520 1.580 -5.572 420 HA ARG 53 HA ARG 53 2.000 4.297 -6.233 421 HB2 ARG 53 HB2 ARG 53 0.115 2.099 -5.273 422 HB3 ARG 53 HB3 ARG 53 -0.407 3.645 -5.938 423 HG2 ARG 53 HG2 ARG 53 0.543 3.094 -8.102 424 HG3 ARG 53 HG3 ARG 53 1.230 1.599 -7.460 425 HD2 ARG 53 HD2 ARG 53 -1.099 0.810 -6.960 426 HD3 ARG 53 HD3 ARG 53 -1.722 2.266 -7.746 427 HE ARG 53 HE ARG 53 0.019 0.892 -9.508 428 HH11 ARG 53 HH11 ARG 53 -3.203 0.611 -8.108 429 HH12 ARG 53 HH12 ARG 53 -3.827 -0.326 -9.427 430 HH21 ARG 53 HH21 ARG 53 -0.811 -0.362 -11.219 431 HH22 ARG 53 HH22 ARG 53 -2.466 -0.873 -11.193 432 H ALA 54 H ALA 54 1.882 2.428 -3.233 433 HA ALA 54 HA ALA 54 0.545 4.244 -1.541 434 HB1 ALA 54 HB1 ALA 54 1.520 2.927 0.310 435 HB2 ALA 54 HB2 ALA 54 2.630 2.146 -0.823 436 HB3 ALA 54 HB3 ALA 54 0.891 1.872 -0.956 437 H LYS 55 H LYS 55 3.978 3.583 -2.053 438 HA LYS 55 HA LYS 55 5.108 5.495 -0.370 439 HB2 LYS 55 HB2 LYS 55 6.407 3.633 -1.315 440 HB3 LYS 55 HB3 LYS 55 6.191 4.264 -2.949 441 HG2 LYS 55 HG2 LYS 55 7.459 6.305 -2.272 442 HG3 LYS 55 HG3 LYS 55 7.742 5.564 -0.697 443 HD2 LYS 55 HD2 LYS 55 9.005 3.735 -1.801 444 HD3 LYS 55 HD3 LYS 55 8.708 4.500 -3.373 445 HE2 LYS 55 HE2 LYS 55 10.318 5.629 -1.061 446 HE3 LYS 55 HE3 LYS 55 10.920 5.121 -2.639 447 HZ1 LYS 55 HZ1 LYS 55 9.117 7.438 -2.114 448 HZ2 LYS 55 HZ2 LYS 55 9.612 6.928 -3.642 449 HZ3 LYS 55 HZ3 LYS 55 10.752 7.511 -2.546 450 H LYS 56 H LYS 56 4.123 5.656 -3.759 451 HA LYS 56 HA LYS 56 5.266 8.076 -4.547 452 HB2 LYS 56 HB2 LYS 56 4.121 6.241 -5.991 453 HB3 LYS 56 HB3 LYS 56 2.598 7.030 -5.597 454 HG2 LYS 56 HG2 LYS 56 3.291 7.829 -7.759 455 HG3 LYS 56 HG3 LYS 56 3.513 9.155 -6.610 456 HD2 LYS 56 HD2 LYS 56 5.926 8.646 -6.475 457 HD3 LYS 56 HD3 LYS 56 5.722 7.299 -7.599 458 HE2 LYS 56 HE2 LYS 56 6.632 9.203 -8.792 459 HE3 LYS 56 HE3 LYS 56 4.979 8.944 -9.343 460 HZ1 LYS 56 HZ1 LYS 56 4.243 10.756 -7.964 461 HZ2 LYS 56 HZ2 LYS 56 5.517 11.297 -8.934 462 HZ3 LYS 56 HZ3 LYS 56 5.785 10.953 -7.305 463 H VAL 57 H VAL 57 2.179 7.382 -2.979 464 HA VAL 57 HA VAL 57 1.166 10.071 -3.105 465 HB VAL 57 HB VAL 57 0.179 7.758 -1.372 466 HG11 VAL 57 HG11 VAL 57 -1.964 8.993 -1.342 467 HG12 VAL 57 HG12 VAL 57 -1.221 10.309 -2.256 468 HG13 VAL 57 HG13 VAL 57 -0.663 9.944 -0.622 469 HG21 VAL 57 HG21 VAL 57 -1.465 7.329 -3.155 470 HG22 VAL 57 HG22 VAL 57 0.178 7.156 -3.767 471 HG23 VAL 57 HG23 VAL 57 -0.746 8.607 -4.141 472 H PHE 58 H PHE 58 2.821 8.076 -0.650 473 HA PHE 58 HA PHE 58 2.736 9.966 1.473 474 HB2 PHE 58 HB2 PHE 58 4.645 7.655 0.931 475 HB3 PHE 58 HB3 PHE 58 4.765 8.660 2.370 476 HD1 PHE 58 HD2 PHE 58 2.152 9.014 3.420 477 HD2 PHE 58 HD1 PHE 58 3.729 5.552 1.442 478 HE1 PHE 58 HE2 PHE 58 0.526 7.581 4.595 479 HE2 PHE 58 HE1 PHE 58 2.093 4.138 2.632 480 HZ PHE 58 HZ PHE 58 0.499 5.154 4.208 481 H ASP 59 H ASP 59 4.829 9.642 -1.316 482 HA ASP 59 HA ASP 59 6.832 11.528 -0.585 483 HB2 ASP 59 HB2 ASP 59 5.874 10.685 -3.354 484 HB3 ASP 59 HB3 ASP 59 7.305 11.661 -3.052 485 H ALA 60 H ALA 60 3.694 11.794 -2.182 486 HA ALA 60 HA ALA 60 3.799 14.588 -2.801 487 HB1 ALA 60 HB1 ALA 60 1.406 12.722 -2.593 488 HB2 ALA 60 HB2 ALA 60 2.352 13.044 -4.047 489 HB3 ALA 60 HB3 ALA 60 1.391 14.334 -3.320 490 H GLU 61 H GLU 61 2.684 12.705 -0.065 491 HA GLU 61 HA GLU 61 1.539 14.888 1.439 492 HB2 GLU 61 HB2 GLU 61 2.374 12.074 2.256 493 HB3 GLU 61 HB3 GLU 61 1.516 13.198 3.304 494 HG2 GLU 61 HG2 GLU 61 0.455 12.104 0.687 495 HG3 GLU 61 HG3 GLU 61 0.051 11.487 2.288 496 H HIS 62 H HIS 62 4.672 13.842 0.770 497 HA HIS 62 HA HIS 62 6.741 14.292 1.457 498 HB2 HIS 62 HB2 HIS 62 5.464 16.480 3.151 499 HB3 HIS 62 HB3 HIS 62 7.197 16.295 2.903 500 HD1 HIS 62 HD1 HIS 62 4.784 18.479 1.843 501 HD2 HIS 62 HD2 HIS 62 7.445 16.096 -0.287 502 HE1 HIS 62 HE1 HIS 62 5.023 19.567 -0.409 503 HE2 HIS 62 HE2 HIS 62 6.539 18.048 -1.707 504 H ASP 63 H ASP 63 4.798 12.488 3.037 505 HA ASP 63 HA ASP 63 6.266 12.093 5.528 506 HB2 ASP 63 HB2 ASP 63 4.149 10.390 4.125 507 HB3 ASP 63 HB3 ASP 63 4.924 9.922 5.637 508 H THR 64 H THR 64 8.389 11.974 4.548 509 HA THR 64 HA THR 64 9.133 9.931 2.732 510 HB THR 64 HB THR 64 10.601 11.863 3.046 511 HG1 THR 64 HG1 THR 64 11.398 9.515 2.650 512 HG21 THR 64 HG21 THR 64 11.145 10.774 5.826 513 HG22 THR 64 HG22 THR 64 10.336 12.293 5.436 514 HG23 THR 64 HG23 THR 64 12.043 12.083 5.051 515 H ASP 65 H ASP 65 8.618 9.953 6.171 516 HA ASP 65 HA ASP 65 9.978 7.587 6.926 517 HB2 ASP 65 HB2 ASP 65 7.448 8.708 8.221 518 HB3 ASP 65 HB3 ASP 65 8.674 7.691 8.976 519 H GLY 66 H GLY 66 6.555 8.169 6.105 520 HA2 GLY 66 HA2 GLY 66 5.660 5.486 6.147 521 HA3 GLY 66 HA3 GLY 66 4.871 6.829 5.342 522 H ALA 67 H ALA 67 7.104 7.464 3.646 523 HA ALA 67 HA ALA 67 6.611 5.750 1.421 524 HB1 ALA 67 HB1 ALA 67 7.047 8.153 1.172 525 HB2 ALA 67 HB2 ALA 67 8.211 7.204 0.248 526 HB3 ALA 67 HB3 ALA 67 8.690 7.933 1.784 527 H ARG 68 H ARG 68 9.322 6.125 3.689 528 HA ARG 68 HA ARG 68 11.101 4.259 2.420 529 HB2 ARG 68 HB2 ARG 68 11.090 5.475 5.216 530 HB3 ARG 68 HB3 ARG 68 12.348 4.379 4.649 531 HG2 ARG 68 HG2 ARG 68 13.042 5.962 2.939 532 HG3 ARG 68 HG3 ARG 68 11.699 7.037 3.330 533 HD2 ARG 68 HD2 ARG 68 13.743 7.910 4.316 534 HD3 ARG 68 HD3 ARG 68 12.661 7.367 5.603 535 HE ARG 68 HE ARG 68 14.577 5.378 4.765 536 HH11 ARG 68 HH11 ARG 68 14.087 8.111 6.961 537 HH12 ARG 68 HH12 ARG 68 15.324 7.590 8.060 538 HH21 ARG 68 HH21 ARG 68 16.181 4.721 6.216 539 HH22 ARG 68 HH22 ARG 68 16.512 5.660 7.637 540 H ARG 69 H ARG 69 8.607 4.075 4.871 541 HA ARG 69 HA ARG 69 9.026 1.430 5.798 542 HB2 ARG 69 HB2 ARG 69 7.597 3.089 6.958 543 HB3 ARG 69 HB3 ARG 69 6.476 3.090 5.602 544 HG2 ARG 69 HG2 ARG 69 6.062 0.622 6.088 545 HG3 ARG 69 HG3 ARG 69 6.998 0.843 7.568 546 HD2 ARG 69 HD2 ARG 69 4.574 1.012 7.990 547 HD3 ARG 69 HD3 ARG 69 5.405 2.532 8.352 548 HE ARG 69 HE ARG 69 4.159 2.189 5.712 549 HH11 ARG 69 HH11 ARG 69 4.056 3.780 8.856 550 HH12 ARG 69 HH12 ARG 69 2.932 4.991 8.326 551 HH21 ARG 69 HH21 ARG 69 2.703 3.789 5.047 552 HH22 ARG 69 HH22 ARG 69 2.168 4.993 6.177 553 H ALA 70 H ALA 70 7.049 2.781 3.158 554 HA ALA 70 HA ALA 70 5.979 0.331 2.181 555 HB1 ALA 70 HB1 ALA 70 4.955 2.496 1.643 556 HB2 ALA 70 HB2 ALA 70 5.378 1.627 0.165 557 HB3 ALA 70 HB3 ALA 70 6.388 2.966 0.723 558 H ALA 71 H ALA 71 8.882 2.206 1.435 559 HA ALA 71 HA ALA 71 9.861 0.589 -0.693 560 HB1 ALA 71 HB1 ALA 71 11.380 2.484 1.128 561 HB2 ALA 71 HB2 ALA 71 10.574 2.922 -0.379 562 HB3 ALA 71 HB3 ALA 71 11.959 1.830 -0.411 563 H LYS 72 H LYS 72 10.118 0.394 2.800 564 HA LYS 72 HA LYS 72 12.206 -1.551 2.952 565 HB2 LYS 72 HB2 LYS 72 11.701 -0.208 4.914 566 HB3 LYS 72 HB3 LYS 72 10.021 -0.742 4.925 567 HG2 LYS 72 HG2 LYS 72 10.718 -3.016 5.515 568 HG3 LYS 72 HG3 LYS 72 12.415 -2.544 5.429 569 HD2 LYS 72 HD2 LYS 72 12.157 -1.080 7.357 570 HD3 LYS 72 HD3 LYS 72 10.411 -1.352 7.377 571 HE2 LYS 72 HE2 LYS 72 11.545 -2.679 9.117 572 HE3 LYS 72 HE3 LYS 72 10.770 -3.723 7.923 573 HZ1 LYS 72 HZ1 LYS 72 12.918 -4.073 6.873 574 HZ2 LYS 72 HZ2 LYS 72 12.994 -4.502 8.507 575 HZ3 LYS 72 HZ3 LYS 72 13.671 -3.043 7.985 576 H SER 73 H SER 73 8.644 -1.736 2.989 577 HA SER 73 HA SER 73 8.352 -4.528 3.159 578 HB2 SER 73 HB2 SER 73 6.561 -2.428 1.877 579 HB3 SER 73 HB3 SER 73 6.061 -4.085 2.225 580 HG SER 73 HG SER 73 7.187 -2.651 4.318 581 H LEU 74 H LEU 74 8.822 -2.372 0.398 582 HA LEU 74 HA LEU 74 8.715 -4.250 -1.708 583 HB2 LEU 74 HB2 LEU 74 10.100 -1.568 -1.376 584 HB3 LEU 74 HB3 LEU 74 10.230 -2.476 -2.871 585 HG LEU 74 HG LEU 74 7.553 -1.684 -1.695 586 HD11 LEU 74 HD11 LEU 74 8.790 0.371 -2.104 587 HD12 LEU 74 HD12 LEU 74 7.468 0.180 -3.255 588 HD13 LEU 74 HD13 LEU 74 9.132 -0.142 -3.760 589 HD21 LEU 74 HD21 LEU 74 8.374 -2.567 -4.471 590 HD22 LEU 74 HD22 LEU 74 6.750 -2.069 -3.981 591 HD23 LEU 74 HD23 LEU 74 7.474 -3.515 -3.283 592 H SER 75 H SER 75 11.388 -3.142 0.336 593 HA SER 75 HA SER 75 13.524 -4.395 -0.996 594 HB2 SER 75 HB2 SER 75 13.763 -2.553 0.679 595 HB3 SER 75 HB3 SER 75 13.293 -3.654 1.969 596 HG SER 75 HG SER 75 15.180 -4.903 1.411 597 H GLU 76 H GLU 76 11.326 -5.571 1.511 598 HA GLU 76 HA GLU 76 12.605 -8.115 1.938 599 HB2 GLU 76 HB2 GLU 76 9.723 -7.298 2.511 600 HB3 GLU 76 HB3 GLU 76 10.578 -8.659 3.224 601 HG2 GLU 76 HG2 GLU 76 11.301 -5.741 3.653 602 HG3 GLU 76 HG3 GLU 76 10.305 -6.694 4.744 603 H ALA 77 H ALA 77 10.057 -6.861 -0.142 604 HA ALA 77 HA ALA 77 8.850 -9.329 -0.897 605 HB1 ALA 77 HB1 ALA 77 7.614 -7.925 -2.522 606 HB2 ALA 77 HB2 ALA 77 8.705 -6.575 -2.199 607 HB3 ALA 77 HB3 ALA 77 7.644 -7.184 -0.925 608 H TYR 78 H TYR 78 11.199 -7.174 -2.525 609 HA TYR 78 HA TYR 78 11.229 -8.383 -5.061 610 HB2 TYR 78 HB2 TYR 78 13.126 -6.528 -3.607 611 HB3 TYR 78 HB3 TYR 78 13.597 -7.186 -5.161 612 HD1 TYR 78 HD2 TYR 78 11.712 -6.912 -7.076 613 HD2 TYR 78 HD1 TYR 78 12.060 -4.442 -3.613 614 HE1 TYR 78 HE2 TYR 78 10.481 -5.118 -8.226 615 HE2 TYR 78 HE1 TYR 78 10.845 -2.651 -4.750 616 HH TYR 78 HH TYR 78 9.209 -3.142 -7.756 617 H GLN 79 H GLN 79 13.023 -9.167 -2.150 618 HA GLN 79 HA GLN 79 15.012 -10.895 -3.167 619 HB2 GLN 79 HB2 GLN 79 13.531 -11.088 -0.503 620 HB3 GLN 79 HB3 GLN 79 15.091 -11.820 -0.865 621 HG2 GLN 79 HG2 GLN 79 16.173 -9.679 -0.954 622 HG3 GLN 79 HG3 GLN 79 14.629 -8.824 -0.924 623 HE21 GLN 79 HE21 GLN 79 16.930 -8.563 0.916 624 HE22 GLN 79 HE22 GLN 79 16.306 -8.903 2.489 625 H LYS 80 H LYS 80 11.663 -11.409 -2.249 626 HA LYS 80 HA LYS 80 11.644 -14.277 -2.474 627 HB2 LYS 80 HB2 LYS 80 9.351 -12.277 -2.195 628 HB3 LYS 80 HB3 LYS 80 9.222 -14.025 -1.972 629 HG2 LYS 80 HG2 LYS 80 10.724 -13.938 -0.045 630 HG3 LYS 80 HG3 LYS 80 10.999 -12.211 -0.301 631 HD2 LYS 80 HD2 LYS 80 8.627 -11.757 0.197 632 HD3 LYS 80 HD3 LYS 80 8.337 -13.483 0.437 633 HE2 LYS 80 HE2 LYS 80 8.598 -12.335 2.586 634 HE3 LYS 80 HE3 LYS 80 9.918 -13.477 2.339 635 HZ1 LYS 80 HZ1 LYS 80 10.782 -11.428 3.205 636 HZ2 LYS 80 HZ2 LYS 80 10.041 -10.528 1.989 637 HZ3 LYS 80 HZ3 LYS 80 11.302 -11.579 1.606 638 H VAL 81 H VAL 81 10.856 -11.578 -4.566 639 HA VAL 81 HA VAL 81 9.399 -12.898 -6.607 640 HB VAL 81 HB VAL 81 11.246 -10.466 -6.859 641 HG11 VAL 81 HG11 VAL 81 9.944 -9.858 -8.867 642 HG12 VAL 81 HG12 VAL 81 9.004 -11.346 -8.725 643 HG13 VAL 81 HG13 VAL 81 10.731 -11.424 -9.082 644 HG21 VAL 81 HG21 VAL 81 9.475 -10.169 -5.169 645 HG22 VAL 81 HG22 VAL 81 8.252 -10.573 -6.376 646 HG23 VAL 81 HG23 VAL 81 9.227 -9.115 -6.562 647 H GLU 82 H GLU 82 12.839 -12.539 -5.988 648 HA GLU 82 HA GLU 82 13.690 -13.893 -8.415 649 HB2 GLU 82 HB2 GLU 82 15.282 -13.108 -5.935 650 HB3 GLU 82 HB3 GLU 82 15.963 -13.657 -7.462 651 HG2 GLU 82 HG2 GLU 82 15.191 -11.639 -8.578 652 HG3 GLU 82 HG3 GLU 82 14.370 -11.100 -7.111 653 H GLY 83 H GLY 83 12.156 -15.742 -7.761 654 HA2 GLY 83 HA2 GLY 83 13.104 -17.607 -5.715 655 HA3 GLY 83 HA3 GLY 83 11.689 -17.789 -6.746 656 H SER 84 H SER 84 15.054 -17.165 -7.682 657 HA SER 84 HA SER 84 14.976 -19.136 -9.789 658 HB2 SER 84 HB2 SER 84 17.325 -18.295 -10.222 659 HB3 SER 84 HB3 SER 84 16.117 -17.015 -10.175 660 HG SER 84 HG SER 84 17.552 -17.723 -7.858 661 H GLY 85 H GLY 85 16.752 -20.735 -10.065 662 HA2 GLY 85 HA2 GLY 85 18.061 -22.509 -9.359 663 HA3 GLY 85 HA3 GLY 85 18.019 -21.890 -7.711 664 H ASP 86 H ASP 86 15.655 -21.916 -6.795 665 HA ASP 86 HA ASP 86 14.609 -24.558 -6.721 666 HB2 ASP 86 HB2 ASP 86 14.366 -22.946 -4.823 667 HB3 ASP 86 HB3 ASP 86 13.332 -21.927 -5.818 668 H LYS 87 H LYS 87 13.666 -25.431 -8.484 669 HA LYS 87 HA LYS 87 12.163 -23.861 -10.419 670 HB2 LYS 87 HB2 LYS 87 13.604 -25.720 -11.191 671 HB3 LYS 87 HB3 LYS 87 12.681 -26.865 -10.227 672 HG2 LYS 87 HG2 LYS 87 12.044 -27.040 -12.574 673 HG3 LYS 87 HG3 LYS 87 10.685 -26.444 -11.616 674 HD2 LYS 87 HD2 LYS 87 11.233 -24.115 -12.362 675 HD3 LYS 87 HD3 LYS 87 12.520 -24.768 -13.380 676 HE2 LYS 87 HE2 LYS 87 10.825 -26.060 -14.650 677 HE3 LYS 87 HE3 LYS 87 9.556 -25.361 -13.638 678 HZ1 LYS 87 HZ1 LYS 87 9.789 -24.192 -15.749 679 HZ2 LYS 87 HZ2 LYS 87 11.394 -23.810 -15.384 680 HZ3 LYS 87 HZ3 LYS 87 10.143 -23.172 -14.449 681 H GLY 88 H GLY 88 10.165 -23.251 -9.920 682 HA2 GLY 88 HA2 GLY 88 8.452 -24.527 -8.002 683 HA3 GLY 88 HA3 GLY 88 8.031 -23.199 -9.074 684 H LYS 89 H LYS 89 7.048 -26.146 -8.331 685 HA LYS 89 HA LYS 89 6.894 -27.459 -10.889 686 HB2 LYS 89 HB2 LYS 89 5.514 -28.104 -8.246 687 HB3 LYS 89 HB3 LYS 89 5.371 -29.083 -9.698 688 HG2 LYS 89 HG2 LYS 89 6.995 -30.213 -8.453 689 HG3 LYS 89 HG3 LYS 89 7.948 -29.291 -9.613 690 HD2 LYS 89 HD2 LYS 89 9.027 -29.117 -7.464 691 HD3 LYS 89 HD3 LYS 89 8.306 -27.542 -7.815 692 HE2 LYS 89 HE2 LYS 89 6.326 -28.250 -6.380 693 HE3 LYS 89 HE3 LYS 89 7.255 -29.686 -5.946 694 HZ1 LYS 89 HZ1 LYS 89 8.055 -26.873 -5.396 695 HZ2 LYS 89 HZ2 LYS 89 8.986 -28.235 -5.062 696 HZ3 LYS 89 HZ3 LYS 89 7.522 -28.012 -4.260 697 H ILE 90 H ILE 90 5.680 -26.635 -12.419 698 HA ILE 90 HA ILE 90 3.257 -25.121 -12.025 699 HB ILE 90 HB ILE 90 3.173 -25.103 -14.550 700 HG12 ILE 90 HG12 ILE 90 5.671 -26.850 -14.288 701 HG13 ILE 90 HG13 ILE 90 4.150 -27.292 -15.046 702 HG21 ILE 90 HG21 ILE 90 5.186 -23.713 -14.871 703 HG22 ILE 90 HG22 ILE 90 5.863 -24.332 -13.365 704 HG23 ILE 90 HG23 ILE 90 4.398 -23.348 -13.332 705 HD11 ILE 90 HD11 ILE 90 6.120 -25.246 -16.082 706 HD12 ILE 90 HD12 ILE 90 4.568 -25.640 -16.824 707 HD13 ILE 90 HD13 ILE 90 5.827 -26.865 -16.720 708 H PHE 91 H PHE 91 3.726 -28.295 -11.650 709 HA PHE 91 HA PHE 91 1.483 -29.493 -12.919 710 HB2 PHE 91 HB2 PHE 91 3.008 -30.337 -10.411 711 HB3 PHE 91 HB3 PHE 91 1.878 -31.351 -11.301 712 HD1 PHE 91 HD2 PHE 91 2.431 -31.996 -13.693 713 HD2 PHE 91 HD1 PHE 91 5.301 -30.186 -11.089 714 HE1 PHE 91 HE2 PHE 91 4.249 -32.741 -15.171 715 HE2 PHE 91 HE1 PHE 91 7.114 -30.940 -12.566 716 HZ PHE 91 HZ PHE 91 6.595 -32.217 -14.609 717 H GLN 92 H GLN 92 -0.280 -28.202 -12.593 718 HA GLN 92 HA GLN 92 -1.325 -27.703 -9.859 719 HB2 GLN 92 HB2 GLN 92 -2.557 -25.781 -10.981 720 HB3 GLN 92 HB3 GLN 92 -0.805 -25.617 -10.958 721 HG2 GLN 92 HG2 GLN 92 -0.676 -26.312 -13.303 722 HG3 GLN 92 HG3 GLN 92 -2.414 -26.581 -13.338 723 HE21 GLN 92 HE21 GLN 92 -3.799 -24.815 -13.507 724 HE22 GLN 92 HE22 GLN 92 -3.237 -23.224 -13.889 725 H LYS 93 H LYS 93 -1.662 -30.048 -11.793 726 HA LYS 93 HA LYS 93 -3.189 -31.519 -12.526 727 HB2 LYS 93 HB2 LYS 93 -4.220 -31.396 -10.292 728 HB3 LYS 93 HB3 LYS 93 -5.138 -29.970 -10.752 729 HG2 LYS 93 HG2 LYS 93 -6.371 -31.372 -12.432 730 HG3 LYS 93 HG3 LYS 93 -5.509 -32.790 -11.829 731 HD2 LYS 93 HD2 LYS 93 -6.531 -32.499 -9.611 732 HD3 LYS 93 HD3 LYS 93 -7.318 -31.010 -10.143 733 HE2 LYS 93 HE2 LYS 93 -8.929 -32.836 -10.143 734 HE3 LYS 93 HE3 LYS 93 -8.620 -32.327 -11.802 735 HZ1 LYS 93 HZ1 LYS 93 -7.369 -34.688 -10.488 736 HZ2 LYS 93 HZ2 LYS 93 -7.177 -34.223 -12.102 737 HZ3 LYS 93 HZ3 LYS 93 -8.683 -34.745 -11.552 738 H GLU 94 H GLU 94 -2.880 -30.795 -14.627 739 HA GLU 94 HA GLU 94 -4.419 -28.636 -15.788 740 HB2 GLU 94 HB2 GLU 94 -2.684 -30.723 -17.191 741 HB3 GLU 94 HB3 GLU 94 -3.326 -29.263 -17.924 742 HG2 GLU 94 HG2 GLU 94 -1.043 -28.813 -17.494 743 HG3 GLU 94 HG3 GLU 94 -1.929 -27.944 -16.244 744 H GLY 95 H GLY 95 -6.536 -29.335 -15.308 745 HA2 GLY 95 HA2 GLY 95 -7.588 -31.877 -16.102 746 HA3 GLY 95 HA3 GLY 95 -8.490 -30.520 -15.455 747 H GLU 96 H GLU 96 -8.014 -32.398 -18.145 748 HA GLU 96 HA GLU 96 -9.136 -30.400 -20.036 749 HB2 GLU 96 HB2 GLU 96 -7.386 -32.840 -20.604 750 HB3 GLU 96 HB3 GLU 96 -8.051 -31.762 -21.831 751 HG2 GLU 96 HG2 GLU 96 -6.692 -29.912 -21.010 752 HG3 GLU 96 HG3 GLU 96 -6.109 -30.895 -19.665 753 H SER 97 H SER 97 -10.523 -32.212 -18.109 754 HA SER 97 HA SER 97 -11.756 -34.343 -19.625 755 HB2 SER 97 HB2 SER 97 -12.357 -33.213 -16.863 756 HB3 SER 97 HB3 SER 97 -13.112 -34.660 -17.536 757 HG SER 97 HG SER 97 -11.466 -35.600 -16.631 758 H ILE 98 H ILE 98 -12.210 -31.155 -20.019 759 HA ILE 98 HA ILE 98 -15.153 -31.277 -20.329 760 HB ILE 98 HB ILE 98 -15.127 -28.802 -20.420 761 HG12 ILE 98 HG12 ILE 98 -12.130 -29.000 -19.842 762 HG13 ILE 98 HG13 ILE 98 -12.844 -28.471 -21.360 763 HG21 ILE 98 HG21 ILE 98 -13.729 -29.904 -17.959 764 HG22 ILE 98 HG22 ILE 98 -15.471 -29.893 -18.252 765 HG23 ILE 98 HG23 ILE 98 -14.602 -28.372 -18.046 766 HD11 ILE 98 HD11 ILE 98 -13.816 -26.527 -20.227 767 HD12 ILE 98 HD12 ILE 98 -12.061 -26.581 -20.073 768 HD13 ILE 98 HD13 ILE 98 -13.074 -27.042 -18.707 769 H LEU 99 H LEU 99 -16.108 -30.800 -22.276 770 HA LEU 99 HA LEU 99 -14.425 -30.550 -24.688 771 HB2 LEU 99 HB2 LEU 99 -16.569 -31.114 -25.920 772 HB3 LEU 99 HB3 LEU 99 -15.911 -32.378 -24.904 773 HG LEU 99 HG LEU 99 -17.665 -31.641 -23.126 774 HD11 LEU 99 HD11 LEU 99 -19.723 -30.606 -23.946 775 HD12 LEU 99 HD12 LEU 99 -18.971 -30.324 -25.519 776 HD13 LEU 99 HD13 LEU 99 -18.352 -29.507 -24.082 777 HD21 LEU 99 HD21 LEU 99 -18.629 -32.961 -25.679 778 HD22 LEU 99 HD22 LEU 99 -19.413 -33.061 -24.099 779 HD23 LEU 99 HD23 LEU 99 -17.811 -33.757 -24.332 780 H GLU 100 H GLU 100 -16.107 -28.627 -22.547 781 HA GLU 100 HA GLU 100 -17.099 -26.586 -24.300 782 HB2 GLU 100 HB2 GLU 100 -16.570 -26.693 -21.303 783 HB3 GLU 100 HB3 GLU 100 -17.130 -25.222 -22.091 784 HG2 GLU 100 HG2 GLU 100 -18.600 -27.872 -22.065 785 HG3 GLU 100 HG3 GLU 100 -18.964 -26.484 -21.041 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -11.858 -12.075 11.859 2 H2 GLY 1 H2 GLY 1 -10.295 -11.605 12.304 3 H3 GLY 1 H3 GLY 1 -10.525 -12.987 11.358 4 HA2 GLY 1 HA2 GLY 1 -11.155 -10.212 10.517 5 HA3 GLY 1 HA3 GLY 1 -9.719 -11.108 10.043 6 H GLY 2 H GLY 2 -9.883 -11.944 8.043 7 HA2 GLY 2 HA2 GLY 2 -11.896 -13.748 7.232 8 HA3 GLY 2 HA3 GLY 2 -12.209 -12.172 6.498 9 H SER 3 H SER 3 -11.872 -13.635 4.567 10 HA SER 3 HA SER 3 -9.352 -14.586 3.767 11 HB2 SER 3 HB2 SER 3 -11.583 -13.506 1.991 12 HB3 SER 3 HB3 SER 3 -10.308 -14.621 1.496 13 HG SER 3 HG SER 3 -12.663 -15.239 2.452 14 HA PRO 4 HA PRO 4 -6.929 -10.865 3.421 15 HB2 PRO 4 HB2 PRO 4 -5.667 -12.090 0.966 16 HB3 PRO 4 HB3 PRO 4 -4.898 -11.428 2.426 17 HG2 PRO 4 HG2 PRO 4 -5.048 -14.048 2.132 18 HG3 PRO 4 HG3 PRO 4 -5.378 -13.315 3.719 19 HD2 PRO 4 HD2 PRO 4 -7.350 -14.370 1.693 20 HD3 PRO 4 HD3 PRO 4 -7.350 -14.536 3.466 21 H ASP 5 H ASP 5 -8.138 -11.942 0.206 22 HA ASP 5 HA ASP 5 -8.064 -9.301 -0.935 23 HB2 ASP 5 HB2 ASP 5 -9.440 -11.821 -1.935 24 HB3 ASP 5 HB3 ASP 5 -9.357 -10.313 -2.847 25 H GLU 6 H GLU 6 -10.447 -11.095 0.853 26 HA GLU 6 HA GLU 6 -12.686 -9.366 0.435 27 HB2 GLU 6 HB2 GLU 6 -12.937 -11.653 1.307 28 HB3 GLU 6 HB3 GLU 6 -11.963 -11.255 2.714 29 HG2 GLU 6 HG2 GLU 6 -13.769 -9.581 3.345 30 HG3 GLU 6 HG3 GLU 6 -14.757 -10.284 2.064 31 H ASN 7 H ASN 7 -9.998 -9.488 2.768 32 HA ASN 7 HA ASN 7 -10.767 -7.338 4.452 33 HB2 ASN 7 HB2 ASN 7 -7.932 -8.315 3.856 34 HB3 ASN 7 HB3 ASN 7 -8.418 -7.338 5.239 35 HD21 ASN 7 HD21 ASN 7 -7.100 -9.922 5.178 36 HD22 ASN 7 HD22 ASN 7 -8.099 -11.016 6.068 37 H ILE 8 H ILE 8 -8.905 -7.542 1.460 38 HA ILE 8 HA ILE 8 -8.077 -4.869 1.173 39 HB ILE 8 HB ILE 8 -8.714 -7.022 -0.889 40 HG12 ILE 8 HG12 ILE 8 -6.032 -5.903 0.033 41 HG13 ILE 8 HG13 ILE 8 -6.770 -7.366 0.674 42 HG21 ILE 8 HG21 ILE 8 -7.554 -5.648 -2.604 43 HG22 ILE 8 HG22 ILE 8 -7.454 -4.313 -1.456 44 HG23 ILE 8 HG23 ILE 8 -9.029 -4.866 -2.025 45 HD11 ILE 8 HD11 ILE 8 -5.868 -6.919 -2.158 46 HD12 ILE 8 HD12 ILE 8 -6.667 -8.374 -1.557 47 HD13 ILE 8 HD13 ILE 8 -5.085 -7.915 -0.933 48 H ALA 9 H ALA 9 -11.057 -6.527 0.069 49 HA ALA 9 HA ALA 9 -12.285 -4.382 -1.248 50 HB1 ALA 9 HB1 ALA 9 -14.392 -5.629 -0.970 51 HB2 ALA 9 HB2 ALA 9 -13.632 -6.652 0.252 52 HB3 ALA 9 HB3 ALA 9 -13.074 -6.712 -1.422 53 H LYS 10 H LYS 10 -12.085 -5.158 2.156 54 HA LYS 10 HA LYS 10 -13.909 -3.152 3.107 55 HB2 LYS 10 HB2 LYS 10 -13.392 -5.246 4.352 56 HB3 LYS 10 HB3 LYS 10 -11.732 -4.700 4.569 57 HG2 LYS 10 HG2 LYS 10 -12.509 -2.814 5.941 58 HG3 LYS 10 HG3 LYS 10 -14.189 -3.308 5.686 59 HD2 LYS 10 HD2 LYS 10 -13.706 -5.477 6.836 60 HD3 LYS 10 HD3 LYS 10 -12.047 -4.943 7.114 61 HE2 LYS 10 HE2 LYS 10 -12.906 -3.060 8.486 62 HE3 LYS 10 HE3 LYS 10 -14.552 -3.648 8.229 63 HZ1 LYS 10 HZ1 LYS 10 -13.703 -4.385 10.352 64 HZ2 LYS 10 HZ2 LYS 10 -12.368 -5.113 9.616 65 HZ3 LYS 10 HZ3 LYS 10 -13.922 -5.721 9.337 66 H PHE 11 H PHE 11 -10.364 -3.390 2.677 67 HA PHE 11 HA PHE 11 -9.632 -0.917 3.864 68 HB2 PHE 11 HB2 PHE 11 -8.187 -2.581 1.751 69 HB3 PHE 11 HB3 PHE 11 -7.482 -1.153 2.502 70 HD1 PHE 11 HD2 PHE 11 -8.522 -1.691 5.359 71 HD2 PHE 11 HD1 PHE 11 -6.552 -4.199 2.492 72 HE1 PHE 11 HE2 PHE 11 -7.614 -3.073 7.175 73 HE2 PHE 11 HE1 PHE 11 -5.647 -5.570 4.327 74 HZ PHE 11 HZ PHE 11 -6.180 -5.008 6.665 75 H GLU 12 H GLU 12 -10.743 -1.795 0.663 76 HA GLU 12 HA GLU 12 -10.086 0.595 -0.722 77 HB2 GLU 12 HB2 GLU 12 -12.200 -1.515 -1.337 78 HB3 GLU 12 HB3 GLU 12 -11.762 -0.201 -2.423 79 HG2 GLU 12 HG2 GLU 12 -9.483 -1.072 -2.624 80 HG3 GLU 12 HG3 GLU 12 -9.854 -2.365 -1.485 81 H LYS 13 H LYS 13 -12.763 -0.317 1.359 82 HA LYS 13 HA LYS 13 -14.610 1.730 0.652 83 HB2 LYS 13 HB2 LYS 13 -14.243 0.286 3.318 84 HB3 LYS 13 HB3 LYS 13 -15.647 1.254 2.872 85 HG2 LYS 13 HG2 LYS 13 -16.196 -0.325 1.064 86 HG3 LYS 13 HG3 LYS 13 -14.759 -1.276 1.451 87 HD2 LYS 13 HD2 LYS 13 -16.763 -2.331 2.390 88 HD3 LYS 13 HD3 LYS 13 -15.687 -1.788 3.682 89 HE2 LYS 13 HE2 LYS 13 -18.047 -1.301 4.205 90 HE3 LYS 13 HE3 LYS 13 -17.121 0.192 4.045 91 HZ1 LYS 13 HZ1 LYS 13 -18.888 -0.990 1.961 92 HZ2 LYS 13 HZ2 LYS 13 -18.010 0.441 1.804 93 HZ3 LYS 13 HZ3 LYS 13 -19.261 0.343 2.934 94 H ALA 14 H ALA 14 -12.133 1.491 3.203 95 HA ALA 14 HA ALA 14 -12.369 4.136 4.221 96 HB1 ALA 14 HB1 ALA 14 -10.032 2.202 4.375 97 HB2 ALA 14 HB2 ALA 14 -11.365 2.310 5.524 98 HB3 ALA 14 HB3 ALA 14 -10.235 3.655 5.364 99 H TYR 15 H TYR 15 -10.508 2.670 1.623 100 HA TYR 15 HA TYR 15 -8.685 4.793 1.134 101 HB2 TYR 15 HB2 TYR 15 -8.073 2.596 0.387 102 HB3 TYR 15 HB3 TYR 15 -9.569 2.391 -0.513 103 HD1 TYR 15 HD2 TYR 15 -6.555 4.698 -0.452 104 HD2 TYR 15 HD1 TYR 15 -9.455 2.647 -2.853 105 HE1 TYR 15 HE2 TYR 15 -5.465 5.513 -2.479 106 HE2 TYR 15 HE1 TYR 15 -8.358 3.487 -4.876 107 HH TYR 15 HH TYR 15 -6.914 5.402 -5.516 108 H LYS 16 H LYS 16 -11.868 3.968 -0.296 109 HA LYS 16 HA LYS 16 -11.755 6.028 -2.297 110 HB2 LYS 16 HB2 LYS 16 -14.127 4.438 -1.222 111 HB3 LYS 16 HB3 LYS 16 -14.217 5.554 -2.578 112 HG2 LYS 16 HG2 LYS 16 -12.566 3.015 -2.477 113 HG3 LYS 16 HG3 LYS 16 -14.078 3.235 -3.353 114 HD2 LYS 16 HD2 LYS 16 -11.494 4.739 -3.919 115 HD3 LYS 16 HD3 LYS 16 -12.085 3.348 -4.829 116 HE2 LYS 16 HE2 LYS 16 -13.437 6.058 -4.612 117 HE3 LYS 16 HE3 LYS 16 -12.615 5.405 -6.025 118 HZ1 LYS 16 HZ1 LYS 16 -15.003 5.210 -6.215 119 HZ2 LYS 16 HZ2 LYS 16 -15.085 4.288 -4.803 120 HZ3 LYS 16 HZ3 LYS 16 -14.296 3.675 -6.171 121 H LYS 17 H LYS 17 -12.905 5.816 1.010 122 HA LYS 17 HA LYS 17 -14.198 8.364 1.054 123 HB2 LYS 17 HB2 LYS 17 -14.503 6.306 2.650 124 HB3 LYS 17 HB3 LYS 17 -13.105 6.927 3.506 125 HG2 LYS 17 HG2 LYS 17 -15.581 8.609 3.020 126 HG3 LYS 17 HG3 LYS 17 -15.445 7.535 4.405 127 HD2 LYS 17 HD2 LYS 17 -13.642 9.909 3.796 128 HD3 LYS 17 HD3 LYS 17 -14.908 9.850 5.023 129 HE2 LYS 17 HE2 LYS 17 -13.642 7.987 6.147 130 HE3 LYS 17 HE3 LYS 17 -12.335 8.241 4.986 131 HZ1 LYS 17 HZ1 LYS 17 -11.942 9.405 7.068 132 HZ2 LYS 17 HZ2 LYS 17 -13.376 10.277 6.880 133 HZ3 LYS 17 HZ3 LYS 17 -12.102 10.500 5.790 134 H ALA 18 H ALA 18 -10.964 7.163 1.646 135 HA ALA 18 HA ALA 18 -9.710 9.527 2.601 136 HB1 ALA 18 HB1 ALA 18 -8.737 7.284 2.824 137 HB2 ALA 18 HB2 ALA 18 -7.634 8.366 1.972 138 HB3 ALA 18 HB3 ALA 18 -8.562 7.163 1.073 139 H GLU 19 H GLU 19 -10.364 8.184 -0.607 140 HA GLU 19 HA GLU 19 -8.580 9.876 -2.102 141 HB2 GLU 19 HB2 GLU 19 -9.075 7.522 -2.752 142 HB3 GLU 19 HB3 GLU 19 -10.757 7.954 -3.044 143 HG2 GLU 19 HG2 GLU 19 -9.996 9.518 -4.855 144 HG3 GLU 19 HG3 GLU 19 -8.343 8.960 -4.594 145 H GLU 20 H GLU 20 -12.076 9.777 -1.500 146 HA GLU 20 HA GLU 20 -12.839 11.768 -3.385 147 HB2 GLU 20 HB2 GLU 20 -14.973 11.882 -2.172 148 HB3 GLU 20 HB3 GLU 20 -14.479 10.208 -2.398 149 HG2 GLU 20 HG2 GLU 20 -13.693 10.104 -0.079 150 HG3 GLU 20 HG3 GLU 20 -14.133 11.791 0.161 151 H LEU 21 H LEU 21 -11.702 11.921 -0.054 152 HA LEU 21 HA LEU 21 -11.933 14.835 0.120 153 HB2 LEU 21 HB2 LEU 21 -10.718 12.842 2.082 154 HB3 LEU 21 HB3 LEU 21 -11.101 14.526 2.414 155 HG LEU 21 HG LEU 21 -13.116 12.308 1.862 156 HD11 LEU 21 HD11 LEU 21 -12.564 13.829 4.425 157 HD12 LEU 21 HD12 LEU 21 -12.127 12.153 4.090 158 HD13 LEU 21 HD13 LEU 21 -13.824 12.613 4.181 159 HD21 LEU 21 HD21 LEU 21 -14.863 13.979 2.354 160 HD22 LEU 21 HD22 LEU 21 -13.943 14.382 0.909 161 HD23 LEU 21 HD23 LEU 21 -13.634 15.245 2.418 162 H ASN 22 H ASN 22 -9.742 12.544 -1.010 163 HA ASN 22 HA ASN 22 -7.772 12.599 -2.047 164 HB2 ASN 22 HB2 ASN 22 -8.739 14.742 -3.026 165 HB3 ASN 22 HB3 ASN 22 -7.834 15.640 -1.817 166 HD21 ASN 22 HD21 ASN 22 -6.675 12.769 -3.580 167 HD22 ASN 22 HD22 ASN 22 -5.417 13.598 -4.416 168 H GLN 23 H GLN 23 -7.985 12.586 0.925 169 HA GLN 23 HA GLN 23 -5.581 13.858 1.925 170 HB2 GLN 23 HB2 GLN 23 -7.511 11.933 3.292 171 HB3 GLN 23 HB3 GLN 23 -6.192 12.787 4.093 172 HG2 GLN 23 HG2 GLN 23 -7.259 14.952 3.545 173 HG3 GLN 23 HG3 GLN 23 -8.575 14.097 2.741 174 HE21 GLN 23 HE21 GLN 23 -10.103 15.036 4.116 175 HE22 GLN 23 HE22 GLN 23 -10.291 14.558 5.766 176 H GLY 24 H GLY 24 -3.779 13.054 1.136 177 HA2 GLY 24 HA2 GLY 24 -3.427 10.456 0.102 178 HA3 GLY 24 HA3 GLY 24 -2.180 11.664 0.333 179 H GLU 25 H GLU 25 -2.726 11.816 3.266 180 HA GLU 25 HA GLU 25 -0.859 9.963 4.234 181 HB2 GLU 25 HB2 GLU 25 -1.604 10.615 6.502 182 HB3 GLU 25 HB3 GLU 25 -1.394 12.016 5.462 183 HG2 GLU 25 HG2 GLU 25 -3.867 12.089 5.106 184 HG3 GLU 25 HG3 GLU 25 -4.043 10.745 6.230 185 H LEU 26 H LEU 26 -4.361 9.809 4.006 186 HA LEU 26 HA LEU 26 -4.747 7.337 5.412 187 HB2 LEU 26 HB2 LEU 26 -6.512 8.935 3.519 188 HB3 LEU 26 HB3 LEU 26 -7.064 7.518 4.397 189 HG LEU 26 HG LEU 26 -6.111 10.080 5.743 190 HD11 LEU 26 HD11 LEU 26 -8.159 10.500 4.443 191 HD12 LEU 26 HD12 LEU 26 -8.483 10.556 6.172 192 HD13 LEU 26 HD13 LEU 26 -8.957 9.137 5.233 193 HD21 LEU 26 HD21 LEU 26 -7.533 7.637 6.836 194 HD22 LEU 26 HD22 LEU 26 -7.163 9.105 7.746 195 HD23 LEU 26 HD23 LEU 26 -5.853 8.094 7.141 196 H MET 27 H MET 27 -4.672 8.331 1.970 197 HA MET 27 HA MET 27 -5.488 5.861 0.857 198 HB2 MET 27 HB2 MET 27 -3.925 8.116 -0.456 199 HB3 MET 27 HB3 MET 27 -4.679 6.783 -1.320 200 HG2 MET 27 HG2 MET 27 -6.891 7.562 -0.389 201 HG3 MET 27 HG3 MET 27 -6.058 9.000 0.202 202 HE1 MET 27 HE1 MET 27 -3.902 9.142 -2.366 203 HE2 MET 27 HE2 MET 27 -4.579 10.557 -1.555 204 HE3 MET 27 HE3 MET 27 -4.715 10.394 -3.305 205 H GLY 28 H GLY 28 -2.282 7.205 1.507 206 HA2 GLY 28 HA2 GLY 28 -0.687 5.294 0.196 207 HA3 GLY 28 HA3 GLY 28 -0.189 6.302 1.547 208 H ARG 29 H ARG 29 -1.878 5.462 3.545 209 HA ARG 29 HA ARG 29 -0.714 3.085 4.532 210 HB2 ARG 29 HB2 ARG 29 -3.279 4.488 5.409 211 HB3 ARG 29 HB3 ARG 29 -2.441 3.245 6.339 212 HG2 ARG 29 HG2 ARG 29 -0.527 4.684 6.684 213 HG3 ARG 29 HG3 ARG 29 -1.169 5.888 5.562 214 HD2 ARG 29 HD2 ARG 29 -1.513 6.642 7.848 215 HD3 ARG 29 HD3 ARG 29 -3.074 6.286 7.104 216 HE ARG 29 HE ARG 29 -1.905 4.135 8.685 217 HH11 ARG 29 HH11 ARG 29 -4.103 6.894 8.706 218 HH12 ARG 29 HH12 ARG 29 -4.959 6.358 10.115 219 HH21 ARG 29 HH21 ARG 29 -3.011 3.459 10.544 220 HH22 ARG 29 HH22 ARG 29 -4.338 4.394 11.167 221 H ALA 30 H ALA 30 -3.795 3.747 2.912 222 HA ALA 30 HA ALA 30 -5.073 1.258 3.317 223 HB1 ALA 30 HB1 ALA 30 -6.284 3.306 2.676 224 HB2 ALA 30 HB2 ALA 30 -6.621 1.990 1.550 225 HB3 ALA 30 HB3 ALA 30 -5.508 3.286 1.088 226 H LEU 31 H LEU 31 -3.298 2.524 0.482 227 HA LEU 31 HA LEU 31 -3.429 0.182 -1.116 228 HB2 LEU 31 HB2 LEU 31 -1.527 2.563 -1.206 229 HB3 LEU 31 HB3 LEU 31 -1.621 1.339 -2.466 230 HG LEU 31 HG LEU 31 -3.955 3.128 -1.664 231 HD11 LEU 31 HD11 LEU 31 -3.566 4.414 -3.690 232 HD12 LEU 31 HD12 LEU 31 -2.142 3.446 -4.071 233 HD13 LEU 31 HD13 LEU 31 -2.150 4.481 -2.643 234 HD21 LEU 31 HD21 LEU 31 -3.629 1.261 -4.035 235 HD22 LEU 31 HD22 LEU 31 -5.005 2.326 -3.729 236 HD23 LEU 31 HD23 LEU 31 -4.664 0.995 -2.627 237 H TYR 32 H TYR 32 -1.158 1.318 1.304 238 HA TYR 32 HA TYR 32 0.956 -0.505 0.914 239 HB2 TYR 32 HB2 TYR 32 1.142 1.548 2.305 240 HB3 TYR 32 HB3 TYR 32 0.029 0.866 3.482 241 HD1 TYR 32 HD2 TYR 32 3.397 0.352 1.927 242 HD2 TYR 32 HD1 TYR 32 0.885 -0.479 5.285 243 HE1 TYR 32 HE2 TYR 32 5.307 -0.624 3.116 244 HE2 TYR 32 HE1 TYR 32 2.808 -1.450 6.475 245 HH TYR 32 HH TYR 32 5.013 -2.538 5.819 246 H ASN 33 H ASN 33 -1.962 -0.662 3.014 247 HA ASN 33 HA ASN 33 -1.373 -3.239 4.098 248 HB2 ASN 33 HB2 ASN 33 -3.880 -1.531 4.142 249 HB3 ASN 33 HB3 ASN 33 -3.888 -3.169 4.796 250 HD21 ASN 33 HD21 ASN 33 -3.024 0.077 5.400 251 HD22 ASN 33 HD22 ASN 33 -2.273 -0.168 6.930 252 H ILE 34 H ILE 34 -3.321 -2.167 1.331 253 HA ILE 34 HA ILE 34 -4.453 -4.634 0.583 254 HB ILE 34 HB ILE 34 -3.544 -2.316 -1.195 255 HG12 ILE 34 HG12 ILE 34 -6.353 -3.037 -0.212 256 HG13 ILE 34 HG13 ILE 34 -5.353 -1.747 0.443 257 HG21 ILE 34 HG21 ILE 34 -3.652 -4.349 -2.562 258 HG22 ILE 34 HG22 ILE 34 -4.986 -3.274 -2.981 259 HG23 ILE 34 HG23 ILE 34 -5.279 -4.688 -1.970 260 HD11 ILE 34 HD11 ILE 34 -6.451 -1.867 -2.366 261 HD12 ILE 34 HD12 ILE 34 -5.432 -0.585 -1.707 262 HD13 ILE 34 HD13 ILE 34 -7.040 -0.859 -1.042 263 H GLY 35 H GLY 35 -1.324 -3.133 -0.153 264 HA2 GLY 35 HA2 GLY 35 -0.171 -5.070 -1.802 265 HA3 GLY 35 HA3 GLY 35 0.701 -3.942 -0.776 266 H LEU 36 H LEU 36 -0.081 -4.711 1.754 267 HA LEU 36 HA LEU 36 1.643 -6.824 2.399 268 HB2 LEU 36 HB2 LEU 36 -0.655 -5.656 4.020 269 HB3 LEU 36 HB3 LEU 36 0.550 -6.752 4.681 270 HG LEU 36 HG LEU 36 1.152 -3.984 3.567 271 HD11 LEU 36 HD11 LEU 36 -0.169 -3.847 5.616 272 HD12 LEU 36 HD12 LEU 36 1.479 -3.292 5.883 273 HD13 LEU 36 HD13 LEU 36 0.985 -4.887 6.456 274 HD21 LEU 36 HD21 LEU 36 3.380 -4.273 4.569 275 HD22 LEU 36 HD22 LEU 36 3.068 -5.476 3.321 276 HD23 LEU 36 HD23 LEU 36 2.970 -5.930 5.025 277 H GLU 37 H GLU 37 -1.861 -6.826 1.822 278 HA GLU 37 HA GLU 37 -2.406 -9.456 2.726 279 HB2 GLU 37 HB2 GLU 37 -3.894 -7.829 0.630 280 HB3 GLU 37 HB3 GLU 37 -4.511 -9.279 1.411 281 HG2 GLU 37 HG2 GLU 37 -3.934 -6.615 2.727 282 HG3 GLU 37 HG3 GLU 37 -5.519 -7.305 2.394 283 H LYS 38 H LYS 38 -1.766 -8.176 -0.568 284 HA LYS 38 HA LYS 38 -1.727 -10.638 -1.936 285 HB2 LYS 38 HB2 LYS 38 -0.497 -7.937 -2.512 286 HB3 LYS 38 HB3 LYS 38 -0.045 -9.306 -3.509 287 HG2 LYS 38 HG2 LYS 38 -1.735 -8.362 -4.755 288 HG3 LYS 38 HG3 LYS 38 -2.619 -9.599 -3.868 289 HD2 LYS 38 HD2 LYS 38 -3.487 -7.936 -2.328 290 HD3 LYS 38 HD3 LYS 38 -2.474 -6.679 -3.045 291 HE2 LYS 38 HE2 LYS 38 -4.716 -6.398 -3.889 292 HE3 LYS 38 HE3 LYS 38 -3.722 -6.993 -5.215 293 HZ1 LYS 38 HZ1 LYS 38 -5.616 -8.598 -3.568 294 HZ2 LYS 38 HZ2 LYS 38 -4.612 -9.232 -4.764 295 HZ3 LYS 38 HZ3 LYS 38 -5.828 -8.134 -5.185 296 H ASN 39 H ASN 39 0.750 -8.933 -0.129 297 HA ASN 39 HA ASN 39 3.054 -10.245 -1.098 298 HB2 ASN 39 HB2 ASN 39 3.057 -8.020 0.045 299 HB3 ASN 39 HB3 ASN 39 2.625 -8.799 1.563 300 HD21 ASN 39 HD21 ASN 39 5.164 -8.354 -0.813 301 HD22 ASN 39 HD22 ASN 39 6.464 -8.862 0.203 302 H LYS 40 H LYS 40 1.045 -10.799 1.794 303 HA LYS 40 HA LYS 40 2.656 -12.949 2.831 304 HB2 LYS 40 HB2 LYS 40 0.965 -13.163 4.566 305 HB3 LYS 40 HB3 LYS 40 1.287 -11.454 4.288 306 HG2 LYS 40 HG2 LYS 40 -0.783 -11.364 2.849 307 HG3 LYS 40 HG3 LYS 40 -1.125 -13.029 3.334 308 HD2 LYS 40 HD2 LYS 40 -1.218 -12.281 5.722 309 HD3 LYS 40 HD3 LYS 40 -0.945 -10.619 5.190 310 HE2 LYS 40 HE2 LYS 40 -3.046 -10.781 3.821 311 HE3 LYS 40 HE3 LYS 40 -3.334 -12.368 4.536 312 HZ1 LYS 40 HZ1 LYS 40 -3.106 -9.817 6.034 313 HZ2 LYS 40 HZ2 LYS 40 -3.422 -11.335 6.712 314 HZ3 LYS 40 HZ3 LYS 40 -4.550 -10.617 5.672 315 H MET 41 H MET 41 -0.047 -12.740 0.610 316 HA MET 41 HA MET 41 -0.801 -15.529 0.728 317 HB2 MET 41 HB2 MET 41 -1.507 -13.272 -1.190 318 HB3 MET 41 HB3 MET 41 -2.059 -14.921 -1.460 319 HG2 MET 41 HG2 MET 41 -3.164 -14.852 0.787 320 HG3 MET 41 HG3 MET 41 -2.735 -13.148 0.894 321 HE1 MET 41 HE1 MET 41 -3.189 -11.919 -1.924 322 HE2 MET 41 HE2 MET 41 -3.947 -11.221 -0.487 323 HE3 MET 41 HE3 MET 41 -4.913 -11.545 -1.922 324 H GLY 42 H GLY 42 1.766 -13.856 -0.756 325 HA2 GLY 42 HA2 GLY 42 3.511 -14.802 -2.001 326 HA3 GLY 42 HA3 GLY 42 2.493 -16.168 -2.434 327 H LYS 43 H LYS 43 0.665 -13.440 -2.854 328 HA LYS 43 HA LYS 43 1.059 -13.314 -5.760 329 HB2 LYS 43 HB2 LYS 43 -0.930 -11.782 -4.013 330 HB3 LYS 43 HB3 LYS 43 -1.012 -12.025 -5.756 331 HG2 LYS 43 HG2 LYS 43 -1.395 -14.431 -5.417 332 HG3 LYS 43 HG3 LYS 43 -1.283 -14.204 -3.668 333 HD2 LYS 43 HD2 LYS 43 -3.261 -12.638 -3.810 334 HD3 LYS 43 HD3 LYS 43 -3.410 -13.051 -5.521 335 HE2 LYS 43 HE2 LYS 43 -3.773 -15.421 -4.897 336 HE3 LYS 43 HE3 LYS 43 -3.651 -14.984 -3.193 337 HZ1 LYS 43 HZ1 LYS 43 -5.946 -15.158 -3.918 338 HZ2 LYS 43 HZ2 LYS 43 -5.699 -13.949 -5.078 339 HZ3 LYS 43 HZ3 LYS 43 -5.583 -13.579 -3.431 340 H VAL 44 H VAL 44 3.292 -12.495 -4.861 341 HA VAL 44 HA VAL 44 3.391 -10.002 -3.473 342 HB VAL 44 HB VAL 44 5.711 -11.602 -4.645 343 HG11 VAL 44 HG11 VAL 44 5.640 -9.546 -2.413 344 HG12 VAL 44 HG12 VAL 44 6.368 -9.335 -4.009 345 HG13 VAL 44 HG13 VAL 44 7.050 -10.504 -2.876 346 HG21 VAL 44 HG21 VAL 44 4.460 -11.825 -1.880 347 HG22 VAL 44 HG22 VAL 44 5.919 -12.659 -2.420 348 HG23 VAL 44 HG23 VAL 44 4.365 -13.034 -3.162 349 H LYS 45 H LYS 45 3.591 -10.936 -6.810 350 HA LYS 45 HA LYS 45 4.965 -8.827 -8.009 351 HB2 LYS 45 HB2 LYS 45 2.505 -10.269 -9.084 352 HB3 LYS 45 HB3 LYS 45 3.652 -9.341 -10.047 353 HG2 LYS 45 HG2 LYS 45 5.423 -10.965 -9.554 354 HG3 LYS 45 HG3 LYS 45 4.315 -11.884 -8.524 355 HD2 LYS 45 HD2 LYS 45 2.838 -12.273 -10.510 356 HD3 LYS 45 HD3 LYS 45 3.999 -11.415 -11.522 357 HE2 LYS 45 HE2 LYS 45 5.700 -13.148 -10.985 358 HE3 LYS 45 HE3 LYS 45 4.490 -14.013 -10.030 359 HZ1 LYS 45 HZ1 LYS 45 4.683 -14.937 -12.248 360 HZ2 LYS 45 HZ2 LYS 45 4.310 -13.442 -12.943 361 HZ3 LYS 45 HZ3 LYS 45 3.147 -14.261 -12.030 362 H GLU 46 H GLU 46 1.454 -9.097 -7.320 363 HA GLU 46 HA GLU 46 0.749 -6.463 -8.112 364 HB2 GLU 46 HB2 GLU 46 -0.701 -8.357 -6.215 365 HB3 GLU 46 HB3 GLU 46 -1.376 -6.856 -6.835 366 HG2 GLU 46 HG2 GLU 46 -2.359 -8.466 -8.206 367 HG3 GLU 46 HG3 GLU 46 -1.018 -7.893 -9.188 368 H ALA 47 H ALA 47 1.761 -7.886 -5.040 369 HA ALA 47 HA ALA 47 1.097 -5.905 -3.206 370 HB1 ALA 47 HB1 ALA 47 2.852 -6.850 -1.770 371 HB2 ALA 47 HB2 ALA 47 3.532 -7.712 -3.156 372 HB3 ALA 47 HB3 ALA 47 1.924 -8.127 -2.559 373 H ILE 48 H ILE 48 4.079 -6.320 -5.075 374 HA ILE 48 HA ILE 48 5.642 -4.172 -4.283 375 HB ILE 48 HB ILE 48 5.358 -5.568 -6.988 376 HG12 ILE 48 HG12 ILE 48 7.515 -5.787 -4.841 377 HG13 ILE 48 HG13 ILE 48 6.189 -6.924 -5.053 378 HG21 ILE 48 HG21 ILE 48 7.516 -4.582 -7.696 379 HG22 ILE 48 HG22 ILE 48 7.539 -3.585 -6.242 380 HG23 ILE 48 HG23 ILE 48 6.287 -3.333 -7.458 381 HD11 ILE 48 HD11 ILE 48 8.396 -6.390 -7.032 382 HD12 ILE 48 HD12 ILE 48 7.055 -7.517 -7.257 383 HD13 ILE 48 HD13 ILE 48 8.232 -7.791 -5.976 384 H GLU 49 H GLU 49 3.208 -4.308 -6.880 385 HA GLU 49 HA GLU 49 3.534 -1.714 -7.899 386 HB2 GLU 49 HB2 GLU 49 1.040 -3.460 -7.978 387 HB3 GLU 49 HB3 GLU 49 1.358 -2.073 -9.018 388 HG2 GLU 49 HG2 GLU 49 3.303 -3.237 -10.001 389 HG3 GLU 49 HG3 GLU 49 3.003 -4.623 -8.953 390 H TYR 50 H TYR 50 1.456 -2.960 -5.315 391 HA TYR 50 HA TYR 50 0.035 -0.501 -4.879 392 HB2 TYR 50 HB2 TYR 50 0.213 -3.104 -3.340 393 HB3 TYR 50 HB3 TYR 50 -0.627 -1.711 -2.674 394 HD1 TYR 50 HD2 TYR 50 -2.493 -0.639 -4.141 395 HD2 TYR 50 HD1 TYR 50 -0.958 -4.573 -4.807 396 HE1 TYR 50 HE2 TYR 50 -4.507 -1.207 -5.423 397 HE2 TYR 50 HE1 TYR 50 -2.971 -5.142 -6.091 398 HH TYR 50 HH TYR 50 -5.284 -2.758 -7.044 399 H PHE 51 H PHE 51 2.947 -1.956 -3.416 400 HA PHE 51 HA PHE 51 3.259 0.014 -1.353 401 HB2 PHE 51 HB2 PHE 51 5.395 -1.704 -2.682 402 HB3 PHE 51 HB3 PHE 51 5.628 -0.774 -1.209 403 HD1 PHE 51 HD1 PHE 51 3.010 -1.489 0.199 404 HD2 PHE 51 HD2 PHE 51 5.868 -3.884 -1.920 405 HE1 PHE 51 HE1 PHE 51 2.367 -3.456 1.532 406 HE2 PHE 51 HE2 PHE 51 5.201 -5.850 -0.589 407 HZ PHE 51 HZ PHE 51 3.453 -5.633 1.133 408 H LEU 52 H LEU 52 4.060 -0.146 -4.750 409 HA LEU 52 HA LEU 52 5.871 2.072 -4.891 410 HB2 LEU 52 HB2 LEU 52 4.143 0.722 -6.999 411 HB3 LEU 52 HB3 LEU 52 5.246 2.033 -7.383 412 HG LEU 52 HG LEU 52 6.143 -0.623 -6.188 413 HD11 LEU 52 HD11 LEU 52 6.920 -1.237 -8.427 414 HD12 LEU 52 HD12 LEU 52 6.205 0.232 -9.098 415 HD13 LEU 52 HD13 LEU 52 5.171 -1.017 -8.396 416 HD21 LEU 52 HD21 LEU 52 8.390 0.074 -6.875 417 HD22 LEU 52 HD22 LEU 52 7.690 1.229 -5.745 418 HD23 LEU 52 HD23 LEU 52 7.752 1.610 -7.469 419 H ARG 53 H ARG 53 2.365 1.669 -5.449 420 HA ARG 53 HA ARG 53 1.677 4.338 -6.021 421 HB2 ARG 53 HB2 ARG 53 -0.027 2.309 -4.513 422 HB3 ARG 53 HB3 ARG 53 -0.615 3.769 -5.296 423 HG2 ARG 53 HG2 ARG 53 -0.049 2.829 -7.494 424 HG3 ARG 53 HG3 ARG 53 0.574 1.374 -6.712 425 HD2 ARG 53 HD2 ARG 53 -1.753 1.103 -5.666 426 HD3 ARG 53 HD3 ARG 53 -2.289 2.373 -6.775 427 HE ARG 53 HE ARG 53 -0.958 0.202 -8.094 428 HH11 ARG 53 HH11 ARG 53 -4.065 1.269 -6.839 429 HH12 ARG 53 HH12 ARG 53 -4.973 0.212 -7.868 430 HH21 ARG 53 HH21 ARG 53 -2.172 -1.228 -9.372 431 HH22 ARG 53 HH22 ARG 53 -3.906 -1.199 -9.296 432 H ALA 54 H ALA 54 1.721 2.512 -2.973 433 HA ALA 54 HA ALA 54 0.739 4.416 -1.206 434 HB1 ALA 54 HB1 ALA 54 2.729 2.191 -0.626 435 HB2 ALA 54 HB2 ALA 54 0.973 2.025 -0.658 436 HB3 ALA 54 HB3 ALA 54 1.734 3.035 0.569 437 H LYS 55 H LYS 55 4.091 3.699 -2.121 438 HA LYS 55 HA LYS 55 5.421 5.518 -0.442 439 HB2 LYS 55 HB2 LYS 55 6.534 3.618 -1.564 440 HB3 LYS 55 HB3 LYS 55 6.262 4.361 -3.138 441 HG2 LYS 55 HG2 LYS 55 7.743 6.232 -2.528 442 HG3 LYS 55 HG3 LYS 55 7.986 5.527 -0.926 443 HD2 LYS 55 HD2 LYS 55 9.084 3.564 -1.928 444 HD3 LYS 55 HD3 LYS 55 8.784 4.204 -3.549 445 HE2 LYS 55 HE2 LYS 55 10.514 5.520 -1.430 446 HE3 LYS 55 HE3 LYS 55 11.102 4.621 -2.828 447 HZ1 LYS 55 HZ1 LYS 55 9.449 7.086 -3.002 448 HZ2 LYS 55 HZ2 LYS 55 10.178 6.263 -4.287 449 HZ3 LYS 55 HZ3 LYS 55 11.130 7.046 -3.134 450 H LYS 56 H LYS 56 4.225 5.813 -3.776 451 HA LYS 56 HA LYS 56 5.121 8.420 -4.363 452 HB2 LYS 56 HB2 LYS 56 4.396 7.015 -6.171 453 HB3 LYS 56 HB3 LYS 56 2.819 6.748 -5.439 454 HG2 LYS 56 HG2 LYS 56 2.194 9.096 -5.870 455 HG3 LYS 56 HG3 LYS 56 3.783 9.415 -6.563 456 HD2 LYS 56 HD2 LYS 56 1.740 7.454 -7.679 457 HD3 LYS 56 HD3 LYS 56 2.021 9.084 -8.291 458 HE2 LYS 56 HE2 LYS 56 4.007 6.791 -8.310 459 HE3 LYS 56 HE3 LYS 56 3.167 7.467 -9.705 460 HZ1 LYS 56 HZ1 LYS 56 4.315 9.584 -9.270 461 HZ2 LYS 56 HZ2 LYS 56 5.394 8.323 -9.594 462 HZ3 LYS 56 HZ3 LYS 56 5.168 8.851 -8.007 463 H VAL 57 H VAL 57 2.147 7.243 -2.833 464 HA VAL 57 HA VAL 57 0.795 9.770 -2.852 465 HB VAL 57 HB VAL 57 0.175 7.195 -1.317 466 HG11 VAL 57 HG11 VAL 57 -1.589 9.621 -1.796 467 HG12 VAL 57 HG12 VAL 57 -0.880 9.149 -0.250 468 HG13 VAL 57 HG13 VAL 57 -2.088 8.118 -1.017 469 HG21 VAL 57 HG21 VAL 57 -1.520 6.781 -3.075 470 HG22 VAL 57 HG22 VAL 57 0.085 6.926 -3.793 471 HG23 VAL 57 HG23 VAL 57 -1.047 8.271 -3.899 472 H PHE 58 H PHE 58 2.743 7.960 -0.496 473 HA PHE 58 HA PHE 58 2.558 9.835 1.648 474 HB2 PHE 58 HB2 PHE 58 4.584 7.650 1.019 475 HB3 PHE 58 HB3 PHE 58 4.780 8.714 2.404 476 HD1 PHE 58 HD2 PHE 58 2.351 8.934 3.781 477 HD2 PHE 58 HD1 PHE 58 3.773 5.520 1.621 478 HE1 PHE 58 HE2 PHE 58 0.992 7.454 5.203 479 HE2 PHE 58 HE1 PHE 58 2.417 4.054 3.051 480 HZ PHE 58 HZ PHE 58 1.029 5.018 4.841 481 H ASP 59 H ASP 59 4.677 9.533 -1.182 482 HA ASP 59 HA ASP 59 6.652 11.447 -0.482 483 HB2 ASP 59 HB2 ASP 59 6.942 9.801 -2.341 484 HB3 ASP 59 HB3 ASP 59 5.691 10.618 -3.269 485 H ALA 60 H ALA 60 3.592 11.672 -2.223 486 HA ALA 60 HA ALA 60 3.616 14.390 -2.948 487 HB1 ALA 60 HB1 ALA 60 1.246 12.578 -2.352 488 HB2 ALA 60 HB2 ALA 60 2.060 12.755 -3.907 489 HB3 ALA 60 HB3 ALA 60 1.178 14.118 -3.224 490 H GLU 61 H GLU 61 2.598 12.748 0.009 491 HA GLU 61 HA GLU 61 1.707 15.184 1.325 492 HB2 GLU 61 HB2 GLU 61 1.967 12.321 2.320 493 HB3 GLU 61 HB3 GLU 61 1.298 13.643 3.269 494 HG2 GLU 61 HG2 GLU 61 0.165 12.511 0.705 495 HG3 GLU 61 HG3 GLU 61 -0.497 12.317 2.326 496 H HIS 62 H HIS 62 4.697 13.974 0.688 497 HA HIS 62 HA HIS 62 6.786 14.150 1.487 498 HB2 HIS 62 HB2 HIS 62 5.560 16.526 2.939 499 HB3 HIS 62 HB3 HIS 62 7.287 16.182 2.969 500 HD1 HIS 62 HD1 HIS 62 8.577 17.398 1.234 501 HD2 HIS 62 HD2 HIS 62 4.635 16.816 0.054 502 HE1 HIS 62 HE1 HIS 62 8.367 18.524 -0.994 503 HE2 HIS 62 HE2 HIS 62 6.016 18.055 -1.730 504 H ASP 63 H ASP 63 4.852 12.449 2.888 505 HA ASP 63 HA ASP 63 5.669 12.295 5.650 506 HB2 ASP 63 HB2 ASP 63 3.370 11.592 4.811 507 HB3 ASP 63 HB3 ASP 63 4.137 10.241 3.980 508 H THR 64 H THR 64 7.841 12.055 5.610 509 HA THR 64 HA THR 64 9.381 10.541 3.855 510 HB THR 64 HB THR 64 10.353 12.375 5.129 511 HG1 THR 64 HG1 THR 64 11.544 9.854 5.722 512 HG21 THR 64 HG21 THR 64 10.884 12.212 7.519 513 HG22 THR 64 HG22 THR 64 10.058 10.655 7.615 514 HG23 THR 64 HG23 THR 64 9.139 12.122 7.266 515 H ASP 65 H ASP 65 8.012 9.695 7.020 516 HA ASP 65 HA ASP 65 9.337 7.305 7.560 517 HB2 ASP 65 HB2 ASP 65 8.006 8.338 9.291 518 HB3 ASP 65 HB3 ASP 65 6.546 8.276 8.310 519 H GLY 66 H GLY 66 6.131 7.738 6.040 520 HA2 GLY 66 HA2 GLY 66 5.681 4.997 5.504 521 HA3 GLY 66 HA3 GLY 66 4.775 6.349 4.845 522 H ALA 67 H ALA 67 7.132 7.584 3.563 523 HA ALA 67 HA ALA 67 7.123 6.261 1.052 524 HB1 ALA 67 HB1 ALA 67 8.868 7.877 0.408 525 HB2 ALA 67 HB2 ALA 67 9.082 8.333 2.103 526 HB3 ALA 67 HB3 ALA 67 7.557 8.673 1.281 527 H ARG 68 H ARG 68 9.494 6.345 3.699 528 HA ARG 68 HA ARG 68 11.395 4.571 2.456 529 HB2 ARG 68 HB2 ARG 68 11.137 5.799 5.215 530 HB3 ARG 68 HB3 ARG 68 12.280 4.488 4.959 531 HG2 ARG 68 HG2 ARG 68 13.399 6.671 4.817 532 HG3 ARG 68 HG3 ARG 68 13.480 5.814 3.279 533 HD2 ARG 68 HD2 ARG 68 11.632 7.207 2.413 534 HD3 ARG 68 HD3 ARG 68 11.557 8.063 3.951 535 HE ARG 68 HE ARG 68 14.095 8.495 3.232 536 HH11 ARG 68 HH11 ARG 68 11.103 8.847 1.399 537 HH12 ARG 68 HH12 ARG 68 11.719 10.125 0.406 538 HH21 ARG 68 HH21 ARG 68 14.861 10.205 1.942 539 HH22 ARG 68 HH22 ARG 68 13.849 10.897 0.713 540 H ARG 69 H ARG 69 8.626 4.203 4.563 541 HA ARG 69 HA ARG 69 9.214 1.541 5.496 542 HB2 ARG 69 HB2 ARG 69 7.944 2.947 6.935 543 HB3 ARG 69 HB3 ARG 69 6.795 3.373 5.678 544 HG2 ARG 69 HG2 ARG 69 5.748 1.210 5.795 545 HG3 ARG 69 HG3 ARG 69 7.029 0.582 6.842 546 HD2 ARG 69 HD2 ARG 69 4.841 1.211 7.991 547 HD3 ARG 69 HD3 ARG 69 6.309 1.894 8.685 548 HE ARG 69 HE ARG 69 5.727 4.021 7.788 549 HH11 ARG 69 HH11 ARG 69 3.134 1.658 7.474 550 HH12 ARG 69 HH12 ARG 69 1.904 2.865 7.256 551 HH21 ARG 69 HH21 ARG 69 4.143 5.574 7.512 552 HH22 ARG 69 HH22 ARG 69 2.488 5.104 7.280 553 H ALA 70 H ALA 70 7.278 2.920 2.880 554 HA ALA 70 HA ALA 70 6.102 0.473 1.980 555 HB1 ALA 70 HB1 ALA 70 5.538 1.726 -0.062 556 HB2 ALA 70 HB2 ALA 70 6.582 3.055 0.455 557 HB3 ALA 70 HB3 ALA 70 5.139 2.650 1.386 558 H ALA 71 H ALA 71 9.084 2.235 1.270 559 HA ALA 71 HA ALA 71 10.050 0.487 -0.790 560 HB1 ALA 71 HB1 ALA 71 10.810 2.817 -0.600 561 HB2 ALA 71 HB2 ALA 71 12.176 1.700 -0.517 562 HB3 ALA 71 HB3 ALA 71 11.560 2.457 0.956 563 H LYS 72 H LYS 72 10.222 0.510 2.710 564 HA LYS 72 HA LYS 72 12.257 -1.450 3.080 565 HB2 LYS 72 HB2 LYS 72 11.566 0.035 4.922 566 HB3 LYS 72 HB3 LYS 72 9.927 -0.602 4.873 567 HG2 LYS 72 HG2 LYS 72 11.174 -1.506 6.792 568 HG3 LYS 72 HG3 LYS 72 10.729 -2.793 5.668 569 HD2 LYS 72 HD2 LYS 72 13.008 -3.151 6.455 570 HD3 LYS 72 HD3 LYS 72 13.055 -2.737 4.740 571 HE2 LYS 72 HE2 LYS 72 13.626 -0.375 5.386 572 HE3 LYS 72 HE3 LYS 72 13.681 -0.889 7.075 573 HZ1 LYS 72 HZ1 LYS 72 15.886 -0.858 6.148 574 HZ2 LYS 72 HZ2 LYS 72 15.427 -1.875 4.883 575 HZ3 LYS 72 HZ3 LYS 72 15.442 -2.458 6.466 576 H SER 73 H SER 73 8.694 -1.598 2.987 577 HA SER 73 HA SER 73 8.421 -4.409 3.244 578 HB2 SER 73 HB2 SER 73 6.626 -2.667 3.701 579 HB3 SER 73 HB3 SER 73 6.425 -2.503 1.957 580 HG SER 73 HG SER 73 6.264 -5.011 3.243 581 H LEU 74 H LEU 74 8.868 -2.243 0.492 582 HA LEU 74 HA LEU 74 8.441 -4.020 -1.627 583 HB2 LEU 74 HB2 LEU 74 10.023 -1.476 -1.325 584 HB3 LEU 74 HB3 LEU 74 10.325 -2.442 -2.757 585 HG LEU 74 HG LEU 74 7.575 -1.429 -1.966 586 HD11 LEU 74 HD11 LEU 74 7.775 0.210 -3.743 587 HD12 LEU 74 HD12 LEU 74 9.444 -0.286 -4.044 588 HD13 LEU 74 HD13 LEU 74 9.009 0.470 -2.507 589 HD21 LEU 74 HD21 LEU 74 7.503 -3.451 -3.327 590 HD22 LEU 74 HD22 LEU 74 8.575 -2.716 -4.523 591 HD23 LEU 74 HD23 LEU 74 6.956 -2.061 -4.262 592 H SER 75 H SER 75 11.410 -3.415 0.285 593 HA SER 75 HA SER 75 13.143 -5.088 -1.205 594 HB2 SER 75 HB2 SER 75 13.257 -4.358 1.756 595 HB3 SER 75 HB3 SER 75 14.586 -5.060 0.825 596 HG SER 75 HG SER 75 13.633 -2.920 -0.463 597 H GLU 76 H GLU 76 11.101 -5.725 1.630 598 HA GLU 76 HA GLU 76 11.678 -8.459 1.981 599 HB2 GLU 76 HB2 GLU 76 9.115 -6.958 2.669 600 HB3 GLU 76 HB3 GLU 76 9.602 -8.512 3.332 601 HG2 GLU 76 HG2 GLU 76 10.963 -5.845 3.776 602 HG3 GLU 76 HG3 GLU 76 10.029 -6.753 4.958 603 H ALA 77 H ALA 77 9.478 -6.778 -0.158 604 HA ALA 77 HA ALA 77 7.961 -9.006 -1.066 605 HB1 ALA 77 HB1 ALA 77 7.175 -7.456 -2.811 606 HB2 ALA 77 HB2 ALA 77 8.425 -6.294 -2.356 607 HB3 ALA 77 HB3 ALA 77 7.134 -6.696 -1.222 608 H TYR 78 H TYR 78 10.827 -7.297 -2.334 609 HA TYR 78 HA TYR 78 10.997 -8.750 -4.778 610 HB2 TYR 78 HB2 TYR 78 12.949 -6.928 -3.323 611 HB3 TYR 78 HB3 TYR 78 13.397 -7.742 -4.818 612 HD1 TYR 78 HD2 TYR 78 11.547 -7.435 -6.792 613 HD2 TYR 78 HD1 TYR 78 12.140 -4.711 -3.549 614 HE1 TYR 78 HE2 TYR 78 10.501 -5.635 -8.096 615 HE2 TYR 78 HE1 TYR 78 11.098 -2.915 -4.858 616 HH TYR 78 HH TYR 78 10.613 -2.354 -7.186 617 H GLN 79 H GLN 79 12.163 -9.413 -1.545 618 HA GLN 79 HA GLN 79 14.062 -11.425 -2.072 619 HB2 GLN 79 HB2 GLN 79 12.072 -11.223 0.236 620 HB3 GLN 79 HB3 GLN 79 13.457 -12.313 0.213 621 HG2 GLN 79 HG2 GLN 79 14.999 -10.434 0.217 622 HG3 GLN 79 HG3 GLN 79 13.668 -9.290 0.088 623 HE21 GLN 79 HE21 GLN 79 15.706 -9.410 2.149 624 HE22 GLN 79 HE22 GLN 79 14.865 -9.617 3.644 625 H LYS 80 H LYS 80 10.563 -11.486 -2.009 626 HA LYS 80 HA LYS 80 10.308 -14.369 -2.059 627 HB2 LYS 80 HB2 LYS 80 8.127 -12.269 -2.454 628 HB3 LYS 80 HB3 LYS 80 7.916 -13.947 -1.951 629 HG2 LYS 80 HG2 LYS 80 9.119 -13.464 0.164 630 HG3 LYS 80 HG3 LYS 80 9.324 -11.788 -0.347 631 HD2 LYS 80 HD2 LYS 80 6.778 -11.615 -0.421 632 HD3 LYS 80 HD3 LYS 80 6.726 -13.210 0.335 633 HE2 LYS 80 HE2 LYS 80 7.867 -10.652 1.505 634 HE3 LYS 80 HE3 LYS 80 6.480 -11.573 2.080 635 HZ1 LYS 80 HZ1 LYS 80 9.308 -12.460 2.127 636 HZ2 LYS 80 HZ2 LYS 80 7.991 -13.391 2.631 637 HZ3 LYS 80 HZ3 LYS 80 8.394 -11.972 3.461 638 H VAL 81 H VAL 81 10.208 -11.717 -4.345 639 HA VAL 81 HA VAL 81 9.044 -13.200 -6.541 640 HB VAL 81 HB VAL 81 10.380 -10.451 -6.438 641 HG11 VAL 81 HG11 VAL 81 9.396 -10.024 -8.673 642 HG12 VAL 81 HG12 VAL 81 8.796 -11.679 -8.743 643 HG13 VAL 81 HG13 VAL 81 10.533 -11.373 -8.744 644 HG21 VAL 81 HG21 VAL 81 7.444 -11.240 -6.526 645 HG22 VAL 81 HG22 VAL 81 8.056 -9.588 -6.590 646 HG23 VAL 81 HG23 VAL 81 8.302 -10.562 -5.140 647 H GLU 82 H GLU 82 12.268 -11.683 -5.997 648 HA GLU 82 HA GLU 82 13.483 -12.802 -8.322 649 HB2 GLU 82 HB2 GLU 82 14.837 -11.683 -5.827 650 HB3 GLU 82 HB3 GLU 82 15.607 -11.943 -7.393 651 HG2 GLU 82 HG2 GLU 82 14.168 -10.229 -8.413 652 HG3 GLU 82 HG3 GLU 82 13.334 -10.001 -6.874 653 H GLY 83 H GLY 83 14.811 -14.583 -8.569 654 HA2 GLY 83 HA2 GLY 83 14.642 -16.749 -6.634 655 HA3 GLY 83 HA3 GLY 83 15.412 -16.787 -8.213 656 H SER 84 H SER 84 15.853 -15.126 -5.086 657 HA SER 84 HA SER 84 18.744 -15.126 -5.308 658 HB2 SER 84 HB2 SER 84 16.963 -14.312 -2.960 659 HB3 SER 84 HB3 SER 84 18.665 -13.897 -3.176 660 HG SER 84 HG SER 84 16.597 -12.525 -3.970 661 H GLY 85 H GLY 85 19.543 -17.194 -5.185 662 HA2 GLY 85 HA2 GLY 85 20.211 -19.179 -4.204 663 HA3 GLY 85 HA3 GLY 85 19.192 -18.837 -2.810 664 H ASP 86 H ASP 86 19.403 -21.380 -4.142 665 HA ASP 86 HA ASP 86 17.155 -21.882 -5.826 666 HB2 ASP 86 HB2 ASP 86 19.006 -23.471 -5.829 667 HB3 ASP 86 HB3 ASP 86 18.829 -23.763 -4.104 668 H LYS 87 H LYS 87 15.140 -21.519 -5.183 669 HA LYS 87 HA LYS 87 14.216 -22.303 -2.464 670 HB2 LYS 87 HB2 LYS 87 13.066 -20.214 -4.382 671 HB3 LYS 87 HB3 LYS 87 12.370 -20.643 -2.820 672 HG2 LYS 87 HG2 LYS 87 14.413 -19.812 -1.683 673 HG3 LYS 87 HG3 LYS 87 15.108 -19.381 -3.245 674 HD2 LYS 87 HD2 LYS 87 12.518 -18.218 -2.155 675 HD3 LYS 87 HD3 LYS 87 14.092 -17.443 -1.991 676 HE2 LYS 87 HE2 LYS 87 14.283 -17.214 -4.413 677 HE3 LYS 87 HE3 LYS 87 12.786 -18.122 -4.653 678 HZ1 LYS 87 HZ1 LYS 87 12.972 -15.528 -3.216 679 HZ2 LYS 87 HZ2 LYS 87 11.557 -16.378 -3.582 680 HZ3 LYS 87 HZ3 LYS 87 12.484 -15.706 -4.825 681 H GLY 88 H GLY 88 12.713 -23.894 -2.367 682 HA2 GLY 88 HA2 GLY 88 11.922 -25.255 -4.824 683 HA3 GLY 88 HA3 GLY 88 11.702 -25.817 -3.177 684 H LYS 89 H LYS 89 10.606 -23.004 -5.106 685 HA LYS 89 HA LYS 89 8.083 -22.834 -3.785 686 HB2 LYS 89 HB2 LYS 89 9.201 -20.860 -4.838 687 HB3 LYS 89 HB3 LYS 89 8.916 -21.564 -6.428 688 HG2 LYS 89 HG2 LYS 89 6.499 -21.397 -6.125 689 HG3 LYS 89 HG3 LYS 89 6.711 -20.831 -4.465 690 HD2 LYS 89 HD2 LYS 89 7.820 -18.776 -5.305 691 HD3 LYS 89 HD3 LYS 89 7.617 -19.341 -6.968 692 HE2 LYS 89 HE2 LYS 89 5.171 -19.264 -6.703 693 HE3 LYS 89 HE3 LYS 89 5.359 -18.742 -5.027 694 HZ1 LYS 89 HZ1 LYS 89 6.408 -16.720 -5.793 695 HZ2 LYS 89 HZ2 LYS 89 4.892 -16.899 -6.526 696 HZ3 LYS 89 HZ3 LYS 89 6.299 -17.229 -7.404 697 H ILE 90 H ILE 90 6.669 -24.373 -3.994 698 HA ILE 90 HA ILE 90 6.705 -26.284 -6.152 699 HB ILE 90 HB ILE 90 4.941 -27.452 -4.683 700 HG12 ILE 90 HG12 ILE 90 5.685 -25.186 -2.766 701 HG13 ILE 90 HG13 ILE 90 4.086 -25.542 -3.404 702 HG21 ILE 90 HG21 ILE 90 7.306 -28.121 -4.685 703 HG22 ILE 90 HG22 ILE 90 6.617 -28.271 -3.070 704 HG23 ILE 90 HG23 ILE 90 7.668 -26.906 -3.453 705 HD11 ILE 90 HD11 ILE 90 4.077 -27.649 -2.121 706 HD12 ILE 90 HD12 ILE 90 4.223 -26.213 -1.109 707 HD13 ILE 90 HD13 ILE 90 5.642 -27.211 -1.429 708 H PHE 91 H PHE 91 5.519 -26.146 -7.891 709 HA PHE 91 HA PHE 91 2.956 -24.639 -7.977 710 HB2 PHE 91 HB2 PHE 91 4.829 -25.430 -10.259 711 HB3 PHE 91 HB3 PHE 91 3.326 -24.526 -10.437 712 HD1 PHE 91 HD2 PHE 91 3.145 -22.230 -9.347 713 HD2 PHE 91 HD1 PHE 91 6.877 -24.286 -9.764 714 HE1 PHE 91 HE2 PHE 91 4.354 -20.125 -9.008 715 HE2 PHE 91 HE1 PHE 91 8.080 -22.164 -9.421 716 HZ PHE 91 HZ PHE 91 6.818 -20.082 -9.045 717 H GLN 92 H GLN 92 1.116 -25.739 -8.524 718 HA GLN 92 HA GLN 92 -0.387 -27.390 -8.860 719 HB2 GLN 92 HB2 GLN 92 0.724 -27.251 -11.162 720 HB3 GLN 92 HB3 GLN 92 1.652 -28.678 -10.725 721 HG2 GLN 92 HG2 GLN 92 -0.399 -30.001 -10.539 722 HG3 GLN 92 HG3 GLN 92 -1.381 -28.567 -10.836 723 HE21 GLN 92 HE21 GLN 92 -1.548 -27.766 -12.942 724 HE22 GLN 92 HE22 GLN 92 -1.032 -28.664 -14.323 725 H LYS 93 H LYS 93 1.672 -27.666 -6.799 726 HA LYS 93 HA LYS 93 1.138 -30.353 -5.840 727 HB2 LYS 93 HB2 LYS 93 3.228 -30.683 -7.183 728 HB3 LYS 93 HB3 LYS 93 4.010 -29.358 -6.327 729 HG2 LYS 93 HG2 LYS 93 3.604 -30.761 -4.180 730 HG3 LYS 93 HG3 LYS 93 3.261 -32.103 -5.267 731 HD2 LYS 93 HD2 LYS 93 5.863 -30.527 -5.273 732 HD3 LYS 93 HD3 LYS 93 5.620 -32.014 -4.364 733 HE2 LYS 93 HE2 LYS 93 6.777 -32.616 -6.353 734 HE3 LYS 93 HE3 LYS 93 5.117 -33.160 -6.576 735 HZ1 LYS 93 HZ1 LYS 93 6.108 -32.074 -8.537 736 HZ2 LYS 93 HZ2 LYS 93 6.212 -30.630 -7.669 737 HZ3 LYS 93 HZ3 LYS 93 4.701 -31.307 -8.006 738 H GLU 94 H GLU 94 0.304 -29.673 -3.914 739 HA GLU 94 HA GLU 94 1.349 -27.374 -2.465 740 HB2 GLU 94 HB2 GLU 94 -0.806 -29.406 -1.739 741 HB3 GLU 94 HB3 GLU 94 -0.412 -27.970 -0.792 742 HG2 GLU 94 HG2 GLU 94 -1.081 -26.506 -2.633 743 HG3 GLU 94 HG3 GLU 94 -1.374 -27.901 -3.670 744 H GLY 95 H GLY 95 2.086 -30.705 -2.654 745 HA2 GLY 95 HA2 GLY 95 3.999 -31.694 -1.836 746 HA3 GLY 95 HA3 GLY 95 4.216 -30.368 -0.701 747 H GLU 96 H GLU 96 4.098 -33.454 -0.523 748 HA GLU 96 HA GLU 96 2.084 -34.024 1.436 749 HB2 GLU 96 HB2 GLU 96 3.179 -35.809 0.113 750 HB3 GLU 96 HB3 GLU 96 4.739 -35.416 0.831 751 HG2 GLU 96 HG2 GLU 96 3.838 -36.080 3.074 752 HG3 GLU 96 HG3 GLU 96 2.320 -36.540 2.301 753 H SER 97 H SER 97 2.091 -33.392 3.533 754 HA SER 97 HA SER 97 3.974 -31.555 4.540 755 HB2 SER 97 HB2 SER 97 1.811 -33.079 6.046 756 HB3 SER 97 HB3 SER 97 2.645 -31.640 6.640 757 HG SER 97 HG SER 97 0.463 -31.539 5.433 758 H ILE 98 H ILE 98 6.012 -32.425 4.605 759 HA ILE 98 HA ILE 98 6.576 -34.489 6.685 760 HB ILE 98 HB ILE 98 8.669 -35.046 5.416 761 HG12 ILE 98 HG12 ILE 98 7.515 -33.359 3.133 762 HG13 ILE 98 HG13 ILE 98 8.864 -32.868 4.149 763 HG21 ILE 98 HG21 ILE 98 6.672 -36.456 5.154 764 HG22 ILE 98 HG22 ILE 98 7.607 -36.405 3.660 765 HG23 ILE 98 HG23 ILE 98 6.126 -35.456 3.804 766 HD11 ILE 98 HD11 ILE 98 9.646 -33.699 2.019 767 HD12 ILE 98 HD12 ILE 98 8.833 -35.242 2.286 768 HD13 ILE 98 HD13 ILE 98 10.178 -34.760 3.323 769 H LEU 99 H LEU 99 8.650 -34.204 7.792 770 HA LEU 99 HA LEU 99 10.093 -33.076 9.101 771 HB2 LEU 99 HB2 LEU 99 10.100 -31.144 6.755 772 HB3 LEU 99 HB3 LEU 99 11.021 -30.804 8.208 773 HG LEU 99 HG LEU 99 12.347 -32.893 7.845 774 HD11 LEU 99 HD11 LEU 99 10.756 -34.243 6.595 775 HD12 LEU 99 HD12 LEU 99 12.268 -34.087 5.702 776 HD13 LEU 99 HD13 LEU 99 10.857 -33.135 5.225 777 HD21 LEU 99 HD21 LEU 99 12.382 -30.971 5.499 778 HD22 LEU 99 HD22 LEU 99 13.695 -32.053 5.975 779 HD23 LEU 99 HD23 LEU 99 13.202 -30.745 7.048 780 H GLU 100 H GLU 100 8.716 -32.785 10.811 781 HA GLU 100 HA GLU 100 6.734 -30.734 10.975 782 HB2 GLU 100 HB2 GLU 100 6.840 -33.047 12.193 783 HB3 GLU 100 HB3 GLU 100 7.871 -32.243 13.358 784 HG2 GLU 100 HG2 GLU 100 5.020 -31.436 12.696 785 HG3 GLU 100 HG3 GLU 100 5.489 -32.416 14.074 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -12.287 -8.713 9.589 2 H2 GLY 1 H2 GLY 1 -10.679 -9.195 9.456 3 H3 GLY 1 H3 GLY 1 -11.428 -9.175 10.972 4 HA2 GLY 1 HA2 GLY 1 -11.275 -11.433 10.195 5 HA3 GLY 1 HA3 GLY 1 -12.958 -10.925 10.242 6 H GLY 2 H GLY 2 -12.795 -12.985 8.738 7 HA2 GLY 2 HA2 GLY 2 -13.331 -13.747 6.635 8 HA3 GLY 2 HA3 GLY 2 -13.213 -12.103 6.016 9 H SER 3 H SER 3 -12.186 -13.100 4.151 10 HA SER 3 HA SER 3 -9.592 -14.362 4.395 11 HB2 SER 3 HB2 SER 3 -9.650 -14.319 1.877 12 HB3 SER 3 HB3 SER 3 -11.094 -15.051 2.571 13 HG SER 3 HG SER 3 -11.726 -13.644 0.969 14 HA PRO 4 HA PRO 4 -6.905 -10.658 3.897 15 HB2 PRO 4 HB2 PRO 4 -5.615 -12.161 1.620 16 HB3 PRO 4 HB3 PRO 4 -4.864 -11.394 3.038 17 HG2 PRO 4 HG2 PRO 4 -5.084 -14.045 2.920 18 HG3 PRO 4 HG3 PRO 4 -5.350 -13.183 4.452 19 HD2 PRO 4 HD2 PRO 4 -7.379 -14.370 2.578 20 HD3 PRO 4 HD3 PRO 4 -7.365 -14.329 4.357 21 H ASP 5 H ASP 5 -8.326 -12.237 1.092 22 HA ASP 5 HA ASP 5 -8.297 -10.074 -0.741 23 HB2 ASP 5 HB2 ASP 5 -8.585 -12.377 -1.498 24 HB3 ASP 5 HB3 ASP 5 -10.047 -12.565 -0.540 25 H GLU 6 H GLU 6 -10.638 -11.157 1.700 26 HA GLU 6 HA GLU 6 -12.758 -9.359 1.105 27 HB2 GLU 6 HB2 GLU 6 -12.650 -11.551 2.629 28 HB3 GLU 6 HB3 GLU 6 -12.266 -10.421 3.911 29 HG2 GLU 6 HG2 GLU 6 -14.765 -10.248 2.203 30 HG3 GLU 6 HG3 GLU 6 -14.697 -11.119 3.729 31 H ASN 7 H ASN 7 -9.946 -9.259 3.239 32 HA ASN 7 HA ASN 7 -10.307 -6.769 4.484 33 HB2 ASN 7 HB2 ASN 7 -7.786 -8.343 3.819 34 HB3 ASN 7 HB3 ASN 7 -7.760 -6.858 4.757 35 HD21 ASN 7 HD21 ASN 7 -6.799 -8.100 6.416 36 HD22 ASN 7 HD22 ASN 7 -7.756 -9.094 7.455 37 H ILE 8 H ILE 8 -8.647 -7.635 1.432 38 HA ILE 8 HA ILE 8 -7.564 -5.182 0.684 39 HB ILE 8 HB ILE 8 -8.657 -7.477 -0.998 40 HG12 ILE 8 HG12 ILE 8 -5.797 -6.549 -0.503 41 HG13 ILE 8 HG13 ILE 8 -6.595 -7.867 0.343 42 HG21 ILE 8 HG21 ILE 8 -7.278 -5.008 -2.102 43 HG22 ILE 8 HG22 ILE 8 -8.923 -5.542 -2.445 44 HG23 ILE 8 HG23 ILE 8 -7.551 -6.493 -3.013 45 HD11 ILE 8 HD11 ILE 8 -5.958 -7.803 -2.606 46 HD12 ILE 8 HD12 ILE 8 -6.761 -9.121 -1.744 47 HD13 ILE 8 HD13 ILE 8 -5.095 -8.698 -1.354 48 H ALA 9 H ALA 9 -10.808 -6.476 -0.036 49 HA ALA 9 HA ALA 9 -11.755 -4.249 -1.526 50 HB1 ALA 9 HB1 ALA 9 -13.972 -5.279 -1.286 51 HB2 ALA 9 HB2 ALA 9 -13.346 -6.365 -0.040 52 HB3 ALA 9 HB3 ALA 9 -12.756 -6.489 -1.700 53 H LYS 10 H LYS 10 -11.772 -5.018 1.899 54 HA LYS 10 HA LYS 10 -13.539 -2.976 2.799 55 HB2 LYS 10 HB2 LYS 10 -12.965 -5.046 4.089 56 HB3 LYS 10 HB3 LYS 10 -11.327 -4.436 4.312 57 HG2 LYS 10 HG2 LYS 10 -12.227 -2.515 5.596 58 HG3 LYS 10 HG3 LYS 10 -13.861 -3.154 5.389 59 HD2 LYS 10 HD2 LYS 10 -13.158 -5.234 6.609 60 HD3 LYS 10 HD3 LYS 10 -11.569 -4.508 6.864 61 HE2 LYS 10 HE2 LYS 10 -14.198 -3.417 7.917 62 HE3 LYS 10 HE3 LYS 10 -12.984 -4.283 8.860 63 HZ1 LYS 10 HZ1 LYS 10 -12.709 -1.961 9.223 64 HZ2 LYS 10 HZ2 LYS 10 -12.677 -1.629 7.566 65 HZ3 LYS 10 HZ3 LYS 10 -11.407 -2.480 8.278 66 H PHE 11 H PHE 11 -10.029 -3.173 2.393 67 HA PHE 11 HA PHE 11 -9.421 -0.546 3.418 68 HB2 PHE 11 HB2 PHE 11 -7.682 -2.406 1.733 69 HB3 PHE 11 HB3 PHE 11 -7.115 -0.982 2.600 70 HD1 PHE 11 HD2 PHE 11 -8.624 -1.410 5.212 71 HD2 PHE 11 HD1 PHE 11 -6.364 -4.110 2.771 72 HE1 PHE 11 HE2 PHE 11 -8.144 -2.796 7.175 73 HE2 PHE 11 HE1 PHE 11 -5.891 -5.492 4.752 74 HZ PHE 11 HZ PHE 11 -6.781 -4.839 6.955 75 H GLU 12 H GLU 12 -10.300 -1.913 0.351 76 HA GLU 12 HA GLU 12 -9.413 0.248 -1.326 77 HB2 GLU 12 HB2 GLU 12 -9.994 -2.294 -1.904 78 HB3 GLU 12 HB3 GLU 12 -11.619 -1.682 -2.137 79 HG2 GLU 12 HG2 GLU 12 -9.159 -0.693 -3.622 80 HG3 GLU 12 HG3 GLU 12 -10.289 -1.882 -4.248 81 H LYS 13 H LYS 13 -12.479 -0.691 0.250 82 HA LYS 13 HA LYS 13 -14.069 1.500 -0.603 83 HB2 LYS 13 HB2 LYS 13 -14.797 -0.687 0.602 84 HB3 LYS 13 HB3 LYS 13 -14.319 0.091 2.098 85 HG2 LYS 13 HG2 LYS 13 -16.460 1.141 0.214 86 HG3 LYS 13 HG3 LYS 13 -16.783 0.139 1.621 87 HD2 LYS 13 HD2 LYS 13 -15.657 2.963 1.614 88 HD3 LYS 13 HD3 LYS 13 -17.273 2.472 2.116 89 HE2 LYS 13 HE2 LYS 13 -14.675 1.717 3.508 90 HE3 LYS 13 HE3 LYS 13 -15.841 2.918 4.058 91 HZ1 LYS 13 HZ1 LYS 13 -16.041 0.753 5.191 92 HZ2 LYS 13 HZ2 LYS 13 -16.475 0.044 3.715 93 HZ3 LYS 13 HZ3 LYS 13 -17.458 1.221 4.398 94 H ALA 14 H ALA 14 -11.973 0.956 2.227 95 HA ALA 14 HA ALA 14 -12.288 3.448 3.511 96 HB1 ALA 14 HB1 ALA 14 -11.326 1.469 4.625 97 HB2 ALA 14 HB2 ALA 14 -10.243 2.859 4.746 98 HB3 ALA 14 HB3 ALA 14 -9.904 1.568 3.587 99 H TYR 15 H TYR 15 -10.272 2.418 0.826 100 HA TYR 15 HA TYR 15 -8.583 4.700 0.634 101 HB2 TYR 15 HB2 TYR 15 -7.932 2.653 -0.496 102 HB3 TYR 15 HB3 TYR 15 -9.430 2.600 -1.412 103 HD1 TYR 15 HD2 TYR 15 -6.223 4.495 -1.015 104 HD2 TYR 15 HD1 TYR 15 -9.597 3.739 -3.529 105 HE1 TYR 15 HE2 TYR 15 -5.143 5.714 -2.821 106 HE2 TYR 15 HE1 TYR 15 -8.517 4.978 -5.340 107 HH TYR 15 HH TYR 15 -5.241 5.826 -5.304 108 H LYS 16 H LYS 16 -11.699 3.819 -0.818 109 HA LYS 16 HA LYS 16 -11.939 6.110 -2.496 110 HB2 LYS 16 HB2 LYS 16 -14.079 4.195 -1.452 111 HB3 LYS 16 HB3 LYS 16 -14.333 5.379 -2.735 112 HG2 LYS 16 HG2 LYS 16 -12.374 3.067 -2.839 113 HG3 LYS 16 HG3 LYS 16 -13.954 3.096 -3.615 114 HD2 LYS 16 HD2 LYS 16 -11.757 5.105 -4.244 115 HD3 LYS 16 HD3 LYS 16 -11.961 3.585 -5.121 116 HE2 LYS 16 HE2 LYS 16 -14.179 4.256 -5.867 117 HE3 LYS 16 HE3 LYS 16 -14.103 5.725 -4.892 118 HZ1 LYS 16 HZ1 LYS 16 -13.609 6.214 -7.186 119 HZ2 LYS 16 HZ2 LYS 16 -12.356 5.076 -7.208 120 HZ3 LYS 16 HZ3 LYS 16 -12.223 6.461 -6.247 121 H LYS 17 H LYS 17 -13.004 5.400 0.803 122 HA LYS 17 HA LYS 17 -14.454 7.799 1.293 123 HB2 LYS 17 HB2 LYS 17 -14.685 5.801 2.730 124 HB3 LYS 17 HB3 LYS 17 -13.002 5.946 3.225 125 HG2 LYS 17 HG2 LYS 17 -13.509 8.117 4.314 126 HG3 LYS 17 HG3 LYS 17 -15.203 7.957 3.835 127 HD2 LYS 17 HD2 LYS 17 -15.408 5.914 5.212 128 HD3 LYS 17 HD3 LYS 17 -13.703 6.032 5.660 129 HE2 LYS 17 HE2 LYS 17 -14.179 8.227 6.741 130 HE3 LYS 17 HE3 LYS 17 -15.892 8.013 6.363 131 HZ1 LYS 17 HZ1 LYS 17 -15.894 6.000 7.704 132 HZ2 LYS 17 HZ2 LYS 17 -15.416 7.332 8.621 133 HZ3 LYS 17 HZ3 LYS 17 -14.261 6.220 8.085 134 H ALA 18 H ALA 18 -11.129 6.785 1.854 135 HA ALA 18 HA ALA 18 -9.965 9.062 2.986 136 HB1 ALA 18 HB1 ALA 18 -8.775 6.982 1.118 137 HB2 ALA 18 HB2 ALA 18 -8.885 6.868 2.876 138 HB3 ALA 18 HB3 ALA 18 -7.854 8.093 2.137 139 H GLU 19 H GLU 19 -10.689 8.196 -0.332 140 HA GLU 19 HA GLU 19 -9.214 10.242 -1.697 141 HB2 GLU 19 HB2 GLU 19 -9.763 8.022 -2.667 142 HB3 GLU 19 HB3 GLU 19 -11.479 8.409 -2.621 143 HG2 GLU 19 HG2 GLU 19 -11.018 10.290 -4.246 144 HG3 GLU 19 HG3 GLU 19 -9.354 9.708 -4.363 145 H GLU 20 H GLU 20 -12.509 9.915 -0.475 146 HA GLU 20 HA GLU 20 -13.611 12.284 -1.632 147 HB2 GLU 20 HB2 GLU 20 -14.412 10.791 0.903 148 HB3 GLU 20 HB3 GLU 20 -15.365 12.060 0.144 149 HG2 GLU 20 HG2 GLU 20 -14.681 9.381 -1.079 150 HG3 GLU 20 HG3 GLU 20 -16.232 9.838 -0.385 151 H LEU 21 H LEU 21 -11.942 11.550 1.373 152 HA LEU 21 HA LEU 21 -11.979 14.258 2.393 153 HB2 LEU 21 HB2 LEU 21 -10.407 11.799 3.277 154 HB3 LEU 21 HB3 LEU 21 -10.517 13.303 4.178 155 HG LEU 21 HG LEU 21 -12.823 11.394 3.615 156 HD11 LEU 21 HD11 LEU 21 -11.389 11.982 6.226 157 HD12 LEU 21 HD12 LEU 21 -11.260 10.505 5.269 158 HD13 LEU 21 HD13 LEU 21 -12.796 10.931 6.018 159 HD21 LEU 21 HD21 LEU 21 -14.160 12.839 5.089 160 HD22 LEU 21 HD22 LEU 21 -13.633 13.685 3.641 161 HD23 LEU 21 HD23 LEU 21 -12.826 13.995 5.181 162 H ASN 22 H ASN 22 -10.140 12.516 0.137 163 HA ASN 22 HA ASN 22 -8.324 12.870 -1.127 164 HB2 ASN 22 HB2 ASN 22 -8.712 15.766 -0.244 165 HB3 ASN 22 HB3 ASN 22 -7.661 15.262 -1.560 166 HD21 ASN 22 HD21 ASN 22 -11.000 15.575 -0.535 167 HD22 ASN 22 HD22 ASN 22 -11.693 15.450 -2.110 168 H GLN 23 H GLN 23 -7.983 12.236 1.746 169 HA GLN 23 HA GLN 23 -5.543 13.569 2.610 170 HB2 GLN 23 HB2 GLN 23 -7.173 11.331 3.892 171 HB3 GLN 23 HB3 GLN 23 -5.769 12.097 4.634 172 HG2 GLN 23 HG2 GLN 23 -6.960 14.274 4.619 173 HG3 GLN 23 HG3 GLN 23 -8.371 13.484 3.909 174 HE21 GLN 23 HE21 GLN 23 -9.708 14.030 5.652 175 HE22 GLN 23 HE22 GLN 23 -9.567 13.284 7.205 176 H GLY 24 H GLY 24 -3.704 12.968 1.719 177 HA2 GLY 24 HA2 GLY 24 -3.170 10.599 0.315 178 HA3 GLY 24 HA3 GLY 24 -1.977 11.764 0.853 179 H GLU 25 H GLU 25 -2.716 11.402 3.686 180 HA GLU 25 HA GLU 25 -1.042 9.334 4.565 181 HB2 GLU 25 HB2 GLU 25 -1.713 11.223 6.017 182 HB3 GLU 25 HB3 GLU 25 -3.390 10.689 5.973 183 HG2 GLU 25 HG2 GLU 25 -2.499 8.488 7.058 184 HG3 GLU 25 HG3 GLU 25 -1.049 9.425 7.420 185 H LEU 26 H LEU 26 -4.583 9.495 4.380 186 HA LEU 26 HA LEU 26 -5.086 6.857 5.310 187 HB2 LEU 26 HB2 LEU 26 -6.813 8.908 3.892 188 HB3 LEU 26 HB3 LEU 26 -7.439 7.350 4.398 189 HG LEU 26 HG LEU 26 -6.362 9.488 6.280 190 HD11 LEU 26 HD11 LEU 26 -8.482 10.155 5.224 191 HD12 LEU 26 HD12 LEU 26 -8.713 9.804 6.934 192 HD13 LEU 26 HD13 LEU 26 -9.228 8.631 5.716 193 HD21 LEU 26 HD21 LEU 26 -7.725 6.846 6.872 194 HD22 LEU 26 HD22 LEU 26 -7.262 8.068 8.061 195 HD23 LEU 26 HD23 LEU 26 -6.019 7.220 7.146 196 H MET 27 H MET 27 -4.994 8.311 2.041 197 HA MET 27 HA MET 27 -5.920 6.006 0.636 198 HB2 MET 27 HB2 MET 27 -4.373 8.429 -0.376 199 HB3 MET 27 HB3 MET 27 -5.051 7.188 -1.423 200 HG2 MET 27 HG2 MET 27 -7.320 7.770 -0.412 201 HG3 MET 27 HG3 MET 27 -6.534 9.183 0.291 202 HE1 MET 27 HE1 MET 27 -5.101 10.916 -1.358 203 HE2 MET 27 HE2 MET 27 -5.242 10.873 -3.115 204 HE3 MET 27 HE3 MET 27 -4.397 9.576 -2.266 205 H GLY 28 H GLY 28 -2.681 7.289 1.294 206 HA2 GLY 28 HA2 GLY 28 -1.144 5.415 -0.146 207 HA3 GLY 28 HA3 GLY 28 -0.597 6.364 1.230 208 H ARG 29 H ARG 29 -2.145 5.482 3.284 209 HA ARG 29 HA ARG 29 -1.016 3.026 4.083 210 HB2 ARG 29 HB2 ARG 29 -3.354 4.628 5.188 211 HB3 ARG 29 HB3 ARG 29 -2.841 3.113 5.932 212 HG2 ARG 29 HG2 ARG 29 -0.610 4.069 6.368 213 HG3 ARG 29 HG3 ARG 29 -1.099 5.583 5.605 214 HD2 ARG 29 HD2 ARG 29 -2.776 5.966 7.332 215 HD3 ARG 29 HD3 ARG 29 -2.436 4.390 8.062 216 HE ARG 29 HE ARG 29 -0.021 5.653 8.104 217 HH11 ARG 29 HH11 ARG 29 -3.204 6.530 9.307 218 HH12 ARG 29 HH12 ARG 29 -2.597 7.477 10.622 219 HH21 ARG 29 HH21 ARG 29 0.781 6.886 9.883 220 HH22 ARG 29 HH22 ARG 29 -0.342 7.674 10.942 221 H ALA 30 H ALA 30 -4.117 3.789 2.575 222 HA ALA 30 HA ALA 30 -5.459 1.336 2.921 223 HB1 ALA 30 HB1 ALA 30 -6.899 2.070 1.072 224 HB2 ALA 30 HB2 ALA 30 -5.725 3.318 0.624 225 HB3 ALA 30 HB3 ALA 30 -6.572 3.408 2.174 226 H LEU 31 H LEU 31 -3.495 2.515 0.178 227 HA LEU 31 HA LEU 31 -3.592 0.150 -1.392 228 HB2 LEU 31 HB2 LEU 31 -1.541 2.406 -1.393 229 HB3 LEU 31 HB3 LEU 31 -1.692 1.192 -2.657 230 HG LEU 31 HG LEU 31 -3.804 3.269 -1.946 231 HD11 LEU 31 HD11 LEU 31 -3.265 4.322 -4.087 232 HD12 LEU 31 HD12 LEU 31 -1.981 3.144 -4.367 233 HD13 LEU 31 HD13 LEU 31 -1.856 4.286 -3.027 234 HD21 LEU 31 HD21 LEU 31 -4.985 2.486 -3.957 235 HD22 LEU 31 HD22 LEU 31 -4.852 1.226 -2.736 236 HD23 LEU 31 HD23 LEU 31 -3.800 1.190 -4.155 237 H TYR 32 H TYR 32 -1.442 1.280 1.132 238 HA TYR 32 HA TYR 32 0.645 -0.604 0.902 239 HB2 TYR 32 HB2 TYR 32 0.831 1.505 2.214 240 HB3 TYR 32 HB3 TYR 32 -0.346 0.897 3.375 241 HD1 TYR 32 HD2 TYR 32 2.947 -0.051 1.851 242 HD2 TYR 32 HD1 TYR 32 0.502 -0.142 5.353 243 HE1 TYR 32 HE2 TYR 32 4.792 -1.056 3.112 244 HE2 TYR 32 HE1 TYR 32 2.354 -1.150 6.617 245 HH TYR 32 HH TYR 32 4.386 -2.485 6.146 246 H ASN 33 H ASN 33 -2.338 -0.590 2.880 247 HA ASN 33 HA ASN 33 -1.867 -3.057 4.212 248 HB2 ASN 33 HB2 ASN 33 -4.291 -1.273 3.909 249 HB3 ASN 33 HB3 ASN 33 -4.498 -2.887 4.571 250 HD21 ASN 33 HD21 ASN 33 -3.404 0.302 5.229 251 HD22 ASN 33 HD22 ASN 33 -2.943 0.034 6.859 252 H ILE 34 H ILE 34 -3.740 -2.222 1.306 253 HA ILE 34 HA ILE 34 -4.759 -4.751 0.645 254 HB ILE 34 HB ILE 34 -3.895 -2.450 -1.165 255 HG12 ILE 34 HG12 ILE 34 -6.696 -3.309 -0.299 256 HG13 ILE 34 HG13 ILE 34 -5.789 -1.976 0.404 257 HG21 ILE 34 HG21 ILE 34 -5.257 -3.511 -2.968 258 HG22 ILE 34 HG22 ILE 34 -5.422 -4.944 -1.955 259 HG23 ILE 34 HG23 ILE 34 -3.830 -4.451 -2.529 260 HD11 ILE 34 HD11 ILE 34 -6.735 -2.129 -2.461 261 HD12 ILE 34 HD12 ILE 34 -5.839 -0.795 -1.726 262 HD13 ILE 34 HD13 ILE 34 -7.461 -1.185 -1.158 263 H GLY 35 H GLY 35 -1.627 -3.243 -0.043 264 HA2 GLY 35 HA2 GLY 35 -0.464 -5.241 -1.639 265 HA3 GLY 35 HA3 GLY 35 0.398 -4.052 -0.681 266 H LEU 36 H LEU 36 -0.530 -4.791 1.883 267 HA LEU 36 HA LEU 36 1.260 -6.857 2.621 268 HB2 LEU 36 HB2 LEU 36 -1.084 -5.680 4.178 269 HB3 LEU 36 HB3 LEU 36 0.158 -6.707 4.880 270 HG LEU 36 HG LEU 36 0.661 -3.966 3.659 271 HD11 LEU 36 HD11 LEU 36 0.520 -4.746 6.583 272 HD12 LEU 36 HD12 LEU 36 -0.664 -3.780 5.695 273 HD13 LEU 36 HD13 LEU 36 0.966 -3.163 5.937 274 HD21 LEU 36 HD21 LEU 36 2.897 -4.140 4.684 275 HD22 LEU 36 HD22 LEU 36 2.627 -5.378 3.460 276 HD23 LEU 36 HD23 LEU 36 2.545 -5.802 5.173 277 H GLU 37 H GLU 37 -2.233 -6.830 2.082 278 HA GLU 37 HA GLU 37 -2.732 -9.509 2.924 279 HB2 GLU 37 HB2 GLU 37 -4.422 -7.794 1.068 280 HB3 GLU 37 HB3 GLU 37 -4.955 -9.222 1.946 281 HG2 GLU 37 HG2 GLU 37 -4.234 -6.517 3.072 282 HG3 GLU 37 HG3 GLU 37 -5.804 -7.311 3.097 283 H LYS 38 H LYS 38 -2.079 -8.014 -0.239 284 HA LYS 38 HA LYS 38 -2.277 -10.331 -1.851 285 HB2 LYS 38 HB2 LYS 38 -0.642 -7.770 -2.097 286 HB3 LYS 38 HB3 LYS 38 -0.555 -9.025 -3.324 287 HG2 LYS 38 HG2 LYS 38 -3.108 -7.601 -2.523 288 HG3 LYS 38 HG3 LYS 38 -2.088 -7.133 -3.888 289 HD2 LYS 38 HD2 LYS 38 -2.435 -9.409 -4.881 290 HD3 LYS 38 HD3 LYS 38 -3.527 -9.798 -3.548 291 HE2 LYS 38 HE2 LYS 38 -5.058 -8.013 -4.260 292 HE3 LYS 38 HE3 LYS 38 -3.947 -7.555 -5.555 293 HZ1 LYS 38 HZ1 LYS 38 -5.757 -8.946 -6.365 294 HZ2 LYS 38 HZ2 LYS 38 -5.303 -10.193 -5.316 295 HZ3 LYS 38 HZ3 LYS 38 -4.267 -9.725 -6.564 296 H ASN 39 H ASN 39 0.346 -8.974 0.080 297 HA ASN 39 HA ASN 39 2.451 -10.544 -1.013 298 HB2 ASN 39 HB2 ASN 39 2.538 -8.237 0.220 299 HB3 ASN 39 HB3 ASN 39 2.567 -9.175 1.706 300 HD21 ASN 39 HD21 ASN 39 4.538 -7.411 0.225 301 HD22 ASN 39 HD22 ASN 39 6.001 -8.321 0.211 302 H LYS 40 H LYS 40 0.346 -10.931 1.811 303 HA LYS 40 HA LYS 40 1.771 -13.187 2.912 304 HB2 LYS 40 HB2 LYS 40 -0.045 -13.410 4.501 305 HB3 LYS 40 HB3 LYS 40 0.336 -11.702 4.326 306 HG2 LYS 40 HG2 LYS 40 -1.627 -11.400 2.872 307 HG3 LYS 40 HG3 LYS 40 -1.993 -13.119 3.004 308 HD2 LYS 40 HD2 LYS 40 -3.451 -11.854 4.493 309 HD3 LYS 40 HD3 LYS 40 -2.350 -12.845 5.451 310 HE2 LYS 40 HE2 LYS 40 -0.994 -10.909 5.983 311 HE3 LYS 40 HE3 LYS 40 -1.914 -9.904 4.860 312 HZ1 LYS 40 HZ1 LYS 40 -3.851 -10.119 6.242 313 HZ2 LYS 40 HZ2 LYS 40 -2.562 -9.576 7.196 314 HZ3 LYS 40 HZ3 LYS 40 -3.059 -11.190 7.289 315 H MET 41 H MET 41 -0.693 -12.781 0.480 316 HA MET 41 HA MET 41 -1.433 -15.604 0.364 317 HB2 MET 41 HB2 MET 41 -2.205 -13.240 -1.401 318 HB3 MET 41 HB3 MET 41 -2.838 -14.871 -1.598 319 HG2 MET 41 HG2 MET 41 -3.739 -14.718 0.740 320 HG3 MET 41 HG3 MET 41 -3.261 -13.028 0.761 321 HE1 MET 41 HE1 MET 41 -4.012 -11.874 -2.067 322 HE2 MET 41 HE2 MET 41 -4.538 -11.112 -0.565 323 HE3 MET 41 HE3 MET 41 -5.705 -11.430 -1.847 324 H GLY 42 H GLY 42 1.313 -14.088 -0.542 325 HA2 GLY 42 HA2 GLY 42 3.081 -14.842 -1.828 326 HA3 GLY 42 HA3 GLY 42 2.048 -16.083 -2.519 327 H LYS 43 H LYS 43 0.448 -13.219 -2.792 328 HA LYS 43 HA LYS 43 1.065 -12.850 -5.626 329 HB2 LYS 43 HB2 LYS 43 -0.990 -11.446 -3.854 330 HB3 LYS 43 HB3 LYS 43 -0.941 -11.424 -5.615 331 HG2 LYS 43 HG2 LYS 43 -1.556 -13.759 -5.736 332 HG3 LYS 43 HG3 LYS 43 -1.377 -13.943 -3.984 333 HD2 LYS 43 HD2 LYS 43 -3.261 -12.354 -3.638 334 HD3 LYS 43 HD3 LYS 43 -3.456 -12.213 -5.388 335 HE2 LYS 43 HE2 LYS 43 -3.760 -14.799 -3.819 336 HE3 LYS 43 HE3 LYS 43 -5.093 -13.774 -4.351 337 HZ1 LYS 43 HZ1 LYS 43 -4.411 -14.144 -6.649 338 HZ2 LYS 43 HZ2 LYS 43 -4.751 -15.602 -5.869 339 HZ3 LYS 43 HZ3 LYS 43 -3.149 -15.146 -6.131 340 H VAL 44 H VAL 44 3.242 -12.251 -4.381 341 HA VAL 44 HA VAL 44 3.508 -9.662 -3.212 342 HB VAL 44 HB VAL 44 5.724 -11.440 -4.341 343 HG11 VAL 44 HG11 VAL 44 6.475 -9.173 -3.799 344 HG12 VAL 44 HG12 VAL 44 7.153 -10.330 -2.655 345 HG13 VAL 44 HG13 VAL 44 5.795 -9.310 -2.173 346 HG21 VAL 44 HG21 VAL 44 5.924 -12.443 -2.092 347 HG22 VAL 44 HG22 VAL 44 4.341 -12.768 -2.804 348 HG23 VAL 44 HG23 VAL 44 4.509 -11.532 -1.554 349 H LYS 45 H LYS 45 3.485 -10.900 -6.395 350 HA LYS 45 HA LYS 45 5.059 -9.020 -7.815 351 HB2 LYS 45 HB2 LYS 45 2.684 -10.600 -8.930 352 HB3 LYS 45 HB3 LYS 45 4.019 -9.910 -9.841 353 HG2 LYS 45 HG2 LYS 45 4.588 -12.174 -9.805 354 HG3 LYS 45 HG3 LYS 45 5.521 -11.551 -8.442 355 HD2 LYS 45 HD2 LYS 45 3.718 -12.333 -6.891 356 HD3 LYS 45 HD3 LYS 45 2.845 -13.007 -8.269 357 HE2 LYS 45 HE2 LYS 45 4.074 -14.765 -7.091 358 HE3 LYS 45 HE3 LYS 45 4.765 -14.529 -8.701 359 HZ1 LYS 45 HZ1 LYS 45 6.522 -13.191 -7.704 360 HZ2 LYS 45 HZ2 LYS 45 6.489 -14.736 -7.034 361 HZ3 LYS 45 HZ3 LYS 45 5.866 -13.431 -6.162 362 H GLU 46 H GLU 46 1.594 -9.256 -7.085 363 HA GLU 46 HA GLU 46 0.801 -6.730 -8.202 364 HB2 GLU 46 HB2 GLU 46 -0.610 -8.520 -6.166 365 HB3 GLU 46 HB3 GLU 46 -1.354 -7.158 -7.005 366 HG2 GLU 46 HG2 GLU 46 -1.059 -8.304 -9.165 367 HG3 GLU 46 HG3 GLU 46 -0.263 -9.648 -8.350 368 H ALA 47 H ALA 47 1.735 -7.932 -5.006 369 HA ALA 47 HA ALA 47 0.944 -5.818 -3.360 370 HB1 ALA 47 HB1 ALA 47 2.499 -6.732 -1.701 371 HB2 ALA 47 HB2 ALA 47 3.297 -7.690 -2.951 372 HB3 ALA 47 HB3 ALA 47 1.623 -8.033 -2.509 373 H ILE 48 H ILE 48 3.973 -6.341 -5.118 374 HA ILE 48 HA ILE 48 5.573 -4.240 -4.229 375 HB ILE 48 HB ILE 48 5.366 -5.654 -6.926 376 HG12 ILE 48 HG12 ILE 48 7.520 -5.743 -4.768 377 HG13 ILE 48 HG13 ILE 48 6.270 -6.954 -5.005 378 HG21 ILE 48 HG21 ILE 48 6.192 -3.408 -7.463 379 HG22 ILE 48 HG22 ILE 48 7.474 -4.603 -7.665 380 HG23 ILE 48 HG23 ILE 48 7.453 -3.565 -6.240 381 HD11 ILE 48 HD11 ILE 48 8.371 -7.714 -5.904 382 HD12 ILE 48 HD12 ILE 48 8.489 -6.294 -6.941 383 HD13 ILE 48 HD13 ILE 48 7.210 -7.482 -7.211 384 H GLU 49 H GLU 49 3.200 -4.266 -6.905 385 HA GLU 49 HA GLU 49 3.606 -1.578 -7.699 386 HB2 GLU 49 HB2 GLU 49 1.123 -3.290 -8.139 387 HB3 GLU 49 HB3 GLU 49 1.540 -1.811 -9.004 388 HG2 GLU 49 HG2 GLU 49 3.664 -3.000 -9.781 389 HG3 GLU 49 HG3 GLU 49 2.964 -4.483 -9.137 390 H TYR 50 H TYR 50 1.349 -3.085 -5.428 391 HA TYR 50 HA TYR 50 -0.163 -0.773 -4.799 392 HB2 TYR 50 HB2 TYR 50 0.329 -3.394 -3.359 393 HB3 TYR 50 HB3 TYR 50 -0.611 -2.115 -2.603 394 HD1 TYR 50 HD2 TYR 50 -2.503 -1.082 -4.221 395 HD2 TYR 50 HD1 TYR 50 -0.901 -5.036 -4.545 396 HE1 TYR 50 HE2 TYR 50 -4.532 -1.807 -5.386 397 HE2 TYR 50 HE1 TYR 50 -2.931 -5.764 -5.712 398 HH TYR 50 HH TYR 50 -5.246 -3.572 -6.918 399 H PHE 51 H PHE 51 2.860 -2.042 -3.436 400 HA PHE 51 HA PHE 51 3.061 -0.053 -1.346 401 HB2 PHE 51 HB2 PHE 51 5.238 -1.826 -2.531 402 HB3 PHE 51 HB3 PHE 51 5.399 -0.865 -1.067 403 HD1 PHE 51 HD1 PHE 51 2.779 -1.503 0.278 404 HD2 PHE 51 HD2 PHE 51 5.595 -4.002 -1.759 405 HE1 PHE 51 HE1 PHE 51 2.051 -3.428 1.628 406 HE2 PHE 51 HE2 PHE 51 4.847 -5.930 -0.418 407 HZ PHE 51 HZ PHE 51 3.077 -5.644 1.275 408 H LEU 52 H LEU 52 4.003 -0.299 -4.707 409 HA LEU 52 HA LEU 52 5.915 1.843 -4.764 410 HB2 LEU 52 HB2 LEU 52 4.276 0.466 -6.921 411 HB3 LEU 52 HB3 LEU 52 5.278 1.850 -7.313 412 HG LEU 52 HG LEU 52 6.371 -0.723 -6.099 413 HD11 LEU 52 HD11 LEU 52 7.191 -1.284 -8.338 414 HD12 LEU 52 HD12 LEU 52 6.380 0.133 -9.011 415 HD13 LEU 52 HD13 LEU 52 5.431 -1.182 -8.315 416 HD21 LEU 52 HD21 LEU 52 7.758 1.263 -5.666 417 HD22 LEU 52 HD22 LEU 52 7.813 1.617 -7.396 418 HD23 LEU 52 HD23 LEU 52 8.559 0.144 -6.768 419 H ARG 53 H ARG 53 2.455 1.578 -5.314 420 HA ARG 53 HA ARG 53 1.998 4.337 -5.987 421 HB2 ARG 53 HB2 ARG 53 0.047 2.133 -5.167 422 HB3 ARG 53 HB3 ARG 53 -0.415 3.697 -5.837 423 HG2 ARG 53 HG2 ARG 53 0.561 3.178 -7.975 424 HG3 ARG 53 HG3 ARG 53 1.344 1.730 -7.338 425 HD2 ARG 53 HD2 ARG 53 -1.023 0.840 -6.864 426 HD3 ARG 53 HD3 ARG 53 -1.614 2.174 -7.863 427 HE ARG 53 HE ARG 53 0.104 1.103 -9.550 428 HH11 ARG 53 HH11 ARG 53 -2.203 -0.572 -7.476 429 HH12 ARG 53 HH12 ARG 53 -2.370 -1.926 -8.542 430 HH21 ARG 53 HH21 ARG 53 -0.100 -0.688 -10.930 431 HH22 ARG 53 HH22 ARG 53 -1.168 -1.989 -10.511 432 H ALA 54 H ALA 54 1.691 2.328 -3.056 433 HA ALA 54 HA ALA 54 0.488 4.196 -1.314 434 HB1 ALA 54 HB1 ALA 54 0.689 1.789 -0.776 435 HB2 ALA 54 HB2 ALA 54 1.374 2.790 0.507 436 HB3 ALA 54 HB3 ALA 54 2.439 1.965 -0.637 437 H LYS 55 H LYS 55 3.903 3.358 -1.856 438 HA LYS 55 HA LYS 55 5.129 5.295 -0.246 439 HB2 LYS 55 HB2 LYS 55 6.467 3.464 -1.049 440 HB3 LYS 55 HB3 LYS 55 6.073 3.813 -2.728 441 HG2 LYS 55 HG2 LYS 55 7.402 5.886 -2.628 442 HG3 LYS 55 HG3 LYS 55 7.775 5.573 -0.930 443 HD2 LYS 55 HD2 LYS 55 9.091 3.628 -1.486 444 HD3 LYS 55 HD3 LYS 55 8.532 3.649 -3.163 445 HE2 LYS 55 HE2 LYS 55 10.858 4.518 -2.878 446 HE3 LYS 55 HE3 LYS 55 9.758 5.689 -3.606 447 HZ1 LYS 55 HZ1 LYS 55 11.276 6.565 -1.836 448 HZ2 LYS 55 HZ2 LYS 55 10.393 5.662 -0.710 449 HZ3 LYS 55 HZ3 LYS 55 9.635 6.890 -1.592 450 H LYS 56 H LYS 56 4.136 5.350 -3.662 451 HA LYS 56 HA LYS 56 5.338 7.721 -4.504 452 HB2 LYS 56 HB2 LYS 56 4.330 6.082 -6.051 453 HB3 LYS 56 HB3 LYS 56 2.720 6.473 -5.452 454 HG2 LYS 56 HG2 LYS 56 3.027 8.816 -6.325 455 HG3 LYS 56 HG3 LYS 56 4.562 8.303 -7.036 456 HD2 LYS 56 HD2 LYS 56 3.375 6.644 -8.432 457 HD3 LYS 56 HD3 LYS 56 1.841 7.099 -7.686 458 HE2 LYS 56 HE2 LYS 56 2.025 9.352 -8.634 459 HE3 LYS 56 HE3 LYS 56 3.593 8.945 -9.334 460 HZ1 LYS 56 HZ1 LYS 56 2.478 7.232 -10.659 461 HZ2 LYS 56 HZ2 LYS 56 1.894 8.780 -10.999 462 HZ3 LYS 56 HZ3 LYS 56 0.981 7.723 -10.042 463 H VAL 57 H VAL 57 2.182 7.239 -2.931 464 HA VAL 57 HA VAL 57 1.229 9.896 -3.168 465 HB VAL 57 HB VAL 57 0.551 7.900 -0.948 466 HG11 VAL 57 HG11 VAL 57 -1.541 9.209 -0.722 467 HG12 VAL 57 HG12 VAL 57 -0.959 10.346 -1.939 468 HG13 VAL 57 HG13 VAL 57 -0.114 10.197 -0.398 469 HG21 VAL 57 HG21 VAL 57 0.077 6.933 -3.175 470 HG22 VAL 57 HG22 VAL 57 -0.898 8.339 -3.588 471 HG23 VAL 57 HG23 VAL 57 -1.413 7.256 -2.290 472 H PHE 58 H PHE 58 2.791 8.193 -0.425 473 HA PHE 58 HA PHE 58 3.078 10.430 1.287 474 HB2 PHE 58 HB2 PHE 58 4.645 7.819 1.195 475 HB3 PHE 58 HB3 PHE 58 4.777 8.993 2.498 476 HD1 PHE 58 HD2 PHE 58 2.345 9.697 3.512 477 HD2 PHE 58 HD1 PHE 58 3.287 5.975 1.629 478 HE1 PHE 58 HE2 PHE 58 0.519 8.599 4.738 479 HE2 PHE 58 HE1 PHE 58 1.465 4.888 2.859 480 HZ PHE 58 HZ PHE 58 0.077 6.198 4.413 481 H ASP 59 H ASP 59 5.015 9.307 -1.354 482 HA ASP 59 HA ASP 59 7.515 10.524 -0.575 483 HB2 ASP 59 HB2 ASP 59 7.212 8.392 -2.005 484 HB3 ASP 59 HB3 ASP 59 6.762 9.445 -3.340 485 H ALA 60 H ALA 60 4.831 11.227 -2.750 486 HA ALA 60 HA ALA 60 5.905 13.676 -3.820 487 HB1 ALA 60 HB1 ALA 60 3.682 13.961 -4.824 488 HB2 ALA 60 HB2 ALA 60 3.063 12.607 -3.872 489 HB3 ALA 60 HB3 ALA 60 4.301 12.334 -5.101 490 H GLU 61 H GLU 61 3.820 12.784 -1.097 491 HA GLU 61 HA GLU 61 3.266 15.504 -0.277 492 HB2 GLU 61 HB2 GLU 61 3.036 12.894 1.302 493 HB3 GLU 61 HB3 GLU 61 2.393 14.448 1.809 494 HG2 GLU 61 HG2 GLU 61 1.488 12.853 -0.596 495 HG3 GLU 61 HG3 GLU 61 0.633 12.984 0.933 496 H HIS 62 H HIS 62 5.957 13.464 -0.125 497 HA HIS 62 HA HIS 62 7.946 13.421 0.855 498 HB2 HIS 62 HB2 HIS 62 7.318 16.341 1.449 499 HB3 HIS 62 HB3 HIS 62 8.892 15.607 1.755 500 HD1 HIS 62 HD1 HIS 62 7.582 17.755 -0.581 501 HD2 HIS 62 HD2 HIS 62 9.547 14.123 -0.998 502 HE1 HIS 62 HE1 HIS 62 8.498 17.746 -2.917 503 HE2 HIS 62 HE2 HIS 62 9.572 15.492 -3.172 504 H ASP 63 H ASP 63 5.532 12.716 2.388 505 HA ASP 63 HA ASP 63 6.441 12.779 5.144 506 HB2 ASP 63 HB2 ASP 63 4.021 12.517 4.693 507 HB3 ASP 63 HB3 ASP 63 4.325 11.062 3.748 508 H THR 64 H THR 64 8.462 11.981 5.217 509 HA THR 64 HA THR 64 9.524 10.014 3.502 510 HB THR 64 HB THR 64 11.034 11.655 4.418 511 HG1 THR 64 HG1 THR 64 12.693 10.304 4.872 512 HG21 THR 64 HG21 THR 64 9.966 12.125 6.575 513 HG22 THR 64 HG22 THR 64 11.672 11.735 6.806 514 HG23 THR 64 HG23 THR 64 10.435 10.532 7.174 515 H ASP 65 H ASP 65 8.138 9.803 6.747 516 HA ASP 65 HA ASP 65 9.135 7.219 7.417 517 HB2 ASP 65 HB2 ASP 65 6.659 8.642 8.512 518 HB3 ASP 65 HB3 ASP 65 7.448 7.244 9.240 519 H GLY 66 H GLY 66 6.100 8.322 5.944 520 HA2 GLY 66 HA2 GLY 66 4.817 5.792 5.759 521 HA3 GLY 66 HA3 GLY 66 4.418 7.235 4.844 522 H ALA 67 H ALA 67 6.791 7.687 3.528 523 HA ALA 67 HA ALA 67 6.763 5.936 1.321 524 HB1 ALA 67 HB1 ALA 67 8.781 7.139 0.572 525 HB2 ALA 67 HB2 ALA 67 8.949 7.868 2.173 526 HB3 ALA 67 HB3 ALA 67 7.555 8.264 1.165 527 H ARG 68 H ARG 68 8.726 6.014 4.262 528 HA ARG 68 HA ARG 68 10.607 3.982 3.542 529 HB2 ARG 68 HB2 ARG 68 9.815 5.165 6.237 530 HB3 ARG 68 HB3 ARG 68 11.014 3.882 6.092 531 HG2 ARG 68 HG2 ARG 68 12.443 5.325 4.717 532 HG3 ARG 68 HG3 ARG 68 11.247 6.620 4.801 533 HD2 ARG 68 HD2 ARG 68 13.048 7.028 6.405 534 HD3 ARG 68 HD3 ARG 68 11.537 6.705 7.265 535 HE ARG 68 HE ARG 68 13.169 4.364 6.849 536 HH11 ARG 68 HH11 ARG 68 12.630 7.080 9.033 537 HH12 ARG 68 HH12 ARG 68 13.351 6.282 10.391 538 HH21 ARG 68 HH21 ARG 68 14.120 3.343 8.624 539 HH22 ARG 68 HH22 ARG 68 14.199 4.155 10.157 540 H ARG 69 H ARG 69 7.429 3.931 5.108 541 HA ARG 69 HA ARG 69 7.382 1.312 6.132 542 HB2 ARG 69 HB2 ARG 69 5.061 2.787 4.797 543 HB3 ARG 69 HB3 ARG 69 4.904 1.381 5.846 544 HG2 ARG 69 HG2 ARG 69 5.658 2.664 7.766 545 HG3 ARG 69 HG3 ARG 69 6.002 4.058 6.738 546 HD2 ARG 69 HD2 ARG 69 3.545 4.110 6.127 547 HD3 ARG 69 HD3 ARG 69 3.273 2.861 7.346 548 HE ARG 69 HE ARG 69 4.192 5.620 7.858 549 HH11 ARG 69 HH11 ARG 69 2.778 2.653 9.082 550 HH12 ARG 69 HH12 ARG 69 2.357 3.343 10.614 551 HH21 ARG 69 HH21 ARG 69 3.581 6.536 9.830 552 HH22 ARG 69 HH22 ARG 69 2.815 5.551 11.037 553 H ALA 70 H ALA 70 6.408 2.567 2.975 554 HA ALA 70 HA ALA 70 5.743 0.016 1.857 555 HB1 ALA 70 HB1 ALA 70 4.482 2.020 1.271 556 HB2 ALA 70 HB2 ALA 70 5.216 1.302 -0.167 557 HB3 ALA 70 HB3 ALA 70 5.926 2.742 0.565 558 H ALA 71 H ALA 71 8.562 2.184 1.695 559 HA ALA 71 HA ALA 71 9.819 0.837 -0.531 560 HB1 ALA 71 HB1 ALA 71 11.785 2.216 -0.031 561 HB2 ALA 71 HB2 ALA 71 11.070 2.730 1.500 562 HB3 ALA 71 HB3 ALA 71 10.323 3.200 -0.029 563 H LYS 72 H LYS 72 10.115 0.651 3.010 564 HA LYS 72 HA LYS 72 12.170 -1.302 3.162 565 HB2 LYS 72 HB2 LYS 72 11.377 0.016 5.130 566 HB3 LYS 72 HB3 LYS 72 9.833 -0.824 5.067 567 HG2 LYS 72 HG2 LYS 72 11.149 -2.998 5.480 568 HG3 LYS 72 HG3 LYS 72 12.547 -1.970 5.816 569 HD2 LYS 72 HD2 LYS 72 11.476 -2.579 7.918 570 HD3 LYS 72 HD3 LYS 72 11.253 -0.849 7.637 571 HE2 LYS 72 HE2 LYS 72 9.195 -1.891 8.485 572 HE3 LYS 72 HE3 LYS 72 8.946 -1.282 6.845 573 HZ1 LYS 72 HZ1 LYS 72 9.268 -3.558 6.024 574 HZ2 LYS 72 HZ2 LYS 72 7.993 -3.480 7.129 575 HZ3 LYS 72 HZ3 LYS 72 9.478 -4.114 7.605 576 H SER 73 H SER 73 8.633 -1.485 3.049 577 HA SER 73 HA SER 73 8.372 -4.301 3.124 578 HB2 SER 73 HB2 SER 73 6.539 -2.666 3.679 579 HB3 SER 73 HB3 SER 73 6.400 -2.293 1.957 580 HG SER 73 HG SER 73 6.063 -4.644 1.711 581 H LEU 74 H LEU 74 8.958 -2.024 0.516 582 HA LEU 74 HA LEU 74 8.525 -3.833 -1.658 583 HB2 LEU 74 HB2 LEU 74 9.797 -1.111 -1.344 584 HB3 LEU 74 HB3 LEU 74 10.174 -2.016 -2.799 585 HG LEU 74 HG LEU 74 7.328 -1.439 -1.932 586 HD11 LEU 74 HD11 LEU 74 8.952 0.149 -3.919 587 HD12 LEU 74 HD12 LEU 74 8.432 0.696 -2.321 588 HD13 LEU 74 HD13 LEU 74 7.230 0.340 -3.563 589 HD21 LEU 74 HD21 LEU 74 6.792 -2.002 -4.261 590 HD22 LEU 74 HD22 LEU 74 7.559 -3.342 -3.420 591 HD23 LEU 74 HD23 LEU 74 8.491 -2.375 -4.568 592 H SER 75 H SER 75 11.393 -2.777 0.142 593 HA SER 75 HA SER 75 13.371 -4.042 -1.373 594 HB2 SER 75 HB2 SER 75 13.806 -2.310 0.350 595 HB3 SER 75 HB3 SER 75 13.371 -3.454 1.620 596 HG SER 75 HG SER 75 15.442 -3.947 -0.245 597 H GLU 76 H GLU 76 11.578 -5.216 1.460 598 HA GLU 76 HA GLU 76 12.755 -7.837 1.499 599 HB2 GLU 76 HB2 GLU 76 11.060 -8.323 3.247 600 HB3 GLU 76 HB3 GLU 76 11.908 -6.813 3.566 601 HG2 GLU 76 HG2 GLU 76 9.987 -5.565 2.612 602 HG3 GLU 76 HG3 GLU 76 9.137 -7.087 2.400 603 H ALA 77 H ALA 77 9.943 -6.406 -0.089 604 HA ALA 77 HA ALA 77 8.591 -8.822 -0.814 605 HB1 ALA 77 HB1 ALA 77 7.318 -7.410 -2.397 606 HB2 ALA 77 HB2 ALA 77 8.440 -6.075 -2.114 607 HB3 ALA 77 HB3 ALA 77 7.416 -6.661 -0.802 608 H TYR 78 H TYR 78 11.021 -6.793 -2.426 609 HA TYR 78 HA TYR 78 11.070 -8.134 -4.902 610 HB2 TYR 78 HB2 TYR 78 13.116 -6.362 -3.509 611 HB3 TYR 78 HB3 TYR 78 13.473 -7.118 -5.059 612 HD1 TYR 78 HD2 TYR 78 11.480 -6.771 -6.878 613 HD2 TYR 78 HD1 TYR 78 12.306 -4.133 -3.619 614 HE1 TYR 78 HE2 TYR 78 10.319 -4.952 -8.047 615 HE2 TYR 78 HE1 TYR 78 11.156 -2.314 -4.790 616 HH TYR 78 HH TYR 78 10.512 -1.689 -7.064 617 H GLN 79 H GLN 79 12.818 -8.636 -1.861 618 HA GLN 79 HA GLN 79 14.626 -10.638 -2.661 619 HB2 GLN 79 HB2 GLN 79 13.278 -10.172 0.040 620 HB3 GLN 79 HB3 GLN 79 14.650 -11.251 -0.205 621 HG2 GLN 79 HG2 GLN 79 16.108 -9.430 -0.775 622 HG3 GLN 79 HG3 GLN 79 14.760 -8.299 -0.897 623 HE21 GLN 79 HE21 GLN 79 15.632 -6.865 0.610 624 HE22 GLN 79 HE22 GLN 79 15.733 -7.231 2.295 625 H LYS 80 H LYS 80 11.206 -10.846 -1.916 626 HA LYS 80 HA LYS 80 11.039 -13.730 -1.879 627 HB2 LYS 80 HB2 LYS 80 8.847 -11.628 -2.194 628 HB3 LYS 80 HB3 LYS 80 8.580 -13.340 -1.871 629 HG2 LYS 80 HG2 LYS 80 9.699 -13.136 0.308 630 HG3 LYS 80 HG3 LYS 80 10.045 -11.433 -0.014 631 HD2 LYS 80 HD2 LYS 80 7.596 -10.964 -0.066 632 HD3 LYS 80 HD3 LYS 80 7.270 -12.665 0.283 633 HE2 LYS 80 HE2 LYS 80 8.418 -12.456 2.450 634 HE3 LYS 80 HE3 LYS 80 8.802 -10.768 2.096 635 HZ1 LYS 80 HZ1 LYS 80 6.050 -11.866 2.341 636 HZ2 LYS 80 HZ2 LYS 80 6.463 -10.248 2.094 637 HZ3 LYS 80 HZ3 LYS 80 6.866 -11.009 3.548 638 H VAL 81 H VAL 81 10.868 -11.237 -4.303 639 HA VAL 81 HA VAL 81 9.733 -12.979 -6.386 640 HB VAL 81 HB VAL 81 10.378 -9.985 -6.384 641 HG11 VAL 81 HG11 VAL 81 9.093 -9.781 -8.465 642 HG12 VAL 81 HG12 VAL 81 8.838 -11.528 -8.510 643 HG13 VAL 81 HG13 VAL 81 10.465 -10.871 -8.703 644 HG21 VAL 81 HG21 VAL 81 8.550 -10.579 -4.860 645 HG22 VAL 81 HG22 VAL 81 7.706 -11.415 -6.166 646 HG23 VAL 81 HG23 VAL 81 7.935 -9.667 -6.239 647 H GLU 82 H GLU 82 12.827 -11.898 -5.305 648 HA GLU 82 HA GLU 82 14.202 -11.916 -7.844 649 HB2 GLU 82 HB2 GLU 82 15.179 -11.803 -4.967 650 HB3 GLU 82 HB3 GLU 82 16.301 -11.927 -6.319 651 HG2 GLU 82 HG2 GLU 82 15.523 -9.792 -7.225 652 HG3 GLU 82 HG3 GLU 82 14.292 -9.675 -5.972 653 H GLY 83 H GLY 83 14.193 -13.764 -8.900 654 HA2 GLY 83 HA2 GLY 83 15.657 -16.066 -7.851 655 HA3 GLY 83 HA3 GLY 83 13.978 -16.362 -8.314 656 H SER 84 H SER 84 16.049 -17.687 -9.579 657 HA SER 84 HA SER 84 17.302 -16.456 -11.749 658 HB2 SER 84 HB2 SER 84 16.546 -19.379 -11.350 659 HB3 SER 84 HB3 SER 84 17.705 -18.789 -12.545 660 HG SER 84 HG SER 84 18.860 -17.857 -10.719 661 H GLY 85 H GLY 85 16.283 -15.397 -13.333 662 HA2 GLY 85 HA2 GLY 85 15.193 -16.137 -15.575 663 HA3 GLY 85 HA3 GLY 85 13.786 -16.432 -14.555 664 H ASP 86 H ASP 86 14.066 -14.290 -12.773 665 HA ASP 86 HA ASP 86 13.546 -11.935 -14.504 666 HB2 ASP 86 HB2 ASP 86 12.107 -12.780 -11.948 667 HB3 ASP 86 HB3 ASP 86 11.871 -11.225 -12.746 668 H LYS 87 H LYS 87 15.228 -10.652 -14.276 669 HA LYS 87 HA LYS 87 16.285 -9.958 -11.599 670 HB2 LYS 87 HB2 LYS 87 18.000 -10.811 -13.169 671 HB3 LYS 87 HB3 LYS 87 17.537 -9.606 -14.367 672 HG2 LYS 87 HG2 LYS 87 18.342 -7.799 -12.918 673 HG3 LYS 87 HG3 LYS 87 18.727 -8.958 -11.640 674 HD2 LYS 87 HD2 LYS 87 20.417 -10.022 -13.126 675 HD3 LYS 87 HD3 LYS 87 20.025 -8.858 -14.397 676 HE2 LYS 87 HE2 LYS 87 20.845 -7.023 -13.027 677 HE3 LYS 87 HE3 LYS 87 21.118 -8.121 -11.667 678 HZ1 LYS 87 HZ1 LYS 87 22.502 -8.249 -14.293 679 HZ2 LYS 87 HZ2 LYS 87 22.748 -9.303 -12.998 680 HZ3 LYS 87 HZ3 LYS 87 23.172 -7.678 -12.850 681 H GLY 88 H GLY 88 14.983 -8.697 -14.643 682 HA2 GLY 88 HA2 GLY 88 13.584 -6.851 -14.910 683 HA3 GLY 88 HA3 GLY 88 14.046 -6.256 -13.322 684 H LYS 89 H LYS 89 13.997 -4.281 -14.848 685 HA LYS 89 HA LYS 89 16.460 -3.907 -16.418 686 HB2 LYS 89 HB2 LYS 89 14.274 -3.394 -17.487 687 HB3 LYS 89 HB3 LYS 89 13.944 -2.183 -16.250 688 HG2 LYS 89 HG2 LYS 89 15.817 -0.816 -17.020 689 HG3 LYS 89 HG3 LYS 89 16.308 -2.063 -18.169 690 HD2 LYS 89 HD2 LYS 89 13.715 -0.466 -18.259 691 HD3 LYS 89 HD3 LYS 89 15.109 -0.241 -19.317 692 HE2 LYS 89 HE2 LYS 89 14.784 -2.566 -20.172 693 HE3 LYS 89 HE3 LYS 89 13.336 -2.702 -19.174 694 HZ1 LYS 89 HZ1 LYS 89 12.724 -2.135 -21.397 695 HZ2 LYS 89 HZ2 LYS 89 13.766 -0.805 -21.423 696 HZ3 LYS 89 HZ3 LYS 89 12.409 -0.796 -20.412 697 H ILE 90 H ILE 90 18.117 -3.123 -15.290 698 HA ILE 90 HA ILE 90 17.742 -1.433 -12.930 699 HB ILE 90 HB ILE 90 20.254 -2.709 -14.121 700 HG12 ILE 90 HG12 ILE 90 20.247 -3.948 -11.832 701 HG13 ILE 90 HG13 ILE 90 18.603 -3.363 -11.636 702 HG21 ILE 90 HG21 ILE 90 21.489 -1.896 -12.129 703 HG22 ILE 90 HG22 ILE 90 20.062 -0.991 -11.625 704 HG23 ILE 90 HG23 ILE 90 20.891 -0.563 -13.122 705 HD11 ILE 90 HD11 ILE 90 19.583 -5.166 -13.850 706 HD12 ILE 90 HD12 ILE 90 17.920 -4.624 -13.618 707 HD13 ILE 90 HD13 ILE 90 18.679 -5.674 -12.422 708 H PHE 91 H PHE 91 17.381 0.631 -13.372 709 HA PHE 91 HA PHE 91 18.930 2.095 -15.442 710 HB2 PHE 91 HB2 PHE 91 16.437 2.207 -15.634 711 HB3 PHE 91 HB3 PHE 91 16.332 2.868 -14.007 712 HD1 PHE 91 HD1 PHE 91 17.697 3.555 -17.415 713 HD2 PHE 91 HD2 PHE 91 16.516 5.243 -13.672 714 HE1 PHE 91 HE1 PHE 91 17.942 5.802 -18.350 715 HE2 PHE 91 HE2 PHE 91 16.759 7.497 -14.614 716 HZ PHE 91 HZ PHE 91 17.475 7.786 -16.957 717 H GLN 92 H GLN 92 20.659 3.129 -14.626 718 HA GLN 92 HA GLN 92 20.457 4.883 -12.343 719 HB2 GLN 92 HB2 GLN 92 22.504 3.886 -11.181 720 HB3 GLN 92 HB3 GLN 92 21.016 2.966 -11.030 721 HG2 GLN 92 HG2 GLN 92 21.816 1.387 -12.770 722 HG3 GLN 92 HG3 GLN 92 23.310 2.317 -12.907 723 HE21 GLN 92 HE21 GLN 92 24.844 2.206 -11.198 724 HE22 GLN 92 HE22 GLN 92 24.788 0.956 -10.010 725 H LYS 93 H LYS 93 20.926 6.557 -13.664 726 HA LYS 93 HA LYS 93 23.060 6.448 -15.638 727 HB2 LYS 93 HB2 LYS 93 22.327 8.721 -16.265 728 HB3 LYS 93 HB3 LYS 93 20.967 7.607 -16.191 729 HG2 LYS 93 HG2 LYS 93 20.306 8.536 -14.003 730 HG3 LYS 93 HG3 LYS 93 21.687 9.640 -14.055 731 HD2 LYS 93 HD2 LYS 93 20.752 10.692 -16.110 732 HD3 LYS 93 HD3 LYS 93 19.356 9.612 -16.018 733 HE2 LYS 93 HE2 LYS 93 18.786 11.806 -15.115 734 HE3 LYS 93 HE3 LYS 93 18.758 10.608 -13.819 735 HZ1 LYS 93 HZ1 LYS 93 19.843 12.602 -13.075 736 HZ2 LYS 93 HZ2 LYS 93 20.927 12.569 -14.372 737 HZ3 LYS 93 HZ3 LYS 93 20.998 11.375 -13.182 738 H GLU 94 H GLU 94 24.856 7.862 -15.731 739 HA GLU 94 HA GLU 94 26.191 8.398 -13.230 740 HB2 GLU 94 HB2 GLU 94 26.994 9.155 -16.089 741 HB3 GLU 94 HB3 GLU 94 28.047 9.228 -14.683 742 HG2 GLU 94 HG2 GLU 94 26.870 6.719 -15.910 743 HG3 GLU 94 HG3 GLU 94 28.540 7.263 -16.051 744 H GLY 95 H GLY 95 26.059 10.254 -12.100 745 HA2 GLY 95 HA2 GLY 95 25.715 12.857 -13.305 746 HA3 GLY 95 HA3 GLY 95 24.266 12.283 -12.484 747 H GLU 96 H GLU 96 27.752 12.442 -11.964 748 HA GLU 96 HA GLU 96 27.484 12.907 -9.098 749 HB2 GLU 96 HB2 GLU 96 29.245 11.404 -9.993 750 HB3 GLU 96 HB3 GLU 96 29.926 12.732 -10.926 751 HG2 GLU 96 HG2 GLU 96 30.511 13.908 -8.835 752 HG3 GLU 96 HG3 GLU 96 29.820 12.591 -7.886 753 H SER 97 H SER 97 28.233 14.820 -8.064 754 HA SER 97 HA SER 97 27.536 17.259 -9.338 755 HB2 SER 97 HB2 SER 97 29.000 16.812 -6.695 756 HB3 SER 97 HB3 SER 97 28.247 18.323 -7.210 757 HG SER 97 HG SER 97 26.781 15.911 -7.037 758 H ILE 98 H ILE 98 28.791 17.866 -11.038 759 HA ILE 98 HA ILE 98 31.630 17.765 -11.151 760 HB ILE 98 HB ILE 98 30.372 17.819 -13.236 761 HG12 ILE 98 HG12 ILE 98 32.050 20.350 -12.917 762 HG13 ILE 98 HG13 ILE 98 32.644 18.751 -13.344 763 HG21 ILE 98 HG21 ILE 98 29.087 19.747 -14.044 764 HG22 ILE 98 HG22 ILE 98 29.404 20.611 -12.539 765 HG23 ILE 98 HG23 ILE 98 28.422 19.147 -12.522 766 HD11 ILE 98 HD11 ILE 98 30.870 20.516 -15.035 767 HD12 ILE 98 HD12 ILE 98 31.365 18.873 -15.453 768 HD13 ILE 98 HD13 ILE 98 32.575 20.143 -15.293 769 H LEU 99 H LEU 99 33.004 19.013 -10.047 770 HA LEU 99 HA LEU 99 32.230 21.457 -8.707 771 HB2 LEU 99 HB2 LEU 99 34.678 21.522 -8.029 772 HB3 LEU 99 HB3 LEU 99 33.797 20.086 -7.555 773 HG LEU 99 HG LEU 99 34.869 19.042 -9.762 774 HD11 LEU 99 HD11 LEU 99 37.129 19.829 -10.251 775 HD12 LEU 99 HD12 LEU 99 36.908 21.199 -9.157 776 HD13 LEU 99 HD13 LEU 99 35.923 21.061 -10.616 777 HD21 LEU 99 HD21 LEU 99 35.245 18.193 -7.497 778 HD22 LEU 99 HD22 LEU 99 36.510 19.398 -7.239 779 HD23 LEU 99 HD23 LEU 99 36.721 18.141 -8.461 780 H GLU 100 H GLU 100 32.785 23.571 -9.282 781 HA GLU 100 HA GLU 100 33.394 24.050 -12.070 782 HB2 GLU 100 HB2 GLU 100 31.622 25.384 -10.935 783 HB3 GLU 100 HB3 GLU 100 32.824 26.029 -9.823 784 HG2 GLU 100 HG2 GLU 100 32.292 27.672 -11.549 785 HG3 GLU 100 HG3 GLU 100 33.972 27.154 -11.690 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -9.125 -9.350 11.259 2 H2 GLY 1 H2 GLY 1 -10.620 -9.268 12.039 3 H3 GLY 1 H3 GLY 1 -9.846 -7.852 11.541 4 HA2 GLY 1 HA2 GLY 1 -11.666 -8.412 10.051 5 HA3 GLY 1 HA3 GLY 1 -10.105 -8.424 9.238 6 H GLY 2 H GLY 2 -11.278 -9.755 7.668 7 HA2 GLY 2 HA2 GLY 2 -11.824 -12.566 8.427 8 HA3 GLY 2 HA3 GLY 2 -12.292 -11.764 6.930 9 H SER 3 H SER 3 -11.362 -13.163 5.492 10 HA SER 3 HA SER 3 -8.704 -14.144 5.564 11 HB2 SER 3 HB2 SER 3 -10.456 -13.642 3.110 12 HB3 SER 3 HB3 SER 3 -9.100 -14.769 3.225 13 HG SER 3 HG SER 3 -10.796 -16.038 3.597 14 HA PRO 4 HA PRO 4 -6.186 -10.581 4.320 15 HB2 PRO 4 HB2 PRO 4 -4.704 -11.720 2.167 16 HB3 PRO 4 HB3 PRO 4 -4.256 -11.762 3.885 17 HG2 PRO 4 HG2 PRO 4 -5.671 -13.847 2.258 18 HG3 PRO 4 HG3 PRO 4 -4.403 -14.044 3.490 19 HD2 PRO 4 HD2 PRO 4 -6.930 -14.578 4.128 20 HD3 PRO 4 HD3 PRO 4 -5.908 -13.695 5.291 21 H ASP 5 H ASP 5 -7.725 -12.419 1.686 22 HA ASP 5 HA ASP 5 -7.792 -10.348 -0.246 23 HB2 ASP 5 HB2 ASP 5 -8.009 -12.741 -0.855 24 HB3 ASP 5 HB3 ASP 5 -9.565 -12.822 -0.031 25 H GLU 6 H GLU 6 -10.087 -11.346 2.265 26 HA GLU 6 HA GLU 6 -12.219 -9.605 1.497 27 HB2 GLU 6 HB2 GLU 6 -11.650 -10.791 4.254 28 HB3 GLU 6 HB3 GLU 6 -13.186 -10.114 3.708 29 HG2 GLU 6 HG2 GLU 6 -11.838 -12.646 2.733 30 HG3 GLU 6 HG3 GLU 6 -13.308 -12.531 3.694 31 H ASN 7 H ASN 7 -9.433 -9.319 3.628 32 HA ASN 7 HA ASN 7 -10.071 -6.870 4.905 33 HB2 ASN 7 HB2 ASN 7 -7.367 -8.206 4.440 34 HB3 ASN 7 HB3 ASN 7 -7.632 -6.847 5.534 35 HD21 ASN 7 HD21 ASN 7 -6.719 -9.642 6.009 36 HD22 ASN 7 HD22 ASN 7 -7.763 -10.257 7.242 37 H ILE 8 H ILE 8 -8.340 -7.662 1.903 38 HA ILE 8 HA ILE 8 -7.309 -5.202 1.122 39 HB ILE 8 HB ILE 8 -8.631 -7.338 -0.612 40 HG12 ILE 8 HG12 ILE 8 -5.654 -6.862 -0.149 41 HG13 ILE 8 HG13 ILE 8 -6.610 -8.037 0.743 42 HG21 ILE 8 HG21 ILE 8 -6.841 -5.054 -1.514 43 HG22 ILE 8 HG22 ILE 8 -8.556 -5.230 -1.865 44 HG23 ILE 8 HG23 ILE 8 -7.403 -6.378 -2.542 45 HD11 ILE 8 HD11 ILE 8 -5.352 -9.073 -1.044 46 HD12 ILE 8 HD12 ILE 8 -6.163 -8.056 -2.229 47 HD13 ILE 8 HD13 ILE 8 -7.089 -9.244 -1.309 48 H ALA 9 H ALA 9 -10.581 -6.506 0.667 49 HA ALA 9 HA ALA 9 -11.676 -4.350 -0.803 50 HB1 ALA 9 HB1 ALA 9 -13.091 -6.467 0.843 51 HB2 ALA 9 HB2 ALA 9 -12.610 -6.614 -0.852 52 HB3 ALA 9 HB3 ALA 9 -13.837 -5.434 -0.376 53 H LYS 10 H LYS 10 -11.380 -4.954 2.657 54 HA LYS 10 HA LYS 10 -13.115 -2.868 3.552 55 HB2 LYS 10 HB2 LYS 10 -10.744 -4.168 4.954 56 HB3 LYS 10 HB3 LYS 10 -11.943 -3.150 5.741 57 HG2 LYS 10 HG2 LYS 10 -12.644 -5.781 4.384 58 HG3 LYS 10 HG3 LYS 10 -12.148 -5.678 6.070 59 HD2 LYS 10 HD2 LYS 10 -14.495 -5.722 6.197 60 HD3 LYS 10 HD3 LYS 10 -14.119 -4.009 6.365 61 HE2 LYS 10 HE2 LYS 10 -16.032 -4.280 4.892 62 HE3 LYS 10 HE3 LYS 10 -14.671 -3.703 3.940 63 HZ1 LYS 10 HZ1 LYS 10 -14.298 -6.025 3.226 64 HZ2 LYS 10 HZ2 LYS 10 -15.800 -5.419 2.750 65 HZ3 LYS 10 HZ3 LYS 10 -15.699 -6.487 4.052 66 H PHE 11 H PHE 11 -9.588 -3.078 3.017 67 HA PHE 11 HA PHE 11 -8.988 -0.354 3.646 68 HB2 PHE 11 HB2 PHE 11 -7.370 -2.323 1.973 69 HB3 PHE 11 HB3 PHE 11 -6.764 -0.815 2.656 70 HD1 PHE 11 HD2 PHE 11 -7.624 -0.782 5.413 71 HD2 PHE 11 HD1 PHE 11 -6.354 -4.143 3.069 72 HE1 PHE 11 HE2 PHE 11 -6.940 -1.969 7.455 73 HE2 PHE 11 HE1 PHE 11 -5.676 -5.310 5.122 74 HZ PHE 11 HZ PHE 11 -5.967 -4.226 7.311 75 H GLU 12 H GLU 12 -10.131 -1.977 0.812 76 HA GLU 12 HA GLU 12 -9.468 -0.042 -1.176 77 HB2 GLU 12 HB2 GLU 12 -10.195 -2.580 -1.396 78 HB3 GLU 12 HB3 GLU 12 -11.835 -1.955 -1.384 79 HG2 GLU 12 HG2 GLU 12 -9.664 -1.303 -3.402 80 HG3 GLU 12 HG3 GLU 12 -11.010 -2.401 -3.664 81 H LYS 13 H LYS 13 -12.341 -0.692 0.844 82 HA LYS 13 HA LYS 13 -13.961 1.432 -0.123 83 HB2 LYS 13 HB2 LYS 13 -14.859 -0.526 1.144 84 HB3 LYS 13 HB3 LYS 13 -14.061 0.062 2.604 85 HG2 LYS 13 HG2 LYS 13 -15.446 2.107 2.545 86 HG3 LYS 13 HG3 LYS 13 -16.223 1.544 1.063 87 HD2 LYS 13 HD2 LYS 13 -17.115 -0.423 2.331 88 HD3 LYS 13 HD3 LYS 13 -16.404 0.241 3.810 89 HE2 LYS 13 HE2 LYS 13 -18.801 0.798 3.663 90 HE3 LYS 13 HE3 LYS 13 -17.818 2.262 3.572 91 HZ1 LYS 13 HZ1 LYS 13 -19.611 2.257 1.938 92 HZ2 LYS 13 HZ2 LYS 13 -18.997 0.842 1.240 93 HZ3 LYS 13 HZ3 LYS 13 -18.097 2.272 1.178 94 H ALA 14 H ALA 14 -11.588 1.169 2.498 95 HA ALA 14 HA ALA 14 -11.930 3.779 3.588 96 HB1 ALA 14 HB1 ALA 14 -9.811 3.352 4.759 97 HB2 ALA 14 HB2 ALA 14 -9.517 1.942 3.735 98 HB3 ALA 14 HB3 ALA 14 -10.879 1.949 4.857 99 H TYR 15 H TYR 15 -10.036 2.484 0.935 100 HA TYR 15 HA TYR 15 -8.341 4.706 0.409 101 HB2 TYR 15 HB2 TYR 15 -7.842 2.484 -0.530 102 HB3 TYR 15 HB3 TYR 15 -9.359 2.474 -1.414 103 HD1 TYR 15 HD2 TYR 15 -6.105 4.306 -1.157 104 HD2 TYR 15 HD1 TYR 15 -9.421 3.324 -3.668 105 HE1 TYR 15 HE2 TYR 15 -4.948 5.292 -3.060 106 HE2 TYR 15 HE1 TYR 15 -8.260 4.325 -5.585 107 HH TYR 15 HH TYR 15 -6.476 5.966 -6.023 108 H LYS 16 H LYS 16 -11.459 3.627 -0.872 109 HA LYS 16 HA LYS 16 -11.856 5.693 -2.747 110 HB2 LYS 16 HB2 LYS 16 -13.725 3.755 -1.352 111 HB3 LYS 16 HB3 LYS 16 -14.325 4.921 -2.531 112 HG2 LYS 16 HG2 LYS 16 -12.187 2.834 -3.102 113 HG3 LYS 16 HG3 LYS 16 -13.903 2.640 -3.472 114 HD2 LYS 16 HD2 LYS 16 -12.053 4.771 -4.652 115 HD3 LYS 16 HD3 LYS 16 -12.621 3.310 -5.470 116 HE2 LYS 16 HE2 LYS 16 -14.980 4.142 -5.167 117 HE3 LYS 16 HE3 LYS 16 -14.310 5.659 -4.556 118 HZ1 LYS 16 HZ1 LYS 16 -13.195 5.954 -6.666 119 HZ2 LYS 16 HZ2 LYS 16 -14.860 5.805 -6.880 120 HZ3 LYS 16 HZ3 LYS 16 -13.839 4.505 -7.248 121 H LYS 17 H LYS 17 -12.926 5.310 0.616 122 HA LYS 17 HA LYS 17 -14.464 7.623 0.905 123 HB2 LYS 17 HB2 LYS 17 -14.476 5.855 2.599 124 HB3 LYS 17 HB3 LYS 17 -12.770 6.105 2.935 125 HG2 LYS 17 HG2 LYS 17 -14.155 7.050 4.720 126 HG3 LYS 17 HG3 LYS 17 -13.249 8.317 3.887 127 HD2 LYS 17 HD2 LYS 17 -15.325 8.856 2.552 128 HD3 LYS 17 HD3 LYS 17 -16.210 7.663 3.512 129 HE2 LYS 17 HE2 LYS 17 -15.793 8.966 5.548 130 HE3 LYS 17 HE3 LYS 17 -14.806 10.110 4.640 131 HZ1 LYS 17 HZ1 LYS 17 -16.752 10.745 3.377 132 HZ2 LYS 17 HZ2 LYS 17 -17.021 10.964 5.030 133 HZ3 LYS 17 HZ3 LYS 17 -17.708 9.642 4.229 134 H ALA 18 H ALA 18 -10.998 7.094 1.416 135 HA ALA 18 HA ALA 18 -10.259 9.706 2.184 136 HB1 ALA 18 HB1 ALA 18 -8.867 7.723 2.550 137 HB2 ALA 18 HB2 ALA 18 -7.980 8.960 1.660 138 HB3 ALA 18 HB3 ALA 18 -8.626 7.551 0.808 139 H GLU 19 H GLU 19 -10.509 8.129 -0.981 140 HA GLU 19 HA GLU 19 -9.070 10.024 -2.508 141 HB2 GLU 19 HB2 GLU 19 -9.755 7.533 -3.021 142 HB3 GLU 19 HB3 GLU 19 -11.230 8.227 -3.681 143 HG2 GLU 19 HG2 GLU 19 -8.408 8.854 -4.612 144 HG3 GLU 19 HG3 GLU 19 -9.477 7.692 -5.378 145 H GLU 20 H GLU 20 -12.513 9.620 -1.782 146 HA GLU 20 HA GLU 20 -13.480 11.699 -3.468 147 HB2 GLU 20 HB2 GLU 20 -14.796 10.507 -0.990 148 HB3 GLU 20 HB3 GLU 20 -15.602 11.475 -2.223 149 HG2 GLU 20 HG2 GLU 20 -14.457 8.685 -2.527 150 HG3 GLU 20 HG3 GLU 20 -16.151 9.142 -2.553 151 H LEU 21 H LEU 21 -12.209 11.637 -0.195 152 HA LEU 21 HA LEU 21 -12.930 14.409 0.404 153 HB2 LEU 21 HB2 LEU 21 -11.208 12.413 1.922 154 HB3 LEU 21 HB3 LEU 21 -11.663 14.001 2.519 155 HG LEU 21 HG LEU 21 -13.593 11.707 1.982 156 HD11 LEU 21 HD11 LEU 21 -13.814 11.589 4.435 157 HD12 LEU 21 HD12 LEU 21 -12.549 12.812 4.611 158 HD13 LEU 21 HD13 LEU 21 -12.169 11.237 3.906 159 HD21 LEU 21 HD21 LEU 21 -14.685 13.874 1.631 160 HD22 LEU 21 HD22 LEU 21 -14.117 14.443 3.205 161 HD23 LEU 21 HD23 LEU 21 -15.277 13.114 3.104 162 H ASN 22 H ASN 22 -10.492 12.914 -1.361 163 HA ASN 22 HA ASN 22 -8.532 13.500 -2.294 164 HB2 ASN 22 HB2 ASN 22 -9.128 16.280 -1.223 165 HB3 ASN 22 HB3 ASN 22 -7.766 15.917 -2.273 166 HD21 ASN 22 HD21 ASN 22 -8.425 17.220 -3.952 167 HD22 ASN 22 HD22 ASN 22 -9.829 16.895 -4.906 168 H GLN 23 H GLN 23 -8.663 12.499 0.446 169 HA GLN 23 HA GLN 23 -6.396 13.634 1.862 170 HB2 GLN 23 HB2 GLN 23 -8.015 11.143 2.538 171 HB3 GLN 23 HB3 GLN 23 -6.869 11.963 3.597 172 HG2 GLN 23 HG2 GLN 23 -9.495 13.103 2.609 173 HG3 GLN 23 HG3 GLN 23 -9.207 12.407 4.196 174 HE21 GLN 23 HE21 GLN 23 -9.794 14.244 5.277 175 HE22 GLN 23 HE22 GLN 23 -8.866 15.699 5.272 176 H GLY 24 H GLY 24 -4.596 13.269 0.669 177 HA2 GLY 24 HA2 GLY 24 -3.771 10.987 -0.695 178 HA3 GLY 24 HA3 GLY 24 -2.707 12.187 0.021 179 H GLU 25 H GLU 25 -3.241 11.885 2.729 180 HA GLU 25 HA GLU 25 -1.378 9.964 3.442 181 HB2 GLU 25 HB2 GLU 25 -2.173 10.295 5.813 182 HB3 GLU 25 HB3 GLU 25 -1.813 11.788 4.951 183 HG2 GLU 25 HG2 GLU 25 -4.129 12.308 4.682 184 HG3 GLU 25 HG3 GLU 25 -4.624 10.699 5.199 185 H LEU 26 H LEU 26 -4.955 9.681 3.731 186 HA LEU 26 HA LEU 26 -4.864 7.055 4.846 187 HB2 LEU 26 HB2 LEU 26 -7.120 8.695 3.695 188 HB3 LEU 26 HB3 LEU 26 -7.357 7.091 4.357 189 HG LEU 26 HG LEU 26 -5.965 8.540 6.389 190 HD11 LEU 26 HD11 LEU 26 -7.367 10.475 6.844 191 HD12 LEU 26 HD12 LEU 26 -8.243 10.222 5.330 192 HD13 LEU 26 HD13 LEU 26 -6.530 10.649 5.303 193 HD21 LEU 26 HD21 LEU 26 -7.597 6.776 6.793 194 HD22 LEU 26 HD22 LEU 26 -8.904 7.825 6.225 195 HD23 LEU 26 HD23 LEU 26 -8.011 8.235 7.697 196 H MET 27 H MET 27 -5.024 8.300 1.547 197 HA MET 27 HA MET 27 -5.831 5.866 0.277 198 HB2 MET 27 HB2 MET 27 -4.337 8.277 -0.821 199 HB3 MET 27 HB3 MET 27 -4.811 6.907 -1.815 200 HG2 MET 27 HG2 MET 27 -7.208 7.389 -1.081 201 HG3 MET 27 HG3 MET 27 -6.595 8.930 -0.474 202 HE1 MET 27 HE1 MET 27 -4.191 9.092 -2.909 203 HE2 MET 27 HE2 MET 27 -4.996 10.503 -2.211 204 HE3 MET 27 HE3 MET 27 -5.007 10.253 -3.957 205 H GLY 28 H GLY 28 -2.670 7.343 0.956 206 HA2 GLY 28 HA2 GLY 28 -1.006 5.420 -0.259 207 HA3 GLY 28 HA3 GLY 28 -0.541 6.524 1.027 208 H ARG 29 H ARG 29 -2.226 5.758 3.053 209 HA ARG 29 HA ARG 29 -1.035 3.500 4.237 210 HB2 ARG 29 HB2 ARG 29 -3.689 4.865 4.881 211 HB3 ARG 29 HB3 ARG 29 -2.906 3.675 5.924 212 HG2 ARG 29 HG2 ARG 29 -1.084 5.138 6.397 213 HG3 ARG 29 HG3 ARG 29 -1.543 6.252 5.106 214 HD2 ARG 29 HD2 ARG 29 -3.684 6.706 6.396 215 HD3 ARG 29 HD3 ARG 29 -2.996 5.773 7.733 216 HE ARG 29 HE ARG 29 -1.196 7.795 6.863 217 HH11 ARG 29 HH11 ARG 29 -4.135 7.437 8.754 218 HH12 ARG 29 HH12 ARG 29 -3.850 8.864 9.694 219 HH21 ARG 29 HH21 ARG 29 -0.854 9.666 8.058 220 HH22 ARG 29 HH22 ARG 29 -1.979 10.133 9.291 221 H ALA 30 H ALA 30 -4.136 3.925 2.561 222 HA ALA 30 HA ALA 30 -5.280 1.403 2.985 223 HB1 ALA 30 HB1 ALA 30 -6.755 1.954 1.105 224 HB2 ALA 30 HB2 ALA 30 -5.669 3.261 0.611 225 HB3 ALA 30 HB3 ALA 30 -6.528 3.362 2.153 226 H LEU 31 H LEU 31 -3.423 2.596 0.162 227 HA LEU 31 HA LEU 31 -3.407 0.183 -1.308 228 HB2 LEU 31 HB2 LEU 31 -1.477 2.534 -1.395 229 HB3 LEU 31 HB3 LEU 31 -1.528 1.243 -2.594 230 HG LEU 31 HG LEU 31 -3.816 3.167 -2.023 231 HD11 LEU 31 HD11 LEU 31 -3.277 4.209 -4.163 232 HD12 LEU 31 HD12 LEU 31 -1.881 3.144 -4.349 233 HD13 LEU 31 HD13 LEU 31 -1.921 4.330 -3.042 234 HD21 LEU 31 HD21 LEU 31 -4.611 0.986 -2.827 235 HD22 LEU 31 HD22 LEU 31 -3.508 1.071 -4.206 236 HD23 LEU 31 HD23 LEU 31 -4.837 2.227 -4.055 237 H TYR 32 H TYR 32 -1.231 1.499 1.141 238 HA TYR 32 HA TYR 32 0.887 -0.343 0.884 239 HB2 TYR 32 HB2 TYR 32 1.114 1.766 2.172 240 HB3 TYR 32 HB3 TYR 32 -0.040 1.179 3.368 241 HD1 TYR 32 HD2 TYR 32 3.072 -0.140 1.708 242 HD2 TYR 32 HD1 TYR 32 0.983 0.476 5.388 243 HE1 TYR 32 HE2 TYR 32 4.926 -1.172 2.934 244 HE2 TYR 32 HE1 TYR 32 2.848 -0.564 6.611 245 HH TYR 32 HH TYR 32 5.865 -1.360 5.051 246 H ASN 33 H ASN 33 -1.998 -0.342 3.001 247 HA ASN 33 HA ASN 33 -1.469 -2.817 4.279 248 HB2 ASN 33 HB2 ASN 33 -4.027 -1.200 3.998 249 HB3 ASN 33 HB3 ASN 33 -3.958 -2.709 4.900 250 HD21 ASN 33 HD21 ASN 33 -3.588 0.635 5.112 251 HD22 ASN 33 HD22 ASN 33 -2.853 0.697 6.674 252 H ILE 34 H ILE 34 -3.383 -1.958 1.405 253 HA ILE 34 HA ILE 34 -4.522 -4.464 0.815 254 HB ILE 34 HB ILE 34 -3.754 -2.122 -0.972 255 HG12 ILE 34 HG12 ILE 34 -6.505 -3.151 -0.137 256 HG13 ILE 34 HG13 ILE 34 -5.662 -1.806 0.624 257 HG21 ILE 34 HG21 ILE 34 -5.198 -4.641 -1.867 258 HG22 ILE 34 HG22 ILE 34 -3.615 -4.086 -2.412 259 HG23 ILE 34 HG23 ILE 34 -5.055 -3.161 -2.824 260 HD11 ILE 34 HD11 ILE 34 -6.612 -1.900 -2.239 261 HD12 ILE 34 HD12 ILE 34 -5.755 -0.557 -1.478 262 HD13 ILE 34 HD13 ILE 34 -7.358 -1.018 -0.907 263 H GLY 35 H GLY 35 -1.448 -2.984 -0.174 264 HA2 GLY 35 HA2 GLY 35 -0.445 -5.022 -1.829 265 HA3 GLY 35 HA3 GLY 35 0.505 -3.797 -1.002 266 H LEU 36 H LEU 36 -0.180 -4.458 1.670 267 HA LEU 36 HA LEU 36 1.603 -6.537 2.323 268 HB2 LEU 36 HB2 LEU 36 -0.621 -5.290 3.991 269 HB3 LEU 36 HB3 LEU 36 0.579 -6.399 4.638 270 HG LEU 36 HG LEU 36 1.210 -3.672 3.439 271 HD11 LEU 36 HD11 LEU 36 1.675 -2.948 5.727 272 HD12 LEU 36 HD12 LEU 36 1.131 -4.512 6.343 273 HD13 LEU 36 HD13 LEU 36 -0.009 -3.431 5.534 274 HD21 LEU 36 HD21 LEU 36 3.026 -5.629 4.882 275 HD22 LEU 36 HD22 LEU 36 3.470 -4.002 4.357 276 HD23 LEU 36 HD23 LEU 36 3.077 -5.235 3.162 277 H GLU 37 H GLU 37 -1.942 -6.477 2.030 278 HA GLU 37 HA GLU 37 -2.345 -9.181 2.888 279 HB2 GLU 37 HB2 GLU 37 -4.220 -7.308 1.404 280 HB3 GLU 37 HB3 GLU 37 -4.692 -8.839 2.143 281 HG2 GLU 37 HG2 GLU 37 -3.679 -6.360 3.573 282 HG3 GLU 37 HG3 GLU 37 -5.326 -6.984 3.576 283 H LYS 38 H LYS 38 -1.850 -7.682 -0.268 284 HA LYS 38 HA LYS 38 -2.283 -9.942 -1.918 285 HB2 LYS 38 HB2 LYS 38 -0.760 -7.362 -2.154 286 HB3 LYS 38 HB3 LYS 38 -0.216 -8.645 -3.214 287 HG2 LYS 38 HG2 LYS 38 -1.764 -7.205 -4.371 288 HG3 LYS 38 HG3 LYS 38 -2.445 -8.826 -4.200 289 HD2 LYS 38 HD2 LYS 38 -3.857 -8.037 -2.346 290 HD3 LYS 38 HD3 LYS 38 -3.151 -6.423 -2.485 291 HE2 LYS 38 HE2 LYS 38 -5.372 -6.579 -3.583 292 HE3 LYS 38 HE3 LYS 38 -4.099 -6.157 -4.721 293 HZ1 LYS 38 HZ1 LYS 38 -4.048 -8.450 -5.473 294 HZ2 LYS 38 HZ2 LYS 38 -5.605 -7.805 -5.636 295 HZ3 LYS 38 HZ3 LYS 38 -5.255 -8.865 -4.365 296 H ASN 39 H ASN 39 0.542 -8.729 -0.198 297 HA ASN 39 HA ASN 39 2.457 -10.643 -0.993 298 HB2 ASN 39 HB2 ASN 39 2.833 -8.305 0.023 299 HB3 ASN 39 HB3 ASN 39 2.490 -9.022 1.593 300 HD21 ASN 39 HD21 ASN 39 4.507 -8.673 2.456 301 HD22 ASN 39 HD22 ASN 39 5.942 -9.444 1.883 302 H LYS 40 H LYS 40 0.050 -10.613 1.586 303 HA LYS 40 HA LYS 40 0.948 -12.807 3.161 304 HB2 LYS 40 HB2 LYS 40 -1.908 -11.838 2.684 305 HB3 LYS 40 HB3 LYS 40 -1.422 -12.955 3.956 306 HG2 LYS 40 HG2 LYS 40 -0.559 -10.068 3.713 307 HG3 LYS 40 HG3 LYS 40 -1.814 -10.678 4.787 308 HD2 LYS 40 HD2 LYS 40 -0.109 -12.038 5.980 309 HD3 LYS 40 HD3 LYS 40 1.148 -11.397 4.911 310 HE2 LYS 40 HE2 LYS 40 1.085 -10.223 7.101 311 HE3 LYS 40 HE3 LYS 40 0.751 -9.130 5.756 312 HZ1 LYS 40 HZ1 LYS 40 -1.293 -10.363 7.528 313 HZ2 LYS 40 HZ2 LYS 40 -1.606 -9.297 6.256 314 HZ3 LYS 40 HZ3 LYS 40 -0.748 -8.764 7.610 315 H MET 41 H MET 41 -1.143 -12.535 0.330 316 HA MET 41 HA MET 41 -1.840 -15.351 0.210 317 HB2 MET 41 HB2 MET 41 -2.323 -13.113 -1.811 318 HB3 MET 41 HB3 MET 41 -3.057 -14.713 -1.852 319 HG2 MET 41 HG2 MET 41 -4.180 -14.217 0.308 320 HG3 MET 41 HG3 MET 41 -3.506 -12.589 0.259 321 HE1 MET 41 HE1 MET 41 -3.730 -11.905 -2.886 322 HE2 MET 41 HE2 MET 41 -4.171 -10.772 -1.605 323 HE3 MET 41 HE3 MET 41 -5.301 -11.106 -2.918 324 H GLY 42 H GLY 42 0.943 -13.748 -0.495 325 HA2 GLY 42 HA2 GLY 42 2.854 -14.429 -1.550 326 HA3 GLY 42 HA3 GLY 42 1.996 -15.801 -2.233 327 H LYS 43 H LYS 43 0.215 -13.039 -2.849 328 HA LYS 43 HA LYS 43 1.032 -12.886 -5.642 329 HB2 LYS 43 HB2 LYS 43 -1.136 -11.372 -4.120 330 HB3 LYS 43 HB3 LYS 43 -0.878 -11.321 -5.868 331 HG2 LYS 43 HG2 LYS 43 -1.306 -13.810 -5.921 332 HG3 LYS 43 HG3 LYS 43 -1.751 -13.709 -4.210 333 HD2 LYS 43 HD2 LYS 43 -3.555 -12.099 -4.786 334 HD3 LYS 43 HD3 LYS 43 -3.108 -12.204 -6.492 335 HE2 LYS 43 HE2 LYS 43 -3.673 -14.644 -6.425 336 HE3 LYS 43 HE3 LYS 43 -4.233 -14.433 -4.762 337 HZ1 LYS 43 HZ1 LYS 43 -5.334 -13.065 -7.161 338 HZ2 LYS 43 HZ2 LYS 43 -5.854 -12.831 -5.571 339 HZ3 LYS 43 HZ3 LYS 43 -6.063 -14.333 -6.312 340 H VAL 44 H VAL 44 3.155 -12.205 -4.983 341 HA VAL 44 HA VAL 44 3.607 -9.790 -3.510 342 HB VAL 44 HB VAL 44 5.587 -11.553 -5.024 343 HG11 VAL 44 HG11 VAL 44 7.278 -10.615 -3.487 344 HG12 VAL 44 HG12 VAL 44 6.054 -9.542 -2.800 345 HG13 VAL 44 HG13 VAL 44 6.541 -9.364 -4.488 346 HG21 VAL 44 HG21 VAL 44 4.334 -12.865 -3.356 347 HG22 VAL 44 HG22 VAL 44 4.741 -11.690 -2.103 348 HG23 VAL 44 HG23 VAL 44 6.015 -12.659 -2.852 349 H LYS 45 H LYS 45 3.331 -10.605 -6.888 350 HA LYS 45 HA LYS 45 4.874 -8.458 -7.988 351 HB2 LYS 45 HB2 LYS 45 2.751 -10.269 -9.210 352 HB3 LYS 45 HB3 LYS 45 3.512 -8.981 -10.129 353 HG2 LYS 45 HG2 LYS 45 4.577 -11.119 -10.615 354 HG3 LYS 45 HG3 LYS 45 5.711 -10.016 -9.831 355 HD2 LYS 45 HD2 LYS 45 5.373 -11.203 -7.678 356 HD3 LYS 45 HD3 LYS 45 4.236 -12.306 -8.460 357 HE2 LYS 45 HE2 LYS 45 7.152 -12.006 -9.255 358 HE3 LYS 45 HE3 LYS 45 6.543 -13.242 -8.156 359 HZ1 LYS 45 HZ1 LYS 45 5.758 -12.907 -11.000 360 HZ2 LYS 45 HZ2 LYS 45 5.141 -14.076 -9.948 361 HZ3 LYS 45 HZ3 LYS 45 6.773 -14.106 -10.377 362 H GLU 46 H GLU 46 1.409 -8.897 -7.269 363 HA GLU 46 HA GLU 46 0.535 -6.296 -8.073 364 HB2 GLU 46 HB2 GLU 46 -0.714 -8.152 -5.995 365 HB3 GLU 46 HB3 GLU 46 -1.476 -6.711 -6.670 366 HG2 GLU 46 HG2 GLU 46 -1.427 -7.800 -8.916 367 HG3 GLU 46 HG3 GLU 46 -0.780 -9.258 -8.162 368 H ALA 47 H ALA 47 1.664 -7.724 -5.032 369 HA ALA 47 HA ALA 47 1.153 -5.717 -3.196 370 HB1 ALA 47 HB1 ALA 47 3.553 -7.582 -3.242 371 HB2 ALA 47 HB2 ALA 47 1.957 -7.978 -2.597 372 HB3 ALA 47 HB3 ALA 47 2.935 -6.721 -1.832 373 H ILE 48 H ILE 48 4.026 -6.176 -5.233 374 HA ILE 48 HA ILE 48 5.627 -4.014 -4.576 375 HB ILE 48 HB ILE 48 5.161 -5.418 -7.245 376 HG12 ILE 48 HG12 ILE 48 7.531 -5.633 -5.329 377 HG13 ILE 48 HG13 ILE 48 6.170 -6.749 -5.337 378 HG21 ILE 48 HG21 ILE 48 7.267 -4.414 -8.089 379 HG22 ILE 48 HG22 ILE 48 7.352 -3.401 -6.646 380 HG23 ILE 48 HG23 ILE 48 6.025 -3.197 -7.794 381 HD11 ILE 48 HD11 ILE 48 8.075 -7.672 -6.504 382 HD12 ILE 48 HD12 ILE 48 8.099 -6.302 -7.611 383 HD13 ILE 48 HD13 ILE 48 6.732 -7.422 -7.618 384 H GLU 49 H GLU 49 3.023 -4.153 -7.033 385 HA GLU 49 HA GLU 49 3.282 -1.541 -8.022 386 HB2 GLU 49 HB2 GLU 49 0.731 -3.202 -7.906 387 HB3 GLU 49 HB3 GLU 49 1.038 -1.836 -8.981 388 HG2 GLU 49 HG2 GLU 49 2.408 -4.538 -9.007 389 HG3 GLU 49 HG3 GLU 49 1.276 -3.909 -10.203 390 H TYR 50 H TYR 50 1.291 -2.809 -5.380 391 HA TYR 50 HA TYR 50 -0.081 -0.366 -4.835 392 HB2 TYR 50 HB2 TYR 50 0.231 -2.953 -3.288 393 HB3 TYR 50 HB3 TYR 50 -0.664 -1.580 -2.650 394 HD1 TYR 50 HD2 TYR 50 -2.618 -0.647 -4.080 395 HD2 TYR 50 HD1 TYR 50 -0.870 -4.487 -4.742 396 HE1 TYR 50 HE2 TYR 50 -4.630 -1.352 -5.302 397 HE2 TYR 50 HE1 TYR 50 -2.862 -5.188 -5.972 398 HH TYR 50 HH TYR 50 -5.201 -3.024 -7.054 399 H PHE 51 H PHE 51 2.901 -1.852 -3.583 400 HA PHE 51 HA PHE 51 3.299 0.078 -1.482 401 HB2 PHE 51 HB2 PHE 51 5.358 -1.705 -2.833 402 HB3 PHE 51 HB3 PHE 51 5.630 -0.773 -1.366 403 HD1 PHE 51 HD1 PHE 51 2.927 -1.457 0.003 404 HD2 PHE 51 HD2 PHE 51 5.883 -3.844 -1.983 405 HE1 PHE 51 HE1 PHE 51 2.291 -3.398 1.366 406 HE2 PHE 51 HE2 PHE 51 5.225 -5.781 -0.624 407 HZ PHE 51 HZ PHE 51 3.434 -5.561 1.054 408 H LEU 52 H LEU 52 4.022 -0.073 -4.903 409 HA LEU 52 HA LEU 52 5.980 2.026 -5.038 410 HB2 LEU 52 HB2 LEU 52 4.125 0.818 -7.125 411 HB3 LEU 52 HB3 LEU 52 5.239 2.119 -7.518 412 HG LEU 52 HG LEU 52 6.109 -0.614 -6.478 413 HD11 LEU 52 HD11 LEU 52 6.820 -1.100 -8.769 414 HD12 LEU 52 HD12 LEU 52 6.136 0.430 -9.326 415 HD13 LEU 52 HD13 LEU 52 5.079 -0.835 -8.691 416 HD21 LEU 52 HD21 LEU 52 7.732 1.670 -7.658 417 HD22 LEU 52 HD22 LEU 52 8.358 0.085 -7.187 418 HD23 LEU 52 HD23 LEU 52 7.715 1.174 -5.961 419 H ARG 53 H ARG 53 2.494 1.842 -5.666 420 HA ARG 53 HA ARG 53 1.996 4.577 -6.150 421 HB2 ARG 53 HB2 ARG 53 0.148 2.365 -5.162 422 HB3 ARG 53 HB3 ARG 53 -0.410 3.963 -5.655 423 HG2 ARG 53 HG2 ARG 53 0.314 3.589 -7.936 424 HG3 ARG 53 HG3 ARG 53 1.091 2.065 -7.493 425 HD2 ARG 53 HD2 ARG 53 -1.083 1.696 -8.605 426 HD3 ARG 53 HD3 ARG 53 -1.082 1.084 -6.948 427 HE ARG 53 HE ARG 53 -2.114 3.776 -7.210 428 HH11 ARG 53 HH11 ARG 53 -3.007 0.366 -7.329 429 HH12 ARG 53 HH12 ARG 53 -4.680 0.677 -6.984 430 HH21 ARG 53 HH21 ARG 53 -4.302 4.148 -6.712 431 HH22 ARG 53 HH22 ARG 53 -5.405 2.811 -6.638 432 H ALA 54 H ALA 54 1.712 2.607 -3.193 433 HA ALA 54 HA ALA 54 0.611 4.502 -1.448 434 HB1 ALA 54 HB1 ALA 54 2.421 2.161 -0.776 435 HB2 ALA 54 HB2 ALA 54 0.667 2.084 -0.972 436 HB3 ALA 54 HB3 ALA 54 1.369 3.011 0.358 437 H LYS 55 H LYS 55 4.002 3.514 -1.921 438 HA LYS 55 HA LYS 55 5.266 5.172 -0.071 439 HB2 LYS 55 HB2 LYS 55 6.456 3.331 -1.182 440 HB3 LYS 55 HB3 LYS 55 6.278 4.121 -2.748 441 HG2 LYS 55 HG2 LYS 55 7.702 6.016 -1.877 442 HG3 LYS 55 HG3 LYS 55 7.980 5.064 -0.413 443 HD2 LYS 55 HD2 LYS 55 9.083 3.309 -1.732 444 HD3 LYS 55 HD3 LYS 55 8.715 4.170 -3.233 445 HE2 LYS 55 HE2 LYS 55 10.115 6.075 -2.434 446 HE3 LYS 55 HE3 LYS 55 10.545 5.130 -1.005 447 HZ1 LYS 55 HZ1 LYS 55 11.106 4.316 -3.805 448 HZ2 LYS 55 HZ2 LYS 55 11.608 3.522 -2.401 449 HZ3 LYS 55 HZ3 LYS 55 12.223 5.049 -2.771 450 H LYS 56 H LYS 56 4.499 5.720 -3.487 451 HA LYS 56 HA LYS 56 5.774 8.225 -3.776 452 HB2 LYS 56 HB2 LYS 56 5.125 6.622 -5.626 453 HB3 LYS 56 HB3 LYS 56 3.453 7.142 -5.426 454 HG2 LYS 56 HG2 LYS 56 4.076 9.438 -6.056 455 HG3 LYS 56 HG3 LYS 56 5.773 8.954 -6.179 456 HD2 LYS 56 HD2 LYS 56 5.127 7.343 -7.996 457 HD3 LYS 56 HD3 LYS 56 3.475 7.970 -7.923 458 HE2 LYS 56 HE2 LYS 56 4.749 8.989 -9.778 459 HE3 LYS 56 HE3 LYS 56 4.289 10.200 -8.580 460 HZ1 LYS 56 HZ1 LYS 56 6.576 10.486 -9.309 461 HZ2 LYS 56 HZ2 LYS 56 6.968 8.922 -8.794 462 HZ3 LYS 56 HZ3 LYS 56 6.525 10.097 -7.667 463 H VAL 57 H VAL 57 2.538 7.295 -2.730 464 HA VAL 57 HA VAL 57 1.443 9.944 -2.646 465 HB VAL 57 HB VAL 57 0.531 7.399 -1.213 466 HG11 VAL 57 HG11 VAL 57 -0.307 9.396 -0.049 467 HG12 VAL 57 HG12 VAL 57 -1.627 8.582 -0.892 468 HG13 VAL 57 HG13 VAL 57 -0.916 10.050 -1.572 469 HG21 VAL 57 HG21 VAL 57 0.419 7.237 -3.690 470 HG22 VAL 57 HG22 VAL 57 -0.539 8.714 -3.749 471 HG23 VAL 57 HG23 VAL 57 -1.199 7.265 -2.982 472 H PHE 58 H PHE 58 3.173 7.860 -0.298 473 HA PHE 58 HA PHE 58 2.988 9.642 1.933 474 HB2 PHE 58 HB2 PHE 58 5.045 7.468 1.339 475 HB3 PHE 58 HB3 PHE 58 4.969 8.360 2.856 476 HD1 PHE 58 HD2 PHE 58 2.224 8.415 3.676 477 HD2 PHE 58 HD1 PHE 58 4.302 5.260 1.651 478 HE1 PHE 58 HE2 PHE 58 0.660 6.760 4.613 479 HE2 PHE 58 HE1 PHE 58 2.737 3.624 2.596 480 HZ PHE 58 HZ PHE 58 0.919 4.369 4.079 481 H ASP 59 H ASP 59 5.182 9.427 -0.817 482 HA ASP 59 HA ASP 59 7.077 11.374 0.058 483 HB2 ASP 59 HB2 ASP 59 6.372 10.432 -2.751 484 HB3 ASP 59 HB3 ASP 59 7.714 11.515 -2.390 485 H ALA 60 H ALA 60 4.021 11.497 -1.693 486 HA ALA 60 HA ALA 60 4.032 14.279 -2.324 487 HB1 ALA 60 HB1 ALA 60 1.627 13.964 -2.779 488 HB2 ALA 60 HB2 ALA 60 1.680 12.377 -2.010 489 HB3 ALA 60 HB3 ALA 60 2.585 12.665 -3.497 490 H GLU 61 H GLU 61 2.995 12.409 0.490 491 HA GLU 61 HA GLU 61 1.923 14.653 1.957 492 HB2 GLU 61 HB2 GLU 61 2.739 11.857 2.870 493 HB3 GLU 61 HB3 GLU 61 1.901 13.033 3.882 494 HG2 GLU 61 HG2 GLU 61 0.819 11.776 1.340 495 HG3 GLU 61 HG3 GLU 61 0.381 11.321 2.986 496 H HIS 62 H HIS 62 5.045 13.555 1.222 497 HA HIS 62 HA HIS 62 7.151 13.913 1.877 498 HB2 HIS 62 HB2 HIS 62 5.972 16.237 3.442 499 HB3 HIS 62 HB3 HIS 62 7.697 15.996 3.196 500 HD1 HIS 62 HD1 HIS 62 5.334 18.164 2.029 501 HD2 HIS 62 HD2 HIS 62 7.905 15.591 0.035 502 HE1 HIS 62 HE1 HIS 62 5.581 19.108 -0.279 503 HE2 HIS 62 HE2 HIS 62 7.318 17.656 -1.379 504 H ASP 63 H ASP 63 5.277 12.251 3.479 505 HA ASP 63 HA ASP 63 6.334 12.161 6.177 506 HB2 ASP 63 HB2 ASP 63 3.938 11.599 5.641 507 HB3 ASP 63 HB3 ASP 63 4.486 10.214 4.710 508 H THR 64 H THR 64 8.421 11.479 6.322 509 HA THR 64 HA THR 64 9.704 9.905 4.329 510 HB THR 64 HB THR 64 10.954 11.614 5.592 511 HG1 THR 64 HG1 THR 64 12.072 9.766 4.697 512 HG21 THR 64 HG21 THR 64 11.692 11.239 7.911 513 HG22 THR 64 HG22 THR 64 10.720 9.768 7.999 514 HG23 THR 64 HG23 THR 64 9.930 11.336 7.828 515 H ASP 65 H ASP 65 8.383 9.131 7.544 516 HA ASP 65 HA ASP 65 9.620 6.645 7.981 517 HB2 ASP 65 HB2 ASP 65 8.471 7.896 9.769 518 HB3 ASP 65 HB3 ASP 65 6.918 7.670 8.972 519 H GLY 66 H GLY 66 6.447 7.424 6.554 520 HA2 GLY 66 HA2 GLY 66 5.619 4.736 6.102 521 HA3 GLY 66 HA3 GLY 66 4.891 6.183 5.425 522 H ALA 67 H ALA 67 7.205 7.177 4.056 523 HA ALA 67 HA ALA 67 7.061 5.760 1.603 524 HB1 ALA 67 HB1 ALA 67 7.587 8.153 1.746 525 HB2 ALA 67 HB2 ALA 67 8.837 7.285 0.853 526 HB3 ALA 67 HB3 ALA 67 9.129 7.780 2.526 527 H ARG 68 H ARG 68 9.554 5.856 4.134 528 HA ARG 68 HA ARG 68 11.402 4.075 2.880 529 HB2 ARG 68 HB2 ARG 68 11.106 4.942 5.789 530 HB3 ARG 68 HB3 ARG 68 12.455 3.986 5.177 531 HG2 ARG 68 HG2 ARG 68 13.162 5.829 3.737 532 HG3 ARG 68 HG3 ARG 68 11.759 6.786 4.224 533 HD2 ARG 68 HD2 ARG 68 13.835 7.480 5.406 534 HD3 ARG 68 HD3 ARG 68 12.586 6.902 6.515 535 HE ARG 68 HE ARG 68 14.375 4.817 5.742 536 HH11 ARG 68 HH11 ARG 68 14.152 7.553 7.960 537 HH12 ARG 68 HH12 ARG 68 15.277 6.873 9.085 538 HH21 ARG 68 HH21 ARG 68 15.800 3.939 7.221 539 HH22 ARG 68 HH22 ARG 68 16.218 4.807 8.664 540 H ARG 69 H ARG 69 8.632 3.655 4.980 541 HA ARG 69 HA ARG 69 9.156 0.946 5.782 542 HB2 ARG 69 HB2 ARG 69 7.775 2.622 7.062 543 HB3 ARG 69 HB3 ARG 69 6.534 2.500 5.821 544 HG2 ARG 69 HG2 ARG 69 6.170 0.140 6.396 545 HG3 ARG 69 HG3 ARG 69 7.473 0.216 7.587 546 HD2 ARG 69 HD2 ARG 69 4.881 1.797 7.666 547 HD3 ARG 69 HD3 ARG 69 5.279 0.404 8.677 548 HE ARG 69 HE ARG 69 6.351 3.137 8.900 549 HH11 ARG 69 HH11 ARG 69 6.349 -0.155 10.151 550 HH12 ARG 69 HH12 ARG 69 7.120 0.292 11.638 551 HH21 ARG 69 HH21 ARG 69 7.369 3.694 10.831 552 HH22 ARG 69 HH22 ARG 69 7.699 2.479 12.027 553 H ALA 70 H ALA 70 7.241 2.501 3.240 554 HA ALA 70 HA ALA 70 6.141 0.077 2.152 555 HB1 ALA 70 HB1 ALA 70 6.351 2.843 0.916 556 HB2 ALA 70 HB2 ALA 70 4.993 2.230 1.864 557 HB3 ALA 70 HB3 ALA 70 5.374 1.508 0.298 558 H ALA 71 H ALA 71 8.995 2.044 1.600 559 HA ALA 71 HA ALA 71 9.969 0.696 -0.720 560 HB1 ALA 71 HB1 ALA 71 12.080 1.868 -0.242 561 HB2 ALA 71 HB2 ALA 71 11.472 2.331 1.352 562 HB3 ALA 71 HB3 ALA 71 10.701 2.962 -0.105 563 H LYS 72 H LYS 72 10.206 0.118 2.749 564 HA LYS 72 HA LYS 72 12.244 -1.887 2.651 565 HB2 LYS 72 HB2 LYS 72 11.703 -0.679 4.760 566 HB3 LYS 72 HB3 LYS 72 10.108 -1.432 4.780 567 HG2 LYS 72 HG2 LYS 72 11.223 -3.680 4.915 568 HG3 LYS 72 HG3 LYS 72 12.785 -2.859 5.023 569 HD2 LYS 72 HD2 LYS 72 12.068 -1.790 7.146 570 HD3 LYS 72 HD3 LYS 72 10.499 -2.598 7.024 571 HE2 LYS 72 HE2 LYS 72 11.646 -4.799 7.133 572 HE3 LYS 72 HE3 LYS 72 13.197 -3.973 7.302 573 HZ1 LYS 72 HZ1 LYS 72 10.923 -3.863 9.204 574 HZ2 LYS 72 HZ2 LYS 72 12.356 -2.990 9.364 575 HZ3 LYS 72 HZ3 LYS 72 12.388 -4.677 9.431 576 H SER 73 H SER 73 8.697 -1.925 2.794 577 HA SER 73 HA SER 73 8.314 -4.717 2.689 578 HB2 SER 73 HB2 SER 73 6.491 -2.450 1.787 579 HB3 SER 73 HB3 SER 73 5.986 -4.130 2.021 580 HG SER 73 HG SER 73 7.162 -3.501 4.233 581 H LEU 74 H LEU 74 8.864 -2.292 0.167 582 HA LEU 74 HA LEU 74 8.509 -3.953 -2.097 583 HB2 LEU 74 HB2 LEU 74 9.917 -1.345 -1.582 584 HB3 LEU 74 HB3 LEU 74 10.285 -2.184 -3.080 585 HG LEU 74 HG LEU 74 7.453 -1.485 -2.251 586 HD11 LEU 74 HD11 LEU 74 9.235 0.095 -4.102 587 HD12 LEU 74 HD12 LEU 74 8.685 0.603 -2.502 588 HD13 LEU 74 HD13 LEU 74 7.516 0.375 -3.804 589 HD21 LEU 74 HD21 LEU 74 8.641 -2.352 -4.903 590 HD22 LEU 74 HD22 LEU 74 6.960 -1.872 -4.641 591 HD23 LEU 74 HD23 LEU 74 7.597 -3.315 -3.851 592 H SER 75 H SER 75 11.401 -3.226 -0.111 593 HA SER 75 HA SER 75 13.297 -4.681 -1.589 594 HB2 SER 75 HB2 SER 75 13.884 -3.076 0.225 595 HB3 SER 75 HB3 SER 75 13.256 -4.199 1.431 596 HG SER 75 HG SER 75 14.875 -5.719 0.443 597 H GLU 76 H GLU 76 11.345 -5.680 1.215 598 HA GLU 76 HA GLU 76 12.079 -8.384 1.313 599 HB2 GLU 76 HB2 GLU 76 9.531 -6.976 2.200 600 HB3 GLU 76 HB3 GLU 76 9.914 -8.653 2.601 601 HG2 GLU 76 HG2 GLU 76 11.510 -6.201 3.423 602 HG3 GLU 76 HG3 GLU 76 10.419 -7.119 4.461 603 H ALA 77 H ALA 77 9.598 -6.698 -0.559 604 HA ALA 77 HA ALA 77 8.160 -8.939 -1.502 605 HB1 ALA 77 HB1 ALA 77 8.491 -6.202 -2.779 606 HB2 ALA 77 HB2 ALA 77 7.263 -6.651 -1.591 607 HB3 ALA 77 HB3 ALA 77 7.256 -7.388 -3.196 608 H TYR 78 H TYR 78 10.878 -7.104 -2.942 609 HA TYR 78 HA TYR 78 11.000 -8.589 -5.349 610 HB2 TYR 78 HB2 TYR 78 13.022 -6.790 -3.979 611 HB3 TYR 78 HB3 TYR 78 13.365 -7.583 -5.517 612 HD1 TYR 78 HD2 TYR 78 11.354 -7.270 -7.331 613 HD2 TYR 78 HD1 TYR 78 12.201 -4.584 -4.121 614 HE1 TYR 78 HE2 TYR 78 10.203 -5.472 -8.529 615 HE2 TYR 78 HE1 TYR 78 11.051 -2.798 -5.315 616 HH TYR 78 HH TYR 78 10.330 -2.177 -7.499 617 H GLN 79 H GLN 79 12.443 -9.056 -2.188 618 HA GLN 79 HA GLN 79 14.211 -11.190 -2.850 619 HB2 GLN 79 HB2 GLN 79 12.872 -10.367 -0.242 620 HB3 GLN 79 HB3 GLN 79 14.082 -11.645 -0.340 621 HG2 GLN 79 HG2 GLN 79 15.825 -10.155 -0.797 622 HG3 GLN 79 HG3 GLN 79 14.746 -8.915 -1.425 623 HE21 GLN 79 HE21 GLN 79 14.156 -10.500 1.674 624 HE22 GLN 79 HE22 GLN 79 14.514 -9.113 2.635 625 H LYS 80 H LYS 80 10.767 -11.031 -2.141 626 HA LYS 80 HA LYS 80 10.393 -13.904 -1.931 627 HB2 LYS 80 HB2 LYS 80 8.442 -11.573 -1.976 628 HB3 LYS 80 HB3 LYS 80 7.922 -13.256 -1.888 629 HG2 LYS 80 HG2 LYS 80 9.198 -13.527 0.232 630 HG3 LYS 80 HG3 LYS 80 9.672 -11.829 0.152 631 HD2 LYS 80 HD2 LYS 80 7.789 -12.214 1.721 632 HD3 LYS 80 HD3 LYS 80 7.343 -11.127 0.403 633 HE2 LYS 80 HE2 LYS 80 5.563 -12.795 0.953 634 HE3 LYS 80 HE3 LYS 80 6.112 -12.913 -0.714 635 HZ1 LYS 80 HZ1 LYS 80 6.897 -14.699 1.519 636 HZ2 LYS 80 HZ2 LYS 80 7.511 -14.796 -0.050 637 HZ3 LYS 80 HZ3 LYS 80 5.874 -15.084 0.235 638 H VAL 81 H VAL 81 10.168 -11.468 -4.434 639 HA VAL 81 HA VAL 81 8.991 -13.104 -6.484 640 HB VAL 81 HB VAL 81 10.696 -10.566 -6.601 641 HG11 VAL 81 HG11 VAL 81 10.004 -10.328 -8.978 642 HG12 VAL 81 HG12 VAL 81 9.280 -11.938 -8.916 643 HG13 VAL 81 HG13 VAL 81 11.030 -11.746 -8.717 644 HG21 VAL 81 HG21 VAL 81 7.711 -10.968 -7.017 645 HG22 VAL 81 HG22 VAL 81 8.573 -9.433 -7.162 646 HG23 VAL 81 HG23 VAL 81 8.476 -10.244 -5.598 647 H GLU 82 H GLU 82 12.260 -12.303 -5.462 648 HA GLU 82 HA GLU 82 13.570 -13.753 -7.607 649 HB2 GLU 82 HB2 GLU 82 14.371 -11.539 -6.642 650 HB3 GLU 82 HB3 GLU 82 14.768 -12.375 -5.154 651 HG2 GLU 82 HG2 GLU 82 16.757 -12.007 -6.501 652 HG3 GLU 82 HG3 GLU 82 16.419 -13.731 -6.337 653 H GLY 83 H GLY 83 15.171 -15.446 -7.133 654 HA2 GLY 83 HA2 GLY 83 14.285 -17.459 -5.251 655 HA3 GLY 83 HA3 GLY 83 15.644 -17.548 -6.359 656 H SER 84 H SER 84 14.695 -15.791 -3.397 657 HA SER 84 HA SER 84 17.307 -16.409 -2.152 658 HB2 SER 84 HB2 SER 84 17.352 -14.081 -1.200 659 HB3 SER 84 HB3 SER 84 17.494 -14.106 -2.956 660 HG SER 84 HG SER 84 14.902 -13.946 -2.208 661 H GLY 85 H GLY 85 14.215 -17.077 -1.977 662 HA2 GLY 85 HA2 GLY 85 13.417 -16.463 0.691 663 HA3 GLY 85 HA3 GLY 85 12.724 -17.694 -0.355 664 H ASP 86 H ASP 86 14.270 -19.618 -0.716 665 HA ASP 86 HA ASP 86 16.152 -20.275 1.357 666 HB2 ASP 86 HB2 ASP 86 13.969 -20.828 2.487 667 HB3 ASP 86 HB3 ASP 86 13.583 -21.936 1.175 668 H LYS 87 H LYS 87 17.720 -20.934 -0.001 669 HA LYS 87 HA LYS 87 17.217 -22.664 -2.300 670 HB2 LYS 87 HB2 LYS 87 19.836 -21.595 -1.142 671 HB3 LYS 87 HB3 LYS 87 19.691 -22.540 -2.624 672 HG2 LYS 87 HG2 LYS 87 18.287 -20.707 -3.597 673 HG3 LYS 87 HG3 LYS 87 18.581 -19.755 -2.133 674 HD2 LYS 87 HD2 LYS 87 20.991 -19.718 -2.597 675 HD3 LYS 87 HD3 LYS 87 20.776 -20.800 -3.974 676 HE2 LYS 87 HE2 LYS 87 19.382 -19.007 -5.065 677 HE3 LYS 87 HE3 LYS 87 19.818 -17.930 -3.733 678 HZ1 LYS 87 HZ1 LYS 87 21.236 -17.626 -5.677 679 HZ2 LYS 87 HZ2 LYS 87 21.743 -19.236 -5.587 680 HZ3 LYS 87 HZ3 LYS 87 22.132 -18.158 -4.346 681 H GLY 88 H GLY 88 16.591 -24.662 -1.576 682 HA2 GLY 88 HA2 GLY 88 18.416 -26.573 -0.729 683 HA3 GLY 88 HA3 GLY 88 17.650 -25.968 0.737 684 H LYS 89 H LYS 89 16.685 -27.944 1.171 685 HA LYS 89 HA LYS 89 14.488 -28.819 -0.629 686 HB2 LYS 89 HB2 LYS 89 14.823 -31.102 0.448 687 HB3 LYS 89 HB3 LYS 89 16.135 -30.555 -0.588 688 HG2 LYS 89 HG2 LYS 89 17.439 -29.894 1.417 689 HG3 LYS 89 HG3 LYS 89 16.128 -30.477 2.451 690 HD2 LYS 89 HD2 LYS 89 16.472 -32.768 1.686 691 HD3 LYS 89 HD3 LYS 89 17.641 -32.234 0.475 692 HE2 LYS 89 HE2 LYS 89 18.007 -32.021 3.485 693 HE3 LYS 89 HE3 LYS 89 18.765 -33.225 2.440 694 HZ1 LYS 89 HZ1 LYS 89 19.207 -30.283 2.360 695 HZ2 LYS 89 HZ2 LYS 89 19.843 -31.378 1.242 696 HZ3 LYS 89 HZ3 LYS 89 20.307 -31.468 2.862 697 H ILE 90 H ILE 90 12.487 -28.742 0.191 698 HA ILE 90 HA ILE 90 12.077 -27.925 3.006 699 HB ILE 90 HB ILE 90 10.279 -27.411 0.581 700 HG12 ILE 90 HG12 ILE 90 12.401 -26.090 0.453 701 HG13 ILE 90 HG13 ILE 90 10.998 -25.054 0.679 702 HG21 ILE 90 HG21 ILE 90 10.043 -26.343 3.426 703 HG22 ILE 90 HG22 ILE 90 8.980 -27.530 2.669 704 HG23 ILE 90 HG23 ILE 90 9.016 -25.875 2.063 705 HD11 ILE 90 HD11 ILE 90 12.987 -25.851 2.803 706 HD12 ILE 90 HD12 ILE 90 11.569 -24.827 3.062 707 HD13 ILE 90 HD13 ILE 90 12.866 -24.291 1.995 708 H PHE 91 H PHE 91 11.059 -29.343 4.282 709 HA PHE 91 HA PHE 91 9.910 -31.077 5.144 710 HB2 PHE 91 HB2 PHE 91 7.958 -29.769 4.331 711 HB3 PHE 91 HB3 PHE 91 8.033 -30.608 2.786 712 HD1 PHE 91 HD1 PHE 91 7.650 -31.279 6.458 713 HD2 PHE 91 HD2 PHE 91 6.733 -32.588 2.483 714 HE1 PHE 91 HE1 PHE 91 6.209 -33.041 7.360 715 HE2 PHE 91 HE2 PHE 91 5.288 -34.350 3.403 716 HZ PHE 91 HZ PHE 91 5.025 -34.580 5.845 717 H GLN 92 H GLN 92 11.551 -32.595 4.822 718 HA GLN 92 HA GLN 92 11.366 -34.379 2.469 719 HB2 GLN 92 HB2 GLN 92 13.591 -34.088 4.538 720 HB3 GLN 92 HB3 GLN 92 13.626 -35.163 3.139 721 HG2 GLN 92 HG2 GLN 92 13.565 -32.126 3.085 722 HG3 GLN 92 HG3 GLN 92 14.940 -33.159 2.698 723 HE21 GLN 92 HE21 GLN 92 11.933 -31.825 1.550 724 HE22 GLN 92 HE22 GLN 92 12.082 -32.352 -0.085 725 H LYS 93 H LYS 93 12.096 -36.714 3.123 726 HA LYS 93 HA LYS 93 9.854 -37.645 4.754 727 HB2 LYS 93 HB2 LYS 93 11.552 -39.094 2.668 728 HB3 LYS 93 HB3 LYS 93 10.223 -39.830 3.554 729 HG2 LYS 93 HG2 LYS 93 9.281 -39.249 1.473 730 HG3 LYS 93 HG3 LYS 93 8.727 -37.996 2.583 731 HD2 LYS 93 HD2 LYS 93 10.654 -36.547 1.715 732 HD3 LYS 93 HD3 LYS 93 10.910 -37.773 0.469 733 HE2 LYS 93 HE2 LYS 93 8.396 -36.116 0.895 734 HE3 LYS 93 HE3 LYS 93 9.562 -35.933 -0.415 735 HZ1 LYS 93 HZ1 LYS 93 7.811 -38.286 0.054 736 HZ2 LYS 93 HZ2 LYS 93 8.971 -38.172 -1.166 737 HZ3 LYS 93 HZ3 LYS 93 7.637 -37.135 -1.171 738 H GLU 94 H GLU 94 10.563 -37.572 6.800 739 HA GLU 94 HA GLU 94 13.052 -38.686 7.749 740 HB2 GLU 94 HB2 GLU 94 12.136 -38.231 10.009 741 HB3 GLU 94 HB3 GLU 94 11.969 -36.825 8.959 742 HG2 GLU 94 HG2 GLU 94 9.591 -37.276 8.652 743 HG3 GLU 94 HG3 GLU 94 9.724 -38.784 9.557 744 H GLY 95 H GLY 95 13.239 -40.550 9.153 745 HA2 GLY 95 HA2 GLY 95 11.608 -42.849 8.535 746 HA3 GLY 95 HA3 GLY 95 12.954 -42.771 9.669 747 H GLU 96 H GLU 96 9.545 -41.840 9.277 748 HA GLU 96 HA GLU 96 9.096 -41.528 12.133 749 HB2 GLU 96 HB2 GLU 96 6.720 -41.102 11.474 750 HB3 GLU 96 HB3 GLU 96 7.857 -40.062 10.627 751 HG2 GLU 96 HG2 GLU 96 7.575 -41.203 8.574 752 HG3 GLU 96 HG3 GLU 96 6.851 -42.608 9.341 753 H SER 97 H SER 97 8.244 -43.007 13.477 754 HA SER 97 HA SER 97 6.611 -45.203 12.583 755 HB2 SER 97 HB2 SER 97 8.080 -46.933 13.800 756 HB3 SER 97 HB3 SER 97 8.730 -46.333 12.274 757 HG SER 97 HG SER 97 9.488 -45.620 14.902 758 H ILE 98 H ILE 98 5.372 -43.502 13.829 759 HA ILE 98 HA ILE 98 5.735 -43.421 16.705 760 HB ILE 98 HB ILE 98 3.764 -41.963 16.794 761 HG12 ILE 98 HG12 ILE 98 3.428 -42.354 13.777 762 HG13 ILE 98 HG13 ILE 98 2.409 -43.127 14.986 763 HG21 ILE 98 HG21 ILE 98 5.595 -41.191 14.487 764 HG22 ILE 98 HG22 ILE 98 5.924 -40.941 16.204 765 HG23 ILE 98 HG23 ILE 98 4.596 -40.075 15.429 766 HD11 ILE 98 HD11 ILE 98 1.659 -40.920 15.758 767 HD12 ILE 98 HD12 ILE 98 1.311 -41.196 14.053 768 HD13 ILE 98 HD13 ILE 98 2.656 -40.156 14.515 769 H LEU 99 H LEU 99 4.438 -44.312 18.223 770 HA LEU 99 HA LEU 99 2.307 -46.201 17.581 771 HB2 LEU 99 HB2 LEU 99 3.356 -48.081 18.713 772 HB3 LEU 99 HB3 LEU 99 4.402 -47.546 17.417 773 HG LEU 99 HG LEU 99 4.899 -46.911 20.370 774 HD11 LEU 99 HD11 LEU 99 6.210 -49.037 18.638 775 HD12 LEU 99 HD12 LEU 99 5.084 -49.334 19.964 776 HD13 LEU 99 HD13 LEU 99 6.662 -48.623 20.296 777 HD21 LEU 99 HD21 LEU 99 6.749 -46.592 17.975 778 HD22 LEU 99 HD22 LEU 99 7.160 -46.247 19.660 779 HD23 LEU 99 HD23 LEU 99 5.946 -45.274 18.833 780 H GLU 100 H GLU 100 1.340 -47.045 19.718 781 HA GLU 100 HA GLU 100 1.748 -45.431 22.081 782 HB2 GLU 100 HB2 GLU 100 0.414 -43.991 20.321 783 HB3 GLU 100 HB3 GLU 100 -0.940 -45.050 20.681 784 HG2 GLU 100 HG2 GLU 100 0.506 -43.381 22.766 785 HG3 GLU 100 HG3 GLU 100 -0.903 -42.818 21.881 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -12.949 -11.356 11.062 2 H2 GLY 1 H2 GLY 1 -11.719 -11.138 12.194 3 H3 GLY 1 H3 GLY 1 -12.307 -12.688 11.872 4 HA2 GLY 1 HA2 GLY 1 -10.874 -10.963 9.929 5 HA3 GLY 1 HA3 GLY 1 -10.147 -12.290 10.823 6 H GLY 2 H GLY 2 -12.050 -11.388 8.089 7 HA2 GLY 2 HA2 GLY 2 -12.705 -14.129 7.280 8 HA3 GLY 2 HA3 GLY 2 -13.020 -12.649 6.380 9 H SER 3 H SER 3 -12.169 -13.569 4.450 10 HA SER 3 HA SER 3 -9.480 -14.542 4.237 11 HB2 SER 3 HB2 SER 3 -11.301 -13.501 2.010 12 HB3 SER 3 HB3 SER 3 -9.878 -14.532 1.810 13 HG SER 3 HG SER 3 -12.264 -15.214 3.209 14 HA PRO 4 HA PRO 4 -7.104 -10.650 3.743 15 HB2 PRO 4 HB2 PRO 4 -5.753 -12.166 1.500 16 HB3 PRO 4 HB3 PRO 4 -5.029 -11.265 2.853 17 HG2 PRO 4 HG2 PRO 4 -5.057 -13.914 2.917 18 HG3 PRO 4 HG3 PRO 4 -5.406 -12.984 4.393 19 HD2 PRO 4 HD2 PRO 4 -7.330 -14.417 2.571 20 HD3 PRO 4 HD3 PRO 4 -7.335 -14.291 4.346 21 H ASP 5 H ASP 5 -8.460 -12.348 0.955 22 HA ASP 5 HA ASP 5 -8.449 -10.320 -0.999 23 HB2 ASP 5 HB2 ASP 5 -8.942 -12.781 -1.358 24 HB3 ASP 5 HB3 ASP 5 -10.520 -12.535 -0.629 25 H GLU 6 H GLU 6 -10.877 -11.224 1.419 26 HA GLU 6 HA GLU 6 -12.813 -9.225 0.765 27 HB2 GLU 6 HB2 GLU 6 -12.466 -10.879 3.304 28 HB3 GLU 6 HB3 GLU 6 -13.893 -9.923 2.903 29 HG2 GLU 6 HG2 GLU 6 -14.343 -11.357 0.962 30 HG3 GLU 6 HG3 GLU 6 -12.875 -12.282 1.286 31 H ASN 7 H ASN 7 -10.066 -9.415 2.967 32 HA ASN 7 HA ASN 7 -10.646 -7.104 4.523 33 HB2 ASN 7 HB2 ASN 7 -9.030 -9.001 5.131 34 HB3 ASN 7 HB3 ASN 7 -7.868 -8.260 4.036 35 HD21 ASN 7 HD21 ASN 7 -6.484 -7.995 5.863 36 HD22 ASN 7 HD22 ASN 7 -6.732 -6.719 6.992 37 H ILE 8 H ILE 8 -8.815 -7.667 1.549 38 HA ILE 8 HA ILE 8 -7.817 -5.120 0.975 39 HB ILE 8 HB ILE 8 -8.798 -7.359 -0.848 40 HG12 ILE 8 HG12 ILE 8 -5.959 -6.404 -0.269 41 HG13 ILE 8 HG13 ILE 8 -6.739 -7.748 0.553 42 HG21 ILE 8 HG21 ILE 8 -7.437 -4.802 -1.755 43 HG22 ILE 8 HG22 ILE 8 -9.070 -5.328 -2.164 44 HG23 ILE 8 HG23 ILE 8 -7.678 -6.228 -2.765 45 HD11 ILE 8 HD11 ILE 8 -6.066 -7.611 -2.385 46 HD12 ILE 8 HD12 ILE 8 -6.898 -8.948 -1.583 47 HD13 ILE 8 HD13 ILE 8 -5.238 -8.553 -1.145 48 H ALA 9 H ALA 9 -11.027 -6.538 0.304 49 HA ALA 9 HA ALA 9 -12.159 -4.438 -1.170 50 HB1 ALA 9 HB1 ALA 9 -14.329 -5.472 -0.670 51 HB2 ALA 9 HB2 ALA 9 -13.582 -6.444 0.602 52 HB3 ALA 9 HB3 ALA 9 -13.124 -6.697 -1.084 53 H LYS 10 H LYS 10 -11.818 -4.840 2.317 54 HA LYS 10 HA LYS 10 -13.497 -2.704 3.176 55 HB2 LYS 10 HB2 LYS 10 -10.970 -3.717 4.548 56 HB3 LYS 10 HB3 LYS 10 -12.285 -2.819 5.306 57 HG2 LYS 10 HG2 LYS 10 -13.805 -4.750 4.900 58 HG3 LYS 10 HG3 LYS 10 -12.456 -5.636 4.175 59 HD2 LYS 10 HD2 LYS 10 -11.227 -5.398 6.380 60 HD3 LYS 10 HD3 LYS 10 -12.701 -4.708 7.064 61 HE2 LYS 10 HE2 LYS 10 -12.391 -7.504 5.918 62 HE3 LYS 10 HE3 LYS 10 -12.505 -7.086 7.626 63 HZ1 LYS 10 HZ1 LYS 10 -14.612 -7.881 6.737 64 HZ2 LYS 10 HZ2 LYS 10 -14.634 -6.629 5.608 65 HZ3 LYS 10 HZ3 LYS 10 -14.742 -6.279 7.254 66 H PHE 11 H PHE 11 -10.059 -2.912 2.308 67 HA PHE 11 HA PHE 11 -9.437 -0.154 2.811 68 HB2 PHE 11 HB2 PHE 11 -7.841 -2.165 1.176 69 HB3 PHE 11 HB3 PHE 11 -7.241 -0.641 1.824 70 HD1 PHE 11 HD2 PHE 11 -7.949 -0.529 4.575 71 HD2 PHE 11 HD1 PHE 11 -6.894 -3.992 2.284 72 HE1 PHE 11 HE2 PHE 11 -7.256 -1.690 6.625 73 HE2 PHE 11 HE1 PHE 11 -6.204 -5.141 4.346 74 HZ PHE 11 HZ PHE 11 -6.393 -3.990 6.515 75 H GLU 12 H GLU 12 -10.624 -1.939 0.047 76 HA GLU 12 HA GLU 12 -10.201 -0.057 -2.021 77 HB2 GLU 12 HB2 GLU 12 -12.377 -2.148 -1.590 78 HB3 GLU 12 HB3 GLU 12 -12.279 -1.176 -3.051 79 HG2 GLU 12 HG2 GLU 12 -10.041 -2.987 -2.105 80 HG3 GLU 12 HG3 GLU 12 -11.317 -3.505 -3.205 81 H LYS 13 H LYS 13 -12.936 -0.609 0.182 82 HA LYS 13 HA LYS 13 -14.514 1.623 -0.505 83 HB2 LYS 13 HB2 LYS 13 -15.406 -0.301 0.753 84 HB3 LYS 13 HB3 LYS 13 -14.317 0.037 2.093 85 HG2 LYS 13 HG2 LYS 13 -16.599 0.753 2.620 86 HG3 LYS 13 HG3 LYS 13 -15.503 2.139 2.559 87 HD2 LYS 13 HD2 LYS 13 -16.315 2.561 0.188 88 HD3 LYS 13 HD3 LYS 13 -17.523 1.297 0.439 89 HE2 LYS 13 HE2 LYS 13 -18.491 2.597 2.296 90 HE3 LYS 13 HE3 LYS 13 -17.262 3.846 2.065 91 HZ1 LYS 13 HZ1 LYS 13 -19.296 4.500 1.005 92 HZ2 LYS 13 HZ2 LYS 13 -19.361 3.060 0.120 93 HZ3 LYS 13 HZ3 LYS 13 -18.139 4.187 -0.189 94 H ALA 14 H ALA 14 -11.931 1.165 1.894 95 HA ALA 14 HA ALA 14 -12.170 3.687 3.194 96 HB1 ALA 14 HB1 ALA 14 -9.819 1.767 3.150 97 HB2 ALA 14 HB2 ALA 14 -11.168 1.725 4.286 98 HB3 ALA 14 HB3 ALA 14 -10.056 3.095 4.292 99 H TYR 15 H TYR 15 -10.450 2.615 0.343 100 HA TYR 15 HA TYR 15 -8.513 4.712 0.159 101 HB2 TYR 15 HB2 TYR 15 -8.237 2.506 -0.961 102 HB3 TYR 15 HB3 TYR 15 -9.622 2.836 -1.991 103 HD1 TYR 15 HD2 TYR 15 -6.323 4.447 -1.091 104 HD2 TYR 15 HD1 TYR 15 -9.125 3.545 -4.185 105 HE1 TYR 15 HE2 TYR 15 -4.803 5.406 -2.742 106 HE2 TYR 15 HE1 TYR 15 -7.598 4.511 -5.844 107 HH TYR 15 HH TYR 15 -5.674 6.279 -5.783 108 H LYS 16 H LYS 16 -11.669 4.120 -1.369 109 HA LYS 16 HA LYS 16 -11.811 6.533 -2.885 110 HB2 LYS 16 HB2 LYS 16 -14.062 4.738 -1.897 111 HB3 LYS 16 HB3 LYS 16 -14.203 5.956 -3.165 112 HG2 LYS 16 HG2 LYS 16 -12.651 4.685 -4.584 113 HG3 LYS 16 HG3 LYS 16 -12.462 3.470 -3.313 114 HD2 LYS 16 HD2 LYS 16 -15.054 4.155 -4.757 115 HD3 LYS 16 HD3 LYS 16 -14.062 2.726 -5.056 116 HE2 LYS 16 HE2 LYS 16 -14.495 1.987 -2.704 117 HE3 LYS 16 HE3 LYS 16 -15.553 3.387 -2.485 118 HZ1 LYS 16 HZ1 LYS 16 -16.885 2.513 -4.375 119 HZ2 LYS 16 HZ2 LYS 16 -16.904 1.531 -3.003 120 HZ3 LYS 16 HZ3 LYS 16 -15.954 1.102 -4.338 121 H LYS 17 H LYS 17 -12.985 5.548 0.289 122 HA LYS 17 HA LYS 17 -14.492 7.813 0.984 123 HB2 LYS 17 HB2 LYS 17 -14.725 5.716 2.207 124 HB3 LYS 17 HB3 LYS 17 -13.033 5.744 2.679 125 HG2 LYS 17 HG2 LYS 17 -14.444 6.301 4.575 126 HG3 LYS 17 HG3 LYS 17 -13.458 7.695 4.125 127 HD2 LYS 17 HD2 LYS 17 -15.460 8.624 2.894 128 HD3 LYS 17 HD3 LYS 17 -16.415 7.279 3.527 129 HE2 LYS 17 HE2 LYS 17 -15.946 8.036 5.834 130 HE3 LYS 17 HE3 LYS 17 -14.976 9.369 5.199 131 HZ1 LYS 17 HZ1 LYS 17 -17.168 10.125 5.777 132 HZ2 LYS 17 HZ2 LYS 17 -17.886 8.966 4.785 133 HZ3 LYS 17 HZ3 LYS 17 -16.979 10.214 4.100 134 H ALA 18 H ALA 18 -11.083 6.991 1.465 135 HA ALA 18 HA ALA 18 -10.283 9.317 2.873 136 HB1 ALA 18 HB1 ALA 18 -8.968 7.246 2.887 137 HB2 ALA 18 HB2 ALA 18 -7.993 8.597 2.303 138 HB3 ALA 18 HB3 ALA 18 -8.645 7.417 1.160 139 H GLU 19 H GLU 19 -10.253 8.422 -0.593 140 HA GLU 19 HA GLU 19 -8.892 10.630 -1.643 141 HB2 GLU 19 HB2 GLU 19 -9.296 8.598 -2.973 142 HB3 GLU 19 HB3 GLU 19 -11.031 8.914 -2.982 143 HG2 GLU 19 HG2 GLU 19 -10.615 11.023 -4.256 144 HG3 GLU 19 HG3 GLU 19 -8.895 10.651 -4.281 145 H GLU 20 H GLU 20 -12.355 10.179 -1.005 146 HA GLU 20 HA GLU 20 -13.459 12.412 -2.237 147 HB2 GLU 20 HB2 GLU 20 -14.525 10.327 -1.049 148 HB3 GLU 20 HB3 GLU 20 -14.441 11.284 0.419 149 HG2 GLU 20 HG2 GLU 20 -15.942 12.080 -2.091 150 HG3 GLU 20 HG3 GLU 20 -16.668 11.280 -0.711 151 H LEU 21 H LEU 21 -11.994 12.034 0.937 152 HA LEU 21 HA LEU 21 -12.563 14.775 1.793 153 HB2 LEU 21 HB2 LEU 21 -11.156 12.484 3.216 154 HB3 LEU 21 HB3 LEU 21 -11.631 14.003 3.957 155 HG LEU 21 HG LEU 21 -13.575 11.956 2.816 156 HD11 LEU 21 HD11 LEU 21 -14.151 11.414 5.137 157 HD12 LEU 21 HD12 LEU 21 -12.863 12.474 5.718 158 HD13 LEU 21 HD13 LEU 21 -12.470 11.032 4.774 159 HD21 LEU 21 HD21 LEU 21 -14.487 14.213 2.721 160 HD22 LEU 21 HD22 LEU 21 -14.111 14.475 4.427 161 HD23 LEU 21 HD23 LEU 21 -15.314 13.270 3.957 162 H ASN 22 H ASN 22 -10.215 13.347 -0.060 163 HA ASN 22 HA ASN 22 -8.192 13.907 -0.870 164 HB2 ASN 22 HB2 ASN 22 -8.562 16.524 0.656 165 HB3 ASN 22 HB3 ASN 22 -7.277 16.221 -0.504 166 HD21 ASN 22 HD21 ASN 22 -10.720 16.729 -0.131 167 HD22 ASN 22 HD22 ASN 22 -11.038 17.075 -1.788 168 H GLN 23 H GLN 23 -8.541 12.487 1.622 169 HA GLN 23 HA GLN 23 -6.344 12.970 3.404 170 HB2 GLN 23 HB2 GLN 23 -8.044 10.466 2.993 171 HB3 GLN 23 HB3 GLN 23 -6.963 10.737 4.349 172 HG2 GLN 23 HG2 GLN 23 -9.357 12.495 3.771 173 HG3 GLN 23 HG3 GLN 23 -9.440 11.055 4.781 174 HE21 GLN 23 HE21 GLN 23 -10.095 12.316 6.547 175 HE22 GLN 23 HE22 GLN 23 -8.990 13.315 7.417 176 H GLY 24 H GLY 24 -4.453 13.028 2.151 177 HA2 GLY 24 HA2 GLY 24 -3.748 11.213 0.107 178 HA3 GLY 24 HA3 GLY 24 -2.641 12.265 0.972 179 H GLU 25 H GLU 25 -2.435 11.446 3.418 180 HA GLU 25 HA GLU 25 -0.777 9.240 3.430 181 HB2 GLU 25 HB2 GLU 25 -0.689 10.904 5.203 182 HB3 GLU 25 HB3 GLU 25 -2.326 10.514 5.724 183 HG2 GLU 25 HG2 GLU 25 -1.535 8.246 6.408 184 HG3 GLU 25 HG3 GLU 25 0.104 8.697 5.942 185 H LEU 26 H LEU 26 -4.260 9.360 4.127 186 HA LEU 26 HA LEU 26 -4.435 6.668 5.125 187 HB2 LEU 26 HB2 LEU 26 -6.577 8.658 4.366 188 HB3 LEU 26 HB3 LEU 26 -6.908 7.056 5.016 189 HG LEU 26 HG LEU 26 -5.200 7.907 6.940 190 HD11 LEU 26 HD11 LEU 26 -4.756 10.086 5.975 191 HD12 LEU 26 HD12 LEU 26 -5.536 10.232 7.549 192 HD13 LEU 26 HD13 LEU 26 -6.470 10.501 6.074 193 HD21 LEU 26 HD21 LEU 26 -7.142 8.476 8.328 194 HD22 LEU 26 HD22 LEU 26 -7.375 7.015 7.373 195 HD23 LEU 26 HD23 LEU 26 -8.155 8.524 6.878 196 H MET 27 H MET 27 -4.875 8.162 1.948 197 HA MET 27 HA MET 27 -5.888 5.838 0.606 198 HB2 MET 27 HB2 MET 27 -4.385 8.266 -0.442 199 HB3 MET 27 HB3 MET 27 -4.931 6.971 -1.495 200 HG2 MET 27 HG2 MET 27 -7.274 7.431 -0.703 201 HG3 MET 27 HG3 MET 27 -6.646 8.860 0.120 202 HE1 MET 27 HE1 MET 27 -4.294 9.433 -2.273 203 HE2 MET 27 HE2 MET 27 -5.109 10.711 -1.366 204 HE3 MET 27 HE3 MET 27 -5.132 10.726 -3.130 205 H GLY 28 H GLY 28 -2.636 7.158 1.141 206 HA2 GLY 28 HA2 GLY 28 -1.092 5.208 -0.166 207 HA3 GLY 28 HA3 GLY 28 -0.560 6.216 1.171 208 H ARG 29 H ARG 29 -2.378 5.356 3.129 209 HA ARG 29 HA ARG 29 -1.172 3.003 4.140 210 HB2 ARG 29 HB2 ARG 29 -3.591 4.627 5.017 211 HB3 ARG 29 HB3 ARG 29 -3.140 3.144 5.856 212 HG2 ARG 29 HG2 ARG 29 -0.995 4.077 6.484 213 HG3 ARG 29 HG3 ARG 29 -1.285 5.520 5.512 214 HD2 ARG 29 HD2 ARG 29 -3.023 6.268 6.988 215 HD3 ARG 29 HD3 ARG 29 -3.046 4.733 7.861 216 HE ARG 29 HE ARG 29 -0.467 5.731 8.100 217 HH11 ARG 29 HH11 ARG 29 -3.683 6.801 9.095 218 HH12 ARG 29 HH12 ARG 29 -3.086 7.672 10.470 219 HH21 ARG 29 HH21 ARG 29 0.276 6.878 9.914 220 HH22 ARG 29 HH22 ARG 29 -0.853 7.715 10.933 221 H ALA 30 H ALA 30 -4.289 3.639 2.538 222 HA ALA 30 HA ALA 30 -5.530 1.140 2.855 223 HB1 ALA 30 HB1 ALA 30 -6.954 1.799 0.954 224 HB2 ALA 30 HB2 ALA 30 -5.817 3.085 0.528 225 HB3 ALA 30 HB3 ALA 30 -6.707 3.161 2.051 226 H LEU 31 H LEU 31 -3.485 2.354 0.193 227 HA LEU 31 HA LEU 31 -3.439 0.007 -1.398 228 HB2 LEU 31 HB2 LEU 31 -1.429 2.287 -1.211 229 HB3 LEU 31 HB3 LEU 31 -1.475 1.098 -2.509 230 HG LEU 31 HG LEU 31 -3.733 3.047 -1.902 231 HD11 LEU 31 HD11 LEU 31 -1.731 4.261 -2.627 232 HD12 LEU 31 HD12 LEU 31 -3.010 4.331 -3.835 233 HD13 LEU 31 HD13 LEU 31 -1.633 3.253 -4.070 234 HD21 LEU 31 HD21 LEU 31 -4.496 1.004 -3.010 235 HD22 LEU 31 HD22 LEU 31 -3.286 1.215 -4.281 236 HD23 LEU 31 HD23 LEU 31 -4.598 2.384 -4.100 237 H TYR 32 H TYR 32 -1.264 1.266 1.095 238 HA TYR 32 HA TYR 32 0.848 -0.571 0.945 239 HB2 TYR 32 HB2 TYR 32 1.036 1.552 2.164 240 HB3 TYR 32 HB3 TYR 32 -0.223 1.067 3.291 241 HD1 TYR 32 HD2 TYR 32 3.242 0.195 2.163 242 HD2 TYR 32 HD1 TYR 32 0.363 -0.049 5.321 243 HE1 TYR 32 HE2 TYR 32 4.950 -0.741 3.654 244 HE2 TYR 32 HE1 TYR 32 2.080 -0.981 6.810 245 HH TYR 32 HH TYR 32 4.209 -2.230 6.580 246 H ASN 33 H ASN 33 -2.179 -0.651 2.798 247 HA ASN 33 HA ASN 33 -1.644 -2.994 4.326 248 HB2 ASN 33 HB2 ASN 33 -4.292 -1.661 3.622 249 HB3 ASN 33 HB3 ASN 33 -4.117 -2.966 4.792 250 HD21 ASN 33 HD21 ASN 33 -5.104 -0.229 5.102 251 HD22 ASN 33 HD22 ASN 33 -4.156 0.484 6.356 252 H ILE 34 H ILE 34 -3.514 -2.401 1.324 253 HA ILE 34 HA ILE 34 -4.327 -5.039 0.777 254 HB ILE 34 HB ILE 34 -3.705 -2.776 -1.180 255 HG12 ILE 34 HG12 ILE 34 -6.387 -3.726 -0.076 256 HG13 ILE 34 HG13 ILE 34 -5.517 -2.306 0.485 257 HG21 ILE 34 HG21 ILE 34 -3.635 -4.902 -2.394 258 HG22 ILE 34 HG22 ILE 34 -5.091 -4.010 -2.836 259 HG23 ILE 34 HG23 ILE 34 -5.197 -5.368 -1.718 260 HD11 ILE 34 HD11 ILE 34 -6.680 -2.700 -2.271 261 HD12 ILE 34 HD12 ILE 34 -5.772 -1.284 -1.727 262 HD13 ILE 34 HD13 ILE 34 -7.320 -1.680 -0.982 263 H GLY 35 H GLY 35 -1.330 -3.311 0.069 264 HA2 GLY 35 HA2 GLY 35 -0.002 -5.159 -1.562 265 HA3 GLY 35 HA3 GLY 35 0.760 -3.976 -0.515 266 H LEU 36 H LEU 36 -0.016 -4.776 1.986 267 HA LEU 36 HA LEU 36 1.689 -6.957 2.599 268 HB2 LEU 36 HB2 LEU 36 -0.426 -5.556 4.272 269 HB3 LEU 36 HB3 LEU 36 0.670 -6.767 4.920 270 HG LEU 36 HG LEU 36 1.538 -4.092 3.750 271 HD11 LEU 36 HD11 LEU 36 2.007 -3.416 6.059 272 HD12 LEU 36 HD12 LEU 36 1.337 -4.938 6.657 273 HD13 LEU 36 HD13 LEU 36 0.297 -3.775 5.831 274 HD21 LEU 36 HD21 LEU 36 3.748 -4.609 4.701 275 HD22 LEU 36 HD22 LEU 36 3.273 -5.802 3.495 276 HD23 LEU 36 HD23 LEU 36 3.167 -6.199 5.213 277 H GLU 37 H GLU 37 -1.791 -6.738 2.011 278 HA GLU 37 HA GLU 37 -2.431 -9.372 2.924 279 HB2 GLU 37 HB2 GLU 37 -4.011 -7.506 1.116 280 HB3 GLU 37 HB3 GLU 37 -4.622 -9.025 1.760 281 HG2 GLU 37 HG2 GLU 37 -3.882 -6.538 3.327 282 HG3 GLU 37 HG3 GLU 37 -5.494 -7.199 3.084 283 H LYS 38 H LYS 38 -1.475 -8.007 -0.202 284 HA LYS 38 HA LYS 38 -1.783 -10.412 -1.743 285 HB2 LYS 38 HB2 LYS 38 0.014 -7.980 -2.165 286 HB3 LYS 38 HB3 LYS 38 -0.229 -9.248 -3.358 287 HG2 LYS 38 HG2 LYS 38 -2.413 -7.437 -2.296 288 HG3 LYS 38 HG3 LYS 38 -1.517 -7.168 -3.796 289 HD2 LYS 38 HD2 LYS 38 -2.364 -9.412 -4.614 290 HD3 LYS 38 HD3 LYS 38 -3.377 -9.500 -3.165 291 HE2 LYS 38 HE2 LYS 38 -4.604 -7.518 -3.850 292 HE3 LYS 38 HE3 LYS 38 -3.506 -7.254 -5.206 293 HZ1 LYS 38 HZ1 LYS 38 -5.349 -9.547 -4.874 294 HZ2 LYS 38 HZ2 LYS 38 -4.271 -9.350 -6.161 295 HZ3 LYS 38 HZ3 LYS 38 -5.548 -8.257 -5.944 296 H ASN 39 H ASN 39 0.797 -8.930 0.127 297 HA ASN 39 HA ASN 39 2.995 -10.521 -0.651 298 HB2 ASN 39 HB2 ASN 39 3.099 -8.261 0.482 299 HB3 ASN 39 HB3 ASN 39 2.580 -9.020 1.981 300 HD21 ASN 39 HD21 ASN 39 4.407 -8.520 3.138 301 HD22 ASN 39 HD22 ASN 39 5.974 -9.166 2.792 302 H LYS 40 H LYS 40 0.625 -10.825 1.965 303 HA LYS 40 HA LYS 40 1.812 -13.128 3.219 304 HB2 LYS 40 HB2 LYS 40 0.078 -12.985 4.803 305 HB3 LYS 40 HB3 LYS 40 0.218 -11.317 4.264 306 HG2 LYS 40 HG2 LYS 40 -1.702 -11.989 2.585 307 HG3 LYS 40 HG3 LYS 40 -1.962 -13.326 3.703 308 HD2 LYS 40 HD2 LYS 40 -2.113 -10.362 4.349 309 HD3 LYS 40 HD3 LYS 40 -3.469 -11.472 4.186 310 HE2 LYS 40 HE2 LYS 40 -2.668 -12.702 6.193 311 HE3 LYS 40 HE3 LYS 40 -1.355 -11.529 6.362 312 HZ1 LYS 40 HZ1 LYS 40 -4.265 -10.929 6.480 313 HZ2 LYS 40 HZ2 LYS 40 -3.046 -9.768 6.536 314 HZ3 LYS 40 HZ3 LYS 40 -3.185 -10.905 7.779 315 H MET 41 H MET 41 -0.367 -12.641 0.534 316 HA MET 41 HA MET 41 -1.299 -15.431 0.477 317 HB2 MET 41 HB2 MET 41 -1.986 -13.010 -1.236 318 HB3 MET 41 HB3 MET 41 -2.565 -14.628 -1.612 319 HG2 MET 41 HG2 MET 41 -3.657 -14.683 0.644 320 HG3 MET 41 HG3 MET 41 -3.215 -12.991 0.846 321 HE1 MET 41 HE1 MET 41 -3.699 -11.707 -2.053 322 HE2 MET 41 HE2 MET 41 -4.323 -10.983 -0.568 323 HE3 MET 41 HE3 MET 41 -5.398 -11.250 -1.940 324 H GLY 42 H GLY 42 1.503 -13.981 -0.468 325 HA2 GLY 42 HA2 GLY 42 3.238 -14.732 -1.781 326 HA3 GLY 42 HA3 GLY 42 2.247 -16.089 -2.286 327 H LYS 43 H LYS 43 0.677 -13.159 -2.761 328 HA LYS 43 HA LYS 43 1.120 -13.102 -5.663 329 HB2 LYS 43 HB2 LYS 43 -0.810 -11.535 -3.876 330 HB3 LYS 43 HB3 LYS 43 -0.836 -11.575 -5.640 331 HG2 LYS 43 HG2 LYS 43 -1.402 -13.970 -5.589 332 HG3 LYS 43 HG3 LYS 43 -1.343 -13.952 -3.820 333 HD2 LYS 43 HD2 LYS 43 -3.240 -12.390 -3.744 334 HD3 LYS 43 HD3 LYS 43 -3.262 -12.289 -5.507 335 HE2 LYS 43 HE2 LYS 43 -3.855 -14.766 -3.848 336 HE3 LYS 43 HE3 LYS 43 -5.035 -13.781 -4.717 337 HZ1 LYS 43 HZ1 LYS 43 -4.545 -15.685 -6.024 338 HZ2 LYS 43 HZ2 LYS 43 -2.879 -15.452 -5.894 339 HZ3 LYS 43 HZ3 LYS 43 -3.816 -14.370 -6.795 340 H VAL 44 H VAL 44 3.388 -12.450 -4.805 341 HA VAL 44 HA VAL 44 3.697 -10.047 -3.303 342 HB VAL 44 HB VAL 44 5.830 -11.757 -4.654 343 HG11 VAL 44 HG11 VAL 44 7.372 -10.821 -2.982 344 HG12 VAL 44 HG12 VAL 44 6.079 -9.797 -2.352 345 HG13 VAL 44 HG13 VAL 44 6.683 -9.551 -3.993 346 HG21 VAL 44 HG21 VAL 44 4.721 -11.963 -1.827 347 HG22 VAL 44 HG22 VAL 44 6.068 -12.904 -2.474 348 HG23 VAL 44 HG23 VAL 44 4.446 -13.117 -3.134 349 H LYS 45 H LYS 45 3.805 -10.770 -6.731 350 HA LYS 45 HA LYS 45 5.255 -8.479 -7.617 351 HB2 LYS 45 HB2 LYS 45 3.273 -10.257 -9.103 352 HB3 LYS 45 HB3 LYS 45 4.129 -8.923 -9.866 353 HG2 LYS 45 HG2 LYS 45 5.330 -10.885 -10.438 354 HG3 LYS 45 HG3 LYS 45 6.297 -10.045 -9.225 355 HD2 LYS 45 HD2 LYS 45 5.448 -11.617 -7.487 356 HD3 LYS 45 HD3 LYS 45 4.510 -12.462 -8.724 357 HE2 LYS 45 HE2 LYS 45 7.541 -12.235 -8.604 358 HE3 LYS 45 HE3 LYS 45 6.585 -13.676 -8.248 359 HZ1 LYS 45 HZ1 LYS 45 7.499 -13.800 -10.454 360 HZ2 LYS 45 HZ2 LYS 45 6.807 -12.324 -10.883 361 HZ3 LYS 45 HZ3 LYS 45 5.820 -13.656 -10.564 362 H GLU 46 H GLU 46 1.802 -9.147 -7.092 363 HA GLU 46 HA GLU 46 0.788 -6.610 -7.872 364 HB2 GLU 46 HB2 GLU 46 -0.404 -8.534 -5.823 365 HB3 GLU 46 HB3 GLU 46 -1.245 -7.196 -6.606 366 HG2 GLU 46 HG2 GLU 46 -0.902 -8.347 -8.807 367 HG3 GLU 46 HG3 GLU 46 -0.219 -9.721 -7.933 368 H ALA 47 H ALA 47 1.922 -7.964 -4.798 369 HA ALA 47 HA ALA 47 1.274 -5.976 -2.981 370 HB1 ALA 47 HB1 ALA 47 3.083 -6.872 -1.571 371 HB2 ALA 47 HB2 ALA 47 3.760 -7.728 -2.961 372 HB3 ALA 47 HB3 ALA 47 2.176 -8.184 -2.331 373 H ILE 48 H ILE 48 4.238 -6.328 -4.920 374 HA ILE 48 HA ILE 48 5.715 -4.088 -4.225 375 HB ILE 48 HB ILE 48 5.400 -5.493 -6.919 376 HG12 ILE 48 HG12 ILE 48 7.632 -5.651 -4.847 377 HG13 ILE 48 HG13 ILE 48 6.359 -6.847 -5.055 378 HG21 ILE 48 HG21 ILE 48 7.484 -4.410 -7.690 379 HG22 ILE 48 HG22 ILE 48 7.523 -3.433 -6.223 380 HG23 ILE 48 HG23 ILE 48 6.217 -3.219 -7.388 381 HD11 ILE 48 HD11 ILE 48 8.484 -6.147 -7.077 382 HD12 ILE 48 HD12 ILE 48 7.191 -7.330 -7.306 383 HD13 ILE 48 HD13 ILE 48 8.416 -7.588 -6.065 384 H GLU 49 H GLU 49 3.190 -4.361 -6.742 385 HA GLU 49 HA GLU 49 3.431 -1.751 -7.788 386 HB2 GLU 49 HB2 GLU 49 0.983 -3.566 -7.873 387 HB3 GLU 49 HB3 GLU 49 1.314 -2.204 -8.948 388 HG2 GLU 49 HG2 GLU 49 3.299 -3.380 -9.829 389 HG3 GLU 49 HG3 GLU 49 2.969 -4.737 -8.756 390 H TYR 50 H TYR 50 1.319 -3.092 -5.257 391 HA TYR 50 HA TYR 50 -0.181 -0.718 -4.766 392 HB2 TYR 50 HB2 TYR 50 0.282 -3.224 -3.118 393 HB3 TYR 50 HB3 TYR 50 -0.695 -1.887 -2.532 394 HD1 TYR 50 HD2 TYR 50 -2.737 -1.166 -3.977 395 HD2 TYR 50 HD1 TYR 50 -0.699 -4.884 -4.490 396 HE1 TYR 50 HE2 TYR 50 -4.692 -2.086 -5.149 397 HE2 TYR 50 HE1 TYR 50 -2.642 -5.799 -5.656 398 HH TYR 50 HH TYR 50 -5.261 -3.858 -6.701 399 H PHE 51 H PHE 51 2.815 -2.046 -3.347 400 HA PHE 51 HA PHE 51 3.086 -0.051 -1.304 401 HB2 PHE 51 HB2 PHE 51 5.235 -1.802 -2.567 402 HB3 PHE 51 HB3 PHE 51 5.480 -0.791 -1.150 403 HD1 PHE 51 HD1 PHE 51 2.904 -1.453 0.349 404 HD2 PHE 51 HD2 PHE 51 5.748 -3.913 -1.708 405 HE1 PHE 51 HE1 PHE 51 2.352 -3.349 1.819 406 HE2 PHE 51 HE2 PHE 51 5.169 -5.805 -0.243 407 HZ PHE 51 HZ PHE 51 3.476 -5.521 1.519 408 H LEU 52 H LEU 52 3.958 -0.230 -4.700 409 HA LEU 52 HA LEU 52 5.894 1.903 -4.740 410 HB2 LEU 52 HB2 LEU 52 4.276 0.550 -6.936 411 HB3 LEU 52 HB3 LEU 52 5.329 1.909 -7.289 412 HG LEU 52 HG LEU 52 6.258 -0.759 -6.148 413 HD11 LEU 52 HD11 LEU 52 7.236 -1.175 -8.357 414 HD12 LEU 52 HD12 LEU 52 6.538 0.327 -8.970 415 HD13 LEU 52 HD13 LEU 52 5.485 -0.996 -8.461 416 HD21 LEU 52 HD21 LEU 52 7.894 1.612 -7.116 417 HD22 LEU 52 HD22 LEU 52 8.532 0.053 -6.583 418 HD23 LEU 52 HD23 LEU 52 7.699 1.098 -5.437 419 H ARG 53 H ARG 53 2.458 1.614 -5.521 420 HA ARG 53 HA ARG 53 1.907 4.319 -6.143 421 HB2 ARG 53 HB2 ARG 53 0.109 2.094 -5.097 422 HB3 ARG 53 HB3 ARG 53 -0.485 3.652 -5.667 423 HG2 ARG 53 HG2 ARG 53 0.304 3.198 -7.918 424 HG3 ARG 53 HG3 ARG 53 1.076 1.699 -7.386 425 HD2 ARG 53 HD2 ARG 53 -1.099 1.307 -8.534 426 HD3 ARG 53 HD3 ARG 53 -1.083 0.708 -6.870 427 HE ARG 53 HE ARG 53 -2.110 3.355 -6.957 428 HH11 ARG 53 HH11 ARG 53 -3.062 0.063 -7.748 429 HH12 ARG 53 HH12 ARG 53 -4.752 0.378 -7.530 430 HH21 ARG 53 HH21 ARG 53 -4.313 3.736 -6.597 431 HH22 ARG 53 HH22 ARG 53 -5.466 2.467 -6.874 432 H ALA 54 H ALA 54 1.547 2.429 -3.136 433 HA ALA 54 HA ALA 54 0.495 4.346 -1.407 434 HB1 ALA 54 HB1 ALA 54 0.636 1.944 -0.866 435 HB2 ALA 54 HB2 ALA 54 1.362 2.920 0.413 436 HB3 ALA 54 HB3 ALA 54 2.393 2.065 -0.742 437 H LYS 55 H LYS 55 3.838 3.491 -2.088 438 HA LYS 55 HA LYS 55 5.178 5.217 -0.313 439 HB2 LYS 55 HB2 LYS 55 6.193 3.220 -1.318 440 HB3 LYS 55 HB3 LYS 55 6.059 3.920 -2.926 441 HG2 LYS 55 HG2 LYS 55 7.759 5.547 -2.447 442 HG3 LYS 55 HG3 LYS 55 7.752 5.127 -0.730 443 HD2 LYS 55 HD2 LYS 55 8.607 2.866 -1.276 444 HD3 LYS 55 HD3 LYS 55 8.617 3.288 -2.992 445 HE2 LYS 55 HE2 LYS 55 10.262 4.648 -0.833 446 HE3 LYS 55 HE3 LYS 55 10.863 3.457 -1.988 447 HZ1 LYS 55 HZ1 LYS 55 11.371 5.698 -2.679 448 HZ2 LYS 55 HZ2 LYS 55 9.734 6.105 -2.677 449 HZ3 LYS 55 HZ3 LYS 55 10.319 4.965 -3.780 450 H LYS 56 H LYS 56 4.148 5.553 -3.677 451 HA LYS 56 HA LYS 56 5.358 8.067 -4.232 452 HB2 LYS 56 HB2 LYS 56 4.622 6.424 -5.966 453 HB3 LYS 56 HB3 LYS 56 2.945 6.758 -5.556 454 HG2 LYS 56 HG2 LYS 56 3.244 9.114 -6.305 455 HG3 LYS 56 HG3 LYS 56 4.921 8.758 -6.731 456 HD2 LYS 56 HD2 LYS 56 2.432 7.538 -7.987 457 HD3 LYS 56 HD3 LYS 56 3.507 8.722 -8.732 458 HE2 LYS 56 HE2 LYS 56 4.219 5.856 -8.001 459 HE3 LYS 56 HE3 LYS 56 3.961 6.493 -9.624 460 HZ1 LYS 56 HZ1 LYS 56 6.139 7.279 -7.771 461 HZ2 LYS 56 HZ2 LYS 56 5.879 7.955 -9.292 462 HZ3 LYS 56 HZ3 LYS 56 6.302 6.325 -9.155 463 H VAL 57 H VAL 57 2.267 7.103 -2.816 464 HA VAL 57 HA VAL 57 1.085 9.726 -2.845 465 HB VAL 57 HB VAL 57 0.320 7.259 -1.207 466 HG11 VAL 57 HG11 VAL 57 -1.854 8.390 -0.847 467 HG12 VAL 57 HG12 VAL 57 -1.238 9.827 -1.665 468 HG13 VAL 57 HG13 VAL 57 -0.522 9.307 -0.138 469 HG21 VAL 57 HG21 VAL 57 -0.911 8.352 -3.769 470 HG22 VAL 57 HG22 VAL 57 -1.486 6.947 -2.867 471 HG23 VAL 57 HG23 VAL 57 0.093 6.911 -3.652 472 H PHE 58 H PHE 58 2.846 7.771 -0.390 473 HA PHE 58 HA PHE 58 2.817 9.716 1.699 474 HB2 PHE 58 HB2 PHE 58 4.752 7.422 1.159 475 HB3 PHE 58 HB3 PHE 58 4.814 8.417 2.607 476 HD1 PHE 58 HD2 PHE 58 2.133 8.658 3.588 477 HD2 PHE 58 HD1 PHE 58 3.948 5.275 1.678 478 HE1 PHE 58 HE2 PHE 58 0.568 7.146 4.743 479 HE2 PHE 58 HE1 PHE 58 2.379 3.782 2.844 480 HZ PHE 58 HZ PHE 58 0.691 4.715 4.376 481 H ASP 59 H ASP 59 4.843 9.220 -1.091 482 HA ASP 59 HA ASP 59 6.928 11.089 -0.541 483 HB2 ASP 59 HB2 ASP 59 7.218 9.293 -2.176 484 HB3 ASP 59 HB3 ASP 59 5.883 9.885 -3.144 485 H ALA 60 H ALA 60 3.818 11.229 -2.218 486 HA ALA 60 HA ALA 60 3.905 13.948 -3.048 487 HB1 ALA 60 HB1 ALA 60 2.329 12.323 -4.003 488 HB2 ALA 60 HB2 ALA 60 1.471 13.723 -3.353 489 HB3 ALA 60 HB3 ALA 60 1.491 12.202 -2.455 490 H GLU 61 H GLU 61 2.851 12.337 -0.075 491 HA GLU 61 HA GLU 61 1.915 14.648 1.318 492 HB2 GLU 61 HB2 GLU 61 2.907 11.961 2.373 493 HB3 GLU 61 HB3 GLU 61 2.131 13.187 3.366 494 HG2 GLU 61 HG2 GLU 61 0.850 11.682 1.069 495 HG3 GLU 61 HG3 GLU 61 0.592 11.378 2.785 496 H HIS 62 H HIS 62 4.994 13.591 0.413 497 HA HIS 62 HA HIS 62 7.093 14.192 0.770 498 HB2 HIS 62 HB2 HIS 62 5.818 16.646 2.036 499 HB3 HIS 62 HB3 HIS 62 7.534 16.512 1.650 500 HD1 HIS 62 HD1 HIS 62 4.619 17.936 0.265 501 HD2 HIS 62 HD2 HIS 62 7.708 15.667 -1.320 502 HE1 HIS 62 HE1 HIS 62 4.551 18.342 -2.212 503 HE2 HIS 62 HE2 HIS 62 6.388 16.901 -3.149 504 H ASP 63 H ASP 63 5.589 12.624 2.736 505 HA ASP 63 HA ASP 63 7.290 12.855 5.119 506 HB2 ASP 63 HB2 ASP 63 4.727 12.345 5.207 507 HB3 ASP 63 HB3 ASP 63 5.137 10.744 4.616 508 H THR 64 H THR 64 9.284 12.229 4.352 509 HA THR 64 HA THR 64 9.804 10.254 2.435 510 HB THR 64 HB THR 64 11.461 11.998 2.971 511 HG1 THR 64 HG1 THR 64 12.271 10.107 2.016 512 HG21 THR 64 HG21 THR 64 12.887 11.870 4.977 513 HG22 THR 64 HG22 THR 64 11.935 10.515 5.588 514 HG23 THR 64 HG23 THR 64 11.198 12.112 5.426 515 H ASP 65 H ASP 65 9.402 10.019 5.932 516 HA ASP 65 HA ASP 65 10.678 7.480 6.287 517 HB2 ASP 65 HB2 ASP 65 10.520 9.116 8.116 518 HB3 ASP 65 HB3 ASP 65 8.759 9.040 8.078 519 H GLY 66 H GLY 66 7.342 8.533 5.713 520 HA2 GLY 66 HA2 GLY 66 6.048 6.017 6.080 521 HA3 GLY 66 HA3 GLY 66 5.414 7.393 5.191 522 H ALA 67 H ALA 67 7.382 7.698 3.280 523 HA ALA 67 HA ALA 67 6.792 5.750 1.307 524 HB1 ALA 67 HB1 ALA 67 8.455 6.959 -0.052 525 HB2 ALA 67 HB2 ALA 67 9.009 7.821 1.387 526 HB3 ALA 67 HB3 ALA 67 7.370 8.079 0.784 527 H ARG 68 H ARG 68 9.539 6.193 3.501 528 HA ARG 68 HA ARG 68 11.205 4.130 2.429 529 HB2 ARG 68 HB2 ARG 68 11.302 5.675 5.052 530 HB3 ARG 68 HB3 ARG 68 12.486 4.437 4.638 531 HG2 ARG 68 HG2 ARG 68 13.212 5.715 2.685 532 HG3 ARG 68 HG3 ARG 68 11.961 6.924 2.970 533 HD2 ARG 68 HD2 ARG 68 14.110 7.772 3.737 534 HD3 ARG 68 HD3 ARG 68 13.048 7.515 5.124 535 HE ARG 68 HE ARG 68 14.469 5.194 4.958 536 HH11 ARG 68 HH11 ARG 68 15.463 8.588 5.233 537 HH12 ARG 68 HH12 ARG 68 16.931 8.198 6.066 538 HH21 ARG 68 HH21 ARG 68 16.392 4.730 6.039 539 HH22 ARG 68 HH22 ARG 68 17.457 6.011 6.524 540 H ARG 69 H ARG 69 8.644 4.210 4.823 541 HA ARG 69 HA ARG 69 9.106 1.618 5.951 542 HB2 ARG 69 HB2 ARG 69 7.533 3.739 6.689 543 HB3 ARG 69 HB3 ARG 69 6.304 2.738 5.937 544 HG2 ARG 69 HG2 ARG 69 8.123 1.878 8.216 545 HG3 ARG 69 HG3 ARG 69 6.456 2.422 8.399 546 HD2 ARG 69 HD2 ARG 69 5.626 0.477 7.219 547 HD3 ARG 69 HD3 ARG 69 7.261 -0.005 6.757 548 HE ARG 69 HE ARG 69 6.797 0.139 9.613 549 HH11 ARG 69 HH11 ARG 69 6.687 -1.954 6.775 550 HH12 ARG 69 HH12 ARG 69 6.798 -3.419 7.697 551 HH21 ARG 69 HH21 ARG 69 6.961 -1.795 10.802 552 HH22 ARG 69 HH22 ARG 69 6.953 -3.321 9.992 553 H ALA 70 H ALA 70 7.059 2.872 3.309 554 HA ALA 70 HA ALA 70 6.012 0.376 2.427 555 HB1 ALA 70 HB1 ALA 70 5.421 1.573 0.357 556 HB2 ALA 70 HB2 ALA 70 6.433 2.936 0.845 557 HB3 ALA 70 HB3 ALA 70 4.996 2.524 1.783 558 H ALA 71 H ALA 71 9.049 2.076 1.852 559 HA ALA 71 HA ALA 71 10.053 0.416 -0.252 560 HB1 ALA 71 HB1 ALA 71 12.201 1.505 0.157 561 HB2 ALA 71 HB2 ALA 71 11.604 2.164 1.684 562 HB3 ALA 71 HB3 ALA 71 10.905 2.703 0.159 563 H LYS 72 H LYS 72 10.065 0.213 3.265 564 HA LYS 72 HA LYS 72 11.979 -1.876 3.533 565 HB2 LYS 72 HB2 LYS 72 11.320 -0.547 5.487 566 HB3 LYS 72 HB3 LYS 72 9.649 -1.071 5.328 567 HG2 LYS 72 HG2 LYS 72 10.813 -2.211 7.189 568 HG3 LYS 72 HG3 LYS 72 10.232 -3.341 5.973 569 HD2 LYS 72 HD2 LYS 72 12.374 -4.147 6.555 570 HD3 LYS 72 HD3 LYS 72 12.631 -3.319 5.024 571 HE2 LYS 72 HE2 LYS 72 13.265 -2.191 7.775 572 HE3 LYS 72 HE3 LYS 72 14.432 -2.880 6.651 573 HZ1 LYS 72 HZ1 LYS 72 13.951 -1.104 5.095 574 HZ2 LYS 72 HZ2 LYS 72 14.428 -0.473 6.583 575 HZ3 LYS 72 HZ3 LYS 72 12.804 -0.449 6.151 576 H SER 73 H SER 73 8.427 -1.851 3.361 577 HA SER 73 HA SER 73 7.999 -4.633 3.278 578 HB2 SER 73 HB2 SER 73 6.295 -2.377 2.141 579 HB3 SER 73 HB3 SER 73 5.740 -4.011 2.522 580 HG SER 73 HG SER 73 6.165 -3.622 4.679 581 H LEU 74 H LEU 74 8.780 -2.289 0.769 582 HA LEU 74 HA LEU 74 8.350 -3.921 -1.503 583 HB2 LEU 74 HB2 LEU 74 9.797 -1.346 -0.988 584 HB3 LEU 74 HB3 LEU 74 10.216 -2.198 -2.462 585 HG LEU 74 HG LEU 74 7.385 -1.397 -1.732 586 HD11 LEU 74 HD11 LEU 74 7.554 0.380 -3.362 587 HD12 LEU 74 HD12 LEU 74 9.260 0.007 -3.633 588 HD13 LEU 74 HD13 LEU 74 8.724 0.611 -2.062 589 HD21 LEU 74 HD21 LEU 74 7.492 -3.315 -3.239 590 HD22 LEU 74 HD22 LEU 74 8.547 -2.420 -4.338 591 HD23 LEU 74 HD23 LEU 74 6.880 -1.893 -4.082 592 H SER 75 H SER 75 11.313 -3.284 0.431 593 HA SER 75 HA SER 75 13.070 -4.752 -1.250 594 HB2 SER 75 HB2 SER 75 14.628 -4.697 0.743 595 HB3 SER 75 HB3 SER 75 13.989 -3.122 0.282 596 HG SER 75 HG SER 75 12.534 -4.534 2.179 597 H GLU 76 H GLU 76 11.109 -5.679 1.544 598 HA GLU 76 HA GLU 76 11.877 -8.388 1.838 599 HB2 GLU 76 HB2 GLU 76 9.185 -7.029 2.312 600 HB3 GLU 76 HB3 GLU 76 9.601 -8.640 2.892 601 HG2 GLU 76 HG2 GLU 76 11.220 -7.772 4.429 602 HG3 GLU 76 HG3 GLU 76 11.157 -6.169 3.693 603 H ALA 77 H ALA 77 9.428 -6.792 -0.164 604 HA ALA 77 HA ALA 77 8.239 -9.076 -1.329 605 HB1 ALA 77 HB1 ALA 77 7.209 -7.482 -2.889 606 HB2 ALA 77 HB2 ALA 77 8.335 -6.224 -2.376 607 HB3 ALA 77 HB3 ALA 77 7.148 -6.861 -1.236 608 H TYR 78 H TYR 78 10.948 -7.032 -2.337 609 HA TYR 78 HA TYR 78 11.308 -8.161 -4.924 610 HB2 TYR 78 HB2 TYR 78 13.108 -6.426 -3.189 611 HB3 TYR 78 HB3 TYR 78 13.592 -6.981 -4.791 612 HD1 TYR 78 HD2 TYR 78 11.412 -6.647 -6.548 613 HD2 TYR 78 HD1 TYR 78 12.446 -4.144 -3.240 614 HE1 TYR 78 HE2 TYR 78 10.206 -4.781 -7.580 615 HE2 TYR 78 HE1 TYR 78 11.245 -2.276 -4.279 616 HH TYR 78 HH TYR 78 10.456 -1.554 -6.449 617 H GLN 79 H GLN 79 12.325 -9.134 -1.743 618 HA GLN 79 HA GLN 79 14.342 -11.009 -2.621 619 HB2 GLN 79 HB2 GLN 79 12.847 -10.724 0.011 620 HB3 GLN 79 HB3 GLN 79 14.147 -11.882 -0.262 621 HG2 GLN 79 HG2 GLN 79 15.753 -10.116 -0.578 622 HG3 GLN 79 HG3 GLN 79 14.487 -8.891 -0.554 623 HE21 GLN 79 HE21 GLN 79 14.646 -11.642 1.691 624 HE22 GLN 79 HE22 GLN 79 14.966 -10.682 3.092 625 H LYS 80 H LYS 80 10.856 -11.110 -2.084 626 HA LYS 80 HA LYS 80 10.661 -14.004 -2.266 627 HB2 LYS 80 HB2 LYS 80 8.508 -11.854 -2.284 628 HB3 LYS 80 HB3 LYS 80 8.191 -13.588 -2.220 629 HG2 LYS 80 HG2 LYS 80 9.348 -13.731 -0.051 630 HG3 LYS 80 HG3 LYS 80 9.704 -11.999 -0.117 631 HD2 LYS 80 HD2 LYS 80 7.258 -11.516 -0.079 632 HD3 LYS 80 HD3 LYS 80 6.924 -13.247 0.015 633 HE2 LYS 80 HE2 LYS 80 8.098 -13.357 2.179 634 HE3 LYS 80 HE3 LYS 80 8.458 -11.632 2.077 635 HZ1 LYS 80 HZ1 LYS 80 5.757 -12.854 2.273 636 HZ2 LYS 80 HZ2 LYS 80 6.063 -11.204 2.093 637 HZ3 LYS 80 HZ3 LYS 80 6.571 -12.006 3.488 638 H VAL 81 H VAL 81 10.466 -11.281 -4.445 639 HA VAL 81 HA VAL 81 9.531 -12.842 -6.726 640 HB VAL 81 HB VAL 81 10.546 -9.966 -6.517 641 HG11 VAL 81 HG11 VAL 81 9.733 -9.602 -8.815 642 HG12 VAL 81 HG12 VAL 81 9.305 -11.312 -8.954 643 HG13 VAL 81 HG13 VAL 81 10.999 -10.835 -8.797 644 HG21 VAL 81 HG21 VAL 81 8.399 -10.292 -5.401 645 HG22 VAL 81 HG22 VAL 81 7.738 -11.085 -6.832 646 HG23 VAL 81 HG23 VAL 81 8.154 -9.374 -6.887 647 H GLU 82 H GLU 82 12.527 -11.220 -5.691 648 HA GLU 82 HA GLU 82 14.139 -12.931 -7.511 649 HB2 GLU 82 HB2 GLU 82 14.182 -10.379 -7.849 650 HB3 GLU 82 HB3 GLU 82 14.955 -10.242 -6.281 651 HG2 GLU 82 HG2 GLU 82 16.096 -11.718 -8.675 652 HG3 GLU 82 HG3 GLU 82 16.523 -10.077 -8.215 653 H GLY 83 H GLY 83 14.588 -14.664 -6.235 654 HA2 GLY 83 HA2 GLY 83 16.493 -15.192 -4.567 655 HA3 GLY 83 HA3 GLY 83 15.489 -14.295 -3.428 656 H SER 84 H SER 84 15.247 -16.878 -5.816 657 HA SER 84 HA SER 84 12.794 -17.945 -5.029 658 HB2 SER 84 HB2 SER 84 13.528 -19.913 -6.490 659 HB3 SER 84 HB3 SER 84 13.613 -18.329 -7.262 660 HG SER 84 HG SER 84 15.501 -19.571 -7.625 661 H GLY 85 H GLY 85 12.433 -18.703 -3.017 662 HA2 GLY 85 HA2 GLY 85 12.221 -20.346 -1.435 663 HA3 GLY 85 HA3 GLY 85 13.324 -21.339 -2.369 664 H ASP 86 H ASP 86 13.037 -19.025 0.238 665 HA ASP 86 HA ASP 86 15.748 -18.645 0.912 666 HB2 ASP 86 HB2 ASP 86 13.411 -18.753 2.876 667 HB3 ASP 86 HB3 ASP 86 14.951 -17.943 3.123 668 H LYS 87 H LYS 87 17.097 -20.335 1.128 669 HA LYS 87 HA LYS 87 16.363 -22.989 1.683 670 HB2 LYS 87 HB2 LYS 87 19.126 -21.720 1.857 671 HB3 LYS 87 HB3 LYS 87 18.800 -23.449 1.773 672 HG2 LYS 87 HG2 LYS 87 17.838 -23.145 -0.504 673 HG3 LYS 87 HG3 LYS 87 18.201 -21.416 -0.412 674 HD2 LYS 87 HD2 LYS 87 20.622 -21.932 -0.214 675 HD3 LYS 87 HD3 LYS 87 20.268 -23.660 -0.283 676 HE2 LYS 87 HE2 LYS 87 19.726 -21.661 -2.509 677 HE3 LYS 87 HE3 LYS 87 21.087 -22.778 -2.449 678 HZ1 LYS 87 HZ1 LYS 87 19.517 -24.623 -2.512 679 HZ2 LYS 87 HZ2 LYS 87 19.332 -23.619 -3.858 680 HZ3 LYS 87 HZ3 LYS 87 18.220 -23.543 -2.587 681 H GLY 88 H GLY 88 16.059 -24.044 3.525 682 HA2 GLY 88 HA2 GLY 88 16.784 -24.692 5.750 683 HA3 GLY 88 HA3 GLY 88 17.073 -22.997 6.113 684 H LYS 89 H LYS 89 15.213 -21.554 6.225 685 HA LYS 89 HA LYS 89 12.524 -22.549 6.206 686 HB2 LYS 89 HB2 LYS 89 11.976 -22.261 8.587 687 HB3 LYS 89 HB3 LYS 89 13.210 -23.496 8.381 688 HG2 LYS 89 HG2 LYS 89 14.951 -21.880 9.086 689 HG3 LYS 89 HG3 LYS 89 13.706 -20.644 9.299 690 HD2 LYS 89 HD2 LYS 89 14.301 -21.653 11.466 691 HD3 LYS 89 HD3 LYS 89 12.625 -22.018 11.051 692 HE2 LYS 89 HE2 LYS 89 13.314 -24.285 10.308 693 HE3 LYS 89 HE3 LYS 89 14.989 -23.906 10.717 694 HZ1 LYS 89 HZ1 LYS 89 12.720 -24.031 12.640 695 HZ2 LYS 89 HZ2 LYS 89 14.317 -23.646 13.035 696 HZ3 LYS 89 HZ3 LYS 89 13.939 -25.189 12.461 697 H ILE 90 H ILE 90 10.950 -20.926 6.504 698 HA ILE 90 HA ILE 90 11.904 -18.122 6.605 699 HB ILE 90 HB ILE 90 9.285 -19.184 5.427 700 HG12 ILE 90 HG12 ILE 90 10.217 -18.162 3.234 701 HG13 ILE 90 HG13 ILE 90 11.775 -18.080 4.043 702 HG21 ILE 90 HG21 ILE 90 10.281 -16.306 5.540 703 HG22 ILE 90 HG22 ILE 90 8.923 -16.973 6.449 704 HG23 ILE 90 HG23 ILE 90 8.831 -16.856 4.691 705 HD11 ILE 90 HD11 ILE 90 11.588 -20.005 2.561 706 HD12 ILE 90 HD12 ILE 90 10.209 -20.599 3.488 707 HD13 ILE 90 HD13 ILE 90 11.804 -20.511 4.235 708 H PHE 91 H PHE 91 12.069 -18.444 8.918 709 HA PHE 91 HA PHE 91 9.561 -18.487 10.440 710 HB2 PHE 91 HB2 PHE 91 11.534 -19.651 11.426 711 HB3 PHE 91 HB3 PHE 91 12.433 -18.135 11.438 712 HD1 PHE 91 HD1 PHE 91 9.134 -19.495 12.664 713 HD2 PHE 91 HD2 PHE 91 12.482 -16.952 13.500 714 HE1 PHE 91 HE1 PHE 91 8.195 -18.968 14.875 715 HE2 PHE 91 HE2 PHE 91 11.532 -16.437 15.712 716 HZ PHE 91 HZ PHE 91 9.387 -17.440 16.399 717 H GLN 92 H GLN 92 8.527 -16.666 9.768 718 HA GLN 92 HA GLN 92 9.814 -14.050 9.705 719 HB2 GLN 92 HB2 GLN 92 7.654 -13.241 8.840 720 HB3 GLN 92 HB3 GLN 92 8.186 -14.655 7.937 721 HG2 GLN 92 HG2 GLN 92 6.580 -16.068 9.042 722 HG3 GLN 92 HG3 GLN 92 6.165 -14.796 10.193 723 HE21 GLN 92 HE21 GLN 92 4.864 -13.066 9.506 724 HE22 GLN 92 HE22 GLN 92 3.935 -13.129 8.047 725 H LYS 93 H LYS 93 8.366 -12.225 10.650 726 HA LYS 93 HA LYS 93 7.992 -12.629 13.503 727 HB2 LYS 93 HB2 LYS 93 7.947 -10.178 11.701 728 HB3 LYS 93 HB3 LYS 93 7.368 -10.086 13.359 729 HG2 LYS 93 HG2 LYS 93 9.673 -9.295 13.211 730 HG3 LYS 93 HG3 LYS 93 9.573 -10.748 14.204 731 HD2 LYS 93 HD2 LYS 93 10.426 -12.100 12.312 732 HD3 LYS 93 HD3 LYS 93 10.503 -10.655 11.305 733 HE2 LYS 93 HE2 LYS 93 12.207 -9.699 12.826 734 HE3 LYS 93 HE3 LYS 93 12.112 -11.146 13.834 735 HZ1 LYS 93 HZ1 LYS 93 12.946 -11.104 10.986 736 HZ2 LYS 93 HZ2 LYS 93 12.904 -12.460 11.989 737 HZ3 LYS 93 HZ3 LYS 93 13.989 -11.210 12.310 738 H GLU 94 H GLU 94 6.052 -12.111 14.588 739 HA GLU 94 HA GLU 94 3.809 -13.454 13.568 740 HB2 GLU 94 HB2 GLU 94 2.680 -12.698 15.701 741 HB3 GLU 94 HB3 GLU 94 4.226 -13.504 15.944 742 HG2 GLU 94 HG2 GLU 94 5.307 -11.267 16.228 743 HG3 GLU 94 HG3 GLU 94 3.722 -10.511 16.074 744 H GLY 95 H GLY 95 2.596 -12.693 11.939 745 HA2 GLY 95 HA2 GLY 95 0.631 -11.607 11.301 746 HA3 GLY 95 HA3 GLY 95 0.969 -10.308 12.423 747 H GLU 96 H GLU 96 3.384 -9.374 11.684 748 HA GLU 96 HA GLU 96 4.488 -7.941 10.364 749 HB2 GLU 96 HB2 GLU 96 3.064 -9.173 7.973 750 HB3 GLU 96 HB3 GLU 96 4.437 -8.071 7.891 751 HG2 GLU 96 HG2 GLU 96 5.837 -9.744 9.067 752 HG3 GLU 96 HG3 GLU 96 4.467 -10.856 9.104 753 H SER 97 H SER 97 1.116 -8.170 9.192 754 HA SER 97 HA SER 97 0.797 -5.300 8.900 755 HB2 SER 97 HB2 SER 97 -1.256 -7.557 8.776 756 HB3 SER 97 HB3 SER 97 -1.499 -5.905 8.204 757 HG SER 97 HG SER 97 -0.822 -6.732 6.405 758 H ILE 98 H ILE 98 1.599 -5.795 11.505 759 HA ILE 98 HA ILE 98 1.205 -5.667 13.700 760 HB ILE 98 HB ILE 98 -1.193 -3.959 12.862 761 HG12 ILE 98 HG12 ILE 98 0.350 -2.021 13.595 762 HG13 ILE 98 HG13 ILE 98 1.663 -3.185 13.646 763 HG21 ILE 98 HG21 ILE 98 -1.150 -3.021 15.166 764 HG22 ILE 98 HG22 ILE 98 0.074 -4.214 15.609 765 HG23 ILE 98 HG23 ILE 98 -1.546 -4.742 15.150 766 HD11 ILE 98 HD11 ILE 98 1.431 -3.548 11.241 767 HD12 ILE 98 HD12 ILE 98 1.690 -1.844 11.618 768 HD13 ILE 98 HD13 ILE 98 0.077 -2.416 11.201 769 H LEU 99 H LEU 99 0.917 -7.922 13.694 770 HA LEU 99 HA LEU 99 0.009 -9.909 14.221 771 HB2 LEU 99 HB2 LEU 99 -2.267 -8.292 15.422 772 HB3 LEU 99 HB3 LEU 99 -1.926 -9.983 15.752 773 HG LEU 99 HG LEU 99 -0.285 -7.565 16.595 774 HD11 LEU 99 HD11 LEU 99 -2.191 -8.053 18.034 775 HD12 LEU 99 HD12 LEU 99 -0.677 -8.388 18.871 776 HD13 LEU 99 HD13 LEU 99 -1.646 -9.722 18.237 777 HD21 LEU 99 HD21 LEU 99 1.298 -9.256 15.833 778 HD22 LEU 99 HD22 LEU 99 0.516 -10.483 16.833 779 HD23 LEU 99 HD23 LEU 99 1.345 -9.123 17.588 780 H GLU 100 H GLU 100 -2.568 -10.941 14.215 781 HA GLU 100 HA GLU 100 -3.053 -11.354 11.449 782 HB2 GLU 100 HB2 GLU 100 -4.778 -12.092 13.850 783 HB3 GLU 100 HB3 GLU 100 -4.945 -12.759 12.227 784 HG2 GLU 100 HG2 GLU 100 -2.752 -13.814 12.380 785 HG3 GLU 100 HG3 GLU 100 -2.459 -13.055 13.945 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -14.742 -11.027 6.170 2 H2 GLY 1 H2 GLY 1 -15.963 -10.388 7.157 3 H3 GLY 1 H3 GLY 1 -16.313 -10.854 5.568 4 HA2 GLY 1 HA2 GLY 1 -15.508 -12.675 7.764 5 HA3 GLY 1 HA3 GLY 1 -17.139 -12.473 7.139 6 H GLY 2 H GLY 2 -14.029 -12.665 5.422 7 HA2 GLY 2 HA2 GLY 2 -14.607 -15.310 4.323 8 HA3 GLY 2 HA3 GLY 2 -14.626 -13.969 3.180 9 H SER 3 H SER 3 -12.843 -14.608 2.033 10 HA SER 3 HA SER 3 -10.367 -15.500 3.085 11 HB2 SER 3 HB2 SER 3 -9.593 -15.121 0.700 12 HB3 SER 3 HB3 SER 3 -11.086 -16.053 0.809 13 HG SER 3 HG SER 3 -11.430 -14.524 -0.732 14 HA PRO 4 HA PRO 4 -7.967 -11.587 3.817 15 HB2 PRO 4 HB2 PRO 4 -6.005 -12.753 1.825 16 HB3 PRO 4 HB3 PRO 4 -5.693 -12.029 3.421 17 HG2 PRO 4 HG2 PRO 4 -5.613 -14.665 3.131 18 HG3 PRO 4 HG3 PRO 4 -6.355 -13.938 4.574 19 HD2 PRO 4 HD2 PRO 4 -7.707 -15.190 2.196 20 HD3 PRO 4 HD3 PRO 4 -8.172 -15.229 3.910 21 H ASP 5 H ASP 5 -8.308 -12.849 0.517 22 HA ASP 5 HA ASP 5 -8.111 -10.549 -1.043 23 HB2 ASP 5 HB2 ASP 5 -8.267 -12.778 -2.040 24 HB3 ASP 5 HB3 ASP 5 -9.875 -13.014 -1.377 25 H GLU 6 H GLU 6 -10.925 -11.915 0.613 26 HA GLU 6 HA GLU 6 -12.875 -9.998 -0.100 27 HB2 GLU 6 HB2 GLU 6 -13.343 -12.309 0.711 28 HB3 GLU 6 HB3 GLU 6 -12.704 -11.898 2.293 29 HG2 GLU 6 HG2 GLU 6 -15.129 -10.515 1.127 30 HG3 GLU 6 HG3 GLU 6 -15.253 -12.038 2.004 31 H ASN 7 H ASN 7 -10.558 -10.203 2.609 32 HA ASN 7 HA ASN 7 -11.436 -7.882 4.034 33 HB2 ASN 7 HB2 ASN 7 -8.801 -9.415 4.088 34 HB3 ASN 7 HB3 ASN 7 -9.083 -7.985 5.085 35 HD21 ASN 7 HD21 ASN 7 -10.006 -11.326 4.566 36 HD22 ASN 7 HD22 ASN 7 -10.786 -11.537 6.086 37 H ILE 8 H ILE 8 -9.219 -8.374 1.336 38 HA ILE 8 HA ILE 8 -7.913 -5.872 1.322 39 HB ILE 8 HB ILE 8 -8.521 -7.778 -0.983 40 HG12 ILE 8 HG12 ILE 8 -5.954 -7.234 0.561 41 HG13 ILE 8 HG13 ILE 8 -7.003 -8.618 0.791 42 HG21 ILE 8 HG21 ILE 8 -6.826 -6.543 -2.329 43 HG22 ILE 8 HG22 ILE 8 -6.730 -5.320 -1.058 44 HG23 ILE 8 HG23 ILE 8 -8.230 -5.550 -1.953 45 HD11 ILE 8 HD11 ILE 8 -5.043 -9.225 -0.454 46 HD12 ILE 8 HD12 ILE 8 -5.394 -8.007 -1.678 47 HD13 ILE 8 HD13 ILE 8 -6.472 -9.392 -1.474 48 H ALA 9 H ALA 9 -10.922 -6.981 -0.214 49 HA ALA 9 HA ALA 9 -11.666 -4.716 -1.661 50 HB1 ALA 9 HB1 ALA 9 -13.961 -5.619 -1.567 51 HB2 ALA 9 HB2 ALA 9 -13.490 -6.709 -0.259 52 HB3 ALA 9 HB3 ALA 9 -12.785 -6.902 -1.863 53 H LYS 10 H LYS 10 -11.975 -5.399 1.771 54 HA LYS 10 HA LYS 10 -13.629 -3.219 2.533 55 HB2 LYS 10 HB2 LYS 10 -13.399 -5.116 4.022 56 HB3 LYS 10 HB3 LYS 10 -11.652 -4.933 4.082 57 HG2 LYS 10 HG2 LYS 10 -11.889 -2.829 5.329 58 HG3 LYS 10 HG3 LYS 10 -13.650 -2.960 5.237 59 HD2 LYS 10 HD2 LYS 10 -13.613 -4.984 6.602 60 HD3 LYS 10 HD3 LYS 10 -11.846 -4.996 6.606 61 HE2 LYS 10 HE2 LYS 10 -12.797 -4.109 8.724 62 HE3 LYS 10 HE3 LYS 10 -11.793 -2.924 7.888 63 HZ1 LYS 10 HZ1 LYS 10 -14.758 -3.016 7.795 64 HZ2 LYS 10 HZ2 LYS 10 -13.778 -1.854 7.056 65 HZ3 LYS 10 HZ3 LYS 10 -13.840 -1.960 8.742 66 H PHE 11 H PHE 11 -10.057 -3.684 2.595 67 HA PHE 11 HA PHE 11 -9.351 -1.115 3.556 68 HB2 PHE 11 HB2 PHE 11 -7.741 -3.053 1.835 69 HB3 PHE 11 HB3 PHE 11 -7.061 -1.619 2.601 70 HD1 PHE 11 HD2 PHE 11 -7.647 -1.473 5.245 71 HD2 PHE 11 HD1 PHE 11 -7.358 -5.083 2.963 72 HE1 PHE 11 HE2 PHE 11 -7.181 -2.743 7.294 73 HE2 PHE 11 HE1 PHE 11 -6.893 -6.336 5.018 74 HZ PHE 11 HZ PHE 11 -6.799 -5.174 7.183 75 H GLU 12 H GLU 12 -10.020 -2.314 0.326 76 HA GLU 12 HA GLU 12 -9.075 -0.097 -1.189 77 HB2 GLU 12 HB2 GLU 12 -11.070 -2.293 -1.853 78 HB3 GLU 12 HB3 GLU 12 -10.517 -1.092 -3.023 79 HG2 GLU 12 HG2 GLU 12 -8.172 -1.911 -2.639 80 HG3 GLU 12 HG3 GLU 12 -8.837 -3.208 -1.640 81 H LYS 13 H LYS 13 -12.134 -0.919 0.324 82 HA LYS 13 HA LYS 13 -13.663 1.152 -0.967 83 HB2 LYS 13 HB2 LYS 13 -14.633 -1.016 -0.241 84 HB3 LYS 13 HB3 LYS 13 -14.330 -0.589 1.439 85 HG2 LYS 13 HG2 LYS 13 -15.980 1.170 1.376 86 HG3 LYS 13 HG3 LYS 13 -16.133 1.044 -0.378 87 HD2 LYS 13 HD2 LYS 13 -18.039 -0.012 0.810 88 HD3 LYS 13 HD3 LYS 13 -17.150 -1.159 -0.194 89 HE2 LYS 13 HE2 LYS 13 -15.930 -1.916 1.890 90 HE3 LYS 13 HE3 LYS 13 -17.004 -0.872 2.826 91 HZ1 LYS 13 HZ1 LYS 13 -17.859 -3.128 1.099 92 HZ2 LYS 13 HZ2 LYS 13 -18.876 -2.162 2.044 93 HZ3 LYS 13 HZ3 LYS 13 -17.743 -3.174 2.784 94 H ALA 14 H ALA 14 -12.131 0.703 2.227 95 HA ALA 14 HA ALA 14 -12.830 3.164 3.435 96 HB1 ALA 14 HB1 ALA 14 -10.327 1.472 3.817 97 HB2 ALA 14 HB2 ALA 14 -11.841 1.291 4.704 98 HB3 ALA 14 HB3 ALA 14 -10.870 2.749 4.905 99 H TYR 15 H TYR 15 -10.288 2.186 1.231 100 HA TYR 15 HA TYR 15 -8.693 4.486 1.128 101 HB2 TYR 15 HB2 TYR 15 -7.793 2.478 0.188 102 HB3 TYR 15 HB3 TYR 15 -9.208 2.213 -0.817 103 HD1 TYR 15 HD2 TYR 15 -6.261 4.490 -0.396 104 HD2 TYR 15 HD1 TYR 15 -9.259 2.986 -3.054 105 HE1 TYR 15 HE2 TYR 15 -5.178 5.640 -2.270 106 HE2 TYR 15 HE1 TYR 15 -8.199 4.138 -4.915 107 HH TYR 15 HH TYR 15 -6.709 6.050 -5.297 108 H LYS 16 H LYS 16 -11.735 3.688 -0.547 109 HA LYS 16 HA LYS 16 -11.651 5.724 -2.529 110 HB2 LYS 16 HB2 LYS 16 -14.084 4.379 -1.278 111 HB3 LYS 16 HB3 LYS 16 -14.121 5.362 -2.744 112 HG2 LYS 16 HG2 LYS 16 -12.527 2.798 -2.421 113 HG3 LYS 16 HG3 LYS 16 -14.125 2.895 -3.175 114 HD2 LYS 16 HD2 LYS 16 -13.141 4.436 -4.910 115 HD3 LYS 16 HD3 LYS 16 -11.559 4.237 -4.143 116 HE2 LYS 16 HE2 LYS 16 -13.209 2.044 -5.457 117 HE3 LYS 16 HE3 LYS 16 -11.724 2.766 -6.084 118 HZ1 LYS 16 HZ1 LYS 16 -11.963 1.191 -3.576 119 HZ2 LYS 16 HZ2 LYS 16 -10.544 1.903 -4.152 120 HZ3 LYS 16 HZ3 LYS 16 -11.275 0.658 -5.025 121 H LYS 17 H LYS 17 -12.807 5.671 0.801 122 HA LYS 17 HA LYS 17 -13.894 8.321 0.875 123 HB2 LYS 17 HB2 LYS 17 -14.623 6.678 2.508 124 HB3 LYS 17 HB3 LYS 17 -12.974 6.437 3.077 125 HG2 LYS 17 HG2 LYS 17 -12.938 8.742 3.968 126 HG3 LYS 17 HG3 LYS 17 -14.589 8.996 3.383 127 HD2 LYS 17 HD2 LYS 17 -15.434 7.276 4.889 128 HD3 LYS 17 HD3 LYS 17 -13.793 6.859 5.397 129 HE2 LYS 17 HE2 LYS 17 -13.531 9.098 6.394 130 HE3 LYS 17 HE3 LYS 17 -15.162 9.528 5.873 131 HZ1 LYS 17 HZ1 LYS 17 -15.053 8.858 8.205 132 HZ2 LYS 17 HZ2 LYS 17 -14.502 7.327 7.744 133 HZ3 LYS 17 HZ3 LYS 17 -16.053 7.835 7.299 134 H ALA 18 H ALA 18 -10.811 6.858 1.877 135 HA ALA 18 HA ALA 18 -9.400 9.032 2.891 136 HB1 ALA 18 HB1 ALA 18 -7.382 7.737 2.265 137 HB2 ALA 18 HB2 ALA 18 -8.368 6.691 1.238 138 HB3 ALA 18 HB3 ALA 18 -8.621 6.701 2.985 139 H GLU 19 H GLU 19 -9.866 7.969 -0.425 140 HA GLU 19 HA GLU 19 -8.093 9.779 -1.756 141 HB2 GLU 19 HB2 GLU 19 -8.653 7.544 -2.666 142 HB3 GLU 19 HB3 GLU 19 -10.350 8.003 -2.779 143 HG2 GLU 19 HG2 GLU 19 -9.696 9.757 -4.455 144 HG3 GLU 19 HG3 GLU 19 -8.046 9.141 -4.398 145 H GLU 20 H GLU 20 -11.584 9.575 -1.165 146 HA GLU 20 HA GLU 20 -12.580 11.664 -2.710 147 HB2 GLU 20 HB2 GLU 20 -13.928 9.894 -1.615 148 HB3 GLU 20 HB3 GLU 20 -13.516 10.545 -0.031 149 HG2 GLU 20 HG2 GLU 20 -14.693 12.658 -0.695 150 HG3 GLU 20 HG3 GLU 20 -15.224 11.831 -2.155 151 H LEU 21 H LEU 21 -11.257 11.632 0.559 152 HA LEU 21 HA LEU 21 -11.802 14.456 1.062 153 HB2 LEU 21 HB2 LEU 21 -10.340 12.401 2.770 154 HB3 LEU 21 HB3 LEU 21 -10.861 13.995 3.299 155 HG LEU 21 HG LEU 21 -12.684 11.672 2.551 156 HD11 LEU 21 HD11 LEU 21 -13.278 11.640 4.945 157 HD12 LEU 21 HD12 LEU 21 -12.061 12.884 5.261 158 HD13 LEU 21 HD13 LEU 21 -11.571 11.291 4.678 159 HD21 LEU 21 HD21 LEU 21 -13.416 14.445 3.549 160 HD22 LEU 21 HD22 LEU 21 -14.534 13.091 3.350 161 HD23 LEU 21 HD23 LEU 21 -13.738 13.781 1.941 162 H ASN 22 H ASN 22 -9.410 12.747 -0.537 163 HA ASN 22 HA ASN 22 -7.352 13.150 -1.354 164 HB2 ASN 22 HB2 ASN 22 -8.014 16.028 -0.607 165 HB3 ASN 22 HB3 ASN 22 -6.574 15.576 -1.514 166 HD21 ASN 22 HD21 ASN 22 -7.108 16.654 -3.390 167 HD22 ASN 22 HD22 ASN 22 -8.442 16.222 -4.401 168 H GLN 23 H GLN 23 -7.437 12.135 1.183 169 HA GLN 23 HA GLN 23 -5.377 13.505 2.790 170 HB2 GLN 23 HB2 GLN 23 -7.065 11.083 3.566 171 HB3 GLN 23 HB3 GLN 23 -6.044 12.042 4.635 172 HG2 GLN 23 HG2 GLN 23 -8.518 13.083 3.236 173 HG3 GLN 23 HG3 GLN 23 -8.507 12.427 4.866 174 HE21 GLN 23 HE21 GLN 23 -9.303 14.363 5.690 175 HE22 GLN 23 HE22 GLN 23 -8.337 15.784 5.840 176 H GLY 24 H GLY 24 -3.606 12.980 1.503 177 HA2 GLY 24 HA2 GLY 24 -3.123 10.527 0.231 178 HA3 GLY 24 HA3 GLY 24 -1.939 11.777 0.542 179 H GLU 25 H GLU 25 -2.418 11.473 3.570 180 HA GLU 25 HA GLU 25 -0.587 9.367 4.110 181 HB2 GLU 25 HB2 GLU 25 -1.114 9.665 6.490 182 HB3 GLU 25 HB3 GLU 25 -0.795 11.205 5.710 183 HG2 GLU 25 HG2 GLU 25 -3.132 11.799 5.763 184 HG3 GLU 25 HG3 GLU 25 -3.591 10.182 6.305 185 H LEU 26 H LEU 26 -4.142 9.636 4.505 186 HA LEU 26 HA LEU 26 -4.643 7.018 5.445 187 HB2 LEU 26 HB2 LEU 26 -6.352 9.163 4.153 188 HB3 LEU 26 HB3 LEU 26 -7.041 7.594 4.527 189 HG LEU 26 HG LEU 26 -5.788 9.420 6.618 190 HD11 LEU 26 HD11 LEU 26 -8.729 9.038 5.966 191 HD12 LEU 26 HD12 LEU 26 -7.780 10.497 5.679 192 HD13 LEU 26 HD13 LEU 26 -8.076 9.957 7.328 193 HD21 LEU 26 HD21 LEU 26 -5.761 7.044 7.234 194 HD22 LEU 26 HD22 LEU 26 -7.495 6.924 6.891 195 HD23 LEU 26 HD23 LEU 26 -6.917 7.934 8.225 196 H MET 27 H MET 27 -4.389 8.395 2.214 197 HA MET 27 HA MET 27 -5.472 6.216 0.730 198 HB2 MET 27 HB2 MET 27 -3.621 8.491 -0.103 199 HB3 MET 27 HB3 MET 27 -4.363 7.364 -1.234 200 HG2 MET 27 HG2 MET 27 -6.521 8.222 -0.848 201 HG3 MET 27 HG3 MET 27 -6.039 9.018 0.648 202 HE1 MET 27 HE1 MET 27 -5.689 9.078 -3.277 203 HE2 MET 27 HE2 MET 27 -4.005 9.139 -2.748 204 HE3 MET 27 HE3 MET 27 -4.745 10.547 -3.506 205 H GLY 28 H GLY 28 -2.127 7.271 1.398 206 HA2 GLY 28 HA2 GLY 28 -0.770 5.171 0.098 207 HA3 GLY 28 HA3 GLY 28 -0.118 6.203 1.364 208 H ARG 29 H ARG 29 -1.858 5.573 3.452 209 HA ARG 29 HA ARG 29 -0.749 3.246 4.594 210 HB2 ARG 29 HB2 ARG 29 -3.108 4.995 5.396 211 HB3 ARG 29 HB3 ARG 29 -2.642 3.592 6.353 212 HG2 ARG 29 HG2 ARG 29 -0.600 4.551 7.025 213 HG3 ARG 29 HG3 ARG 29 -0.613 5.734 5.715 214 HD2 ARG 29 HD2 ARG 29 -1.102 6.722 7.962 215 HD3 ARG 29 HD3 ARG 29 -2.363 7.000 6.761 216 HE ARG 29 HE ARG 29 -2.882 4.681 8.352 217 HH11 ARG 29 HH11 ARG 29 -3.150 8.202 8.379 218 HH12 ARG 29 HH12 ARG 29 -4.458 8.197 9.511 219 HH21 ARG 29 HH21 ARG 29 -4.601 4.723 9.816 220 HH22 ARG 29 HH22 ARG 29 -5.275 6.238 10.322 221 H ALA 30 H ALA 30 -3.861 3.887 3.028 222 HA ALA 30 HA ALA 30 -5.154 1.431 3.533 223 HB1 ALA 30 HB1 ALA 30 -6.360 3.452 2.781 224 HB2 ALA 30 HB2 ALA 30 -6.684 2.089 1.708 225 HB3 ALA 30 HB3 ALA 30 -5.555 3.356 1.207 226 H LEU 31 H LEU 31 -3.316 2.600 0.691 227 HA LEU 31 HA LEU 31 -3.403 0.234 -0.861 228 HB2 LEU 31 HB2 LEU 31 -1.373 2.506 -0.885 229 HB3 LEU 31 HB3 LEU 31 -1.497 1.270 -2.133 230 HG LEU 31 HG LEU 31 -3.660 3.298 -1.452 231 HD11 LEU 31 HD11 LEU 31 -3.124 4.359 -3.580 232 HD12 LEU 31 HD12 LEU 31 -1.795 3.224 -3.831 233 HD13 LEU 31 HD13 LEU 31 -1.738 4.375 -2.491 234 HD21 LEU 31 HD21 LEU 31 -4.622 1.204 -2.279 235 HD22 LEU 31 HD22 LEU 31 -3.560 1.247 -3.692 236 HD23 LEU 31 HD23 LEU 31 -4.802 2.486 -3.470 237 H TYR 32 H TYR 32 -1.227 1.349 1.662 238 HA TYR 32 HA TYR 32 0.853 -0.546 1.326 239 HB2 TYR 32 HB2 TYR 32 1.103 1.586 2.637 240 HB3 TYR 32 HB3 TYR 32 0.036 0.936 3.877 241 HD1 TYR 32 HD2 TYR 32 3.255 0.252 2.103 242 HD2 TYR 32 HD1 TYR 32 1.006 -0.318 5.695 243 HE1 TYR 32 HE2 TYR 32 5.207 -0.788 3.160 244 HE2 TYR 32 HE1 TYR 32 2.971 -1.353 6.746 245 HH TYR 32 HH TYR 32 5.088 -2.633 5.849 246 H ASN 33 H ASN 33 -2.119 -0.494 3.300 247 HA ASN 33 HA ASN 33 -1.722 -2.953 4.678 248 HB2 ASN 33 HB2 ASN 33 -4.195 -1.267 4.133 249 HB3 ASN 33 HB3 ASN 33 -4.303 -2.805 4.984 250 HD21 ASN 33 HD21 ASN 33 -1.571 -0.569 5.390 251 HD22 ASN 33 HD22 ASN 33 -1.956 -0.143 7.011 252 H ILE 34 H ILE 34 -3.511 -2.088 1.732 253 HA ILE 34 HA ILE 34 -4.547 -4.565 0.965 254 HB ILE 34 HB ILE 34 -3.499 -2.311 -0.822 255 HG12 ILE 34 HG12 ILE 34 -6.402 -2.881 -0.048 256 HG13 ILE 34 HG13 ILE 34 -5.381 -1.724 0.796 257 HG21 ILE 34 HG21 ILE 34 -3.645 -4.347 -2.150 258 HG22 ILE 34 HG22 ILE 34 -4.960 -3.270 -2.612 259 HG23 ILE 34 HG23 ILE 34 -5.280 -4.658 -1.575 260 HD11 ILE 34 HD11 ILE 34 -6.843 -0.616 -0.788 261 HD12 ILE 34 HD12 ILE 34 -6.173 -1.565 -2.112 262 HD13 ILE 34 HD13 ILE 34 -5.154 -0.406 -1.253 263 H GLY 35 H GLY 35 -1.380 -3.099 0.322 264 HA2 GLY 35 HA2 GLY 35 -0.261 -5.061 -1.346 265 HA3 GLY 35 HA3 GLY 35 0.625 -3.902 -0.369 266 H LEU 36 H LEU 36 -0.150 -4.646 2.201 267 HA LEU 36 HA LEU 36 1.571 -6.811 2.798 268 HB2 LEU 36 HB2 LEU 36 -0.581 -5.515 4.522 269 HB3 LEU 36 HB3 LEU 36 0.595 -6.678 5.124 270 HG LEU 36 HG LEU 36 1.268 -3.941 3.983 271 HD11 LEU 36 HD11 LEU 36 1.824 -3.310 6.274 272 HD12 LEU 36 HD12 LEU 36 1.261 -4.875 6.861 273 HD13 LEU 36 HD13 LEU 36 0.126 -3.744 6.117 274 HD21 LEU 36 HD21 LEU 36 3.083 -5.527 3.568 275 HD22 LEU 36 HD22 LEU 36 3.089 -6.010 5.267 276 HD23 LEU 36 HD23 LEU 36 3.554 -4.368 4.806 277 H GLU 37 H GLU 37 -1.904 -6.606 2.351 278 HA GLU 37 HA GLU 37 -2.578 -9.237 3.215 279 HB2 GLU 37 HB2 GLU 37 -4.023 -7.268 1.411 280 HB3 GLU 37 HB3 GLU 37 -4.732 -8.775 1.983 281 HG2 GLU 37 HG2 GLU 37 -3.802 -6.520 3.791 282 HG3 GLU 37 HG3 GLU 37 -5.459 -6.736 3.228 283 H LYS 38 H LYS 38 -1.874 -7.799 0.012 284 HA LYS 38 HA LYS 38 -2.163 -10.084 -1.620 285 HB2 LYS 38 HB2 LYS 38 -0.207 -7.752 -1.874 286 HB3 LYS 38 HB3 LYS 38 -0.534 -8.916 -3.154 287 HG2 LYS 38 HG2 LYS 38 -2.584 -7.028 -1.959 288 HG3 LYS 38 HG3 LYS 38 -1.679 -6.732 -3.450 289 HD2 LYS 38 HD2 LYS 38 -2.692 -8.824 -4.415 290 HD3 LYS 38 HD3 LYS 38 -3.663 -8.993 -2.944 291 HE2 LYS 38 HE2 LYS 38 -4.763 -6.848 -3.409 292 HE3 LYS 38 HE3 LYS 38 -3.752 -6.620 -4.840 293 HZ1 LYS 38 HZ1 LYS 38 -5.716 -8.795 -4.426 294 HZ2 LYS 38 HZ2 LYS 38 -4.729 -8.611 -5.788 295 HZ3 LYS 38 HZ3 LYS 38 -5.913 -7.449 -5.433 296 H ASN 39 H ASN 39 0.510 -8.858 0.286 297 HA ASN 39 HA ASN 39 2.620 -10.489 -0.558 298 HB2 ASN 39 HB2 ASN 39 2.723 -8.294 0.724 299 HB3 ASN 39 HB3 ASN 39 2.256 -9.172 2.172 300 HD21 ASN 39 HD21 ASN 39 4.646 -7.598 1.672 301 HD22 ASN 39 HD22 ASN 39 5.985 -8.655 1.931 302 H LYS 40 H LYS 40 0.374 -10.843 2.208 303 HA LYS 40 HA LYS 40 1.508 -13.329 3.130 304 HB2 LYS 40 HB2 LYS 40 -0.328 -13.376 4.755 305 HB3 LYS 40 HB3 LYS 40 0.446 -11.796 4.722 306 HG2 LYS 40 HG2 LYS 40 -1.416 -10.875 3.428 307 HG3 LYS 40 HG3 LYS 40 -2.180 -12.461 3.341 308 HD2 LYS 40 HD2 LYS 40 -3.233 -10.994 5.036 309 HD3 LYS 40 HD3 LYS 40 -2.564 -12.458 5.754 310 HE2 LYS 40 HE2 LYS 40 -2.107 -10.472 7.143 311 HE3 LYS 40 HE3 LYS 40 -0.607 -11.182 6.550 312 HZ1 LYS 40 HZ1 LYS 40 -0.694 -8.739 6.404 313 HZ2 LYS 40 HZ2 LYS 40 -1.967 -8.862 5.298 314 HZ3 LYS 40 HZ3 LYS 40 -0.440 -9.483 4.906 315 H MET 41 H MET 41 -1.027 -12.478 0.854 316 HA MET 41 HA MET 41 -2.188 -15.114 0.645 317 HB2 MET 41 HB2 MET 41 -2.330 -12.641 -1.124 318 HB3 MET 41 HB3 MET 41 -3.114 -14.149 -1.577 319 HG2 MET 41 HG2 MET 41 -4.557 -14.043 0.359 320 HG3 MET 41 HG3 MET 41 -3.696 -12.633 0.976 321 HE1 MET 41 HE1 MET 41 -4.609 -13.182 -2.864 322 HE2 MET 41 HE2 MET 41 -6.225 -12.476 -2.904 323 HE3 MET 41 HE3 MET 41 -5.939 -13.969 -2.010 324 H GLY 42 H GLY 42 0.723 -13.709 -0.442 325 HA2 GLY 42 HA2 GLY 42 2.479 -14.870 -1.478 326 HA3 GLY 42 HA3 GLY 42 1.338 -16.018 -2.158 327 H LYS 43 H LYS 43 -0.018 -13.067 -2.669 328 HA LYS 43 HA LYS 43 0.871 -12.862 -5.449 329 HB2 LYS 43 HB2 LYS 43 -1.312 -11.356 -3.934 330 HB3 LYS 43 HB3 LYS 43 -0.974 -11.188 -5.661 331 HG2 LYS 43 HG2 LYS 43 -1.474 -13.624 -5.945 332 HG3 LYS 43 HG3 LYS 43 -1.945 -13.691 -4.239 333 HD2 LYS 43 HD2 LYS 43 -3.768 -12.103 -4.638 334 HD3 LYS 43 HD3 LYS 43 -3.248 -11.869 -6.313 335 HE2 LYS 43 HE2 LYS 43 -3.736 -14.284 -6.745 336 HE3 LYS 43 HE3 LYS 43 -4.352 -14.426 -5.097 337 HZ1 LYS 43 HZ1 LYS 43 -6.109 -14.093 -6.733 338 HZ2 LYS 43 HZ2 LYS 43 -5.437 -12.600 -7.165 339 HZ3 LYS 43 HZ3 LYS 43 -6.050 -12.833 -5.608 340 H VAL 44 H VAL 44 3.022 -12.315 -4.650 341 HA VAL 44 HA VAL 44 3.530 -9.958 -3.111 342 HB VAL 44 HB VAL 44 5.491 -11.681 -4.694 343 HG11 VAL 44 HG11 VAL 44 6.458 -9.512 -4.055 344 HG12 VAL 44 HG12 VAL 44 7.201 -10.812 -3.125 345 HG13 VAL 44 HG13 VAL 44 5.986 -9.775 -2.373 346 HG21 VAL 44 HG21 VAL 44 4.206 -13.057 -3.091 347 HG22 VAL 44 HG22 VAL 44 4.622 -11.949 -1.781 348 HG23 VAL 44 HG23 VAL 44 5.886 -12.900 -2.568 349 H LYS 45 H LYS 45 3.322 -10.636 -6.544 350 HA LYS 45 HA LYS 45 4.829 -8.400 -7.518 351 HB2 LYS 45 HB2 LYS 45 2.739 -10.170 -8.861 352 HB3 LYS 45 HB3 LYS 45 3.503 -8.828 -9.697 353 HG2 LYS 45 HG2 LYS 45 4.566 -10.940 -10.292 354 HG3 LYS 45 HG3 LYS 45 5.695 -9.865 -9.464 355 HD2 LYS 45 HD2 LYS 45 5.533 -11.158 -7.418 356 HD3 LYS 45 HD3 LYS 45 4.210 -12.123 -8.071 357 HE2 LYS 45 HE2 LYS 45 7.048 -12.134 -9.156 358 HE3 LYS 45 HE3 LYS 45 6.384 -13.335 -8.043 359 HZ1 LYS 45 HZ1 LYS 45 5.489 -12.778 -10.816 360 HZ2 LYS 45 HZ2 LYS 45 4.656 -13.787 -9.747 361 HZ3 LYS 45 HZ3 LYS 45 6.223 -14.189 -10.238 362 H GLU 46 H GLU 46 1.395 -8.981 -6.844 363 HA GLU 46 HA GLU 46 0.480 -6.389 -7.601 364 HB2 GLU 46 HB2 GLU 46 -0.845 -8.379 -5.709 365 HB3 GLU 46 HB3 GLU 46 -1.605 -6.928 -6.368 366 HG2 GLU 46 HG2 GLU 46 -1.073 -7.977 -8.691 367 HG3 GLU 46 HG3 GLU 46 -0.835 -9.480 -7.801 368 H ALA 47 H ALA 47 1.614 -7.829 -4.572 369 HA ALA 47 HA ALA 47 1.079 -5.819 -2.718 370 HB1 ALA 47 HB1 ALA 47 3.542 -7.613 -2.829 371 HB2 ALA 47 HB2 ALA 47 1.992 -8.041 -2.098 372 HB3 ALA 47 HB3 ALA 47 2.968 -6.740 -1.412 373 H ILE 48 H ILE 48 3.894 -6.256 -4.845 374 HA ILE 48 HA ILE 48 5.421 -4.016 -4.222 375 HB ILE 48 HB ILE 48 5.130 -5.579 -6.822 376 HG12 ILE 48 HG12 ILE 48 7.339 -5.533 -4.713 377 HG13 ILE 48 HG13 ILE 48 6.102 -6.775 -4.873 378 HG21 ILE 48 HG21 ILE 48 5.898 -3.333 -7.469 379 HG22 ILE 48 HG22 ILE 48 7.199 -4.503 -7.675 380 HG23 ILE 48 HG23 ILE 48 7.205 -3.414 -6.286 381 HD11 ILE 48 HD11 ILE 48 8.204 -7.530 -5.767 382 HD12 ILE 48 HD12 ILE 48 8.271 -6.161 -6.873 383 HD13 ILE 48 HD13 ILE 48 7.015 -7.391 -7.064 384 H GLU 49 H GLU 49 2.814 -4.343 -6.664 385 HA GLU 49 HA GLU 49 2.947 -1.815 -7.847 386 HB2 GLU 49 HB2 GLU 49 0.419 -3.463 -7.357 387 HB3 GLU 49 HB3 GLU 49 0.575 -2.129 -8.509 388 HG2 GLU 49 HG2 GLU 49 2.310 -3.453 -9.726 389 HG3 GLU 49 HG3 GLU 49 2.009 -4.801 -8.626 390 H TYR 50 H TYR 50 1.081 -2.891 -5.027 391 HA TYR 50 HA TYR 50 -0.217 -0.394 -4.580 392 HB2 TYR 50 HB2 TYR 50 0.015 -2.943 -2.968 393 HB3 TYR 50 HB3 TYR 50 -0.799 -1.522 -2.334 394 HD1 TYR 50 HD2 TYR 50 -2.753 -0.525 -3.676 395 HD2 TYR 50 HD1 TYR 50 -1.184 -4.424 -4.460 396 HE1 TYR 50 HE2 TYR 50 -4.808 -1.119 -4.888 397 HE2 TYR 50 HE1 TYR 50 -3.223 -5.009 -5.672 398 HH TYR 50 HH TYR 50 -5.579 -4.307 -5.740 399 H PHE 51 H PHE 51 2.771 -1.825 -3.301 400 HA PHE 51 HA PHE 51 3.154 0.174 -1.258 401 HB2 PHE 51 HB2 PHE 51 5.185 -1.690 -2.528 402 HB3 PHE 51 HB3 PHE 51 5.481 -0.697 -1.105 403 HD1 PHE 51 HD1 PHE 51 2.841 -1.242 0.348 404 HD2 PHE 51 HD2 PHE 51 5.620 -3.832 -1.638 405 HE1 PHE 51 HE1 PHE 51 2.176 -3.099 1.811 406 HE2 PHE 51 HE2 PHE 51 4.929 -5.683 -0.180 407 HZ PHE 51 HZ PHE 51 3.211 -5.316 1.545 408 H LEU 52 H LEU 52 3.950 -0.143 -4.667 409 HA LEU 52 HA LEU 52 5.913 1.965 -4.827 410 HB2 LEU 52 HB2 LEU 52 4.177 0.621 -6.933 411 HB3 LEU 52 HB3 LEU 52 5.259 1.943 -7.342 412 HG LEU 52 HG LEU 52 6.146 -0.732 -6.195 413 HD11 LEU 52 HD11 LEU 52 7.000 -1.234 -8.424 414 HD12 LEU 52 HD12 LEU 52 6.339 0.282 -9.044 415 HD13 LEU 52 HD13 LEU 52 5.255 -0.987 -8.459 416 HD21 LEU 52 HD21 LEU 52 7.816 1.561 -7.287 417 HD22 LEU 52 HD22 LEU 52 8.424 -0.007 -6.745 418 HD23 LEU 52 HD23 LEU 52 7.680 1.093 -5.589 419 H ARG 53 H ARG 53 2.466 1.667 -5.482 420 HA ARG 53 HA ARG 53 1.844 4.321 -6.130 421 HB2 ARG 53 HB2 ARG 53 0.163 2.104 -4.892 422 HB3 ARG 53 HB3 ARG 53 -0.505 3.653 -5.415 423 HG2 ARG 53 HG2 ARG 53 0.262 3.201 -7.722 424 HG3 ARG 53 HG3 ARG 53 0.888 1.631 -7.206 425 HD2 ARG 53 HD2 ARG 53 -1.319 1.452 -8.297 426 HD3 ARG 53 HD3 ARG 53 -1.366 0.900 -6.616 427 HE ARG 53 HE ARG 53 -2.106 3.687 -7.097 428 HH11 ARG 53 HH11 ARG 53 -3.252 0.407 -6.586 429 HH12 ARG 53 HH12 ARG 53 -4.842 0.912 -6.120 430 HH21 ARG 53 HH21 ARG 53 -4.177 4.344 -6.447 431 HH22 ARG 53 HH22 ARG 53 -5.367 3.156 -6.038 432 H ALA 54 H ALA 54 1.678 2.592 -3.017 433 HA ALA 54 HA ALA 54 0.653 4.563 -1.352 434 HB1 ALA 54 HB1 ALA 54 0.861 2.195 -0.669 435 HB2 ALA 54 HB2 ALA 54 1.605 3.261 0.524 436 HB3 ALA 54 HB3 ALA 54 2.620 2.362 -0.607 437 H LYS 55 H LYS 55 4.026 3.742 -2.086 438 HA LYS 55 HA LYS 55 5.331 5.602 -0.446 439 HB2 LYS 55 HB2 LYS 55 6.487 3.657 -1.446 440 HB3 LYS 55 HB3 LYS 55 6.259 4.331 -3.060 441 HG2 LYS 55 HG2 LYS 55 7.700 6.245 -2.466 442 HG3 LYS 55 HG3 LYS 55 7.925 5.569 -0.848 443 HD2 LYS 55 HD2 LYS 55 9.023 3.580 -1.840 444 HD3 LYS 55 HD3 LYS 55 8.800 4.265 -3.457 445 HE2 LYS 55 HE2 LYS 55 10.199 6.216 -2.774 446 HE3 LYS 55 HE3 LYS 55 10.470 5.446 -1.209 447 HZ1 LYS 55 HZ1 LYS 55 11.552 3.625 -2.331 448 HZ2 LYS 55 HZ2 LYS 55 12.301 5.084 -2.736 449 HZ3 LYS 55 HZ3 LYS 55 11.266 4.329 -3.840 450 H LYS 56 H LYS 56 4.307 5.775 -3.837 451 HA LYS 56 HA LYS 56 5.413 8.288 -4.496 452 HB2 LYS 56 HB2 LYS 56 4.766 6.619 -6.175 453 HB3 LYS 56 HB3 LYS 56 3.081 6.738 -5.706 454 HG2 LYS 56 HG2 LYS 56 4.503 9.182 -6.773 455 HG3 LYS 56 HG3 LYS 56 3.978 7.930 -7.897 456 HD2 LYS 56 HD2 LYS 56 2.174 9.488 -5.987 457 HD3 LYS 56 HD3 LYS 56 2.311 9.753 -7.728 458 HE2 LYS 56 HE2 LYS 56 1.404 7.510 -8.147 459 HE3 LYS 56 HE3 LYS 56 1.326 7.193 -6.413 460 HZ1 LYS 56 HZ1 LYS 56 -0.803 7.837 -7.394 461 HZ2 LYS 56 HZ2 LYS 56 -0.165 9.347 -7.794 462 HZ3 LYS 56 HZ3 LYS 56 -0.308 8.895 -6.171 463 H VAL 57 H VAL 57 2.276 7.351 -3.131 464 HA VAL 57 HA VAL 57 1.061 9.934 -3.252 465 HB VAL 57 HB VAL 57 0.335 7.575 -1.441 466 HG11 VAL 57 HG11 VAL 57 -0.637 9.684 -0.621 467 HG12 VAL 57 HG12 VAL 57 -1.904 8.652 -1.285 468 HG13 VAL 57 HG13 VAL 57 -1.301 10.024 -2.221 469 HG21 VAL 57 HG21 VAL 57 -1.371 7.005 -3.134 470 HG22 VAL 57 HG22 VAL 57 0.233 6.994 -3.860 471 HG23 VAL 57 HG23 VAL 57 -0.842 8.357 -4.148 472 H PHE 58 H PHE 58 2.829 8.151 -0.704 473 HA PHE 58 HA PHE 58 2.724 10.104 1.341 474 HB2 PHE 58 HB2 PHE 58 4.650 7.817 0.811 475 HB3 PHE 58 HB3 PHE 58 4.862 8.886 2.193 476 HD1 PHE 58 HD2 PHE 58 2.316 9.260 3.397 477 HD2 PHE 58 HD1 PHE 58 3.816 5.725 1.496 478 HE1 PHE 58 HE2 PHE 58 0.850 7.870 4.797 479 HE2 PHE 58 HE1 PHE 58 2.352 4.353 2.906 480 HZ PHE 58 HZ PHE 58 0.874 5.421 4.559 481 H ASP 59 H ASP 59 4.889 9.671 -1.402 482 HA ASP 59 HA ASP 59 6.924 11.511 -0.647 483 HB2 ASP 59 HB2 ASP 59 7.239 9.719 -2.358 484 HB3 ASP 59 HB3 ASP 59 6.134 10.550 -3.437 485 H ALA 60 H ALA 60 3.930 11.740 -2.487 486 HA ALA 60 HA ALA 60 4.093 14.452 -3.302 487 HB1 ALA 60 HB1 ALA 60 2.525 12.849 -4.313 488 HB2 ALA 60 HB2 ALA 60 1.659 14.253 -3.688 489 HB3 ALA 60 HB3 ALA 60 1.635 12.732 -2.791 490 H GLU 61 H GLU 61 2.923 12.868 -0.379 491 HA GLU 61 HA GLU 61 1.940 15.226 0.955 492 HB2 GLU 61 HB2 GLU 61 2.725 12.503 2.106 493 HB3 GLU 61 HB3 GLU 61 1.805 13.750 2.959 494 HG2 GLU 61 HG2 GLU 61 0.896 12.282 0.458 495 HG3 GLU 61 HG3 GLU 61 0.385 11.923 2.109 496 H HIS 62 H HIS 62 5.048 14.100 0.280 497 HA HIS 62 HA HIS 62 7.148 14.551 0.912 498 HB2 HIS 62 HB2 HIS 62 5.931 16.883 2.451 499 HB3 HIS 62 HB3 HIS 62 7.638 16.711 2.050 500 HD1 HIS 62 HD1 HIS 62 4.794 18.462 0.907 501 HD2 HIS 62 HD2 HIS 62 7.809 16.368 -1.017 502 HE1 HIS 62 HE1 HIS 62 4.751 19.255 -1.473 503 HE2 HIS 62 HE2 HIS 62 6.515 17.885 -2.644 504 H ASP 63 H ASP 63 5.260 12.908 2.559 505 HA ASP 63 HA ASP 63 6.453 12.833 5.204 506 HB2 ASP 63 HB2 ASP 63 4.094 12.241 5.034 507 HB3 ASP 63 HB3 ASP 63 4.431 11.048 3.779 508 H THR 64 H THR 64 8.545 12.332 5.064 509 HA THR 64 HA THR 64 9.751 10.612 3.177 510 HB THR 64 HB THR 64 11.068 12.357 4.171 511 HG1 THR 64 HG1 THR 64 12.402 10.720 3.669 512 HG21 THR 64 HG21 THR 64 10.718 11.024 6.883 513 HG22 THR 64 HG22 THR 64 9.986 12.550 6.380 514 HG23 THR 64 HG23 THR 64 11.739 12.420 6.537 515 H ASP 65 H ASP 65 8.609 10.084 6.498 516 HA ASP 65 HA ASP 65 9.860 7.585 6.970 517 HB2 ASP 65 HB2 ASP 65 9.081 8.969 8.826 518 HB3 ASP 65 HB3 ASP 65 7.415 8.864 8.265 519 H GLY 66 H GLY 66 6.582 8.439 5.844 520 HA2 GLY 66 HA2 GLY 66 5.541 5.792 5.717 521 HA3 GLY 66 HA3 GLY 66 4.884 7.209 4.911 522 H ALA 67 H ALA 67 7.136 7.883 3.339 523 HA ALA 67 HA ALA 67 6.897 6.200 1.075 524 HB1 ALA 67 HB1 ALA 67 8.736 7.565 0.140 525 HB2 ALA 67 HB2 ALA 67 9.048 8.245 1.738 526 HB3 ALA 67 HB3 ALA 67 7.521 8.586 0.925 527 H ARG 68 H ARG 68 9.288 6.409 3.690 528 HA ARG 68 HA ARG 68 11.105 4.419 2.747 529 HB2 ARG 68 HB2 ARG 68 10.605 5.579 5.516 530 HB3 ARG 68 HB3 ARG 68 11.877 4.404 5.190 531 HG2 ARG 68 HG2 ARG 68 13.041 5.936 3.746 532 HG3 ARG 68 HG3 ARG 68 11.697 7.083 3.783 533 HD2 ARG 68 HD2 ARG 68 13.570 7.784 5.247 534 HD3 ARG 68 HD3 ARG 68 12.075 7.515 6.150 535 HE ARG 68 HE ARG 68 13.937 5.272 6.023 536 HH11 ARG 68 HH11 ARG 68 12.822 8.013 7.936 537 HH12 ARG 68 HH12 ARG 68 13.453 7.384 9.423 538 HH21 ARG 68 HH21 ARG 68 14.696 4.438 7.983 539 HH22 ARG 68 HH22 ARG 68 14.519 5.353 9.448 540 H ARG 69 H ARG 69 8.166 4.344 4.675 541 HA ARG 69 HA ARG 69 8.349 1.762 5.828 542 HB2 ARG 69 HB2 ARG 69 6.446 3.928 5.837 543 HB3 ARG 69 HB3 ARG 69 5.544 2.531 5.284 544 HG2 ARG 69 HG2 ARG 69 7.067 2.788 7.892 545 HG3 ARG 69 HG3 ARG 69 5.312 2.788 7.689 546 HD2 ARG 69 HD2 ARG 69 5.447 0.452 6.843 547 HD3 ARG 69 HD3 ARG 69 7.194 0.468 7.115 548 HE ARG 69 HE ARG 69 6.019 1.159 9.533 549 HH11 ARG 69 HH11 ARG 69 6.049 -1.625 7.412 550 HH12 ARG 69 HH12 ARG 69 5.794 -2.767 8.690 551 HH21 ARG 69 HH21 ARG 69 5.659 -0.349 11.210 552 HH22 ARG 69 HH22 ARG 69 5.574 -2.045 10.836 553 H ALA 70 H ALA 70 6.706 2.962 2.921 554 HA ALA 70 HA ALA 70 5.818 0.462 1.924 555 HB1 ALA 70 HB1 ALA 70 5.321 1.696 -0.144 556 HB2 ALA 70 HB2 ALA 70 6.258 3.074 0.441 557 HB3 ALA 70 HB3 ALA 70 4.781 2.598 1.277 558 H ALA 71 H ALA 71 8.748 2.410 1.372 559 HA ALA 71 HA ALA 71 9.898 0.852 -0.707 560 HB1 ALA 71 HB1 ALA 71 11.972 2.081 -0.202 561 HB2 ALA 71 HB2 ALA 71 11.265 2.675 1.303 562 HB3 ALA 71 HB3 ALA 71 10.582 3.171 -0.245 563 H LYS 72 H LYS 72 9.930 0.566 2.773 564 HA LYS 72 HA LYS 72 12.104 -1.265 3.055 565 HB2 LYS 72 HB2 LYS 72 11.279 0.172 4.921 566 HB3 LYS 72 HB3 LYS 72 9.755 -0.700 4.922 567 HG2 LYS 72 HG2 LYS 72 11.086 -1.516 6.754 568 HG3 LYS 72 HG3 LYS 72 10.983 -2.790 5.533 569 HD2 LYS 72 HD2 LYS 72 13.258 -2.133 4.699 570 HD3 LYS 72 HD3 LYS 72 13.354 -0.922 5.983 571 HE2 LYS 72 HE2 LYS 72 13.133 -2.772 7.659 572 HE3 LYS 72 HE3 LYS 72 13.182 -3.934 6.328 573 HZ1 LYS 72 HZ1 LYS 72 15.370 -3.051 5.736 574 HZ2 LYS 72 HZ2 LYS 72 15.352 -3.690 7.301 575 HZ3 LYS 72 HZ3 LYS 72 15.323 -2.012 7.072 576 H SER 73 H SER 73 8.575 -1.582 3.073 577 HA SER 73 HA SER 73 8.415 -4.399 3.266 578 HB2 SER 73 HB2 SER 73 6.592 -2.688 3.790 579 HB3 SER 73 HB3 SER 73 6.336 -2.531 2.051 580 HG SER 73 HG SER 73 6.372 -5.126 2.880 581 H LEU 74 H LEU 74 8.706 -2.170 0.547 582 HA LEU 74 HA LEU 74 8.417 -3.970 -1.605 583 HB2 LEU 74 HB2 LEU 74 9.761 -1.297 -1.250 584 HB3 LEU 74 HB3 LEU 74 10.105 -2.199 -2.716 585 HG LEU 74 HG LEU 74 7.300 -1.481 -1.831 586 HD11 LEU 74 HD11 LEU 74 9.013 -0.020 -3.838 587 HD12 LEU 74 HD12 LEU 74 8.510 0.583 -2.256 588 HD13 LEU 74 HD13 LEU 74 7.302 0.276 -3.502 589 HD21 LEU 74 HD21 LEU 74 8.362 -2.497 -4.484 590 HD22 LEU 74 HD22 LEU 74 6.690 -2.030 -4.147 591 HD23 LEU 74 HD23 LEU 74 7.399 -3.414 -3.319 592 H SER 75 H SER 75 11.289 -2.970 0.269 593 HA SER 75 HA SER 75 13.268 -4.322 -1.198 594 HB2 SER 75 HB2 SER 75 13.732 -2.573 0.526 595 HB3 SER 75 HB3 SER 75 13.234 -3.695 1.790 596 HG SER 75 HG SER 75 15.564 -3.648 0.244 597 H GLU 76 H GLU 76 11.103 -5.424 1.359 598 HA GLU 76 HA GLU 76 12.208 -8.067 1.658 599 HB2 GLU 76 HB2 GLU 76 9.488 -6.962 2.483 600 HB3 GLU 76 HB3 GLU 76 10.196 -8.484 3.042 601 HG2 GLU 76 HG2 GLU 76 11.982 -7.272 4.182 602 HG3 GLU 76 HG3 GLU 76 11.399 -5.736 3.545 603 H ALA 77 H ALA 77 9.620 -6.571 -0.236 604 HA ALA 77 HA ALA 77 8.313 -8.944 -1.114 605 HB1 ALA 77 HB1 ALA 77 7.131 -7.469 -2.698 606 HB2 ALA 77 HB2 ALA 77 8.260 -6.161 -2.335 607 HB3 ALA 77 HB3 ALA 77 7.174 -6.757 -1.081 608 H TYR 78 H TYR 78 10.924 -6.969 -2.492 609 HA TYR 78 HA TYR 78 10.991 -8.191 -5.052 610 HB2 TYR 78 HB2 TYR 78 13.023 -6.475 -3.579 611 HB3 TYR 78 HB3 TYR 78 13.333 -7.111 -5.192 612 HD1 TYR 78 HD2 TYR 78 11.247 -6.683 -6.903 613 HD2 TYR 78 HD1 TYR 78 12.191 -4.253 -3.517 614 HE1 TYR 78 HE2 TYR 78 10.031 -4.804 -7.912 615 HE2 TYR 78 HE1 TYR 78 10.979 -2.382 -4.523 616 HH TYR 78 HH TYR 78 10.230 -1.602 -6.674 617 H GLN 79 H GLN 79 12.414 -9.025 -1.955 618 HA GLN 79 HA GLN 79 14.340 -10.926 -2.747 619 HB2 GLN 79 HB2 GLN 79 12.558 -10.928 -0.271 620 HB3 GLN 79 HB3 GLN 79 13.992 -11.936 -0.475 621 HG2 GLN 79 HG2 GLN 79 15.426 -9.990 -0.470 622 HG3 GLN 79 HG3 GLN 79 14.033 -8.905 -0.480 623 HE21 GLN 79 HE21 GLN 79 14.704 -7.892 1.432 624 HE22 GLN 79 HE22 GLN 79 14.609 -8.665 2.976 625 H LYS 80 H LYS 80 10.870 -11.173 -2.163 626 HA LYS 80 HA LYS 80 10.649 -14.018 -2.299 627 HB2 LYS 80 HB2 LYS 80 8.429 -11.963 -2.702 628 HB3 LYS 80 HB3 LYS 80 8.254 -13.632 -2.151 629 HG2 LYS 80 HG2 LYS 80 9.303 -13.120 -0.032 630 HG3 LYS 80 HG3 LYS 80 9.776 -11.512 -0.595 631 HD2 LYS 80 HD2 LYS 80 7.280 -10.994 -0.821 632 HD3 LYS 80 HD3 LYS 80 6.975 -12.515 0.025 633 HE2 LYS 80 HE2 LYS 80 8.611 -10.206 1.145 634 HE3 LYS 80 HE3 LYS 80 6.915 -10.515 1.522 635 HZ1 LYS 80 HZ1 LYS 80 9.173 -12.359 2.106 636 HZ2 LYS 80 HZ2 LYS 80 7.545 -12.637 2.479 637 HZ3 LYS 80 HZ3 LYS 80 8.379 -11.374 3.228 638 H VAL 81 H VAL 81 10.158 -11.383 -4.579 639 HA VAL 81 HA VAL 81 9.154 -12.898 -6.788 640 HB VAL 81 HB VAL 81 10.406 -10.113 -6.605 641 HG11 VAL 81 HG11 VAL 81 10.707 -10.941 -8.910 642 HG12 VAL 81 HG12 VAL 81 9.498 -9.653 -8.871 643 HG13 VAL 81 HG13 VAL 81 8.987 -11.342 -9.011 644 HG21 VAL 81 HG21 VAL 81 8.281 -10.322 -5.397 645 HG22 VAL 81 HG22 VAL 81 7.502 -11.023 -6.818 646 HG23 VAL 81 HG23 VAL 81 8.038 -9.343 -6.845 647 H GLU 82 H GLU 82 12.355 -11.706 -5.867 648 HA GLU 82 HA GLU 82 13.736 -12.377 -8.257 649 HB2 GLU 82 HB2 GLU 82 14.472 -10.603 -6.708 650 HB3 GLU 82 HB3 GLU 82 14.757 -11.802 -5.454 651 HG2 GLU 82 HG2 GLU 82 16.537 -12.811 -6.920 652 HG3 GLU 82 HG3 GLU 82 16.288 -11.473 -8.049 653 H GLY 83 H GLY 83 13.225 -14.039 -5.174 654 HA2 GLY 83 HA2 GLY 83 13.363 -16.445 -4.992 655 HA3 GLY 83 HA3 GLY 83 14.697 -16.426 -6.145 656 H SER 84 H SER 84 16.068 -17.525 -4.704 657 HA SER 84 HA SER 84 17.584 -17.876 -3.079 658 HB2 SER 84 HB2 SER 84 18.573 -15.694 -3.667 659 HB3 SER 84 HB3 SER 84 17.437 -14.860 -2.610 660 HG SER 84 HG SER 84 19.358 -15.107 -1.523 661 H GLY 85 H GLY 85 16.561 -19.170 -1.678 662 HA2 GLY 85 HA2 GLY 85 15.574 -19.727 0.404 663 HA3 GLY 85 HA3 GLY 85 14.979 -18.078 0.568 664 H ASP 86 H ASP 86 14.434 -19.030 -2.557 665 HA ASP 86 HA ASP 86 11.603 -19.202 -2.299 666 HB2 ASP 86 HB2 ASP 86 11.630 -19.538 -4.764 667 HB3 ASP 86 HB3 ASP 86 12.664 -18.192 -4.288 668 H LYS 87 H LYS 87 10.260 -20.933 -2.671 669 HA LYS 87 HA LYS 87 11.071 -23.620 -3.160 670 HB2 LYS 87 HB2 LYS 87 10.260 -24.449 -0.824 671 HB3 LYS 87 HB3 LYS 87 11.878 -23.771 -0.948 672 HG2 LYS 87 HG2 LYS 87 11.014 -21.605 -0.057 673 HG3 LYS 87 HG3 LYS 87 9.422 -22.347 0.145 674 HD2 LYS 87 HD2 LYS 87 10.324 -23.934 1.778 675 HD3 LYS 87 HD3 LYS 87 11.966 -23.349 1.488 676 HE2 LYS 87 HE2 LYS 87 9.705 -21.711 2.692 677 HE3 LYS 87 HE3 LYS 87 11.031 -22.451 3.592 678 HZ1 LYS 87 HZ1 LYS 87 11.306 -20.336 1.512 679 HZ2 LYS 87 HZ2 LYS 87 12.586 -21.069 2.338 680 HZ3 LYS 87 HZ3 LYS 87 11.470 -20.126 3.184 681 H GLY 88 H GLY 88 9.401 -24.412 -4.274 682 HA2 GLY 88 HA2 GLY 88 6.882 -22.924 -4.318 683 HA3 GLY 88 HA3 GLY 88 7.447 -24.094 -5.499 684 H LYS 89 H LYS 89 6.790 -24.287 -1.950 685 HA LYS 89 HA LYS 89 4.770 -26.369 -2.511 686 HB2 LYS 89 HB2 LYS 89 6.239 -25.708 0.064 687 HB3 LYS 89 HB3 LYS 89 4.758 -26.654 0.064 688 HG2 LYS 89 HG2 LYS 89 6.396 -28.311 0.076 689 HG3 LYS 89 HG3 LYS 89 5.973 -28.213 -1.626 690 HD2 LYS 89 HD2 LYS 89 8.294 -28.255 -1.770 691 HD3 LYS 89 HD3 LYS 89 8.013 -26.513 -1.748 692 HE2 LYS 89 HE2 LYS 89 8.796 -28.228 0.630 693 HE3 LYS 89 HE3 LYS 89 9.866 -27.149 -0.257 694 HZ1 LYS 89 HZ1 LYS 89 9.180 -26.094 1.747 695 HZ2 LYS 89 HZ2 LYS 89 7.544 -26.386 1.432 696 HZ3 LYS 89 HZ3 LYS 89 8.405 -25.293 0.471 697 H ILE 90 H ILE 90 2.923 -25.499 -2.902 698 HA ILE 90 HA ILE 90 2.064 -22.919 -1.826 699 HB ILE 90 HB ILE 90 0.152 -23.207 -3.446 700 HG12 ILE 90 HG12 ILE 90 1.598 -25.814 -4.161 701 HG13 ILE 90 HG13 ILE 90 -0.030 -25.660 -3.513 702 HG21 ILE 90 HG21 ILE 90 2.919 -23.511 -4.676 703 HG22 ILE 90 HG22 ILE 90 2.189 -22.005 -4.116 704 HG23 ILE 90 HG23 ILE 90 1.490 -22.863 -5.488 705 HD11 ILE 90 HD11 ILE 90 -0.084 -26.202 -5.859 706 HD12 ILE 90 HD12 ILE 90 0.890 -24.787 -6.253 707 HD13 ILE 90 HD13 ILE 90 -0.741 -24.588 -5.606 708 H PHE 91 H PHE 91 2.221 -25.234 -0.025 709 HA PHE 91 HA PHE 91 -0.177 -26.496 0.581 710 HB2 PHE 91 HB2 PHE 91 1.991 -27.138 1.595 711 HB3 PHE 91 HB3 PHE 91 2.040 -25.624 2.492 712 HD1 PHE 91 HD1 PHE 91 0.028 -28.753 2.064 713 HD2 PHE 91 HD2 PHE 91 1.011 -25.493 4.673 714 HE1 PHE 91 HE1 PHE 91 -1.252 -29.798 3.871 715 HE2 PHE 91 HE2 PHE 91 -0.274 -26.564 6.476 716 HZ PHE 91 HZ PHE 91 -1.408 -28.716 6.079 717 H GLN 92 H GLN 92 1.022 -23.310 1.648 718 HA GLN 92 HA GLN 92 -1.326 -22.679 3.216 719 HB2 GLN 92 HB2 GLN 92 1.062 -21.006 2.345 720 HB3 GLN 92 HB3 GLN 92 -0.272 -20.350 3.296 721 HG2 GLN 92 HG2 GLN 92 0.225 -21.982 5.102 722 HG3 GLN 92 HG3 GLN 92 1.570 -22.617 4.141 723 HE21 GLN 92 HE21 GLN 92 0.407 -19.853 5.975 724 HE22 GLN 92 HE22 GLN 92 1.940 -19.083 6.159 725 H LYS 93 H LYS 93 -3.046 -22.897 1.763 726 HA LYS 93 HA LYS 93 -3.379 -20.538 -0.010 727 HB2 LYS 93 HB2 LYS 93 -3.879 -22.676 -1.165 728 HB3 LYS 93 HB3 LYS 93 -5.052 -23.093 0.078 729 HG2 LYS 93 HG2 LYS 93 -6.410 -21.082 -0.576 730 HG3 LYS 93 HG3 LYS 93 -5.252 -20.755 -1.869 731 HD2 LYS 93 HD2 LYS 93 -6.939 -23.285 -1.621 732 HD3 LYS 93 HD3 LYS 93 -7.319 -21.911 -2.664 733 HE2 LYS 93 HE2 LYS 93 -5.224 -22.285 -3.922 734 HE3 LYS 93 HE3 LYS 93 -4.835 -23.651 -2.874 735 HZ1 LYS 93 HZ1 LYS 93 -6.903 -24.711 -3.639 736 HZ2 LYS 93 HZ2 LYS 93 -5.785 -24.463 -4.880 737 HZ3 LYS 93 HZ3 LYS 93 -7.131 -23.449 -4.742 738 H GLU 94 H GLU 94 -3.645 -19.129 1.730 739 HA GLU 94 HA GLU 94 -5.946 -19.483 3.511 740 HB2 GLU 94 HB2 GLU 94 -3.711 -18.427 4.239 741 HB3 GLU 94 HB3 GLU 94 -4.160 -17.025 3.275 742 HG2 GLU 94 HG2 GLU 94 -6.135 -16.655 4.652 743 HG3 GLU 94 HG3 GLU 94 -5.815 -18.126 5.565 744 H GLY 95 H GLY 95 -7.521 -19.587 1.917 745 HA2 GLY 95 HA2 GLY 95 -9.040 -17.369 1.323 746 HA3 GLY 95 HA3 GLY 95 -7.989 -17.580 -0.076 747 H GLU 96 H GLU 96 -10.618 -18.954 1.775 748 HA GLU 96 HA GLU 96 -11.086 -21.307 0.248 749 HB2 GLU 96 HB2 GLU 96 -13.055 -19.585 1.841 750 HB3 GLU 96 HB3 GLU 96 -13.391 -21.211 1.239 751 HG2 GLU 96 HG2 GLU 96 -11.567 -22.104 2.672 752 HG3 GLU 96 HG3 GLU 96 -11.263 -20.477 3.283 753 H SER 97 H SER 97 -12.488 -21.660 -1.485 754 HA SER 97 HA SER 97 -12.734 -19.498 -3.383 755 HB2 SER 97 HB2 SER 97 -13.685 -22.388 -3.596 756 HB3 SER 97 HB3 SER 97 -13.543 -21.238 -4.925 757 HG SER 97 HG SER 97 -11.681 -22.253 -5.057 758 H ILE 98 H ILE 98 -14.141 -18.210 -2.019 759 HA ILE 98 HA ILE 98 -17.000 -18.837 -2.357 760 HB ILE 98 HB ILE 98 -17.385 -17.299 -0.313 761 HG12 ILE 98 HG12 ILE 98 -15.332 -17.625 1.415 762 HG13 ILE 98 HG13 ILE 98 -14.366 -17.653 -0.053 763 HG21 ILE 98 HG21 ILE 98 -17.150 -19.172 1.273 764 HG22 ILE 98 HG22 ILE 98 -16.091 -20.010 0.137 765 HG23 ILE 98 HG23 ILE 98 -17.779 -19.717 -0.284 766 HD11 ILE 98 HD11 ILE 98 -14.427 -15.464 1.040 767 HD12 ILE 98 HD12 ILE 98 -16.176 -15.393 0.807 768 HD13 ILE 98 HD13 ILE 98 -15.095 -15.406 -0.588 769 H LEU 99 H LEU 99 -17.903 -17.630 -3.773 770 HA LEU 99 HA LEU 99 -16.859 -14.950 -4.448 771 HB2 LEU 99 HB2 LEU 99 -18.275 -16.976 -6.242 772 HB3 LEU 99 HB3 LEU 99 -17.829 -15.350 -6.719 773 HG LEU 99 HG LEU 99 -16.206 -16.743 -7.712 774 HD11 LEU 99 HD11 LEU 99 -14.078 -16.126 -6.724 775 HD12 LEU 99 HD12 LEU 99 -14.879 -15.670 -5.218 776 HD13 LEU 99 HD13 LEU 99 -15.208 -14.776 -6.707 777 HD21 LEU 99 HD21 LEU 99 -14.908 -18.496 -6.610 778 HD22 LEU 99 HD22 LEU 99 -16.636 -18.823 -6.501 779 HD23 LEU 99 HD23 LEU 99 -15.767 -18.206 -5.092 780 H GLU 100 H GLU 100 -18.454 -13.386 -5.120 781 HA GLU 100 HA GLU 100 -20.710 -13.311 -3.358 782 HB2 GLU 100 HB2 GLU 100 -19.390 -11.278 -3.981 783 HB3 GLU 100 HB3 GLU 100 -20.003 -11.388 -5.627 784 HG2 GLU 100 HG2 GLU 100 -22.322 -11.059 -4.745 785 HG3 GLU 100 HG3 GLU 100 -21.654 -10.870 -3.122 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -13.242 -16.860 7.608 2 H2 GLY 1 H2 GLY 1 -12.728 -17.540 9.070 3 H3 GLY 1 H3 GLY 1 -11.594 -16.980 7.953 4 HA2 GLY 1 HA2 GLY 1 -13.540 -15.295 9.437 5 HA3 GLY 1 HA3 GLY 1 -11.824 -15.441 9.790 6 H GLY 2 H GLY 2 -11.587 -13.167 9.499 7 HA2 GLY 2 HA2 GLY 2 -12.241 -11.754 7.101 8 HA3 GLY 2 HA3 GLY 2 -11.170 -11.216 8.383 9 H SER 3 H SER 3 -11.372 -13.137 5.454 10 HA SER 3 HA SER 3 -8.613 -13.841 5.252 11 HB2 SER 3 HB2 SER 3 -10.751 -13.832 3.074 12 HB3 SER 3 HB3 SER 3 -9.231 -14.733 3.046 13 HG SER 3 HG SER 3 -11.529 -15.157 4.647 14 HA PRO 4 HA PRO 4 -6.658 -10.143 3.623 15 HB2 PRO 4 HB2 PRO 4 -5.127 -11.423 1.576 16 HB3 PRO 4 HB3 PRO 4 -4.633 -11.126 3.253 17 HG2 PRO 4 HG2 PRO 4 -5.817 -13.599 2.051 18 HG3 PRO 4 HG3 PRO 4 -4.533 -13.439 3.273 19 HD2 PRO 4 HD2 PRO 4 -6.961 -14.147 4.034 20 HD3 PRO 4 HD3 PRO 4 -6.061 -12.952 5.003 21 H ASP 5 H ASP 5 -7.873 -12.373 1.135 22 HA ASP 5 HA ASP 5 -8.095 -10.620 -1.023 23 HB2 ASP 5 HB2 ASP 5 -8.333 -13.044 -1.279 24 HB3 ASP 5 HB3 ASP 5 -9.788 -13.046 -0.288 25 H GLU 6 H GLU 6 -10.427 -11.413 1.504 26 HA GLU 6 HA GLU 6 -12.569 -9.765 0.593 27 HB2 GLU 6 HB2 GLU 6 -12.410 -11.860 2.307 28 HB3 GLU 6 HB3 GLU 6 -12.307 -10.578 3.499 29 HG2 GLU 6 HG2 GLU 6 -14.567 -10.986 1.520 30 HG3 GLU 6 HG3 GLU 6 -14.597 -11.465 3.214 31 H ASN 7 H ASN 7 -9.820 -9.340 2.757 32 HA ASN 7 HA ASN 7 -10.552 -6.858 3.946 33 HB2 ASN 7 HB2 ASN 7 -7.807 -8.145 3.622 34 HB3 ASN 7 HB3 ASN 7 -8.136 -6.742 4.636 35 HD21 ASN 7 HD21 ASN 7 -7.078 -9.324 5.414 36 HD22 ASN 7 HD22 ASN 7 -8.174 -9.979 6.581 37 H ILE 8 H ILE 8 -8.835 -7.711 0.974 38 HA ILE 8 HA ILE 8 -7.643 -5.312 0.243 39 HB ILE 8 HB ILE 8 -8.979 -7.450 -1.473 40 HG12 ILE 8 HG12 ILE 8 -6.013 -6.852 -1.099 41 HG13 ILE 8 HG13 ILE 8 -6.897 -8.035 -0.154 42 HG21 ILE 8 HG21 ILE 8 -9.056 -5.424 -2.823 43 HG22 ILE 8 HG22 ILE 8 -7.830 -6.510 -3.472 44 HG23 ILE 8 HG23 ILE 8 -7.347 -5.109 -2.513 45 HD11 ILE 8 HD11 ILE 8 -7.344 -9.336 -2.171 46 HD12 ILE 8 HD12 ILE 8 -5.618 -9.095 -1.910 47 HD13 ILE 8 HD13 ILE 8 -6.460 -8.148 -3.136 48 H ALA 9 H ALA 9 -10.990 -6.398 -0.413 49 HA ALA 9 HA ALA 9 -11.898 -4.042 -1.689 50 HB1 ALA 9 HB1 ALA 9 -14.151 -4.989 -1.407 51 HB2 ALA 9 HB2 ALA 9 -13.516 -6.185 -0.272 52 HB3 ALA 9 HB3 ALA 9 -13.006 -6.215 -1.962 53 H LYS 10 H LYS 10 -11.819 -5.015 1.719 54 HA LYS 10 HA LYS 10 -13.467 -2.973 2.816 55 HB2 LYS 10 HB2 LYS 10 -12.839 -5.030 4.077 56 HB3 LYS 10 HB3 LYS 10 -11.162 -4.504 4.107 57 HG2 LYS 10 HG2 LYS 10 -12.103 -4.056 6.271 58 HG3 LYS 10 HG3 LYS 10 -11.869 -2.503 5.465 59 HD2 LYS 10 HD2 LYS 10 -14.313 -2.551 4.827 60 HD3 LYS 10 HD3 LYS 10 -14.495 -4.009 5.805 61 HE2 LYS 10 HE2 LYS 10 -15.230 -2.101 7.105 62 HE3 LYS 10 HE3 LYS 10 -13.714 -2.682 7.801 63 HZ1 LYS 10 HZ1 LYS 10 -13.780 -0.254 7.591 64 HZ2 LYS 10 HZ2 LYS 10 -13.961 -0.390 5.916 65 HZ3 LYS 10 HZ3 LYS 10 -12.535 -0.916 6.656 66 H PHE 11 H PHE 11 -10.009 -3.207 2.149 67 HA PHE 11 HA PHE 11 -9.338 -0.624 3.215 68 HB2 PHE 11 HB2 PHE 11 -7.705 -2.573 1.539 69 HB3 PHE 11 HB3 PHE 11 -7.070 -1.067 2.196 70 HD1 PHE 11 HD2 PHE 11 -8.036 -0.944 4.915 71 HD2 PHE 11 HD1 PHE 11 -6.711 -4.373 2.711 72 HE1 PHE 11 HE2 PHE 11 -7.425 -2.071 7.011 73 HE2 PHE 11 HE1 PHE 11 -6.101 -5.484 4.820 74 HZ PHE 11 HZ PHE 11 -6.458 -4.337 6.967 75 H GLU 12 H GLU 12 -10.314 -1.871 0.084 76 HA GLU 12 HA GLU 12 -9.617 0.455 -1.447 77 HB2 GLU 12 HB2 GLU 12 -11.590 -1.801 -2.001 78 HB3 GLU 12 HB3 GLU 12 -11.253 -0.502 -3.147 79 HG2 GLU 12 HG2 GLU 12 -8.874 -1.173 -3.209 80 HG3 GLU 12 HG3 GLU 12 -9.215 -2.489 -2.090 81 H LYS 13 H LYS 13 -12.418 -0.511 0.450 82 HA LYS 13 HA LYS 13 -14.059 1.740 -0.281 83 HB2 LYS 13 HB2 LYS 13 -14.431 -0.696 1.221 84 HB3 LYS 13 HB3 LYS 13 -14.853 0.625 2.292 85 HG2 LYS 13 HG2 LYS 13 -16.838 -0.178 1.143 86 HG3 LYS 13 HG3 LYS 13 -16.472 1.471 0.631 87 HD2 LYS 13 HD2 LYS 13 -17.142 0.130 -1.301 88 HD3 LYS 13 HD3 LYS 13 -15.443 0.579 -1.462 89 HE2 LYS 13 HE2 LYS 13 -14.788 -1.671 -0.680 90 HE3 LYS 13 HE3 LYS 13 -16.488 -2.106 -0.498 91 HZ1 LYS 13 HZ1 LYS 13 -15.143 -1.391 -3.045 92 HZ2 LYS 13 HZ2 LYS 13 -16.777 -1.781 -2.873 93 HZ3 LYS 13 HZ3 LYS 13 -15.596 -2.943 -2.557 94 H ALA 14 H ALA 14 -11.806 0.957 2.333 95 HA ALA 14 HA ALA 14 -12.038 3.389 3.803 96 HB1 ALA 14 HB1 ALA 14 -9.900 2.703 4.847 97 HB2 ALA 14 HB2 ALA 14 -9.712 1.436 3.632 98 HB3 ALA 14 HB3 ALA 14 -11.044 1.359 4.788 99 H TYR 15 H TYR 15 -10.279 2.390 0.943 100 HA TYR 15 HA TYR 15 -8.444 4.559 0.759 101 HB2 TYR 15 HB2 TYR 15 -8.010 2.469 -0.464 102 HB3 TYR 15 HB3 TYR 15 -9.498 2.655 -1.386 103 HD1 TYR 15 HD2 TYR 15 -6.288 4.452 -0.671 104 HD2 TYR 15 HD1 TYR 15 -9.356 3.669 -3.546 105 HE1 TYR 15 HE2 TYR 15 -5.063 5.762 -2.324 106 HE2 TYR 15 HE1 TYR 15 -8.119 5.003 -5.211 107 HH TYR 15 HH TYR 15 -4.880 6.047 -4.693 108 H LYS 16 H LYS 16 -11.642 3.894 -0.632 109 HA LYS 16 HA LYS 16 -11.762 6.323 -2.143 110 HB2 LYS 16 HB2 LYS 16 -13.892 4.275 -1.427 111 HB3 LYS 16 HB3 LYS 16 -14.217 5.686 -2.430 112 HG2 LYS 16 HG2 LYS 16 -12.242 3.466 -3.065 113 HG3 LYS 16 HG3 LYS 16 -13.824 3.700 -3.816 114 HD2 LYS 16 HD2 LYS 16 -13.065 5.862 -4.761 115 HD3 LYS 16 HD3 LYS 16 -11.496 5.670 -3.978 116 HE2 LYS 16 HE2 LYS 16 -11.087 3.649 -5.361 117 HE3 LYS 16 HE3 LYS 16 -12.639 3.904 -6.167 118 HZ1 LYS 16 HZ1 LYS 16 -10.827 4.807 -7.478 119 HZ2 LYS 16 HZ2 LYS 16 -10.331 5.782 -6.190 120 HZ3 LYS 16 HZ3 LYS 16 -11.820 6.065 -6.934 121 H LYS 17 H LYS 17 -12.822 5.364 1.079 122 HA LYS 17 HA LYS 17 -14.245 7.767 1.681 123 HB2 LYS 17 HB2 LYS 17 -14.494 5.605 2.953 124 HB3 LYS 17 HB3 LYS 17 -12.893 5.862 3.641 125 HG2 LYS 17 HG2 LYS 17 -13.633 7.822 4.838 126 HG3 LYS 17 HG3 LYS 17 -15.179 7.835 3.982 127 HD2 LYS 17 HD2 LYS 17 -15.779 5.681 5.073 128 HD3 LYS 17 HD3 LYS 17 -14.246 5.708 5.951 129 HE2 LYS 17 HE2 LYS 17 -16.133 6.499 7.348 130 HE3 LYS 17 HE3 LYS 17 -14.922 7.760 7.109 131 HZ1 LYS 17 HZ1 LYS 17 -16.311 8.784 5.456 132 HZ2 LYS 17 HZ2 LYS 17 -17.216 8.558 6.860 133 HZ3 LYS 17 HZ3 LYS 17 -17.436 7.525 5.542 134 H ALA 18 H ALA 18 -10.868 6.804 1.804 135 HA ALA 18 HA ALA 18 -9.831 9.180 3.067 136 HB1 ALA 18 HB1 ALA 18 -7.658 8.318 2.305 137 HB2 ALA 18 HB2 ALA 18 -8.475 7.107 1.311 138 HB3 ALA 18 HB3 ALA 18 -8.616 7.044 3.068 139 H GLU 19 H GLU 19 -10.621 8.173 -0.222 140 HA GLU 19 HA GLU 19 -9.046 10.126 -1.635 141 HB2 GLU 19 HB2 GLU 19 -9.543 7.872 -2.577 142 HB3 GLU 19 HB3 GLU 19 -11.251 8.292 -2.671 143 HG2 GLU 19 HG2 GLU 19 -10.726 10.070 -4.311 144 HG3 GLU 19 HG3 GLU 19 -9.015 9.657 -4.209 145 H GLU 20 H GLU 20 -12.443 9.881 -0.636 146 HA GLU 20 HA GLU 20 -13.405 12.154 -2.095 147 HB2 GLU 20 HB2 GLU 20 -15.373 12.048 -0.641 148 HB3 GLU 20 HB3 GLU 20 -14.925 10.423 -1.155 149 HG2 GLU 20 HG2 GLU 20 -13.863 9.999 1.016 150 HG3 GLU 20 HG3 GLU 20 -14.239 11.641 1.537 151 H LEU 21 H LEU 21 -11.869 11.698 1.022 152 HA LEU 21 HA LEU 21 -12.043 14.432 1.921 153 HB2 LEU 21 HB2 LEU 21 -10.262 12.116 2.770 154 HB3 LEU 21 HB3 LEU 21 -10.378 13.642 3.632 155 HG LEU 21 HG LEU 21 -12.694 11.697 3.276 156 HD11 LEU 21 HD11 LEU 21 -10.906 12.078 5.698 157 HD12 LEU 21 HD12 LEU 21 -10.931 10.678 4.624 158 HD13 LEU 21 HD13 LEU 21 -12.343 11.047 5.612 159 HD21 LEU 21 HD21 LEU 21 -13.418 14.023 3.599 160 HD22 LEU 21 HD22 LEU 21 -12.448 14.139 5.072 161 HD23 LEU 21 HD23 LEU 21 -13.819 13.027 4.995 162 H ASN 22 H ASN 22 -10.121 12.697 -0.304 163 HA ASN 22 HA ASN 22 -8.358 13.104 -1.626 164 HB2 ASN 22 HB2 ASN 22 -9.707 15.188 -2.088 165 HB3 ASN 22 HB3 ASN 22 -8.766 16.032 -0.868 166 HD21 ASN 22 HD21 ASN 22 -8.644 14.499 -4.034 167 HD22 ASN 22 HD22 ASN 22 -7.226 15.320 -4.578 168 H GLN 23 H GLN 23 -7.952 12.448 1.153 169 HA GLN 23 HA GLN 23 -5.556 13.953 2.005 170 HB2 GLN 23 HB2 GLN 23 -7.333 12.022 3.559 171 HB3 GLN 23 HB3 GLN 23 -5.891 12.799 4.214 172 HG2 GLN 23 HG2 GLN 23 -6.965 15.020 3.837 173 HG3 GLN 23 HG3 GLN 23 -8.428 14.194 3.300 174 HE21 GLN 23 HE21 GLN 23 -9.692 15.054 4.969 175 HE22 GLN 23 HE22 GLN 23 -9.507 14.576 6.618 176 H GLY 24 H GLY 24 -4.046 13.083 0.680 177 HA2 GLY 24 HA2 GLY 24 -3.632 10.468 -0.102 178 HA3 GLY 24 HA3 GLY 24 -2.384 11.692 0.010 179 H GLU 25 H GLU 25 -2.628 11.992 2.921 180 HA GLU 25 HA GLU 25 -0.767 10.078 3.788 181 HB2 GLU 25 HB2 GLU 25 -1.173 10.983 6.066 182 HB3 GLU 25 HB3 GLU 25 -0.897 12.239 4.866 183 HG2 GLU 25 HG2 GLU 25 -3.237 12.821 4.819 184 HG3 GLU 25 HG3 GLU 25 -3.659 11.433 5.827 185 H LEU 26 H LEU 26 -4.283 10.103 3.954 186 HA LEU 26 HA LEU 26 -4.557 7.625 5.434 187 HB2 LEU 26 HB2 LEU 26 -6.531 9.256 3.796 188 HB3 LEU 26 HB3 LEU 26 -6.974 7.826 4.710 189 HG LEU 26 HG LEU 26 -5.873 10.372 5.962 190 HD11 LEU 26 HD11 LEU 26 -8.063 10.780 4.915 191 HD12 LEU 26 HD12 LEU 26 -8.169 10.840 6.672 192 HD13 LEU 26 HD13 LEU 26 -8.752 9.416 5.803 193 HD21 LEU 26 HD21 LEU 26 -6.629 9.370 8.070 194 HD22 LEU 26 HD22 LEU 26 -5.441 8.341 7.275 195 HD23 LEU 26 HD23 LEU 26 -7.157 7.922 7.202 196 H MET 27 H MET 27 -4.667 8.668 2.052 197 HA MET 27 HA MET 27 -5.825 6.366 0.887 198 HB2 MET 27 HB2 MET 27 -4.092 8.551 -0.350 199 HB3 MET 27 HB3 MET 27 -5.014 7.374 -1.280 200 HG2 MET 27 HG2 MET 27 -7.093 8.288 -0.566 201 HG3 MET 27 HG3 MET 27 -6.327 9.235 0.705 202 HE1 MET 27 HE1 MET 27 -6.222 10.245 -3.782 203 HE2 MET 27 HE2 MET 27 -7.210 8.973 -3.065 204 HE3 MET 27 HE3 MET 27 -5.456 8.785 -3.158 205 H GLY 28 H GLY 28 -2.437 7.340 1.259 206 HA2 GLY 28 HA2 GLY 28 -1.200 5.224 -0.133 207 HA3 GLY 28 HA3 GLY 28 -0.446 6.253 1.076 208 H ARG 29 H ARG 29 -2.299 5.555 3.229 209 HA ARG 29 HA ARG 29 -1.091 3.290 4.396 210 HB2 ARG 29 HB2 ARG 29 -3.889 4.358 5.029 211 HB3 ARG 29 HB3 ARG 29 -2.931 3.301 6.060 212 HG2 ARG 29 HG2 ARG 29 -1.347 5.086 6.488 213 HG3 ARG 29 HG3 ARG 29 -2.179 6.143 5.343 214 HD2 ARG 29 HD2 ARG 29 -4.235 5.970 6.788 215 HD3 ARG 29 HD3 ARG 29 -3.276 5.066 7.963 216 HE ARG 29 HE ARG 29 -2.069 7.578 7.342 217 HH11 ARG 29 HH11 ARG 29 -4.688 6.149 9.211 218 HH12 ARG 29 HH12 ARG 29 -4.725 7.426 10.381 219 HH21 ARG 29 HH21 ARG 29 -2.165 9.297 8.898 220 HH22 ARG 29 HH22 ARG 29 -3.301 9.204 10.203 221 H ALA 30 H ALA 30 -4.216 3.733 2.779 222 HA ALA 30 HA ALA 30 -5.297 1.169 3.087 223 HB1 ALA 30 HB1 ALA 30 -6.872 1.821 1.310 224 HB2 ALA 30 HB2 ALA 30 -5.844 3.195 0.882 225 HB3 ALA 30 HB3 ALA 30 -6.633 3.137 2.463 226 H LEU 31 H LEU 31 -3.408 2.559 0.396 227 HA LEU 31 HA LEU 31 -3.460 0.292 -1.318 228 HB2 LEU 31 HB2 LEU 31 -1.469 2.592 -1.148 229 HB3 LEU 31 HB3 LEU 31 -1.548 1.444 -2.481 230 HG LEU 31 HG LEU 31 -3.773 3.370 -1.699 231 HD11 LEU 31 HD11 LEU 31 -3.219 4.625 -3.717 232 HD12 LEU 31 HD12 LEU 31 -1.855 3.549 -4.036 233 HD13 LEU 31 HD13 LEU 31 -1.855 4.578 -2.601 234 HD21 LEU 31 HD21 LEU 31 -4.851 2.690 -3.800 235 HD22 LEU 31 HD22 LEU 31 -4.659 1.326 -2.705 236 HD23 LEU 31 HD23 LEU 31 -3.573 1.499 -4.085 237 H TYR 32 H TYR 32 -1.193 1.379 1.180 238 HA TYR 32 HA TYR 32 0.804 -0.597 0.865 239 HB2 TYR 32 HB2 TYR 32 1.077 1.542 2.164 240 HB3 TYR 32 HB3 TYR 32 0.010 0.903 3.404 241 HD1 TYR 32 HD2 TYR 32 3.344 0.510 1.805 242 HD2 TYR 32 HD1 TYR 32 0.878 -0.630 5.107 243 HE1 TYR 32 HE2 TYR 32 5.294 -0.444 2.943 244 HE2 TYR 32 HE1 TYR 32 2.843 -1.577 6.242 245 HH TYR 32 HH TYR 32 5.086 -2.444 5.661 246 H ASN 33 H ASN 33 -2.212 -0.491 2.736 247 HA ASN 33 HA ASN 33 -1.902 -2.879 4.221 248 HB2 ASN 33 HB2 ASN 33 -4.322 -1.217 3.463 249 HB3 ASN 33 HB3 ASN 33 -4.539 -2.771 4.251 250 HD21 ASN 33 HD21 ASN 33 -4.064 0.515 4.770 251 HD22 ASN 33 HD22 ASN 33 -3.691 0.436 6.453 252 H ILE 34 H ILE 34 -3.586 -2.183 1.152 253 HA ILE 34 HA ILE 34 -4.506 -4.781 0.568 254 HB ILE 34 HB ILE 34 -3.728 -2.581 -1.406 255 HG12 ILE 34 HG12 ILE 34 -6.526 -3.229 -0.374 256 HG13 ILE 34 HG13 ILE 34 -5.508 -1.976 0.322 257 HG21 ILE 34 HG21 ILE 34 -5.472 -5.033 -1.859 258 HG22 ILE 34 HG22 ILE 34 -3.880 -4.736 -2.562 259 HG23 ILE 34 HG23 ILE 34 -5.244 -3.716 -3.015 260 HD11 ILE 34 HD11 ILE 34 -7.134 -1.035 -1.203 261 HD12 ILE 34 HD12 ILE 34 -6.523 -2.036 -2.520 262 HD13 ILE 34 HD13 ILE 34 -5.497 -0.783 -1.813 263 H GLY 35 H GLY 35 -1.432 -3.152 -0.115 264 HA2 GLY 35 HA2 GLY 35 -0.166 -5.059 -1.719 265 HA3 GLY 35 HA3 GLY 35 0.641 -3.926 -0.646 266 H LEU 36 H LEU 36 -0.282 -4.751 1.829 267 HA LEU 36 HA LEU 36 1.383 -6.963 2.448 268 HB2 LEU 36 HB2 LEU 36 -0.789 -5.638 4.132 269 HB3 LEU 36 HB3 LEU 36 0.388 -6.790 4.750 270 HG LEU 36 HG LEU 36 1.022 -4.036 3.627 271 HD11 LEU 36 HD11 LEU 36 1.108 -5.003 6.493 272 HD12 LEU 36 HD12 LEU 36 -0.066 -3.887 5.791 273 HD13 LEU 36 HD13 LEU 36 1.625 -3.415 5.905 274 HD21 LEU 36 HD21 LEU 36 2.836 -5.587 3.136 275 HD22 LEU 36 HD22 LEU 36 2.915 -6.077 4.832 276 HD23 LEU 36 HD23 LEU 36 3.329 -4.424 4.361 277 H GLU 37 H GLU 37 -2.089 -6.645 1.832 278 HA GLU 37 HA GLU 37 -2.871 -9.256 2.645 279 HB2 GLU 37 HB2 GLU 37 -4.262 -7.528 0.549 280 HB3 GLU 37 HB3 GLU 37 -4.960 -8.889 1.422 281 HG2 GLU 37 HG2 GLU 37 -4.323 -6.123 2.434 282 HG3 GLU 37 HG3 GLU 37 -5.862 -6.974 2.449 283 H LYS 38 H LYS 38 -1.965 -7.903 -0.533 284 HA LYS 38 HA LYS 38 -2.277 -10.206 -2.130 285 HB2 LYS 38 HB2 LYS 38 -0.269 -7.918 -2.405 286 HB3 LYS 38 HB3 LYS 38 -0.645 -9.075 -3.677 287 HG2 LYS 38 HG2 LYS 38 -2.623 -7.122 -2.466 288 HG3 LYS 38 HG3 LYS 38 -1.736 -6.864 -3.972 289 HD2 LYS 38 HD2 LYS 38 -2.827 -8.970 -4.871 290 HD3 LYS 38 HD3 LYS 38 -3.819 -9.010 -3.407 291 HE2 LYS 38 HE2 LYS 38 -4.833 -6.879 -3.976 292 HE3 LYS 38 HE3 LYS 38 -3.737 -6.676 -5.348 293 HZ1 LYS 38 HZ1 LYS 38 -4.734 -8.576 -6.413 294 HZ2 LYS 38 HZ2 LYS 38 -5.936 -7.449 -6.023 295 HZ3 LYS 38 HZ3 LYS 38 -5.750 -8.843 -5.085 296 H ASN 39 H ASN 39 0.452 -8.992 -0.228 297 HA ASN 39 HA ASN 39 2.463 -10.798 -1.062 298 HB2 ASN 39 HB2 ASN 39 2.722 -8.529 0.146 299 HB3 ASN 39 HB3 ASN 39 2.357 -9.380 1.637 300 HD21 ASN 39 HD21 ASN 39 4.734 -7.927 1.056 301 HD22 ASN 39 HD22 ASN 39 6.056 -9.032 1.132 302 H LYS 40 H LYS 40 0.217 -10.849 1.729 303 HA LYS 40 HA LYS 40 1.292 -13.294 2.836 304 HB2 LYS 40 HB2 LYS 40 -0.408 -13.129 4.539 305 HB3 LYS 40 HB3 LYS 40 0.201 -11.507 4.245 306 HG2 LYS 40 HG2 LYS 40 -1.797 -11.025 2.865 307 HG3 LYS 40 HG3 LYS 40 -2.403 -12.644 3.195 308 HD2 LYS 40 HD2 LYS 40 -3.566 -11.142 4.656 309 HD3 LYS 40 HD3 LYS 40 -2.433 -12.047 5.659 310 HE2 LYS 40 HE2 LYS 40 -0.994 -10.160 5.888 311 HE3 LYS 40 HE3 LYS 40 -1.782 -9.300 4.563 312 HZ1 LYS 40 HZ1 LYS 40 -2.973 -9.902 7.216 313 HZ2 LYS 40 HZ2 LYS 40 -3.807 -9.191 5.928 314 HZ3 LYS 40 HZ3 LYS 40 -2.504 -8.384 6.636 315 H MET 41 H MET 41 -1.207 -12.527 0.493 316 HA MET 41 HA MET 41 -2.364 -15.170 0.326 317 HB2 MET 41 HB2 MET 41 -2.390 -12.805 -1.596 318 HB3 MET 41 HB3 MET 41 -3.212 -14.322 -1.946 319 HG2 MET 41 HG2 MET 41 -4.684 -14.028 -0.055 320 HG3 MET 41 HG3 MET 41 -3.793 -12.605 0.474 321 HE1 MET 41 HE1 MET 41 -4.793 -13.526 -3.245 322 HE2 MET 41 HE2 MET 41 -6.366 -12.737 -3.351 323 HE3 MET 41 HE3 MET 41 -6.143 -14.114 -2.272 324 H GLY 42 H GLY 42 0.587 -13.807 -0.665 325 HA2 GLY 42 HA2 GLY 42 2.401 -15.123 -1.405 326 HA3 GLY 42 HA3 GLY 42 1.293 -16.216 -2.221 327 H LYS 43 H LYS 43 -0.034 -13.462 -3.094 328 HA LYS 43 HA LYS 43 1.347 -13.338 -5.657 329 HB2 LYS 43 HB2 LYS 43 -1.207 -11.969 -4.702 330 HB3 LYS 43 HB3 LYS 43 -0.554 -11.858 -6.337 331 HG2 LYS 43 HG2 LYS 43 -0.750 -14.367 -6.510 332 HG3 LYS 43 HG3 LYS 43 -1.578 -14.356 -4.951 333 HD2 LYS 43 HD2 LYS 43 -2.530 -12.954 -7.480 334 HD3 LYS 43 HD3 LYS 43 -3.159 -14.474 -6.846 335 HE2 LYS 43 HE2 LYS 43 -3.909 -13.284 -4.802 336 HE3 LYS 43 HE3 LYS 43 -3.324 -11.765 -5.486 337 HZ1 LYS 43 HZ1 LYS 43 -4.877 -12.079 -7.338 338 HZ2 LYS 43 HZ2 LYS 43 -5.679 -11.997 -5.856 339 HZ3 LYS 43 HZ3 LYS 43 -5.465 -13.491 -6.616 340 H VAL 44 H VAL 44 3.254 -12.562 -4.599 341 HA VAL 44 HA VAL 44 3.488 -10.068 -3.281 342 HB VAL 44 HB VAL 44 5.686 -11.665 -4.674 343 HG11 VAL 44 HG11 VAL 44 5.888 -9.623 -2.431 344 HG12 VAL 44 HG12 VAL 44 6.402 -9.384 -4.102 345 HG13 VAL 44 HG13 VAL 44 7.231 -10.566 -3.088 346 HG21 VAL 44 HG21 VAL 44 4.454 -13.086 -3.077 347 HG22 VAL 44 HG22 VAL 44 4.703 -11.893 -1.800 348 HG23 VAL 44 HG23 VAL 44 6.085 -12.753 -2.484 349 H LYS 45 H LYS 45 3.418 -10.957 -6.642 350 HA LYS 45 HA LYS 45 4.729 -8.826 -7.896 351 HB2 LYS 45 HB2 LYS 45 2.466 -10.647 -8.757 352 HB3 LYS 45 HB3 LYS 45 2.911 -9.294 -9.784 353 HG2 LYS 45 HG2 LYS 45 3.985 -11.390 -10.506 354 HG3 LYS 45 HG3 LYS 45 5.165 -10.157 -10.056 355 HD2 LYS 45 HD2 LYS 45 5.629 -11.269 -7.954 356 HD3 LYS 45 HD3 LYS 45 4.294 -12.393 -8.194 357 HE2 LYS 45 HE2 LYS 45 6.785 -12.264 -9.926 358 HE3 LYS 45 HE3 LYS 45 6.510 -13.429 -8.629 359 HZ1 LYS 45 HZ1 LYS 45 4.896 -13.165 -11.114 360 HZ2 LYS 45 HZ2 LYS 45 4.561 -14.240 -9.855 361 HZ3 LYS 45 HZ3 LYS 45 5.986 -14.409 -10.753 362 H GLU 46 H GLU 46 1.243 -9.064 -7.044 363 HA GLU 46 HA GLU 46 0.606 -6.390 -7.827 364 HB2 GLU 46 HB2 GLU 46 -0.923 -8.271 -5.992 365 HB3 GLU 46 HB3 GLU 46 -1.549 -6.756 -6.638 366 HG2 GLU 46 HG2 GLU 46 -1.329 -7.664 -8.938 367 HG3 GLU 46 HG3 GLU 46 -0.756 -9.192 -8.263 368 H ALA 47 H ALA 47 1.647 -7.891 -4.820 369 HA ALA 47 HA ALA 47 1.142 -5.913 -2.926 370 HB1 ALA 47 HB1 ALA 47 3.544 -7.776 -3.028 371 HB2 ALA 47 HB2 ALA 47 1.963 -8.174 -2.349 372 HB3 ALA 47 HB3 ALA 47 2.956 -6.919 -1.604 373 H ILE 48 H ILE 48 4.010 -6.399 -4.961 374 HA ILE 48 HA ILE 48 5.619 -4.233 -4.284 375 HB ILE 48 HB ILE 48 5.218 -5.683 -6.939 376 HG12 ILE 48 HG12 ILE 48 7.497 -5.906 -4.925 377 HG13 ILE 48 HG13 ILE 48 6.112 -6.990 -4.970 378 HG21 ILE 48 HG21 ILE 48 7.358 -4.737 -7.735 379 HG22 ILE 48 HG22 ILE 48 7.437 -3.714 -6.301 380 HG23 ILE 48 HG23 ILE 48 6.148 -3.480 -7.482 381 HD11 ILE 48 HD11 ILE 48 8.169 -6.651 -7.150 382 HD12 ILE 48 HD12 ILE 48 6.762 -7.718 -7.217 383 HD13 ILE 48 HD13 ILE 48 8.028 -8.000 -6.024 384 H GLU 49 H GLU 49 3.118 -4.428 -6.832 385 HA GLU 49 HA GLU 49 3.405 -1.838 -7.878 386 HB2 GLU 49 HB2 GLU 49 0.933 -3.622 -7.884 387 HB3 GLU 49 HB3 GLU 49 1.197 -2.235 -8.942 388 HG2 GLU 49 HG2 GLU 49 3.125 -3.353 -9.971 389 HG3 GLU 49 HG3 GLU 49 2.928 -4.728 -8.883 390 H TYR 50 H TYR 50 1.407 -3.061 -5.233 391 HA TYR 50 HA TYR 50 0.010 -0.604 -4.764 392 HB2 TYR 50 HB2 TYR 50 0.159 -3.250 -3.329 393 HB3 TYR 50 HB3 TYR 50 -0.522 -1.858 -2.497 394 HD1 TYR 50 HD2 TYR 50 -2.430 -0.579 -3.655 395 HD2 TYR 50 HD1 TYR 50 -1.217 -4.503 -4.838 396 HE1 TYR 50 HE2 TYR 50 -4.582 -0.901 -4.789 397 HE2 TYR 50 HE1 TYR 50 -3.366 -4.827 -5.976 398 HH TYR 50 HH TYR 50 -5.531 -2.268 -6.572 399 H PHE 51 H PHE 51 3.000 -2.002 -3.457 400 HA PHE 51 HA PHE 51 3.304 0.003 -1.389 401 HB2 PHE 51 HB2 PHE 51 5.442 -1.764 -2.644 402 HB3 PHE 51 HB3 PHE 51 5.648 -0.799 -1.188 403 HD1 PHE 51 HD1 PHE 51 2.951 -1.518 0.137 404 HD2 PHE 51 HD2 PHE 51 5.969 -3.895 -1.770 405 HE1 PHE 51 HE1 PHE 51 2.288 -3.463 1.496 406 HE2 PHE 51 HE2 PHE 51 5.282 -5.840 -0.416 407 HZ PHE 51 HZ PHE 51 3.445 -5.621 1.210 408 H LEU 52 H LEU 52 4.073 -0.284 -4.781 409 HA LEU 52 HA LEU 52 5.868 1.937 -5.034 410 HB2 LEU 52 HB2 LEU 52 4.076 0.546 -7.064 411 HB3 LEU 52 HB3 LEU 52 5.171 1.845 -7.501 412 HG LEU 52 HG LEU 52 6.060 -0.825 -6.335 413 HD11 LEU 52 HD11 LEU 52 6.803 -1.418 -8.590 414 HD12 LEU 52 HD12 LEU 52 6.126 0.085 -9.229 415 HD13 LEU 52 HD13 LEU 52 5.062 -1.148 -8.547 416 HD21 LEU 52 HD21 LEU 52 7.700 1.404 -7.586 417 HD22 LEU 52 HD22 LEU 52 8.313 -0.147 -7.001 418 HD23 LEU 52 HD23 LEU 52 7.625 1.010 -5.866 419 H ARG 53 H ARG 53 2.370 1.485 -5.467 420 HA ARG 53 HA ARG 53 1.715 4.172 -6.109 421 HB2 ARG 53 HB2 ARG 53 0.016 1.893 -5.027 422 HB3 ARG 53 HB3 ARG 53 -0.645 3.468 -5.464 423 HG2 ARG 53 HG2 ARG 53 0.206 3.129 -7.797 424 HG3 ARG 53 HG3 ARG 53 0.705 1.495 -7.340 425 HD2 ARG 53 HD2 ARG 53 -1.483 1.496 -8.485 426 HD3 ARG 53 HD3 ARG 53 -1.629 0.918 -6.820 427 HE ARG 53 HE ARG 53 -2.108 3.750 -7.113 428 HH11 ARG 53 HH11 ARG 53 -3.665 0.577 -7.267 429 HH12 ARG 53 HH12 ARG 53 -5.250 1.221 -6.958 430 HH21 ARG 53 HH21 ARG 53 -4.170 4.560 -6.668 431 HH22 ARG 53 HH22 ARG 53 -5.529 3.490 -6.616 432 H ALA 54 H ALA 54 1.674 2.335 -3.049 433 HA ALA 54 HA ALA 54 0.615 4.294 -1.341 434 HB1 ALA 54 HB1 ALA 54 2.625 2.119 -0.660 435 HB2 ALA 54 HB2 ALA 54 0.871 1.925 -0.691 436 HB3 ALA 54 HB3 ALA 54 1.621 2.997 0.494 437 H LYS 55 H LYS 55 3.985 3.510 -2.170 438 HA LYS 55 HA LYS 55 5.294 5.443 -0.610 439 HB2 LYS 55 HB2 LYS 55 6.442 3.501 -1.654 440 HB3 LYS 55 HB3 LYS 55 6.179 4.199 -3.248 441 HG2 LYS 55 HG2 LYS 55 7.586 6.162 -2.557 442 HG3 LYS 55 HG3 LYS 55 7.939 5.325 -1.040 443 HD2 LYS 55 HD2 LYS 55 9.080 3.532 -2.229 444 HD3 LYS 55 HD3 LYS 55 8.555 4.172 -3.790 445 HE2 LYS 55 HE2 LYS 55 9.904 6.236 -3.322 446 HE3 LYS 55 HE3 LYS 55 10.526 5.448 -1.869 447 HZ1 LYS 55 HZ1 LYS 55 11.470 3.715 -3.244 448 HZ2 LYS 55 HZ2 LYS 55 12.022 5.222 -3.777 449 HZ3 LYS 55 HZ3 LYS 55 10.826 4.412 -4.640 450 H LYS 56 H LYS 56 4.059 5.543 -3.946 451 HA LYS 56 HA LYS 56 5.043 8.029 -4.787 452 HB2 LYS 56 HB2 LYS 56 4.010 6.471 -6.387 453 HB3 LYS 56 HB3 LYS 56 2.457 6.605 -5.567 454 HG2 LYS 56 HG2 LYS 56 2.514 9.105 -6.173 455 HG3 LYS 56 HG3 LYS 56 3.871 8.717 -7.228 456 HD2 LYS 56 HD2 LYS 56 2.427 7.185 -8.525 457 HD3 LYS 56 HD3 LYS 56 1.079 7.518 -7.433 458 HE2 LYS 56 HE2 LYS 56 1.230 9.942 -8.116 459 HE3 LYS 56 HE3 LYS 56 2.426 9.474 -9.326 460 HZ1 LYS 56 HZ1 LYS 56 0.268 9.611 -10.328 461 HZ2 LYS 56 HZ2 LYS 56 -0.394 8.560 -9.179 462 HZ3 LYS 56 HZ3 LYS 56 0.742 7.990 -10.288 463 H VAL 57 H VAL 57 2.037 7.185 -3.130 464 HA VAL 57 HA VAL 57 0.909 9.798 -3.150 465 HB VAL 57 HB VAL 57 0.191 7.359 -1.457 466 HG11 VAL 57 HG11 VAL 57 -1.425 9.871 -1.995 467 HG12 VAL 57 HG12 VAL 57 -0.686 9.429 -0.455 468 HG13 VAL 57 HG13 VAL 57 -1.993 8.447 -1.117 469 HG21 VAL 57 HG21 VAL 57 -1.065 8.370 -4.045 470 HG22 VAL 57 HG22 VAL 57 -1.582 6.954 -3.125 471 HG23 VAL 57 HG23 VAL 57 -0.004 6.970 -3.910 472 H PHE 58 H PHE 58 2.647 7.897 -0.632 473 HA PHE 58 HA PHE 58 2.666 9.879 1.402 474 HB2 PHE 58 HB2 PHE 58 4.530 7.530 0.872 475 HB3 PHE 58 HB3 PHE 58 4.709 8.572 2.276 476 HD1 PHE 58 HD2 PHE 58 2.079 8.954 3.366 477 HD2 PHE 58 HD1 PHE 58 3.703 5.436 1.529 478 HE1 PHE 58 HE2 PHE 58 0.559 7.542 4.692 479 HE2 PHE 58 HE1 PHE 58 2.184 4.041 2.866 480 HZ PHE 58 HZ PHE 58 0.616 5.092 4.448 481 H ASP 59 H ASP 59 4.694 9.367 -1.398 482 HA ASP 59 HA ASP 59 6.901 11.052 -0.737 483 HB2 ASP 59 HB2 ASP 59 6.975 9.265 -2.491 484 HB3 ASP 59 HB3 ASP 59 5.856 10.184 -3.480 485 H ALA 60 H ALA 60 3.843 11.485 -2.415 486 HA ALA 60 HA ALA 60 4.146 14.234 -3.124 487 HB1 ALA 60 HB1 ALA 60 1.618 12.567 -2.830 488 HB2 ALA 60 HB2 ALA 60 2.571 12.752 -4.304 489 HB3 ALA 60 HB3 ALA 60 1.729 14.143 -3.620 490 H GLU 61 H GLU 61 2.889 12.528 -0.273 491 HA GLU 61 HA GLU 61 1.865 14.855 1.081 492 HB2 GLU 61 HB2 GLU 61 2.619 12.119 2.209 493 HB3 GLU 61 HB3 GLU 61 1.714 13.357 3.074 494 HG2 GLU 61 HG2 GLU 61 0.798 11.864 0.605 495 HG3 GLU 61 HG3 GLU 61 0.250 11.591 2.254 496 H HIS 62 H HIS 62 5.011 13.694 0.529 497 HA HIS 62 HA HIS 62 7.073 14.030 1.347 498 HB2 HIS 62 HB2 HIS 62 5.776 16.472 2.621 499 HB3 HIS 62 HB3 HIS 62 7.504 16.150 2.706 500 HD1 HIS 62 HD1 HIS 62 5.922 18.562 1.177 501 HD2 HIS 62 HD2 HIS 62 7.880 15.301 -0.499 502 HE1 HIS 62 HE1 HIS 62 6.604 19.284 -1.130 503 HE2 HIS 62 HE2 HIS 62 8.016 17.395 -1.993 504 H ASP 63 H ASP 63 5.182 12.338 2.769 505 HA ASP 63 HA ASP 63 5.984 12.439 5.573 506 HB2 ASP 63 HB2 ASP 63 3.632 11.789 4.835 507 HB3 ASP 63 HB3 ASP 63 4.307 10.314 4.160 508 H THR 64 H THR 64 8.089 11.903 5.809 509 HA THR 64 HA THR 64 9.595 10.342 4.019 510 HB THR 64 HB THR 64 10.685 12.050 5.371 511 HG1 THR 64 HG1 THR 64 12.436 10.641 6.246 512 HG21 THR 64 HG21 THR 64 9.403 11.894 7.456 513 HG22 THR 64 HG22 THR 64 11.130 11.754 7.786 514 HG23 THR 64 HG23 THR 64 10.113 10.311 7.798 515 H ASP 65 H ASP 65 8.071 9.517 7.127 516 HA ASP 65 HA ASP 65 9.238 6.934 7.378 517 HB2 ASP 65 HB2 ASP 65 6.831 8.207 8.734 518 HB3 ASP 65 HB3 ASP 65 7.375 6.574 9.111 519 H GLY 66 H GLY 66 6.299 8.095 5.846 520 HA2 GLY 66 HA2 GLY 66 5.136 5.581 5.233 521 HA3 GLY 66 HA3 GLY 66 4.846 7.102 4.400 522 H ALA 67 H ALA 67 7.364 7.718 3.463 523 HA ALA 67 HA ALA 67 7.652 6.116 1.135 524 HB1 ALA 67 HB1 ALA 67 9.560 8.196 2.267 525 HB2 ALA 67 HB2 ALA 67 8.215 8.515 1.167 526 HB3 ALA 67 HB3 ALA 67 9.593 7.551 0.628 527 H ARG 68 H ARG 68 9.322 6.156 4.258 528 HA ARG 68 HA ARG 68 11.543 4.485 3.669 529 HB2 ARG 68 HB2 ARG 68 10.086 5.078 6.285 530 HB3 ARG 68 HB3 ARG 68 11.495 4.029 6.227 531 HG2 ARG 68 HG2 ARG 68 12.910 5.862 5.522 532 HG3 ARG 68 HG3 ARG 68 11.519 6.933 5.350 533 HD2 ARG 68 HD2 ARG 68 11.107 6.799 7.784 534 HD3 ARG 68 HD3 ARG 68 12.485 5.707 7.963 535 HE ARG 68 HE ARG 68 13.584 7.887 6.789 536 HH11 ARG 68 HH11 ARG 68 11.579 7.553 9.667 537 HH12 ARG 68 HH12 ARG 68 12.295 8.912 10.466 538 HH21 ARG 68 HH21 ARG 68 14.537 9.663 7.877 539 HH22 ARG 68 HH22 ARG 68 13.969 10.104 9.456 540 H ARG 69 H ARG 69 8.354 3.792 5.114 541 HA ARG 69 HA ARG 69 8.883 1.026 5.608 542 HB2 ARG 69 HB2 ARG 69 6.570 0.888 6.376 543 HB3 ARG 69 HB3 ARG 69 7.306 2.365 6.987 544 HG2 ARG 69 HG2 ARG 69 6.164 3.630 5.135 545 HG3 ARG 69 HG3 ARG 69 5.325 2.143 4.690 546 HD2 ARG 69 HD2 ARG 69 3.936 3.627 6.091 547 HD3 ARG 69 HD3 ARG 69 4.243 2.075 6.882 548 HE ARG 69 HE ARG 69 6.155 4.088 7.611 549 HH11 ARG 69 HH11 ARG 69 2.903 2.935 8.357 550 HH12 ARG 69 HH12 ARG 69 2.928 3.565 9.969 551 HH21 ARG 69 HH21 ARG 69 6.189 4.843 9.744 552 HH22 ARG 69 HH22 ARG 69 4.796 4.650 10.752 553 H ALA 70 H ALA 70 7.330 2.803 2.981 554 HA ALA 70 HA ALA 70 6.113 0.529 1.728 555 HB1 ALA 70 HB1 ALA 70 5.662 2.059 -0.147 556 HB2 ALA 70 HB2 ALA 70 6.715 3.275 0.581 557 HB3 ALA 70 HB3 ALA 70 5.227 2.797 1.399 558 H ALA 71 H ALA 71 9.126 2.377 1.203 559 HA ALA 71 HA ALA 71 10.087 0.816 -0.998 560 HB1 ALA 71 HB1 ALA 71 12.230 1.986 -0.631 561 HB2 ALA 71 HB2 ALA 71 11.631 2.619 0.905 562 HB3 ALA 71 HB3 ALA 71 10.876 3.123 -0.608 563 H LYS 72 H LYS 72 10.279 0.523 2.508 564 HA LYS 72 HA LYS 72 12.416 -1.406 2.552 565 HB2 LYS 72 HB2 LYS 72 11.828 0.156 4.489 566 HB3 LYS 72 HB3 LYS 72 10.409 -0.832 4.776 567 HG2 LYS 72 HG2 LYS 72 11.902 -1.662 6.353 568 HG3 LYS 72 HG3 LYS 72 12.110 -2.809 5.035 569 HD2 LYS 72 HD2 LYS 72 13.951 -0.438 5.564 570 HD3 LYS 72 HD3 LYS 72 14.251 -2.074 6.143 571 HE2 LYS 72 HE2 LYS 72 14.459 -2.889 3.851 572 HE3 LYS 72 HE3 LYS 72 14.035 -1.300 3.215 573 HZ1 LYS 72 HZ1 LYS 72 16.387 -1.563 3.123 574 HZ2 LYS 72 HZ2 LYS 72 16.471 -1.990 4.757 575 HZ3 LYS 72 HZ3 LYS 72 16.036 -0.421 4.320 576 H SER 73 H SER 73 8.894 -1.507 2.748 577 HA SER 73 HA SER 73 8.577 -4.312 3.085 578 HB2 SER 73 HB2 SER 73 6.818 -2.521 3.561 579 HB3 SER 73 HB3 SER 73 6.574 -2.385 1.822 580 HG SER 73 HG SER 73 5.095 -3.806 2.844 581 H LEU 74 H LEU 74 8.821 -2.168 0.282 582 HA LEU 74 HA LEU 74 8.528 -4.014 -1.805 583 HB2 LEU 74 HB2 LEU 74 9.995 -1.395 -1.502 584 HB3 LEU 74 HB3 LEU 74 10.307 -2.350 -2.938 585 HG LEU 74 HG LEU 74 7.548 -1.423 -2.099 586 HD11 LEU 74 HD11 LEU 74 7.667 0.230 -3.868 587 HD12 LEU 74 HD12 LEU 74 9.348 -0.206 -4.192 588 HD13 LEU 74 HD13 LEU 74 8.904 0.520 -2.645 589 HD21 LEU 74 HD21 LEU 74 6.912 -2.072 -4.391 590 HD22 LEU 74 HD22 LEU 74 7.500 -3.439 -3.449 591 HD23 LEU 74 HD23 LEU 74 8.546 -2.695 -4.661 592 H SER 75 H SER 75 11.418 -3.073 0.070 593 HA SER 75 HA SER 75 13.292 -4.616 -1.351 594 HB2 SER 75 HB2 SER 75 13.400 -3.667 1.541 595 HB3 SER 75 HB3 SER 75 14.779 -4.259 0.610 596 HG SER 75 HG SER 75 13.326 -2.232 -0.602 597 H GLU 76 H GLU 76 11.251 -5.427 1.429 598 HA GLU 76 HA GLU 76 12.225 -8.056 1.898 599 HB2 GLU 76 HB2 GLU 76 9.484 -6.845 2.486 600 HB3 GLU 76 HB3 GLU 76 10.076 -8.366 3.149 601 HG2 GLU 76 HG2 GLU 76 11.340 -5.651 3.636 602 HG3 GLU 76 HG3 GLU 76 10.231 -6.455 4.745 603 H ALA 77 H ALA 77 9.662 -6.719 -0.121 604 HA ALA 77 HA ALA 77 8.434 -9.109 -0.981 605 HB1 ALA 77 HB1 ALA 77 7.365 -7.672 -2.685 606 HB2 ALA 77 HB2 ALA 77 8.506 -6.378 -2.312 607 HB3 ALA 77 HB3 ALA 77 7.345 -6.907 -1.093 608 H TYR 78 H TYR 78 11.103 -7.194 -2.347 609 HA TYR 78 HA TYR 78 11.269 -8.621 -4.827 610 HB2 TYR 78 HB2 TYR 78 13.191 -6.700 -3.468 611 HB3 TYR 78 HB3 TYR 78 13.509 -7.409 -5.048 612 HD1 TYR 78 HD2 TYR 78 11.055 -7.190 -6.539 613 HD2 TYR 78 HD1 TYR 78 12.672 -4.431 -3.704 614 HE1 TYR 78 HE2 TYR 78 9.825 -5.353 -7.612 615 HE2 TYR 78 HE1 TYR 78 11.454 -2.601 -4.778 616 HH TYR 78 HH TYR 78 10.401 -2.028 -6.809 617 H GLN 79 H GLN 79 12.616 -9.149 -1.647 618 HA GLN 79 HA GLN 79 14.664 -11.012 -2.467 619 HB2 GLN 79 HB2 GLN 79 13.395 -10.495 0.249 620 HB3 GLN 79 HB3 GLN 79 14.772 -11.566 -0.013 621 HG2 GLN 79 HG2 GLN 79 16.107 -9.681 -0.834 622 HG3 GLN 79 HG3 GLN 79 14.735 -8.596 -0.623 623 HE21 GLN 79 HE21 GLN 79 14.113 -7.997 1.487 624 HE22 GLN 79 HE22 GLN 79 15.153 -8.227 2.845 625 H LYS 80 H LYS 80 11.266 -11.192 -1.876 626 HA LYS 80 HA LYS 80 11.107 -14.083 -1.685 627 HB2 LYS 80 HB2 LYS 80 8.863 -12.080 -2.223 628 HB3 LYS 80 HB3 LYS 80 8.684 -13.741 -1.653 629 HG2 LYS 80 HG2 LYS 80 9.836 -13.144 0.451 630 HG3 LYS 80 HG3 LYS 80 10.017 -11.484 -0.120 631 HD2 LYS 80 HD2 LYS 80 7.489 -11.336 -0.214 632 HD3 LYS 80 HD3 LYS 80 7.426 -12.932 0.542 633 HE2 LYS 80 HE2 LYS 80 8.557 -10.376 1.737 634 HE3 LYS 80 HE3 LYS 80 7.134 -11.270 2.271 635 HZ1 LYS 80 HZ1 LYS 80 8.591 -13.122 2.882 636 HZ2 LYS 80 HZ2 LYS 80 9.005 -11.708 3.710 637 HZ3 LYS 80 HZ3 LYS 80 9.949 -12.229 2.408 638 H VAL 81 H VAL 81 10.449 -11.573 -4.116 639 HA VAL 81 HA VAL 81 9.726 -13.304 -6.263 640 HB VAL 81 HB VAL 81 10.721 -10.418 -6.291 641 HG11 VAL 81 HG11 VAL 81 9.357 -11.911 -8.566 642 HG12 VAL 81 HG12 VAL 81 11.063 -11.465 -8.518 643 HG13 VAL 81 HG13 VAL 81 9.828 -10.207 -8.565 644 HG21 VAL 81 HG21 VAL 81 7.897 -11.538 -6.418 645 HG22 VAL 81 HG22 VAL 81 8.326 -9.830 -6.540 646 HG23 VAL 81 HG23 VAL 81 8.631 -10.709 -5.042 647 H GLU 82 H GLU 82 12.641 -11.207 -6.116 648 HA GLU 82 HA GLU 82 14.210 -13.022 -7.760 649 HB2 GLU 82 HB2 GLU 82 15.035 -10.471 -6.300 650 HB3 GLU 82 HB3 GLU 82 15.994 -11.307 -7.522 651 HG2 GLU 82 HG2 GLU 82 14.333 -10.752 -9.236 652 HG3 GLU 82 HG3 GLU 82 13.297 -9.999 -8.020 653 H GLY 83 H GLY 83 15.046 -14.824 -6.777 654 HA2 GLY 83 HA2 GLY 83 15.763 -14.891 -3.960 655 HA3 GLY 83 HA3 GLY 83 15.929 -16.197 -5.123 656 H SER 84 H SER 84 17.266 -12.888 -4.839 657 HA SER 84 HA SER 84 19.849 -13.687 -5.881 658 HB2 SER 84 HB2 SER 84 18.960 -11.029 -4.668 659 HB3 SER 84 HB3 SER 84 20.423 -11.302 -5.621 660 HG SER 84 HG SER 84 18.074 -12.113 -6.830 661 H GLY 85 H GLY 85 21.233 -14.787 -4.597 662 HA2 GLY 85 HA2 GLY 85 22.702 -15.044 -2.780 663 HA3 GLY 85 HA3 GLY 85 21.696 -13.982 -1.803 664 H ASP 86 H ASP 86 19.275 -14.947 -1.804 665 HA ASP 86 HA ASP 86 17.818 -16.424 -0.917 666 HB2 ASP 86 HB2 ASP 86 18.462 -17.755 -2.977 667 HB3 ASP 86 HB3 ASP 86 19.636 -18.621 -1.999 668 H LYS 87 H LYS 87 20.303 -15.575 0.581 669 HA LYS 87 HA LYS 87 20.129 -17.384 2.875 670 HB2 LYS 87 HB2 LYS 87 21.922 -18.300 1.367 671 HB3 LYS 87 HB3 LYS 87 22.776 -16.768 1.475 672 HG2 LYS 87 HG2 LYS 87 23.192 -17.122 3.854 673 HG3 LYS 87 HG3 LYS 87 22.205 -18.589 3.839 674 HD2 LYS 87 HD2 LYS 87 23.826 -19.613 2.214 675 HD3 LYS 87 HD3 LYS 87 24.828 -18.162 2.344 676 HE2 LYS 87 HE2 LYS 87 25.181 -18.610 4.728 677 HE3 LYS 87 HE3 LYS 87 24.134 -20.027 4.634 678 HZ1 LYS 87 HZ1 LYS 87 25.686 -21.024 3.081 679 HZ2 LYS 87 HZ2 LYS 87 26.464 -20.645 4.533 680 HZ3 LYS 87 HZ3 LYS 87 26.692 -19.669 3.171 681 H GLY 88 H GLY 88 19.146 -15.643 3.915 682 HA2 GLY 88 HA2 GLY 88 20.544 -13.070 4.193 683 HA3 GLY 88 HA3 GLY 88 18.944 -13.483 4.795 684 H LYS 89 H LYS 89 22.359 -13.528 5.463 685 HA LYS 89 HA LYS 89 22.246 -15.128 7.842 686 HB2 LYS 89 HB2 LYS 89 24.401 -13.347 6.656 687 HB3 LYS 89 HB3 LYS 89 24.604 -14.091 8.240 688 HG2 LYS 89 HG2 LYS 89 24.283 -16.337 7.145 689 HG3 LYS 89 HG3 LYS 89 24.293 -15.518 5.577 690 HD2 LYS 89 HD2 LYS 89 26.570 -14.784 5.876 691 HD3 LYS 89 HD3 LYS 89 26.567 -15.244 7.580 692 HE2 LYS 89 HE2 LYS 89 26.413 -17.170 5.239 693 HE3 LYS 89 HE3 LYS 89 27.853 -16.836 6.200 694 HZ1 LYS 89 HZ1 LYS 89 25.332 -18.075 7.180 695 HZ2 LYS 89 HZ2 LYS 89 26.641 -17.659 8.161 696 HZ3 LYS 89 HZ3 LYS 89 26.825 -18.844 6.973 697 H ILE 90 H ILE 90 20.710 -14.311 9.154 698 HA ILE 90 HA ILE 90 20.733 -11.536 10.037 699 HB ILE 90 HB ILE 90 18.658 -12.227 11.325 700 HG12 ILE 90 HG12 ILE 90 18.981 -14.857 9.795 701 HG13 ILE 90 HG13 ILE 90 19.136 -14.666 11.536 702 HG21 ILE 90 HG21 ILE 90 17.212 -12.309 9.326 703 HG22 ILE 90 HG22 ILE 90 18.608 -12.712 8.323 704 HG23 ILE 90 HG23 ILE 90 18.518 -11.141 9.123 705 HD11 ILE 90 HD11 ILE 90 17.003 -15.633 10.945 706 HD12 ILE 90 HD12 ILE 90 16.617 -14.245 9.931 707 HD13 ILE 90 HD13 ILE 90 16.773 -14.047 11.679 708 H PHE 91 H PHE 91 22.987 -12.139 10.857 709 HA PHE 91 HA PHE 91 23.007 -13.108 13.629 710 HB2 PHE 91 HB2 PHE 91 25.233 -12.228 11.743 711 HB3 PHE 91 HB3 PHE 91 25.510 -12.615 13.437 712 HD1 PHE 91 HD2 PHE 91 25.059 -14.952 14.265 713 HD2 PHE 91 HD1 PHE 91 25.044 -13.984 10.097 714 HE1 PHE 91 HE2 PHE 91 25.315 -17.328 13.705 715 HE2 PHE 91 HE1 PHE 91 25.308 -16.366 9.546 716 HZ PHE 91 HZ PHE 91 25.443 -18.042 11.346 717 H GLN 92 H GLN 92 21.995 -11.588 14.837 718 HA GLN 92 HA GLN 92 21.725 -9.802 16.171 719 HB2 GLN 92 HB2 GLN 92 24.603 -9.212 15.377 720 HB3 GLN 92 HB3 GLN 92 23.733 -8.279 16.584 721 HG2 GLN 92 HG2 GLN 92 25.105 -9.827 17.763 722 HG3 GLN 92 HG3 GLN 92 23.447 -10.396 17.920 723 HE21 GLN 92 HE21 GLN 92 26.556 -10.984 16.436 724 HE22 GLN 92 HE22 GLN 92 26.252 -12.623 15.975 725 H LYS 93 H LYS 93 21.093 -9.570 13.213 726 HA LYS 93 HA LYS 93 21.357 -6.778 12.545 727 HB2 LYS 93 HB2 LYS 93 19.575 -8.955 11.374 728 HB3 LYS 93 HB3 LYS 93 19.678 -7.315 10.734 729 HG2 LYS 93 HG2 LYS 93 22.112 -7.676 10.320 730 HG3 LYS 93 HG3 LYS 93 21.921 -9.359 10.834 731 HD2 LYS 93 HD2 LYS 93 20.367 -9.784 8.980 732 HD3 LYS 93 HD3 LYS 93 20.399 -8.076 8.520 733 HE2 LYS 93 HE2 LYS 93 22.781 -8.261 7.952 734 HE3 LYS 93 HE3 LYS 93 22.783 -9.948 8.457 735 HZ1 LYS 93 HZ1 LYS 93 22.607 -9.795 6.083 736 HZ2 LYS 93 HZ2 LYS 93 21.249 -8.803 6.196 737 HZ3 LYS 93 HZ3 LYS 93 21.165 -10.409 6.706 738 H GLU 94 H GLU 94 20.617 -5.775 14.405 739 HA GLU 94 HA GLU 94 17.906 -6.053 15.371 740 HB2 GLU 94 HB2 GLU 94 20.095 -4.046 16.040 741 HB3 GLU 94 HB3 GLU 94 18.585 -4.235 16.930 742 HG2 GLU 94 HG2 GLU 94 19.212 -6.358 17.785 743 HG3 GLU 94 HG3 GLU 94 20.509 -6.550 16.606 744 H GLY 95 H GLY 95 19.687 -3.128 14.281 745 HA2 GLY 95 HA2 GLY 95 19.081 -1.300 13.067 746 HA3 GLY 95 HA3 GLY 95 18.071 -2.384 12.119 747 H GLU 96 H GLU 96 16.255 -1.186 11.901 748 HA GLU 96 HA GLU 96 14.377 -0.001 12.317 749 HB2 GLU 96 HB2 GLU 96 13.813 -2.367 12.917 750 HB3 GLU 96 HB3 GLU 96 14.121 -1.981 14.608 751 HG2 GLU 96 HG2 GLU 96 12.266 -0.313 14.536 752 HG3 GLU 96 HG3 GLU 96 11.960 -0.751 12.855 753 H SER 97 H SER 97 16.054 1.688 13.004 754 HA SER 97 HA SER 97 15.509 2.668 15.747 755 HB2 SER 97 HB2 SER 97 17.851 1.794 15.445 756 HB3 SER 97 HB3 SER 97 18.109 2.987 14.172 757 HG SER 97 HG SER 97 18.853 3.653 16.251 758 H ILE 98 H ILE 98 13.817 3.938 15.045 759 HA ILE 98 HA ILE 98 14.129 6.002 13.036 760 HB ILE 98 HB ILE 98 11.884 5.574 15.089 761 HG12 ILE 98 HG12 ILE 98 10.523 4.940 12.955 762 HG13 ILE 98 HG13 ILE 98 12.070 4.797 12.135 763 HG21 ILE 98 HG21 ILE 98 12.043 7.953 14.444 764 HG22 ILE 98 HG22 ILE 98 10.565 7.225 13.811 765 HG23 ILE 98 HG23 ILE 98 11.937 7.510 12.738 766 HD11 ILE 98 HD11 ILE 98 11.160 3.154 14.505 767 HD12 ILE 98 HD12 ILE 98 12.701 2.983 13.662 768 HD13 ILE 98 HD13 ILE 98 11.193 2.629 12.821 769 H LEU 99 H LEU 99 15.795 7.318 13.650 770 HA LEU 99 HA LEU 99 15.622 8.770 16.232 771 HB2 LEU 99 HB2 LEU 99 18.213 8.751 16.175 772 HB3 LEU 99 HB3 LEU 99 17.378 7.298 16.677 773 HG LEU 99 HG LEU 99 17.812 6.273 14.436 774 HD11 LEU 99 HD11 LEU 99 18.006 8.240 13.024 775 HD12 LEU 99 HD12 LEU 99 19.444 7.235 12.886 776 HD13 LEU 99 HD13 LEU 99 19.497 8.716 13.844 777 HD21 LEU 99 HD21 LEU 99 19.312 5.806 16.301 778 HD22 LEU 99 HD22 LEU 99 20.313 7.199 15.879 779 HD23 LEU 99 HD23 LEU 99 20.195 5.822 14.777 780 H GLU 100 H GLU 100 17.308 10.706 16.144 781 HA GLU 100 HA GLU 100 16.457 12.504 14.096 782 HB2 GLU 100 HB2 GLU 100 18.614 12.783 16.235 783 HB3 GLU 100 HB3 GLU 100 18.070 14.100 15.203 784 HG2 GLU 100 HG2 GLU 100 16.346 12.589 17.196 785 HG3 GLU 100 HG3 GLU 100 17.047 14.186 17.449 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -7.643 -9.949 11.170 2 H2 GLY 1 H2 GLY 1 -8.659 -10.427 12.429 3 H3 GLY 1 H3 GLY 1 -8.333 -8.790 12.186 4 HA2 GLY 1 HA2 GLY 1 -10.539 -9.338 11.379 5 HA3 GLY 1 HA3 GLY 1 -9.480 -8.839 10.063 6 H GLY 2 H GLY 2 -11.019 -10.013 8.687 7 HA2 GLY 2 HA2 GLY 2 -11.167 -12.914 8.846 8 HA3 GLY 2 HA3 GLY 2 -11.867 -11.872 7.613 9 H SER 3 H SER 3 -11.150 -13.246 5.969 10 HA SER 3 HA SER 3 -8.535 -14.073 5.432 11 HB2 SER 3 HB2 SER 3 -10.768 -13.365 3.475 12 HB3 SER 3 HB3 SER 3 -9.324 -14.299 3.072 13 HG SER 3 HG SER 3 -9.990 -15.863 4.567 14 HA PRO 4 HA PRO 4 -6.361 -10.186 4.488 15 HB2 PRO 4 HB2 PRO 4 -4.876 -11.835 2.432 16 HB3 PRO 4 HB3 PRO 4 -4.243 -10.786 3.719 17 HG2 PRO 4 HG2 PRO 4 -4.153 -13.421 4.025 18 HG3 PRO 4 HG3 PRO 4 -4.583 -12.370 5.397 19 HD2 PRO 4 HD2 PRO 4 -6.400 -14.044 3.665 20 HD3 PRO 4 HD3 PRO 4 -6.446 -13.780 5.427 21 H ASP 5 H ASP 5 -7.583 -12.197 1.848 22 HA ASP 5 HA ASP 5 -7.688 -10.298 -0.215 23 HB2 ASP 5 HB2 ASP 5 -7.922 -12.711 -0.606 24 HB3 ASP 5 HB3 ASP 5 -9.453 -12.738 0.259 25 H GLU 6 H GLU 6 -10.103 -11.196 2.249 26 HA GLU 6 HA GLU 6 -12.200 -9.466 1.510 27 HB2 GLU 6 HB2 GLU 6 -12.535 -11.319 3.069 28 HB3 GLU 6 HB3 GLU 6 -11.425 -10.618 4.228 29 HG2 GLU 6 HG2 GLU 6 -13.952 -9.153 3.449 30 HG3 GLU 6 HG3 GLU 6 -14.014 -10.448 4.637 31 H ASN 7 H ASN 7 -9.482 -9.072 3.762 32 HA ASN 7 HA ASN 7 -10.108 -6.596 4.858 33 HB2 ASN 7 HB2 ASN 7 -7.367 -7.860 4.395 34 HB3 ASN 7 HB3 ASN 7 -7.665 -6.489 5.464 35 HD21 ASN 7 HD21 ASN 7 -6.717 -9.291 5.988 36 HD22 ASN 7 HD22 ASN 7 -7.740 -9.880 7.249 37 H ILE 8 H ILE 8 -8.281 -7.351 1.915 38 HA ILE 8 HA ILE 8 -7.407 -4.885 1.015 39 HB ILE 8 HB ILE 8 -8.502 -7.291 -0.493 40 HG12 ILE 8 HG12 ILE 8 -5.619 -6.360 -0.308 41 HG13 ILE 8 HG13 ILE 8 -6.347 -7.413 0.901 42 HG21 ILE 8 HG21 ILE 8 -7.162 -4.882 -1.761 43 HG22 ILE 8 HG22 ILE 8 -8.817 -5.425 -2.030 44 HG23 ILE 8 HG23 ILE 8 -7.464 -6.414 -2.585 45 HD11 ILE 8 HD11 ILE 8 -5.072 -8.658 -0.729 46 HD12 ILE 8 HD12 ILE 8 -6.095 -8.045 -2.028 47 HD13 ILE 8 HD13 ILE 8 -6.776 -9.088 -0.781 48 H ALA 9 H ALA 9 -10.568 -6.418 0.335 49 HA ALA 9 HA ALA 9 -11.616 -4.361 -1.287 50 HB1 ALA 9 HB1 ALA 9 -12.461 -6.673 -1.319 51 HB2 ALA 9 HB2 ALA 9 -13.765 -5.520 -1.029 52 HB3 ALA 9 HB3 ALA 9 -13.111 -6.469 0.309 53 H LYS 10 H LYS 10 -11.642 -4.860 2.201 54 HA LYS 10 HA LYS 10 -13.673 -2.937 2.844 55 HB2 LYS 10 HB2 LYS 10 -13.097 -4.910 4.260 56 HB3 LYS 10 HB3 LYS 10 -11.521 -4.210 4.600 57 HG2 LYS 10 HG2 LYS 10 -12.513 -2.415 5.883 58 HG3 LYS 10 HG3 LYS 10 -14.136 -2.869 5.357 59 HD2 LYS 10 HD2 LYS 10 -13.786 -3.599 7.659 60 HD3 LYS 10 HD3 LYS 10 -13.938 -5.012 6.615 61 HE2 LYS 10 HE2 LYS 10 -11.238 -3.911 7.471 62 HE3 LYS 10 HE3 LYS 10 -12.134 -5.068 8.447 63 HZ1 LYS 10 HZ1 LYS 10 -10.532 -6.211 7.105 64 HZ2 LYS 10 HZ2 LYS 10 -11.140 -5.523 5.690 65 HZ3 LYS 10 HZ3 LYS 10 -12.082 -6.611 6.565 66 H PHE 11 H PHE 11 -10.109 -2.902 2.876 67 HA PHE 11 HA PHE 11 -9.834 -0.155 3.665 68 HB2 PHE 11 HB2 PHE 11 -7.815 -2.039 2.366 69 HB3 PHE 11 HB3 PHE 11 -7.426 -0.437 2.986 70 HD1 PHE 11 HD2 PHE 11 -8.595 -0.163 5.550 71 HD2 PHE 11 HD1 PHE 11 -7.005 -3.731 3.800 72 HE1 PHE 11 HE2 PHE 11 -8.227 -1.114 7.789 73 HE2 PHE 11 HE1 PHE 11 -6.645 -4.672 6.046 74 HZ PHE 11 HZ PHE 11 -7.264 -3.365 8.038 75 H GLU 12 H GLU 12 -10.425 -1.742 0.661 76 HA GLU 12 HA GLU 12 -9.589 0.350 -1.114 77 HB2 GLU 12 HB2 GLU 12 -9.892 -2.182 -1.566 78 HB3 GLU 12 HB3 GLU 12 -11.611 -1.854 -1.725 79 HG2 GLU 12 HG2 GLU 12 -9.478 -0.520 -3.417 80 HG3 GLU 12 HG3 GLU 12 -10.271 -2.018 -3.878 81 H LYS 13 H LYS 13 -12.660 -0.533 0.462 82 HA LYS 13 HA LYS 13 -14.294 1.512 -0.690 83 HB2 LYS 13 HB2 LYS 13 -14.593 0.188 2.045 84 HB3 LYS 13 HB3 LYS 13 -15.854 1.052 1.169 85 HG2 LYS 13 HG2 LYS 13 -15.904 -0.673 -0.552 86 HG3 LYS 13 HG3 LYS 13 -14.537 -1.495 0.193 87 HD2 LYS 13 HD2 LYS 13 -16.048 -1.747 2.286 88 HD3 LYS 13 HD3 LYS 13 -17.381 -1.271 1.228 89 HE2 LYS 13 HE2 LYS 13 -15.567 -3.680 0.849 90 HE3 LYS 13 HE3 LYS 13 -17.239 -3.711 1.399 91 HZ1 LYS 13 HZ1 LYS 13 -17.925 -2.857 -0.742 92 HZ2 LYS 13 HZ2 LYS 13 -17.061 -4.293 -0.926 93 HZ3 LYS 13 HZ3 LYS 13 -16.320 -2.814 -1.271 94 H ALA 14 H ALA 14 -12.311 1.271 2.242 95 HA ALA 14 HA ALA 14 -12.734 3.869 3.288 96 HB1 ALA 14 HB1 ALA 14 -10.765 3.410 4.694 97 HB2 ALA 14 HB2 ALA 14 -10.369 2.008 3.692 98 HB3 ALA 14 HB3 ALA 14 -11.854 2.023 4.644 99 H TYR 15 H TYR 15 -10.599 2.633 0.808 100 HA TYR 15 HA TYR 15 -8.830 4.847 0.560 101 HB2 TYR 15 HB2 TYR 15 -8.135 2.745 -0.385 102 HB3 TYR 15 HB3 TYR 15 -9.615 2.575 -1.316 103 HD1 TYR 15 HD2 TYR 15 -6.417 4.522 -1.094 104 HD2 TYR 15 HD1 TYR 15 -9.777 3.484 -3.538 105 HE1 TYR 15 HE2 TYR 15 -5.320 5.528 -3.023 106 HE2 TYR 15 HE1 TYR 15 -8.669 4.512 -5.473 107 HH TYR 15 HH TYR 15 -6.931 6.229 -5.900 108 H LYS 16 H LYS 16 -11.962 4.043 -0.913 109 HA LYS 16 HA LYS 16 -12.034 6.194 -2.779 110 HB2 LYS 16 HB2 LYS 16 -14.289 4.577 -1.531 111 HB3 LYS 16 HB3 LYS 16 -14.495 5.688 -2.883 112 HG2 LYS 16 HG2 LYS 16 -12.968 4.303 -4.256 113 HG3 LYS 16 HG3 LYS 16 -12.785 3.173 -2.903 114 HD2 LYS 16 HD2 LYS 16 -15.180 2.659 -2.964 115 HD3 LYS 16 HD3 LYS 16 -15.437 3.858 -4.236 116 HE2 LYS 16 HE2 LYS 16 -13.999 2.533 -5.743 117 HE3 LYS 16 HE3 LYS 16 -13.789 1.328 -4.472 118 HZ1 LYS 16 HZ1 LYS 16 -16.338 2.061 -5.808 119 HZ2 LYS 16 HZ2 LYS 16 -16.212 0.989 -4.513 120 HZ3 LYS 16 HZ3 LYS 16 -15.481 0.613 -5.983 121 H LYS 17 H LYS 17 -13.145 5.843 0.558 122 HA LYS 17 HA LYS 17 -14.394 8.396 0.856 123 HB2 LYS 17 HB2 LYS 17 -14.722 6.286 2.296 124 HB3 LYS 17 HB3 LYS 17 -13.192 6.655 3.072 125 HG2 LYS 17 HG2 LYS 17 -15.502 8.618 3.053 126 HG3 LYS 17 HG3 LYS 17 -15.374 7.351 4.270 127 HD2 LYS 17 HD2 LYS 17 -13.182 8.303 4.995 128 HD3 LYS 17 HD3 LYS 17 -13.355 9.577 3.783 129 HE2 LYS 17 HE2 LYS 17 -14.008 10.428 5.974 130 HE3 LYS 17 HE3 LYS 17 -15.434 10.348 4.939 131 HZ1 LYS 17 HZ1 LYS 17 -15.922 9.520 7.135 132 HZ2 LYS 17 HZ2 LYS 17 -14.678 8.380 7.041 133 HZ3 LYS 17 HZ3 LYS 17 -16.028 8.248 6.032 134 H ALA 18 H ALA 18 -11.176 7.107 1.436 135 HA ALA 18 HA ALA 18 -9.826 9.276 2.582 136 HB1 ALA 18 HB1 ALA 18 -8.793 7.154 0.668 137 HB2 ALA 18 HB2 ALA 18 -8.886 7.012 2.423 138 HB3 ALA 18 HB3 ALA 18 -7.790 8.187 1.695 139 H GLU 19 H GLU 19 -10.319 8.334 -0.804 140 HA GLU 19 HA GLU 19 -8.800 10.342 -2.083 141 HB2 GLU 19 HB2 GLU 19 -9.414 8.134 -3.060 142 HB3 GLU 19 HB3 GLU 19 -11.101 8.612 -3.142 143 HG2 GLU 19 HG2 GLU 19 -8.879 10.022 -4.651 144 HG3 GLU 19 HG3 GLU 19 -9.784 8.676 -5.327 145 H GLU 20 H GLU 20 -12.203 10.072 -1.196 146 HA GLU 20 HA GLU 20 -13.335 12.138 -2.662 147 HB2 GLU 20 HB2 GLU 20 -14.512 10.271 -1.418 148 HB3 GLU 20 HB3 GLU 20 -14.182 11.120 0.093 149 HG2 GLU 20 HG2 GLU 20 -15.461 13.080 -0.842 150 HG3 GLU 20 HG3 GLU 20 -15.907 12.050 -2.206 151 H LEU 21 H LEU 21 -11.810 12.155 0.529 152 HA LEU 21 HA LEU 21 -12.365 15.017 0.936 153 HB2 LEU 21 HB2 LEU 21 -11.077 13.006 2.819 154 HB3 LEU 21 HB3 LEU 21 -11.566 14.641 3.229 155 HG LEU 21 HG LEU 21 -13.415 12.318 2.553 156 HD11 LEU 21 HD11 LEU 21 -12.456 12.181 4.792 157 HD12 LEU 21 HD12 LEU 21 -14.175 12.550 4.874 158 HD13 LEU 21 HD13 LEU 21 -12.986 13.827 5.152 159 HD21 LEU 21 HD21 LEU 21 -15.293 13.843 3.038 160 HD22 LEU 21 HD22 LEU 21 -14.371 14.383 1.638 161 HD23 LEU 21 HD23 LEU 21 -14.169 15.195 3.193 162 H ASN 22 H ASN 22 -10.183 13.551 -0.842 163 HA ASN 22 HA ASN 22 -8.158 14.046 -1.733 164 HB2 ASN 22 HB2 ASN 22 -8.469 16.673 -0.201 165 HB3 ASN 22 HB3 ASN 22 -7.223 16.367 -1.402 166 HD21 ASN 22 HD21 ASN 22 -10.658 16.836 -0.924 167 HD22 ASN 22 HD22 ASN 22 -11.025 17.196 -2.568 168 H GLN 23 H GLN 23 -8.398 12.730 0.901 169 HA GLN 23 HA GLN 23 -6.047 13.458 2.447 170 HB2 GLN 23 HB2 GLN 23 -7.948 11.104 2.810 171 HB3 GLN 23 HB3 GLN 23 -6.749 11.650 3.975 172 HG2 GLN 23 HG2 GLN 23 -9.116 13.317 3.079 173 HG3 GLN 23 HG3 GLN 23 -9.120 12.272 4.496 174 HE21 GLN 23 HE21 GLN 23 -9.620 14.091 5.764 175 HE22 GLN 23 HE22 GLN 23 -8.426 15.260 6.193 176 H GLY 24 H GLY 24 -4.449 13.092 0.809 177 HA2 GLY 24 HA2 GLY 24 -3.910 10.615 -0.426 178 HA3 GLY 24 HA3 GLY 24 -2.735 11.887 -0.119 179 H GLU 25 H GLU 25 -3.118 11.878 2.764 180 HA GLU 25 HA GLU 25 -1.261 10.059 3.727 181 HB2 GLU 25 HB2 GLU 25 -2.011 12.102 4.921 182 HB3 GLU 25 HB3 GLU 25 -3.588 11.370 5.207 183 HG2 GLU 25 HG2 GLU 25 -2.499 9.609 6.587 184 HG3 GLU 25 HG3 GLU 25 -0.940 10.394 6.322 185 H LEU 26 H LEU 26 -4.814 9.866 3.879 186 HA LEU 26 HA LEU 26 -4.978 7.266 5.008 187 HB2 LEU 26 HB2 LEU 26 -6.971 9.067 3.618 188 HB3 LEU 26 HB3 LEU 26 -7.427 7.441 4.085 189 HG LEU 26 HG LEU 26 -6.499 9.585 6.039 190 HD11 LEU 26 HD11 LEU 26 -8.858 9.733 6.729 191 HD12 LEU 26 HD12 LEU 26 -9.312 8.596 5.456 192 HD13 LEU 26 HD13 LEU 26 -8.663 10.182 5.035 193 HD21 LEU 26 HD21 LEU 26 -6.029 7.309 6.829 194 HD22 LEU 26 HD22 LEU 26 -7.707 6.845 6.524 195 HD23 LEU 26 HD23 LEU 26 -7.331 8.044 7.767 196 H MET 27 H MET 27 -5.049 8.456 1.626 197 HA MET 27 HA MET 27 -5.788 6.007 0.390 198 HB2 MET 27 HB2 MET 27 -4.306 8.413 -0.746 199 HB3 MET 27 HB3 MET 27 -4.787 7.029 -1.722 200 HG2 MET 27 HG2 MET 27 -7.177 7.508 -0.926 201 HG3 MET 27 HG3 MET 27 -6.554 9.064 -0.378 202 HE1 MET 27 HE1 MET 27 -5.121 10.373 -3.905 203 HE2 MET 27 HE2 MET 27 -4.252 9.316 -2.792 204 HE3 MET 27 HE3 MET 27 -5.154 10.704 -2.174 205 H GLY 28 H GLY 28 -2.650 7.392 1.200 206 HA2 GLY 28 HA2 GLY 28 -0.972 5.531 -0.125 207 HA3 GLY 28 HA3 GLY 28 -0.516 6.580 1.212 208 H ARG 29 H ARG 29 -2.133 5.790 3.233 209 HA ARG 29 HA ARG 29 -0.982 3.441 4.285 210 HB2 ARG 29 HB2 ARG 29 -3.520 4.924 5.084 211 HB3 ARG 29 HB3 ARG 29 -2.806 3.626 6.040 212 HG2 ARG 29 HG2 ARG 29 -0.791 4.967 6.414 213 HG3 ARG 29 HG3 ARG 29 -1.431 6.254 5.387 214 HD2 ARG 29 HD2 ARG 29 -3.323 6.561 6.971 215 HD3 ARG 29 HD3 ARG 29 -2.646 5.298 8.009 216 HE ARG 29 HE ARG 29 -0.631 7.175 7.689 217 HH11 ARG 29 HH11 ARG 29 -3.895 7.188 9.028 218 HH12 ARG 29 HH12 ARG 29 -3.549 8.450 10.163 219 HH21 ARG 29 HH21 ARG 29 -0.201 8.841 9.177 220 HH22 ARG 29 HH22 ARG 29 -1.447 9.400 10.254 221 H ALA 30 H ALA 30 -3.976 4.025 2.513 222 HA ALA 30 HA ALA 30 -5.267 1.537 2.975 223 HB1 ALA 30 HB1 ALA 30 -5.647 3.473 0.652 224 HB2 ALA 30 HB2 ALA 30 -6.471 3.556 2.211 225 HB3 ALA 30 HB3 ALA 30 -6.764 2.186 1.144 226 H LEU 31 H LEU 31 -3.370 2.754 0.182 227 HA LEU 31 HA LEU 31 -3.509 0.364 -1.354 228 HB2 LEU 31 HB2 LEU 31 -1.554 2.700 -1.489 229 HB3 LEU 31 HB3 LEU 31 -1.651 1.429 -2.699 230 HG LEU 31 HG LEU 31 -3.942 3.327 -2.040 231 HD11 LEU 31 HD11 LEU 31 -2.011 3.431 -4.379 232 HD12 LEU 31 HD12 LEU 31 -2.061 4.557 -3.021 233 HD13 LEU 31 HD13 LEU 31 -3.419 4.471 -4.140 234 HD21 LEU 31 HD21 LEU 31 -4.719 1.182 -2.934 235 HD22 LEU 31 HD22 LEU 31 -3.627 1.332 -4.314 236 HD23 LEU 31 HD23 LEU 31 -4.960 2.472 -4.110 237 H TYR 32 H TYR 32 -1.200 1.580 1.016 238 HA TYR 32 HA TYR 32 0.847 -0.352 0.660 239 HB2 TYR 32 HB2 TYR 32 1.289 1.759 1.853 240 HB3 TYR 32 HB3 TYR 32 0.124 1.338 3.105 241 HD1 TYR 32 HD2 TYR 32 3.221 -0.083 1.493 242 HD2 TYR 32 HD1 TYR 32 0.992 0.424 5.106 243 HE1 TYR 32 HE2 TYR 32 4.981 -1.241 2.752 244 HE2 TYR 32 HE1 TYR 32 2.752 -0.737 6.353 245 HH TYR 32 HH TYR 32 4.554 -2.407 5.849 246 H ASN 33 H ASN 33 -1.989 -0.186 2.785 247 HA ASN 33 HA ASN 33 -1.464 -2.495 4.349 248 HB2 ASN 33 HB2 ASN 33 -3.016 -0.526 4.894 249 HB3 ASN 33 HB3 ASN 33 -4.200 -1.247 3.812 250 HD21 ASN 33 HD21 ASN 33 -4.241 -0.724 6.719 251 HD22 ASN 33 HD22 ASN 33 -4.636 -2.245 7.438 252 H ILE 34 H ILE 34 -3.597 -1.879 1.589 253 HA ILE 34 HA ILE 34 -4.593 -4.424 1.047 254 HB ILE 34 HB ILE 34 -3.970 -2.050 -0.764 255 HG12 ILE 34 HG12 ILE 34 -6.645 -3.117 0.262 256 HG13 ILE 34 HG13 ILE 34 -5.772 -1.751 0.951 257 HG21 ILE 34 HG21 ILE 34 -5.421 -4.581 -1.572 258 HG22 ILE 34 HG22 ILE 34 -3.885 -3.999 -2.217 259 HG23 ILE 34 HG23 ILE 34 -5.371 -3.099 -2.529 260 HD11 ILE 34 HD11 ILE 34 -6.030 -0.524 -1.142 261 HD12 ILE 34 HD12 ILE 34 -7.582 -1.003 -0.456 262 HD13 ILE 34 HD13 ILE 34 -6.921 -1.885 -1.833 263 H GLY 35 H GLY 35 -1.583 -2.849 -0.044 264 HA2 GLY 35 HA2 GLY 35 -0.607 -4.815 -1.792 265 HA3 GLY 35 HA3 GLY 35 0.359 -3.609 -0.953 266 H LEU 36 H LEU 36 -0.053 -4.324 1.691 267 HA LEU 36 HA LEU 36 1.698 -6.444 2.191 268 HB2 LEU 36 HB2 LEU 36 -0.427 -5.210 3.985 269 HB3 LEU 36 HB3 LEU 36 0.729 -6.399 4.563 270 HG LEU 36 HG LEU 36 1.479 -3.653 3.457 271 HD11 LEU 36 HD11 LEU 36 1.363 -4.633 6.324 272 HD12 LEU 36 HD12 LEU 36 0.282 -3.454 5.573 273 HD13 LEU 36 HD13 LEU 36 1.986 -3.070 5.791 274 HD21 LEU 36 HD21 LEU 36 3.204 -5.759 4.810 275 HD22 LEU 36 HD22 LEU 36 3.723 -4.134 4.353 276 HD23 LEU 36 HD23 LEU 36 3.268 -5.293 3.107 277 H GLU 37 H GLU 37 -1.857 -6.359 2.200 278 HA GLU 37 HA GLU 37 -2.308 -9.014 3.035 279 HB2 GLU 37 HB2 GLU 37 -4.111 -7.176 1.410 280 HB3 GLU 37 HB3 GLU 37 -4.624 -8.647 2.226 281 HG2 GLU 37 HG2 GLU 37 -3.596 -6.130 3.547 282 HG3 GLU 37 HG3 GLU 37 -5.260 -6.696 3.527 283 H LYS 38 H LYS 38 -1.800 -7.655 -0.222 284 HA LYS 38 HA LYS 38 -2.296 -10.015 -1.715 285 HB2 LYS 38 HB2 LYS 38 -0.679 -7.510 -2.195 286 HB3 LYS 38 HB3 LYS 38 -0.303 -8.892 -3.208 287 HG2 LYS 38 HG2 LYS 38 -1.829 -7.553 -4.425 288 HG3 LYS 38 HG3 LYS 38 -2.728 -8.973 -3.880 289 HD2 LYS 38 HD2 LYS 38 -3.692 -7.627 -2.036 290 HD3 LYS 38 HD3 LYS 38 -2.811 -6.211 -2.617 291 HE2 LYS 38 HE2 LYS 38 -5.142 -6.143 -3.364 292 HE3 LYS 38 HE3 LYS 38 -4.062 -6.308 -4.745 293 HZ1 LYS 38 HZ1 LYS 38 -4.588 -8.661 -4.831 294 HZ2 LYS 38 HZ2 LYS 38 -5.992 -7.732 -4.942 295 HZ3 LYS 38 HZ3 LYS 38 -5.612 -8.513 -3.495 296 H ASN 39 H ASN 39 0.616 -8.773 -0.119 297 HA ASN 39 HA ASN 39 2.456 -10.755 -0.951 298 HB2 ASN 39 HB2 ASN 39 3.032 -8.449 -0.056 299 HB3 ASN 39 HB3 ASN 39 2.622 -9.017 1.558 300 HD21 ASN 39 HD21 ASN 39 4.690 -8.564 2.275 301 HD22 ASN 39 HD22 ASN 39 6.070 -9.512 1.848 302 H LYS 40 H LYS 40 0.247 -10.581 1.807 303 HA LYS 40 HA LYS 40 1.164 -12.797 3.322 304 HB2 LYS 40 HB2 LYS 40 -1.463 -11.302 3.146 305 HB3 LYS 40 HB3 LYS 40 -1.472 -12.864 3.948 306 HG2 LYS 40 HG2 LYS 40 -1.273 -11.142 5.604 307 HG3 LYS 40 HG3 LYS 40 0.240 -12.045 5.545 308 HD2 LYS 40 HD2 LYS 40 1.317 -10.232 4.319 309 HD3 LYS 40 HD3 LYS 40 -0.216 -9.372 4.183 310 HE2 LYS 40 HE2 LYS 40 1.235 -9.944 6.787 311 HE3 LYS 40 HE3 LYS 40 1.256 -8.405 5.922 312 HZ1 LYS 40 HZ1 LYS 40 -1.169 -9.705 7.048 313 HZ2 LYS 40 HZ2 LYS 40 -1.123 -8.220 6.248 314 HZ3 LYS 40 HZ3 LYS 40 -0.342 -8.397 7.735 315 H MET 41 H MET 41 -1.017 -12.526 0.551 316 HA MET 41 HA MET 41 -1.809 -15.347 0.636 317 HB2 MET 41 HB2 MET 41 -2.608 -13.169 -1.330 318 HB3 MET 41 HB3 MET 41 -3.362 -14.750 -1.170 319 HG2 MET 41 HG2 MET 41 -4.126 -14.148 1.085 320 HG3 MET 41 HG3 MET 41 -3.367 -12.572 0.924 321 HE1 MET 41 HE1 MET 41 -5.541 -11.040 -2.023 322 HE2 MET 41 HE2 MET 41 -4.108 -12.037 -2.283 323 HE3 MET 41 HE3 MET 41 -4.112 -10.808 -1.013 324 H GLY 42 H GLY 42 0.866 -13.821 -0.499 325 HA2 GLY 42 HA2 GLY 42 2.602 -14.726 -1.729 326 HA3 GLY 42 HA3 GLY 42 1.540 -15.990 -2.325 327 H LYS 43 H LYS 43 0.089 -12.971 -2.764 328 HA LYS 43 HA LYS 43 0.913 -12.790 -5.570 329 HB2 LYS 43 HB2 LYS 43 -1.115 -11.106 -4.012 330 HB3 LYS 43 HB3 LYS 43 -0.716 -10.883 -5.709 331 HG2 LYS 43 HG2 LYS 43 -2.727 -12.076 -5.761 332 HG3 LYS 43 HG3 LYS 43 -1.495 -13.306 -6.060 333 HD2 LYS 43 HD2 LYS 43 -1.604 -13.953 -3.648 334 HD3 LYS 43 HD3 LYS 43 -2.882 -12.760 -3.406 335 HE2 LYS 43 HE2 LYS 43 -3.046 -15.208 -5.199 336 HE3 LYS 43 HE3 LYS 43 -3.803 -15.024 -3.623 337 HZ1 LYS 43 HZ1 LYS 43 -4.432 -13.379 -6.009 338 HZ2 LYS 43 HZ2 LYS 43 -5.188 -13.285 -4.502 339 HZ3 LYS 43 HZ3 LYS 43 -5.354 -14.675 -5.447 340 H VAL 44 H VAL 44 3.122 -12.438 -4.803 341 HA VAL 44 HA VAL 44 3.855 -10.107 -3.295 342 HB VAL 44 HB VAL 44 5.640 -12.036 -4.854 343 HG11 VAL 44 HG11 VAL 44 6.393 -10.073 -2.655 344 HG12 VAL 44 HG12 VAL 44 6.836 -9.942 -4.359 345 HG13 VAL 44 HG13 VAL 44 7.473 -11.266 -3.381 346 HG21 VAL 44 HG21 VAL 44 4.845 -12.075 -1.919 347 HG22 VAL 44 HG22 VAL 44 5.993 -13.176 -2.686 348 HG23 VAL 44 HG23 VAL 44 4.290 -13.204 -3.156 349 H LYS 45 H LYS 45 3.667 -10.853 -6.731 350 HA LYS 45 HA LYS 45 5.198 -8.647 -7.723 351 HB2 LYS 45 HB2 LYS 45 3.009 -10.288 -9.095 352 HB3 LYS 45 HB3 LYS 45 3.967 -9.057 -9.905 353 HG2 LYS 45 HG2 LYS 45 4.879 -11.175 -10.505 354 HG3 LYS 45 HG3 LYS 45 6.024 -10.396 -9.413 355 HD2 LYS 45 HD2 LYS 45 5.208 -11.824 -7.550 356 HD3 LYS 45 HD3 LYS 45 4.056 -12.595 -8.642 357 HE2 LYS 45 HE2 LYS 45 5.935 -13.463 -10.001 358 HE3 LYS 45 HE3 LYS 45 7.082 -12.685 -8.905 359 HZ1 LYS 45 HZ1 LYS 45 5.148 -14.805 -8.133 360 HZ2 LYS 45 HZ2 LYS 45 6.286 -14.083 -7.118 361 HZ3 LYS 45 HZ3 LYS 45 6.796 -15.040 -8.411 362 H GLU 46 H GLU 46 1.790 -9.199 -6.973 363 HA GLU 46 HA GLU 46 0.817 -6.645 -7.859 364 HB2 GLU 46 HB2 GLU 46 -0.542 -8.465 -5.830 365 HB3 GLU 46 HB3 GLU 46 -1.303 -7.291 -6.902 366 HG2 GLU 46 HG2 GLU 46 0.002 -9.898 -7.689 367 HG3 GLU 46 HG3 GLU 46 -1.720 -9.554 -7.677 368 H ALA 47 H ALA 47 1.957 -8.012 -4.825 369 HA ALA 47 HA ALA 47 1.307 -6.023 -2.984 370 HB1 ALA 47 HB1 ALA 47 2.210 -8.227 -2.352 371 HB2 ALA 47 HB2 ALA 47 3.156 -6.923 -1.627 372 HB3 ALA 47 HB3 ALA 47 3.775 -7.793 -3.035 373 H ILE 48 H ILE 48 4.275 -6.448 -4.905 374 HA ILE 48 HA ILE 48 5.731 -4.161 -4.317 375 HB ILE 48 HB ILE 48 5.469 -5.780 -6.896 376 HG12 ILE 48 HG12 ILE 48 7.708 -5.711 -4.830 377 HG13 ILE 48 HG13 ILE 48 6.412 -6.899 -4.840 378 HG21 ILE 48 HG21 ILE 48 6.255 -3.550 -7.570 379 HG22 ILE 48 HG22 ILE 48 7.550 -4.737 -7.732 380 HG23 ILE 48 HG23 ILE 48 7.543 -3.625 -6.363 381 HD11 ILE 48 HD11 ILE 48 8.485 -6.531 -6.990 382 HD12 ILE 48 HD12 ILE 48 7.173 -7.712 -7.005 383 HD13 ILE 48 HD13 ILE 48 8.431 -7.808 -5.775 384 H GLU 49 H GLU 49 3.262 -4.608 -6.855 385 HA GLU 49 HA GLU 49 3.381 -2.151 -8.137 386 HB2 GLU 49 HB2 GLU 49 2.058 -4.527 -8.512 387 HB3 GLU 49 HB3 GLU 49 0.715 -3.544 -7.960 388 HG2 GLU 49 HG2 GLU 49 2.495 -2.670 -10.236 389 HG3 GLU 49 HG3 GLU 49 1.158 -3.778 -10.495 390 H TYR 50 H TYR 50 1.320 -3.204 -5.420 391 HA TYR 50 HA TYR 50 -0.015 -0.706 -5.038 392 HB2 TYR 50 HB2 TYR 50 0.183 -3.263 -3.428 393 HB3 TYR 50 HB3 TYR 50 -0.544 -1.831 -2.713 394 HD1 TYR 50 HD2 TYR 50 -2.632 -0.856 -3.708 395 HD2 TYR 50 HD1 TYR 50 -1.030 -4.572 -5.087 396 HE1 TYR 50 HE2 TYR 50 -4.778 -1.389 -4.788 397 HE2 TYR 50 HE1 TYR 50 -3.160 -5.097 -6.168 398 HH TYR 50 HH TYR 50 -5.620 -2.822 -6.620 399 H PHE 51 H PHE 51 2.958 -2.098 -3.668 400 HA PHE 51 HA PHE 51 3.261 -0.185 -1.542 401 HB2 PHE 51 HB2 PHE 51 5.351 -1.941 -2.907 402 HB3 PHE 51 HB3 PHE 51 5.673 -0.961 -1.483 403 HD1 PHE 51 HD1 PHE 51 2.926 -1.648 -0.092 404 HD2 PHE 51 HD2 PHE 51 6.013 -4.004 -1.907 405 HE1 PHE 51 HE1 PHE 51 2.341 -3.549 1.351 406 HE2 PHE 51 HE2 PHE 51 5.407 -5.903 -0.462 407 HZ PHE 51 HZ PHE 51 3.576 -5.673 1.166 408 H LEU 52 H LEU 52 4.110 -0.287 -4.920 409 HA LEU 52 HA LEU 52 5.933 1.941 -4.942 410 HB2 LEU 52 HB2 LEU 52 4.341 0.592 -7.157 411 HB3 LEU 52 HB3 LEU 52 5.481 1.894 -7.455 412 HG LEU 52 HG LEU 52 6.217 -0.825 -6.292 413 HD11 LEU 52 HD11 LEU 52 7.246 -1.294 -8.462 414 HD12 LEU 52 HD12 LEU 52 6.666 0.250 -9.095 415 HD13 LEU 52 HD13 LEU 52 5.515 -1.009 -8.635 416 HD21 LEU 52 HD21 LEU 52 8.543 -0.138 -6.647 417 HD22 LEU 52 HD22 LEU 52 7.728 0.938 -5.517 418 HD23 LEU 52 HD23 LEU 52 8.008 1.458 -7.182 419 H ARG 53 H ARG 53 2.469 1.479 -5.694 420 HA ARG 53 HA ARG 53 1.800 4.135 -6.353 421 HB2 ARG 53 HB2 ARG 53 0.062 1.959 -5.087 422 HB3 ARG 53 HB3 ARG 53 -0.565 3.481 -5.716 423 HG2 ARG 53 HG2 ARG 53 0.349 2.827 -7.978 424 HG3 ARG 53 HG3 ARG 53 0.752 1.255 -7.290 425 HD2 ARG 53 HD2 ARG 53 -1.666 0.897 -6.762 426 HD3 ARG 53 HD3 ARG 53 -2.033 2.454 -7.512 427 HE ARG 53 HE ARG 53 -0.735 0.312 -9.063 428 HH11 ARG 53 HH11 ARG 53 -3.514 2.430 -8.614 429 HH12 ARG 53 HH12 ARG 53 -4.232 2.011 -10.138 430 HH21 ARG 53 HH21 ARG 53 -1.710 -0.310 -11.003 431 HH22 ARG 53 HH22 ARG 53 -3.197 0.437 -11.505 432 H ALA 54 H ALA 54 1.549 2.380 -3.280 433 HA ALA 54 HA ALA 54 0.474 4.339 -1.630 434 HB1 ALA 54 HB1 ALA 54 2.344 2.069 -0.891 435 HB2 ALA 54 HB2 ALA 54 0.593 1.949 -1.064 436 HB3 ALA 54 HB3 ALA 54 1.276 2.947 0.220 437 H LYS 55 H LYS 55 3.878 3.437 -2.143 438 HA LYS 55 HA LYS 55 5.091 5.149 -0.302 439 HB2 LYS 55 HB2 LYS 55 6.241 3.252 -1.424 440 HB3 LYS 55 HB3 LYS 55 6.192 4.118 -2.958 441 HG2 LYS 55 HG2 LYS 55 7.653 5.884 -1.994 442 HG3 LYS 55 HG3 LYS 55 7.711 4.987 -0.474 443 HD2 LYS 55 HD2 LYS 55 8.797 3.078 -1.641 444 HD3 LYS 55 HD3 LYS 55 8.731 3.981 -3.158 445 HE2 LYS 55 HE2 LYS 55 10.159 5.753 -2.098 446 HE3 LYS 55 HE3 LYS 55 10.312 4.716 -0.677 447 HZ1 LYS 55 HZ1 LYS 55 11.331 3.024 -2.095 448 HZ2 LYS 55 HZ2 LYS 55 12.206 4.465 -2.130 449 HZ3 LYS 55 HZ3 LYS 55 11.211 4.048 -3.432 450 H LYS 56 H LYS 56 4.343 5.612 -3.752 451 HA LYS 56 HA LYS 56 5.530 8.153 -4.056 452 HB2 LYS 56 HB2 LYS 56 5.006 6.710 -5.982 453 HB3 LYS 56 HB3 LYS 56 3.280 6.871 -5.663 454 HG2 LYS 56 HG2 LYS 56 3.382 9.277 -6.160 455 HG3 LYS 56 HG3 LYS 56 5.128 9.174 -6.399 456 HD2 LYS 56 HD2 LYS 56 4.789 7.711 -8.362 457 HD3 LYS 56 HD3 LYS 56 3.040 7.748 -8.105 458 HE2 LYS 56 HE2 LYS 56 3.004 10.164 -8.545 459 HE3 LYS 56 HE3 LYS 56 4.759 10.180 -8.719 460 HZ1 LYS 56 HZ1 LYS 56 3.719 10.165 -10.866 461 HZ2 LYS 56 HZ2 LYS 56 2.834 8.782 -10.498 462 HZ3 LYS 56 HZ3 LYS 56 4.513 8.690 -10.641 463 H VAL 57 H VAL 57 2.260 7.160 -3.076 464 HA VAL 57 HA VAL 57 1.125 9.778 -3.028 465 HB VAL 57 HB VAL 57 0.219 7.338 -1.412 466 HG11 VAL 57 HG11 VAL 57 -1.978 8.476 -1.351 467 HG12 VAL 57 HG12 VAL 57 -1.288 9.862 -2.201 468 HG13 VAL 57 HG13 VAL 57 -0.731 9.457 -0.576 469 HG21 VAL 57 HG21 VAL 57 -0.751 8.284 -4.136 470 HG22 VAL 57 HG22 VAL 57 -1.394 6.912 -3.225 471 HG23 VAL 57 HG23 VAL 57 0.254 6.869 -3.849 472 H PHE 58 H PHE 58 2.779 7.755 -0.592 473 HA PHE 58 HA PHE 58 2.627 9.504 1.629 474 HB2 PHE 58 HB2 PHE 58 4.651 7.339 0.907 475 HB3 PHE 58 HB3 PHE 58 4.786 8.270 2.390 476 HD1 PHE 58 HD2 PHE 58 2.247 8.401 3.616 477 HD2 PHE 58 HD1 PHE 58 3.862 5.185 1.302 478 HE1 PHE 58 HE2 PHE 58 0.837 6.795 4.839 479 HE2 PHE 58 HE1 PHE 58 2.454 3.592 2.530 480 HZ PHE 58 HZ PHE 58 0.948 4.396 4.301 481 H ASP 59 H ASP 59 4.861 9.346 -1.112 482 HA ASP 59 HA ASP 59 6.739 11.288 -0.148 483 HB2 ASP 59 HB2 ASP 59 6.183 10.300 -2.984 484 HB3 ASP 59 HB3 ASP 59 7.503 11.392 -2.568 485 H ALA 60 H ALA 60 3.797 11.457 -2.083 486 HA ALA 60 HA ALA 60 3.896 14.213 -2.786 487 HB1 ALA 60 HB1 ALA 60 1.493 13.956 -3.306 488 HB2 ALA 60 HB2 ALA 60 1.474 12.387 -2.491 489 HB3 ALA 60 HB3 ALA 60 2.434 12.613 -3.955 490 H GLU 61 H GLU 61 2.649 12.453 0.008 491 HA GLU 61 HA GLU 61 1.589 14.789 1.371 492 HB2 GLU 61 HB2 GLU 61 2.022 11.934 2.368 493 HB3 GLU 61 HB3 GLU 61 1.103 13.182 3.202 494 HG2 GLU 61 HG2 GLU 61 0.405 11.942 0.533 495 HG3 GLU 61 HG3 GLU 61 -0.367 11.598 2.076 496 H HIS 62 H HIS 62 4.640 13.413 0.956 497 HA HIS 62 HA HIS 62 6.690 13.671 1.813 498 HB2 HIS 62 HB2 HIS 62 5.438 16.078 3.200 499 HB3 HIS 62 HB3 HIS 62 7.148 15.681 3.350 500 HD1 HIS 62 HD1 HIS 62 8.552 16.935 1.771 501 HD2 HIS 62 HD2 HIS 62 4.773 16.234 0.199 502 HE1 HIS 62 HE1 HIS 62 8.558 18.001 -0.498 503 HE2 HIS 62 HE2 HIS 62 6.267 17.549 -1.429 504 H ASP 63 H ASP 63 4.616 12.036 3.181 505 HA ASP 63 HA ASP 63 5.439 11.801 5.936 506 HB2 ASP 63 HB2 ASP 63 3.132 11.170 5.171 507 HB3 ASP 63 HB3 ASP 63 3.815 9.895 4.175 508 H THR 64 H THR 64 7.594 11.420 5.983 509 HA THR 64 HA THR 64 9.080 9.827 4.199 510 HB THR 64 HB THR 64 10.135 11.645 5.453 511 HG1 THR 64 HG1 THR 64 11.527 9.985 4.793 512 HG21 THR 64 HG21 THR 64 9.746 9.943 7.945 513 HG22 THR 64 HG22 THR 64 8.918 11.460 7.587 514 HG23 THR 64 HG23 THR 64 10.661 11.453 7.856 515 H ASP 65 H ASP 65 7.484 9.075 7.234 516 HA ASP 65 HA ASP 65 8.724 6.693 8.006 517 HB2 ASP 65 HB2 ASP 65 7.267 7.832 9.559 518 HB3 ASP 65 HB3 ASP 65 5.898 7.765 8.453 519 H GLY 66 H GLY 66 5.678 7.094 6.160 520 HA2 GLY 66 HA2 GLY 66 5.272 4.296 5.776 521 HA3 GLY 66 HA3 GLY 66 4.372 5.600 5.015 522 H ALA 67 H ALA 67 6.726 6.854 3.810 523 HA ALA 67 HA ALA 67 6.857 5.393 1.372 524 HB1 ALA 67 HB1 ALA 67 7.091 7.826 1.473 525 HB2 ALA 67 HB2 ALA 67 8.496 7.098 0.693 526 HB3 ALA 67 HB3 ALA 67 8.603 7.664 2.364 527 H ARG 68 H ARG 68 9.134 5.766 4.079 528 HA ARG 68 HA ARG 68 11.225 4.130 2.990 529 HB2 ARG 68 HB2 ARG 68 10.656 5.069 5.830 530 HB3 ARG 68 HB3 ARG 68 12.094 4.153 5.385 531 HG2 ARG 68 HG2 ARG 68 12.882 5.949 3.959 532 HG3 ARG 68 HG3 ARG 68 11.374 6.848 4.181 533 HD2 ARG 68 HD2 ARG 68 13.169 7.780 5.578 534 HD3 ARG 68 HD3 ARG 68 11.881 7.113 6.579 535 HE ARG 68 HE ARG 68 13.316 5.138 6.919 536 HH11 ARG 68 HH11 ARG 68 14.877 8.154 5.983 537 HH12 ARG 68 HH12 ARG 68 16.416 7.704 6.660 538 HH21 ARG 68 HH21 ARG 68 15.328 4.542 7.745 539 HH22 ARG 68 HH22 ARG 68 16.665 5.657 7.658 540 H ARG 69 H ARG 69 8.383 3.534 4.968 541 HA ARG 69 HA ARG 69 9.058 0.860 5.786 542 HB2 ARG 69 HB2 ARG 69 7.496 2.381 7.053 543 HB3 ARG 69 HB3 ARG 69 6.325 2.231 5.748 544 HG2 ARG 69 HG2 ARG 69 6.252 -0.241 6.184 545 HG3 ARG 69 HG3 ARG 69 7.317 0.011 7.565 546 HD2 ARG 69 HD2 ARG 69 5.641 1.295 8.724 547 HD3 ARG 69 HD3 ARG 69 4.608 1.358 7.286 548 HE ARG 69 HE ARG 69 5.091 -1.330 7.923 549 HH11 ARG 69 HH11 ARG 69 3.283 1.372 9.288 550 HH12 ARG 69 HH12 ARG 69 2.117 0.336 10.057 551 HH21 ARG 69 HH21 ARG 69 3.556 -2.652 8.908 552 HH22 ARG 69 HH22 ARG 69 2.273 -1.940 9.837 553 H ALA 70 H ALA 70 7.298 2.326 3.119 554 HA ALA 70 HA ALA 70 6.261 -0.093 1.982 555 HB1 ALA 70 HB1 ALA 70 5.782 1.288 -0.001 556 HB2 ALA 70 HB2 ALA 70 6.718 2.621 0.686 557 HB3 ALA 70 HB3 ALA 70 5.237 2.079 1.479 558 H ALA 71 H ALA 71 9.154 1.910 1.515 559 HA ALA 71 HA ALA 71 10.394 0.401 -0.539 560 HB1 ALA 71 HB1 ALA 71 11.657 2.159 1.593 561 HB2 ALA 71 HB2 ALA 71 11.040 2.705 0.033 562 HB3 ALA 71 HB3 ALA 71 12.429 1.621 0.092 563 H LYS 72 H LYS 72 10.318 0.053 2.971 564 HA LYS 72 HA LYS 72 12.299 -1.970 3.243 565 HB2 LYS 72 HB2 LYS 72 11.528 -0.669 5.185 566 HB3 LYS 72 HB3 LYS 72 9.888 -1.268 4.980 567 HG2 LYS 72 HG2 LYS 72 10.990 -2.383 6.861 568 HG3 LYS 72 HG3 LYS 72 10.624 -3.545 5.585 569 HD2 LYS 72 HD2 LYS 72 12.827 -4.029 6.461 570 HD3 LYS 72 HD3 LYS 72 13.025 -3.380 4.832 571 HE2 LYS 72 HE2 LYS 72 13.544 -1.145 5.846 572 HE3 LYS 72 HE3 LYS 72 13.445 -1.882 7.448 573 HZ1 LYS 72 HZ1 LYS 72 15.246 -3.402 6.753 574 HZ2 LYS 72 HZ2 LYS 72 15.718 -1.784 6.776 575 HZ3 LYS 72 HZ3 LYS 72 15.394 -2.544 5.303 576 H SER 73 H SER 73 8.738 -2.084 2.982 577 HA SER 73 HA SER 73 8.441 -4.886 2.940 578 HB2 SER 73 HB2 SER 73 6.660 -2.677 1.854 579 HB3 SER 73 HB3 SER 73 6.169 -4.364 2.023 580 HG SER 73 HG SER 73 6.436 -2.408 3.935 581 H LEU 74 H LEU 74 9.141 -2.556 0.425 582 HA LEU 74 HA LEU 74 8.830 -4.265 -1.833 583 HB2 LEU 74 HB2 LEU 74 10.203 -1.605 -1.338 584 HB3 LEU 74 HB3 LEU 74 10.471 -2.440 -2.859 585 HG LEU 74 HG LEU 74 7.693 -1.712 -1.857 586 HD11 LEU 74 HD11 LEU 74 8.962 0.353 -2.184 587 HD12 LEU 74 HD12 LEU 74 7.712 0.163 -3.414 588 HD13 LEU 74 HD13 LEU 74 9.403 -0.161 -3.814 589 HD21 LEU 74 HD21 LEU 74 7.034 -2.096 -4.191 590 HD22 LEU 74 HD22 LEU 74 7.737 -3.543 -3.473 591 HD23 LEU 74 HD23 LEU 74 8.690 -2.565 -4.594 592 H SER 75 H SER 75 11.603 -3.362 0.226 593 HA SER 75 HA SER 75 13.668 -4.646 -1.178 594 HB2 SER 75 HB2 SER 75 14.010 -3.006 0.689 595 HB3 SER 75 HB3 SER 75 13.443 -4.213 1.841 596 HG SER 75 HG SER 75 15.296 -5.470 0.617 597 H GLU 76 H GLU 76 11.380 -5.850 1.234 598 HA GLU 76 HA GLU 76 12.385 -8.520 1.501 599 HB2 GLU 76 HB2 GLU 76 9.591 -7.417 2.042 600 HB3 GLU 76 HB3 GLU 76 10.217 -8.959 2.628 601 HG2 GLU 76 HG2 GLU 76 11.846 -7.819 4.035 602 HG3 GLU 76 HG3 GLU 76 11.361 -6.253 3.368 603 H ALA 77 H ALA 77 9.782 -7.015 -0.394 604 HA ALA 77 HA ALA 77 8.609 -9.363 -1.431 605 HB1 ALA 77 HB1 ALA 77 7.428 -7.203 -1.274 606 HB2 ALA 77 HB2 ALA 77 7.388 -7.834 -2.924 607 HB3 ALA 77 HB3 ALA 77 8.494 -6.522 -2.504 608 H TYR 78 H TYR 78 11.154 -7.228 -2.685 609 HA TYR 78 HA TYR 78 11.330 -8.378 -5.271 610 HB2 TYR 78 HB2 TYR 78 13.282 -6.687 -3.658 611 HB3 TYR 78 HB3 TYR 78 13.653 -7.249 -5.287 612 HD1 TYR 78 HD2 TYR 78 11.191 -6.891 -6.792 613 HD2 TYR 78 HD1 TYR 78 12.850 -4.363 -3.776 614 HE1 TYR 78 HE2 TYR 78 10.001 -4.964 -7.746 615 HE2 TYR 78 HE1 TYR 78 11.664 -2.443 -4.730 616 HH TYR 78 HH TYR 78 9.175 -2.763 -7.002 617 H GLN 79 H GLN 79 12.919 -9.109 -2.179 618 HA GLN 79 HA GLN 79 14.808 -11.016 -3.038 619 HB2 GLN 79 HB2 GLN 79 13.281 -10.828 -0.398 620 HB3 GLN 79 HB3 GLN 79 14.634 -11.926 -0.668 621 HG2 GLN 79 HG2 GLN 79 16.166 -10.095 -0.976 622 HG3 GLN 79 HG3 GLN 79 14.856 -8.916 -0.959 623 HE21 GLN 79 HE21 GLN 79 17.231 -9.064 0.753 624 HE22 GLN 79 HE22 GLN 79 16.639 -9.129 2.375 625 H LYS 80 H LYS 80 11.354 -11.295 -2.431 626 HA LYS 80 HA LYS 80 11.202 -14.163 -2.663 627 HB2 LYS 80 HB2 LYS 80 8.964 -12.098 -2.934 628 HB3 LYS 80 HB3 LYS 80 8.762 -13.829 -2.651 629 HG2 LYS 80 HG2 LYS 80 9.895 -13.613 -0.467 630 HG3 LYS 80 HG3 LYS 80 10.088 -11.877 -0.740 631 HD2 LYS 80 HD2 LYS 80 7.603 -11.635 -0.801 632 HD3 LYS 80 HD3 LYS 80 7.440 -13.367 -0.491 633 HE2 LYS 80 HE2 LYS 80 8.635 -13.049 1.675 634 HE3 LYS 80 HE3 LYS 80 8.677 -11.311 1.363 635 HZ1 LYS 80 HZ1 LYS 80 6.187 -11.444 1.229 636 HZ2 LYS 80 HZ2 LYS 80 6.846 -11.702 2.758 637 HZ3 LYS 80 HZ3 LYS 80 6.298 -13.014 1.847 638 H VAL 81 H VAL 81 10.885 -11.429 -4.851 639 HA VAL 81 HA VAL 81 10.001 -13.004 -7.129 640 HB VAL 81 HB VAL 81 10.772 -10.057 -6.833 641 HG11 VAL 81 HG11 VAL 81 11.203 -10.722 -9.168 642 HG12 VAL 81 HG12 VAL 81 9.802 -9.656 -9.061 643 HG13 VAL 81 HG13 VAL 81 9.572 -11.392 -9.292 644 HG21 VAL 81 HG21 VAL 81 8.065 -11.422 -7.117 645 HG22 VAL 81 HG22 VAL 81 8.323 -9.678 -7.066 646 HG23 VAL 81 HG23 VAL 81 8.712 -10.665 -5.656 647 H GLU 82 H GLU 82 13.045 -12.290 -5.697 648 HA GLU 82 HA GLU 82 14.731 -12.256 -7.960 649 HB2 GLU 82 HB2 GLU 82 15.288 -13.159 -5.113 650 HB3 GLU 82 HB3 GLU 82 16.530 -13.132 -6.356 651 HG2 GLU 82 HG2 GLU 82 15.042 -10.768 -5.203 652 HG3 GLU 82 HG3 GLU 82 16.748 -11.158 -5.016 653 H GLY 83 H GLY 83 15.599 -13.754 -9.184 654 HA2 GLY 83 HA2 GLY 83 15.511 -16.635 -8.491 655 HA3 GLY 83 HA3 GLY 83 14.929 -16.084 -10.067 656 H SER 84 H SER 84 17.577 -14.591 -8.355 657 HA SER 84 HA SER 84 19.291 -14.663 -10.630 658 HB2 SER 84 HB2 SER 84 19.261 -12.751 -9.033 659 HB3 SER 84 HB3 SER 84 19.900 -13.795 -7.760 660 HG SER 84 HG SER 84 21.186 -13.227 -10.235 661 H GLY 85 H GLY 85 19.080 -16.469 -7.593 662 HA2 GLY 85 HA2 GLY 85 19.814 -18.690 -7.311 663 HA3 GLY 85 HA3 GLY 85 20.965 -18.489 -8.627 664 H ASP 86 H ASP 86 22.191 -16.107 -7.828 665 HA ASP 86 HA ASP 86 24.050 -17.052 -5.851 666 HB2 ASP 86 HB2 ASP 86 24.816 -15.695 -7.782 667 HB3 ASP 86 HB3 ASP 86 23.828 -14.339 -7.242 668 H LYS 87 H LYS 87 23.822 -16.801 -3.723 669 HA LYS 87 HA LYS 87 22.000 -14.789 -2.575 670 HB2 LYS 87 HB2 LYS 87 23.220 -17.284 -1.316 671 HB3 LYS 87 HB3 LYS 87 22.101 -16.187 -0.511 672 HG2 LYS 87 HG2 LYS 87 21.470 -17.835 -2.979 673 HG3 LYS 87 HG3 LYS 87 20.985 -18.238 -1.330 674 HD2 LYS 87 HD2 LYS 87 19.587 -16.215 -1.216 675 HD3 LYS 87 HD3 LYS 87 20.132 -15.717 -2.821 676 HE2 LYS 87 HE2 LYS 87 17.879 -16.728 -2.875 677 HE3 LYS 87 HE3 LYS 87 19.032 -17.661 -3.827 678 HZ1 LYS 87 HZ1 LYS 87 19.205 -19.230 -1.998 679 HZ2 LYS 87 HZ2 LYS 87 17.605 -19.083 -2.509 680 HZ3 LYS 87 HZ3 LYS 87 18.105 -18.329 -1.084 681 H GLY 88 H GLY 88 22.713 -13.407 -0.952 682 HA2 GLY 88 HA2 GLY 88 25.329 -13.323 0.163 683 HA3 GLY 88 HA3 GLY 88 25.207 -12.221 -1.210 684 H LYS 89 H LYS 89 25.528 -10.422 0.159 685 HA LYS 89 HA LYS 89 25.183 -8.796 1.679 686 HB2 LYS 89 HB2 LYS 89 22.264 -9.412 1.078 687 HB3 LYS 89 HB3 LYS 89 22.766 -8.072 2.097 688 HG2 LYS 89 HG2 LYS 89 22.352 -7.089 -0.007 689 HG3 LYS 89 HG3 LYS 89 24.110 -7.219 0.074 690 HD2 LYS 89 HD2 LYS 89 23.274 -7.859 -2.158 691 HD3 LYS 89 HD3 LYS 89 24.028 -9.239 -1.353 692 HE2 LYS 89 HE2 LYS 89 21.803 -10.124 -0.757 693 HE3 LYS 89 HE3 LYS 89 21.037 -8.714 -1.492 694 HZ1 LYS 89 HZ1 LYS 89 21.955 -9.368 -3.627 695 HZ2 LYS 89 HZ2 LYS 89 21.006 -10.608 -2.988 696 HZ3 LYS 89 HZ3 LYS 89 22.685 -10.719 -2.931 697 H ILE 90 H ILE 90 26.129 -9.664 3.441 698 HA ILE 90 HA ILE 90 24.787 -11.454 5.253 699 HB ILE 90 HB ILE 90 26.843 -11.021 6.729 700 HG12 ILE 90 HG12 ILE 90 27.765 -9.410 4.295 701 HG13 ILE 90 HG13 ILE 90 27.446 -8.761 5.897 702 HG21 ILE 90 HG21 ILE 90 27.380 -12.013 3.895 703 HG22 ILE 90 HG22 ILE 90 26.710 -12.976 5.214 704 HG23 ILE 90 HG23 ILE 90 28.363 -12.367 5.320 705 HD11 ILE 90 HD11 ILE 90 29.674 -10.645 5.134 706 HD12 ILE 90 HD12 ILE 90 29.338 -10.084 6.775 707 HD13 ILE 90 HD13 ILE 90 29.811 -8.931 5.527 708 H PHE 91 H PHE 91 22.921 -9.939 5.291 709 HA PHE 91 HA PHE 91 23.067 -7.883 7.415 710 HB2 PHE 91 HB2 PHE 91 22.296 -7.103 5.151 711 HB3 PHE 91 HB3 PHE 91 20.979 -8.270 5.202 712 HD1 PHE 91 HD1 PHE 91 22.384 -5.307 7.032 713 HD2 PHE 91 HD2 PHE 91 18.887 -7.642 6.214 714 HE1 PHE 91 HE1 PHE 91 20.994 -3.659 8.210 715 HE2 PHE 91 HE2 PHE 91 17.509 -5.976 7.394 716 HZ PHE 91 HZ PHE 91 18.558 -3.985 8.392 717 H GLN 92 H GLN 92 21.641 -8.061 9.103 718 HA GLN 92 HA GLN 92 19.519 -9.999 9.241 719 HB2 GLN 92 HB2 GLN 92 20.463 -11.350 11.100 720 HB3 GLN 92 HB3 GLN 92 21.419 -11.519 9.636 721 HG2 GLN 92 HG2 GLN 92 23.054 -9.854 10.596 722 HG3 GLN 92 HG3 GLN 92 22.130 -9.908 12.102 723 HE21 GLN 92 HE21 GLN 92 23.858 -10.792 13.294 724 HE22 GLN 92 HE22 GLN 92 24.418 -12.407 13.066 725 H LYS 93 H LYS 93 18.289 -9.787 11.208 726 HA LYS 93 HA LYS 93 18.160 -7.080 12.149 727 HB2 LYS 93 HB2 LYS 93 16.124 -8.444 11.676 728 HB3 LYS 93 HB3 LYS 93 16.536 -9.505 13.020 729 HG2 LYS 93 HG2 LYS 93 16.313 -7.580 14.581 730 HG3 LYS 93 HG3 LYS 93 15.831 -6.550 13.229 731 HD2 LYS 93 HD2 LYS 93 14.353 -9.067 14.089 732 HD3 LYS 93 HD3 LYS 93 13.899 -7.437 14.582 733 HE2 LYS 93 HE2 LYS 93 13.428 -6.832 12.244 734 HE3 LYS 93 HE3 LYS 93 13.986 -8.417 11.701 735 HZ1 LYS 93 HZ1 LYS 93 12.157 -9.467 12.810 736 HZ2 LYS 93 HZ2 LYS 93 11.539 -8.211 11.868 737 HZ3 LYS 93 HZ3 LYS 93 11.678 -8.012 13.534 738 H GLU 94 H GLU 94 19.921 -6.634 13.354 739 HA GLU 94 HA GLU 94 20.843 -8.195 15.622 740 HB2 GLU 94 HB2 GLU 94 21.589 -5.338 14.817 741 HB3 GLU 94 HB3 GLU 94 22.482 -6.373 15.931 742 HG2 GLU 94 HG2 GLU 94 23.120 -7.869 14.142 743 HG3 GLU 94 HG3 GLU 94 22.080 -7.024 12.993 744 H GLY 95 H GLY 95 19.497 -8.262 17.357 745 HA2 GLY 95 HA2 GLY 95 17.443 -6.385 17.880 746 HA3 GLY 95 HA3 GLY 95 17.962 -7.666 18.962 747 H GLU 96 H GLU 96 20.690 -6.745 19.176 748 HA GLU 96 HA GLU 96 20.466 -4.237 20.696 749 HB2 GLU 96 HB2 GLU 96 21.356 -6.916 21.894 750 HB3 GLU 96 HB3 GLU 96 21.575 -5.359 22.686 751 HG2 GLU 96 HG2 GLU 96 19.169 -5.057 22.875 752 HG3 GLU 96 HG3 GLU 96 18.875 -6.518 21.938 753 H SER 97 H SER 97 21.757 -3.819 18.631 754 HA SER 97 HA SER 97 24.616 -4.342 18.987 755 HB2 SER 97 HB2 SER 97 24.786 -2.927 16.864 756 HB3 SER 97 HB3 SER 97 23.841 -4.405 16.683 757 HG SER 97 HG SER 97 22.866 -1.768 17.031 758 H ILE 98 H ILE 98 25.362 -3.226 20.718 759 HA ILE 98 HA ILE 98 24.134 -1.030 21.904 760 HB ILE 98 HB ILE 98 25.537 -2.511 23.217 761 HG12 ILE 98 HG12 ILE 98 26.634 0.335 23.231 762 HG13 ILE 98 HG13 ILE 98 25.208 -0.228 24.091 763 HG21 ILE 98 HG21 ILE 98 27.989 -2.569 23.120 764 HG22 ILE 98 HG22 ILE 98 27.976 -1.436 21.767 765 HG23 ILE 98 HG23 ILE 98 27.291 -3.049 21.569 766 HD11 ILE 98 HD11 ILE 98 28.067 -1.020 24.642 767 HD12 ILE 98 HD12 ILE 98 26.654 -1.680 25.470 768 HD13 ILE 98 HD13 ILE 98 27.041 0.032 25.616 769 H LEU 99 H LEU 99 23.858 0.867 20.928 770 HA LEU 99 HA LEU 99 25.694 2.099 19.109 771 HB2 LEU 99 HB2 LEU 99 23.228 2.427 18.992 772 HB3 LEU 99 HB3 LEU 99 23.259 3.238 20.547 773 HG LEU 99 HG LEU 99 24.625 5.076 19.551 774 HD11 LEU 99 HD11 LEU 99 24.222 3.657 16.910 775 HD12 LEU 99 HD12 LEU 99 25.753 3.854 17.770 776 HD13 LEU 99 HD13 LEU 99 24.913 5.266 17.134 777 HD21 LEU 99 HD21 LEU 99 22.186 5.289 19.678 778 HD22 LEU 99 HD22 LEU 99 22.028 4.554 18.080 779 HD23 LEU 99 HD23 LEU 99 22.825 6.119 18.261 780 H GLU 100 H GLU 100 27.601 2.192 20.239 781 HA GLU 100 HA GLU 100 28.066 4.460 21.963 782 HB2 GLU 100 HB2 GLU 100 27.296 2.498 23.480 783 HB3 GLU 100 HB3 GLU 100 28.799 1.701 23.056 784 HG2 GLU 100 HG2 GLU 100 28.594 4.387 24.453 785 HG3 GLU 100 HG3 GLU 100 28.825 2.851 25.275
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